A0A096NQC6_PAPAN Loading...

Tumor necrosis factor alpha-induced protein 3

AlphaFold DB (A0A2K5NJ32), UniProt , Accession A0A096NQC6, Species PAPAN (Papio anubis, Olive baboon), Gene TNFAIP3, Length 790 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
1M33.1Very low74.4Confident241 Ų24181.2 Ų81.2100%1.18743%0.434SS*.  0114.70-72.4-167.3-87.200107.1E3M1-E3 PolarHBondContact O-N 3.46Å
2A37.2Very low76Confident104 Ų10480 Ų8086%0.8643%0.427SS*.  trans-68.9116.9-176.400000109.9Q4A2-Q4 PolarHBondContact O-N 3.43Å
3E51.1Low77.5Confident161 Ų16176.4 Ų76.475%0.75241%0.412SS*.  trans-54.5134.4170.8-70.3-178.5151.200109.2M1 V5M1-E3 PolarHBondContact O-N 3.46Å; E3-V5 WeakPolarHBondContact O-CG2 3.39Å; E3-V5 PolarHBondContact O-N 3.23Å
4Q60.3Low78.8Confident138 Ų13874.4 Ų74.465%0.64540%0.401SS*.  trans-6995177.7-79.5173.9-19.100109.6A2A2-Q4 PolarHBondContact O-N 3.43Å
5V82.4Confident79.8Confident81 Ų8175 Ų7549%0.49140%0.402SS..  trans-72.8-32.2-176.8-175.50000112.6E3 E352E3-V5 WeakPolarHBondContact O-CG2 3.39Å; E3-V5 PolarHBondContact O-N 3.23Å; V5-E352 HydrophobicContact CG1-CB 4.1Å; V5-E352 VanDerWaalsContact CG1-CD 3.49Å; V5-E352 HydrophobicContact CG1-CG 3.71Å; V5-E352 WeakPolarHBondContact CG1-OE2 3.34Å
6L92.3Very high80.7Confident6 Ų681.4 Ų81.43%0.03142%0.419CS..SBendtrans-98.7138.9-177.2-66.6177.5000112.6Q8 F60 I63 I64 A67 L348 V349 E352L6-Q8 PolarHBondContact O-NE2 2.98Å; L6-F60 HydrophobicContact CD1-CZ 4.47Å; L6-I63 HydrophobicContact CD1-CG2 4.19Å; L6-I64 HydrophobicContact CD1-CB 4.45Å; L6-I64 HydrophobicContact CD1-CG1 3.73Å; L6-A67 HydrophobicContact CB-CB 4.15Å; L6-L348 HydrophobicContact CD2-CG 4.4Å; L6-V349 HydrophobicContact CD1-CG2 4.1Å; L6-V349 HydrophobicContact CD2-CG2 3.99Å; L6-E352 HydrophobicContact CD2-CB 4.13Å; L6-E352 HydrophobicContact CD2-CG 4.04Å
7P93.8Very high81.7Confident30 Ų3078.3 Ų78.320%0.19540%0.401CS..  trans-60149.9176.1-19.930.4000112.8A9 L12 Y345 L348P7-A9 VanDerWaalsContact C-N 3.28Å; P7-A9 PolarHBondContact O-N 3.25Å; P7-L12 HydrophobicContact CB-CB 3.62Å; P7-L12 HydrophobicContact CB-CD1 4.19Å; P7-L12 HydrophobicContact CG-CB 4.47Å; P7-Y345 HydrophobicContact CB-CE2 4.12Å; P7-Y345 HydrophobicContact CG-CE2 4.31Å; P7-Y345 PolarHBondContact O-OH 3Å; P7-L348 VanDerWaalsContact CD-CD2 3.49Å; P7-L348 HydrophobicContact CG-CD2 3.65Å
8Q92.9Very high82.5Confident58 Ų5874.2 Ų74.227%0.27138%0.381SS..SBendtrans-83.70.7-175-61.2-60.7-59.600114.5L6 A67L6-Q8 PolarHBondContact O-NE2 2.98Å; Q8-A67 CarbonylContact C-O 3.14Å; Q8-A67 VanDerWaalsContact O-O 3.12Å; Q8-A67 PolarHBondContact OE1-O 3.16Å
9A92.4Very high83.2Confident11 Ų1173 Ų739%0.09138%0.377CS..SBendtrans-151.7151.7179.100000111.2P7 Y11 L12P7-A9 VanDerWaalsContact C-N 3.28Å; P7-A9 PolarHBondContact O-N 3.25Å; A9-Y11 VanDerWaalsContact C-N 3.34Å; A9-Y11 HydrophobicContact CB-CD1 3.58Å; A9-Y11 HydrophobicContact CB-CE1 3.28Å; A9-Y11 PolarHBondContact O-N 3.18Å; A9-L12 HydrophobicContact CB-CD1 4.22Å; A9-L12 HydrophobicContact CB-CG 4.33Å; A9-L12 PolarHBondContact O-N 3.47Å
10L92.3Very high83.8Confident3 Ų374.9 Ų74.92%0.01638%0.382CS..G310 helixtrans-58.3-44.1-177.6-67.8175000112.4L12 S13 L48 M50 L68 L95 V342 Y345L10-L12 PolarHBondContact O-N 2.84Å; L10-L12 VanDerWaalsContact O-N 3.16Å; L10-S13 WeakPolarHBondContact O-CB 3.37Å; L10-S13 PolarHBondContact O-N 3.38Å; L10-S13 VanDerWaalsContact O-N 3.09Å; L10-S13 PolarHBondContact O-OG 3.05Å; L10-L48 HydrophobicContact CD1-CD1 3.92Å; L10-L48 HydrophobicContact CD1-CD2 4.3Å; L10-M50 HydrophobicContact CD2-SD 4.47Å; L10-L68 HydrophobicContact CD2-CD1 3.88Å; L10-L68 HydrophobicContact CD2-CD2 4.19Å; L10-L68 HydrophobicContact CG-CD2 4.33Å; L10-L95 HydrophobicContact CD1-CD1 3.94Å; L10-V342 HydrophobicContact CD1-CG2 4.17Å; L10-Y345 HydrophobicContact CD2-CD1 4.42Å; L10-Y345 HydrophobicContact CD2-CD2 4.01Å; L10-Y345 HydrophobicContact CD2-CG 3.87Å
11Y91.2Very high84.5Confident60 Ų6071.3 Ų71.324%0.23536%0.364CS..G310 helixtrans-64.9-18.8-176.872.4-94000114.4A9 S13 N14 M15A9-Y11 VanDerWaalsContact C-N 3.34Å; A9-Y11 HydrophobicContact CB-CD1 3.58Å; A9-Y11 HydrophobicContact CB-CE1 3.28Å; A9-Y11 PolarHBondContact O-N 3.18Å; Y11-S13 VanDerWaalsContact C-N 3.27Å; Y11-S13 PolarHBondContact O-N 3.45Å; Y11-N14 CarbonylContact O-C 3.58Å; Y11-N14 PolarHBondContact O-N 2.9Å; Y11-M15 PolarHBondContact O-N 2.91Å
12L93.7Very high87.5Confident67 Ų6762.6 Ų62.635%0.35132%0.318SS..G310 helixtrans-75.9-14.8176.6-65.6174.2000112.8P7 A9 L10 N14 M15P7-L12 HydrophobicContact CB-CB 3.62Å; P7-L12 HydrophobicContact CB-CD1 4.19Å; P7-L12 HydrophobicContact CG-CB 4.47Å; A9-L12 HydrophobicContact CB-CD1 4.22Å; A9-L12 HydrophobicContact CB-CG 4.33Å; A9-L12 PolarHBondContact O-N 3.47Å; L10-L12 PolarHBondContact O-N 2.84Å; L10-L12 VanDerWaalsContact O-N 3.16Å; L12-N14 VanDerWaalsContact C-N 3.3Å; L12-M15 HydrophobicContact CD2-SD 4.48Å
13S94.4Very high90.3Very high33 Ų3363.3 Ų63.323%0.23130%0.304CS..G310 helixtrans-65.6-34.6172.262.40000112.2L10 Y11L10-S13 WeakPolarHBondContact O-CB 3.37Å; L10-S13 PolarHBondContact O-N 3.38Å; L10-S13 VanDerWaalsContact O-N 3.09Å; L10-S13 PolarHBondContact O-OG 3.05Å; Y11-S13 VanDerWaalsContact C-N 3.27Å; Y11-S13 PolarHBondContact O-N 3.45Å
14N95.8Very high92.5Very high48 Ų4860.4 Ų60.426%0.25729%0.286SS..  trans-152.784.8-179.5-170.8-17.8000111.1Y11 L12 R16 K17 A18 L341 D344Y11-N14 CarbonylContact O-C 3.58Å; Y11-N14 PolarHBondContact O-N 2.9Å; L12-N14 VanDerWaalsContact C-N 3.3Å; N14-R16 PolarHBondContact O-N 3.36Å; N14-R16 PolarHBondContact OD1-N 3Å; N14-K17 HydrophobicContact CB-CB 4Å; N14-K17 VanDerWaalsContact CG-CB 3.43Å; N14-K17 PolarHBondContact O-N 3.1Å; N14-K17 PolarHBondContact OD1-N 2.84Å; N14-A18 PolarHBondContact O-N 3.25Å; N14-L341 HydrophobicContact CB-CD2 4.05Å; N14-D344 HydrophobicContact CB-CB 4.21Å; N14-D344 WeakPolarHBondContact CB-OD2 3.34Å; N14-D344 PolarHBondContact ND2-OD2 3.07Å
15M94.9Very high94.3Very high84 Ų8454.1 Ų54.141%0.41426%0.257SS..Hα-helixtrans-61.7-31.5-178.2-66.2-170.9-6900113.1Y11 L12 A18 V19Y11-M15 PolarHBondContact O-N 2.91Å; L12-M15 HydrophobicContact CD2-SD 4.48Å; M15-A18 PolarHBondContact O-N 3.04Å; M15-V19 VanDerWaalsContact O-CG2 3.29Å; M15-V19 WeakPolarHBondContact O-CG2 3.41Å; M15-V19 PolarHBondContact O-N 2.93Å
16R94.4Very high95Very high178 Ų17853.2 Ų53.267%0.67225%0.252SS*.Hα-helixtrans-66.4-43.4177.2-173.9178-178.3179.51.4111.2N14 A18 V19 K20N14-R16 PolarHBondContact O-N 3.36Å; N14-R16 PolarHBondContact OD1-N 3Å; R16-A18 VanDerWaalsContact C-N 3.35Å; R16-V19 PolarHBondContact O-N 2.86Å; R16-K20 PolarHBondContact O-N 3.48Å
17K96.3Very high95.2Very high28 Ų2859.5 Ų59.512%0.12228%0.282CS..Hα-helixtrans-64.4-41.4173.5-175.4179.1-72.31760110.8N14 V19 K20 I21 K337 E338 N340 L341 D344N14-K17 HydrophobicContact CB-CB 4Å; N14-K17 VanDerWaalsContact CG-CB 3.43Å; N14-K17 PolarHBondContact O-N 3.1Å; N14-K17 PolarHBondContact OD1-N 2.84Å; K17-V19 PolarHBondContact O-N 3.27Å; K17-K20 WeakPolarHBondContact O-CB 3.44Å; K17-K20 PolarHBondContact O-N 2.95Å; K17-I21 HydrophobicContact CG-CD1 4.31Å; K17-I21 VanDerWaalsContact O-CG1 3.3Å; K17-I21 WeakPolarHBondContact O-CG1 3.49Å; K17-I21 PolarHBondContact O-N 3.44Å; K17-K337 PolarHBondContact NZ-O 2.88Å; K17-K337 VanDerWaalsContact NZ-O 3.1Å; K17-E338 WeakPolarHBondContact CG-O 3.36Å; K17-N340 PolarHBondContact NZ-O 3.36Å; K17-N340 VanDerWaalsContact NZ-O 3.07Å; K17-L341 HydrophobicContact CB-CD2 4Å; K17-L341 HydrophobicContact CD-CD2 3.99Å; K17-L341 HydrophobicContact CD-CG 4.32Å; K17-L341 HydrophobicContact CG-CD2 4.05Å; K17-L341 HydrophobicContact CG-CG 4.48Å; K17-D344 WeakPolarHBondContact CD-OD2 3.49Å; K17-D344 WeakPolarHBondContact CE-OD2 3.45Å; K17-D344 IonicContact NZ-OD1 3.71Å; K17-D344 PolarHBondContact NZ-OD1 3.41Å; K17-D344 IonicContact NZ-OD2 3.85Å; K17-D344 PolarHBondContact NZ-OD2 3.24Å
18A96.1Very high95.4Very high4 Ų458.6 Ų58.63%0.03328%0.275CS..Hα-helixtrans-61.1-42.1175.900000113.2N14 M15 R16 I21 R22 V115 L341N14-A18 PolarHBondContact O-N 3.25Å; M15-A18 PolarHBondContact O-N 3.04Å; R16-A18 VanDerWaalsContact C-N 3.35Å; A18-I21 PolarHBondContact O-N 3.15Å; A18-R22 WeakPolarHBondContact O-CG 3.39Å; A18-R22 PolarHBondContact O-N 3.38Å; A18-R22 VanDerWaalsContact O-N 3.11Å; A18-V115 HydrophobicContact CB-CG1 3.81Å; A18-L341 HydrophobicContact CB-CD1 4.21Å; A18-L341 HydrophobicContact CB-CD2 4.42Å
19V95.8Very high95.6Very high52 Ų5257.2 Ų57.232%0.31527%0.27SS..Hα-helixtrans-60.8-48.2173.31700000110.7M15 R16 K17 I21 R22 E23M15-V19 VanDerWaalsContact O-CG2 3.29Å; M15-V19 WeakPolarHBondContact O-CG2 3.41Å; M15-V19 PolarHBondContact O-N 2.93Å; R16-V19 PolarHBondContact O-N 2.86Å; K17-V19 PolarHBondContact O-N 3.27Å; V19-I21 VanDerWaalsContact C-N 3.25Å; V19-I21 PolarHBondContact O-N 3.44Å; V19-R22 PolarHBondContact O-N 3.46Å; V19-E23 HydrophobicContact CG1-CG 4.14Å; V19-E23 WeakPolarHBondContact CG1-OE1 3.43Å; V19-E23 WeakPolarHBondContact O-CG 3.18Å; V19-E23 PolarHBondContact O-N 3.08Å
20K96.2Very high95.9Very high110 Ų11061.5 Ų61.548%0.47829%0.286SS..Hα-helixtrans-56.3-39.3177.8-176.8-177.1179.4-175.70112.7R16 K17 R24R16-K20 PolarHBondContact O-N 3.48Å; K17-K20 WeakPolarHBondContact O-CB 3.44Å; K17-K20 PolarHBondContact O-N 2.95Å; K20-R24 PolarHBondContact O-N 3.3Å
21I97.4Very high96Very high1 Ų167.2 Ų67.21%0.00531%0.311CS..Hα-helixtrans-62.7-50.4175.4-66.9166.2000110K17 A18 V19 E23 R24 T25 M43 W113 V115 I339 L341K17-I21 HydrophobicContact CG-CD1 4.31Å; K17-I21 VanDerWaalsContact O-CG1 3.3Å; K17-I21 WeakPolarHBondContact O-CG1 3.49Å; K17-I21 PolarHBondContact O-N 3.44Å; A18-I21 PolarHBondContact O-N 3.15Å; V19-I21 VanDerWaalsContact C-N 3.25Å; V19-I21 PolarHBondContact O-N 3.44Å; I21-E23 VanDerWaalsContact C-N 3.34Å; I21-E23 PolarHBondContact O-N 2.94Å; I21-R24 PolarHBondContact O-N 2.8Å; I21-T25 PolarHBondContact O-N 3.28Å; I21-T25 VanDerWaalsContact O-N 3.15Å; I21-T25 PolarHBondContact O-OG1 3.07Å; I21-T25 VanDerWaalsContact O-OG1 3.04Å; I21-M43 HydrophobicContact CG2-CE 4.43Å; I21-W113 HydrophobicContact CG2-CB 3.81Å; I21-W113 HydrophobicContact CG2-CG 4.4Å; I21-V115 HydrophobicContact CB-CG1 4.25Å; I21-V115 HydrophobicContact CB-CG2 4.47Å; I21-V115 HydrophobicContact CD1-CG1 4.07Å; I21-V115 HydrophobicContact CG2-CG1 4.19Å; I21-V115 HydrophobicContact CG2-CG2 3.66Å; I21-I339 HydrophobicContact CD1-CB 4.06Å; I21-I339 VanDerWaalsContact CD1-O 3.26Å; I21-I339 WeakPolarHBondContact CD1-O 3.38Å; I21-I339 HydrophobicContact CG1-CB 3.76Å; I21-I339 HydrophobicContact CG1-CG2 3.82Å; I21-L341 HydrophobicContact CD1-CD1 3.79Å; I21-L341 HydrophobicContact CD1-CG 4.02Å
22R97.3Very high96.1Very high57 Ų5765.1 Ų65.122%0.21531%0.305CS..Hα-helixtrans-65.4-33.4-178.1-67.2-175-63.7150.59.5113.5A18 V19 P26 V115 T118 D119A18-R22 WeakPolarHBondContact O-CG 3.39Å; A18-R22 PolarHBondContact O-N 3.38Å; A18-R22 VanDerWaalsContact O-N 3.11Å; V19-R22 PolarHBondContact O-N 3.46Å; R22-P26 WeakPolarHBondContact O-CD 3.46Å; R22-V115 HydrophobicContact CG-CB 4.36Å; R22-V115 HydrophobicContact CG-CG2 4.01Å; R22-T118 WeakPolarHBondContact CD-OG1 3.37Å; R22-T118 PolarHBondContact NH1-OG1 3.46Å; R22-D119 VanDerWaalsContact CB-OD2 3.23Å; R22-D119 WeakPolarHBondContact CB-OD2 3.15Å; R22-D119 VanDerWaalsContact CD-OD2 3.28Å; R22-D119 WeakPolarHBondContact CD-OD2 3.42Å; R22-D119 IonicContact CZ-OD1 2.76Å; R22-D119 IonicContact CZ-OD2 2.66Å; R22-D119 IonicContact NE-OD2 3.81Å; R22-D119 PolarHBondContact NE-OD2 2.98Å; R22-D119 VanDerWaalsContact NH1-CG 3.3Å; R22-D119 IonicContact NH1-OD1 3.89Å; R22-D119 PolarHBondContact NH1-OD1 3.45Å; R22-D119 IonicContact NH1-OD2 2.87Å; R22-D119 PolarHBondContact NH1-OD2 2.97Å
23E96.1Very high96Very high119 Ų11969.3 Ų69.356%0.55633%0.333SS*.Hα-helixtrans-67.6-34.6174-73.2174.6166.200112.2V19 I21 P26V19-E23 HydrophobicContact CG1-CG 4.14Å; V19-E23 WeakPolarHBondContact CG1-OE1 3.43Å; V19-E23 WeakPolarHBondContact O-CG 3.18Å; V19-E23 PolarHBondContact O-N 3.08Å; I21-E23 VanDerWaalsContact C-N 3.34Å; I21-E23 PolarHBondContact O-N 2.94Å; E23-P26 VanDerWaalsContact O-CD 3.3Å; E23-P26 WeakPolarHBondContact O-CD 3.41Å; E23-P26 WeakPolarHBondContact O-CG 3.43Å
24R97.1Very high95.8Very high101 Ų10173 Ų7338%0.38135%0.35SS..Hα-helixtrans-74.4-30.8177.8-166.3179.5179.4177.80.9113K20 I21 E27 D28 M43K20-R24 PolarHBondContact O-N 3.3Å; I21-R24 PolarHBondContact O-N 2.8Å; R24-E27 PolarHBondContact O-N 2.89Å; R24-D28 PolarHBondContact O-N 3.21Å; R24-D28 VanDerWaalsContact O-N 3.09Å; R24-M43 HydrophobicContact CB-SD 4.11Å; R24-M43 HydrophobicContact CG-SD 3.79Å
25T96.9Very high95.3Very high5 Ų573.7 Ų73.73%0.03137%0.369CS..Hα-helixtrans-53.5-53.6-179-56.20000113.9I21 E27 D28 F40 W113 V121I21-T25 PolarHBondContact O-N 3.28Å; I21-T25 VanDerWaalsContact O-N 3.15Å; I21-T25 PolarHBondContact O-OG1 3.07Å; I21-T25 VanDerWaalsContact O-OG1 3.04Å; T25-E27 VanDerWaalsContact C-N 3.33Å; T25-E27 PolarHBondContact O-N 2.87Å; T25-D28 PolarHBondContact O-N 2.86Å; T25-F40 HydrophobicContact CG2-CE1 3.57Å; T25-F40 HydrophobicContact CG2-CZ 3.79Å; T25-F40 WeakPolarHBondContact O-CE1 3.44Å; T25-W113 HydrophobicContact CG2-CE3 4.3Å; T25-W113 HydrophobicContact CG2-CH2 3.48Å; T25-W113 VanDerWaalsContact CG2-CH2 3.48Å; T25-W113 HydrophobicContact CG2-CZ2 4.39Å; T25-W113 HydrophobicContact CG2-CZ3 3.42Å; T25-W113 VanDerWaalsContact CG2-CZ3 3.42Å; T25-V121 HydrophobicContact CG2-CB 4.2Å; T25-V121 HydrophobicContact CG2-CG1 3.72Å
26P97.4Very high95.2Very high62 Ų6273 Ų7340%0.40337%0.367SS..Hα-helixtrans-67.1-32.5179.627.3-35.4000112.8R22 E23 D28 I29 V121R22-P26 WeakPolarHBondContact O-CD 3.46Å; E23-P26 VanDerWaalsContact O-CD 3.3Å; E23-P26 WeakPolarHBondContact O-CD 3.41Å; E23-P26 WeakPolarHBondContact O-CG 3.43Å; P26-D28 PolarHBondContact O-N 2.73Å; P26-I29 PolarHBondContact O-N 3.44Å; P26-V121 HydrophobicContact CB-CG1 4.07Å; P26-V121 HydrophobicContact CB-CG2 4.45Å; P26-V121 HydrophobicContact CG-CG2 4.46Å
27E97Very high95.3Very high139 Ų13965.2 Ų65.265%0.6534%0.338SS*.Hα-helixtrans-66.7-26.4176.3-61.9179.4167.100112.5R24 T25 I29 K41R24-E27 PolarHBondContact O-N 2.89Å; T25-E27 VanDerWaalsContact C-N 3.33Å; T25-E27 PolarHBondContact O-N 2.87Å; E27-I29 VanDerWaalsContact C-N 3.33Å; E27-K41 WeakPolarHBondContact O-CE 3.46Å; E27-K41 PolarHBondContact O-NZ 2.98Å
28D98.1Very high95.1Very high11 Ų1164.8 Ų64.86%0.05934%0.336CS..THydrogen-bonded Turntrans-80.9-11.8177.7-164.167.8000113.3R24 T25 P26 F30 F40 K41 T42 M43R24-D28 PolarHBondContact O-N 3.21Å; R24-D28 VanDerWaalsContact O-N 3.09Å; T25-D28 PolarHBondContact O-N 2.86Å; P26-D28 PolarHBondContact O-N 2.73Å; D28-F30 PolarHBondContact O-N 3.03Å; D28-F40 HydrophobicContact CB-CD1 4.12Å; D28-F40 WeakPolarHBondContact OD2-CD1 3.5Å; D28-K41 WeakPolarHBondContact O-CE 3.49Å; D28-K41 WeakPolarHBondContact O-CG 3.41Å; D28-K41 PolarHBondContact O-N 2.95Å; D28-K41 PolarHBondContact OD2-N 2.71Å; D28-K41 VanDerWaalsContact OD2-N 3.14Å; D28-T42 PolarHBondContact OD1-N 3.21Å; D28-T42 VanDerWaalsContact OD1-N 3.15Å; D28-T42 PolarHBondContact OD1-OG1 3.41Å; D28-T42 PolarHBondContact OD2-N 2.82Å; D28-M43 HydrophobicContact CB-CB 4.35Å; D28-M43 HydrophobicContact CB-CG 3.83Å; D28-M43 HydrophobicContact CB-SD 3.85Å; D28-M43 WeakPolarHBondContact OD2-CB 3.47Å; D28-M43 PolarHBondContact OD2-N 3.22Å
29I97.9Very high95.2Very high29 Ų2965.3 Ų65.315%0.14934%0.338CS..EExtended strand (participates in β ladder)trans-76.3122.1175.4-60.6176.3000109.5P26 E27 K31 H38 F40 V121 A125P26-I29 PolarHBondContact O-N 3.44Å; E27-I29 VanDerWaalsContact C-N 3.33Å; I29-K31 HydrophobicContact CG2-CG 4.38Å; I29-H38 HydrophobicContact CG2-CB 4.24Å; I29-F40 HydrophobicContact CD1-CE1 4.32Å; I29-F40 HydrophobicContact CD1-CE2 4.26Å; I29-F40 HydrophobicContact CD1-CZ 3.84Å; I29-F40 HydrophobicContact CG1-CD1 4.16Å; I29-F40 HydrophobicContact CG1-CD2 4.43Å; I29-F40 HydrophobicContact CG1-CE1 3.72Å; I29-F40 HydrophobicContact CG1-CE2 4.03Å; I29-F40 HydrophobicContact CG1-CG 4.5Å; I29-F40 HydrophobicContact CG1-CZ 3.65Å; I29-V121 HydrophobicContact CD1-CG1 3.75Å; I29-A125 HydrophobicContact CD1-CB 4.13Å
30F97.4Very high95.3Very high100 Ų10062.9 Ų62.944%0.43932%0.323SS..EExtended strand (participates in β ladder)trans-95.5131.7169-178.1-117.9000109.9D28 P32 H38 H39 K41D28-F30 PolarHBondContact O-N 3.03Å; F30-P32 HydrophobicContact CD1-CG 3.77Å; F30-P32 HydrophobicContact CE1-CB 4.01Å; F30-P32 HydrophobicContact CE1-CG 3.7Å; F30-P32 WeakPolarHBondContact O-CD 3.38Å; F30-H38 WeakPolarHBondContact O-CA 3.49Å; F30-H39 AromaticContact CD1-CE1 3.59Å; F30-H39 AromaticContact CD1-NE2 3.77Å; F30-H39 PolarHBondContact N-O 3.49Å; F30-H39 PolarHBondContact O-N 3.49Å; F30-K41 HydrophobicContact CB-CD 4.14Å; F30-K41 HydrophobicContact CB-CG 3.81Å
31K95.1Very high95.4Very high123 Ų12362 Ų6254%0.53532%0.32SS..  trans-110.797.6175.9-63.2-165.2174.5-168.40109.8I29 H38I29-K31 HydrophobicContact CG2-CG 4.38Å; K31-H38 HydrophobicContact CG-CB 4.4Å
32P93.2Very high95.5Very high17 Ų1764.8 Ų64.811%0.1134%0.336CS..  trans-67.7146.3-180-18.131.6000112.2F30 N34 I36F30-P32 HydrophobicContact CD1-CG 3.77Å; F30-P32 HydrophobicContact CE1-CB 4.01Å; F30-P32 HydrophobicContact CE1-CG 3.7Å; F30-P32 WeakPolarHBondContact O-CD 3.38Å; P32-N34 WeakPolarHBondContact CB-OD1 3.49Å; P32-I36 HydrophobicContact CB-CB 4.01Å; P32-I36 WeakPolarHBondContact CD-O 3.34Å; P32-I36 HydrophobicContact CG-CB 3.9Å; P32-I36 HydrophobicContact CG-CG2 4.11Å
33T91.4Very high95.5Very high154 Ų15462.1 Ų62.195%0.94533%0.326SS*.SBendtrans-87.9-8.1174.653.50000113.5G35T33-G35 VanDerWaalsContact C-N 3.35Å
34N89.6Confident95.6Very high111 Ų11156.4 Ų56.459%0.59430%0.3SS*.SBendtrans-92.411.7-175.265-7.6000113.8P32 I36P32-N34 WeakPolarHBondContact CB-OD1 3.49Å; N34-I36 VanDerWaalsContact C-N 3.35Å; N34-I36 VanDerWaalsContact ND2-CD1 3.31Å; N34-I36 WeakPolarHBondContact ND2-CD1 3.2Å; N34-I36 WeakPolarHBondContact OD1-CB 3.48Å; N34-I36 WeakPolarHBondContact OD1-CG1 3.28Å; N34-I36 PolarHBondContact OD1-N 2.96Å
35G86.9Confident95.7Very high63 Ų6356 Ų5665%0.64930%0.298SS*.SBendtrans841179.300000115.3T33T33-G35 VanDerWaalsContact C-N 3.35Å
36I92.2Very high95.8Very high70 Ų7057.7 Ų57.736%0.35930%0.304SS..PPolyproline II helixtrans-68.1142.1170.2-63.8175.9000109.6P32 N34 W238P32-I36 HydrophobicContact CB-CB 4.01Å; P32-I36 WeakPolarHBondContact CD-O 3.34Å; P32-I36 HydrophobicContact CG-CB 3.9Å; P32-I36 HydrophobicContact CG-CG2 4.11Å; N34-I36 VanDerWaalsContact C-N 3.35Å; N34-I36 VanDerWaalsContact ND2-CD1 3.31Å; N34-I36 WeakPolarHBondContact ND2-CD1 3.2Å; N34-I36 WeakPolarHBondContact OD1-CB 3.48Å; N34-I36 WeakPolarHBondContact OD1-CG1 3.28Å; N34-I36 PolarHBondContact OD1-N 2.96Å; I36-W238 HydrophobicContact CG2-CH2 3.38Å; I36-W238 HydrophobicContact CG2-CZ2 3.48Å; I36-W238 VanDerWaalsContact CG2-CZ2 3.48Å; I36-W238 HydrophobicContact CG2-CZ3 4.28Å
37I95.4Very high95.9Very high14 Ų1454.8 Ų54.87%0.07229%0.285CS..PPolyproline II helixtrans-52.2140.8176.7-170.7169.8000112.3H39 T129 F138 V198 N201 I202 W238I37-H39 PolarHBondContact O-N 3.08Å; I37-H39 PolarHBondContact O-ND1 2.95Å; I37-T129 HydrophobicContact CD1-CG2 3.55Å; I37-T129 HydrophobicContact CG1-CG2 3.63Å; I37-F138 HydrophobicContact CD1-CE2 4.21Å; I37-F138 HydrophobicContact CD1-CZ 3.98Å; I37-V198 HydrophobicContact CD1-CG1 4.35Å; I37-N201 HydrophobicContact CD1-CB 3.96Å; I37-I202 HydrophobicContact CD1-CG1 3.72Å; I37-I202 HydrophobicContact CG1-CG1 4.08Å; I37-W238 HydrophobicContact CG2-CZ2 3.76Å
38H93.1Very high95.9Very high18 Ų1848.2 Ų48.28%0.08326%0.255CS..PPolyproline II helixtrans-58.1134.5171.2-57.4156.9000109.9I29 F30 K31 S128I29-H38 HydrophobicContact CG2-CB 4.24Å; F30-H38 WeakPolarHBondContact O-CA 3.49Å; K31-H38 HydrophobicContact CG-CB 4.4Å; H38-S128 PolarHBondContact CE1-OG 3.27Å; H38-S128 VanDerWaalsContact CE1-OG 3.27Å; H38-S128 PolarHBondContact ND1-OG 3.15Å
39H98Very high95.8Very high16 Ų1648 Ų487%0.07425%0.253CS..EExtended strand (participates in β ladder)trans-150.6159-174.460.4-87.5000113.2F30 I37 I202 R204 W238F30-H39 AromaticContact CD1-CE1 3.59Å; F30-H39 AromaticContact CD1-NE2 3.77Å; F30-H39 PolarHBondContact N-O 3.49Å; F30-H39 PolarHBondContact O-N 3.49Å; I37-H39 PolarHBondContact O-N 3.08Å; I37-H39 PolarHBondContact O-ND1 2.95Å; H39-I202 WeakPolarHBondContact CA-O 3.36Å; H39-I202 VanDerWaalsContact CB-O 3.28Å; H39-I202 WeakPolarHBondContact CB-O 3.29Å; H39-R204 HydrophobicContact CB-CG 4.31Å; H39-W238 HydrophobicContact CB-CZ2 4.07Å; H39-W238 AromaticContact CE1-CH2 3.43Å; H39-W238 VanDerWaalsContact CE1-CH2 3.43Å; H39-W238 WeakPolarHBondContact CE1-CH2 3.42Å; H39-W238 AromaticContact CE1-CZ2 3.85Å; H39-W238 AromaticContact CG-CH2 3.94Å; H39-W238 AromaticContact CG-CZ2 3.68Å; H39-W238 AromaticContact ND1-CH2 3.48Å; H39-W238 WeakPolarHBondContact ND1-CH2 3.47Å; H39-W238 AromaticContact ND1-CZ2 3.37Å; H39-W238 WeakPolarHBondContact ND1-CZ2 3.44Å; H39-W238 AromaticContact NE2-CH2 3.91Å
40F98.4Very high95.7Very high0 Ų046.8 Ų46.80%025%0.247CC..EExtended strand (participates in β ladder)trans-75.9136.2176.7-76.3-93.1000111.8T25 D28 I29 M43 H44 W113 L122 I202 L203 R204T25-F40 HydrophobicContact CG2-CE1 3.57Å; T25-F40 HydrophobicContact CG2-CZ 3.79Å; T25-F40 WeakPolarHBondContact O-CE1 3.44Å; D28-F40 HydrophobicContact CB-CD1 4.12Å; D28-F40 WeakPolarHBondContact OD2-CD1 3.5Å; I29-F40 HydrophobicContact CD1-CE1 4.32Å; I29-F40 HydrophobicContact CD1-CE2 4.26Å; I29-F40 HydrophobicContact CD1-CZ 3.84Å; I29-F40 HydrophobicContact CG1-CD1 4.16Å; I29-F40 HydrophobicContact CG1-CD2 4.43Å; I29-F40 HydrophobicContact CG1-CE1 3.72Å; I29-F40 HydrophobicContact CG1-CE2 4.03Å; I29-F40 HydrophobicContact CG1-CG 4.5Å; I29-F40 HydrophobicContact CG1-CZ 3.65Å; F40-M43 HydrophobicContact CD1-CB 4.19Å; F40-H44 HydrophobicContact CB-CB 3.94Å; F40-H44 PolarHBondContact O-CE1 3.06Å; F40-H44 PolarHBondContact O-ND1 2.71Å; F40-W113 HydrophobicContact CD1-CH2 4.43Å; F40-W113 HydrophobicContact CD1-CZ2 4.3Å; F40-W113 AromaticContact CE1-CH2 3.71Å; F40-W113 HydrophobicContact CE1-CH2 3.71Å; F40-W113 AromaticContact CE1-CZ2 3.99Å; F40-W113 HydrophobicContact CE1-CZ2 3.99Å; F40-W113 AromaticContact CZ-CH2 3.75Å; F40-W113 HydrophobicContact CZ-CH2 3.75Å; F40-W113 HydrophobicContact CZ-CZ2 4.38Å; F40-L122 HydrophobicContact CE2-CD2 3.52Å; F40-L122 HydrophobicContact CZ-CD2 3.57Å; F40-I202 HydrophobicContact CD2-CG2 4.16Å; F40-I202 HydrophobicContact CE2-CG2 4.1Å; F40-I202 PolarHBondContact N-O 3.09Å; F40-L203 HydrophobicContact CD2-CD2 3.68Å; F40-L203 HydrophobicContact CE2-CD2 3.84Å; F40-R204 PolarHBondContact O-NH2 3.35Å
41K98.1Very high95.6Very high93 Ų9342.6 Ų42.640%0.40423%0.229SC..SBendtrans-74.4-49.2177.1-69.1171-75.1-176.30111.4E27 D28 F30 H44 R45E27-K41 WeakPolarHBondContact O-CE 3.46Å; E27-K41 PolarHBondContact O-NZ 2.98Å; D28-K41 WeakPolarHBondContact O-CE 3.49Å; D28-K41 WeakPolarHBondContact O-CG 3.41Å; D28-K41 PolarHBondContact O-N 2.95Å; D28-K41 PolarHBondContact OD2-N 2.71Å; D28-K41 VanDerWaalsContact OD2-N 3.14Å; F30-K41 HydrophobicContact CB-CD 4.14Å; F30-K41 HydrophobicContact CB-CG 3.81Å; K41-H44 PolarHBondContact O-CE1 3.03Å; K41-R45 PolarHBondContact O-NH1 3Å
42T98.1Very high95.4Very high58 Ų5841.8 Ų41.836%0.35622%0.222SC..SBendtrans-134-38.4-169.865.40000114.3D28 H44 R45D28-T42 PolarHBondContact OD1-N 3.21Å; D28-T42 VanDerWaalsContact OD1-N 3.15Å; D28-T42 PolarHBondContact OD1-OG1 3.41Å; D28-T42 PolarHBondContact OD2-N 2.82Å; T42-H44 VanDerWaalsContact C-N 3.26Å; T42-H44 PolarHBondContact O-N 2.75Å; T42-R45 PolarHBondContact O-N 2.94Å
43M98.4Very high95.4Very high1 Ų141.6 Ų41.61%0.00522%0.221CC..G310 helixtrans-69.7-20.6-166.8-69.5-170.465.300113.9I21 R24 D28 F40 R45 Y46 W113I21-M43 HydrophobicContact CG2-CE 4.43Å; R24-M43 HydrophobicContact CB-SD 4.11Å; R24-M43 HydrophobicContact CG-SD 3.79Å; D28-M43 HydrophobicContact CB-CB 4.35Å; D28-M43 HydrophobicContact CB-CG 3.83Å; D28-M43 HydrophobicContact CB-SD 3.85Å; D28-M43 WeakPolarHBondContact OD2-CB 3.47Å; D28-M43 PolarHBondContact OD2-N 3.22Å; F40-M43 HydrophobicContact CD1-CB 4.19Å; M43-R45 PolarHBondContact O-N 3.41Å; M43-Y46 HydrophobicContact CB-CD2 4.23Å; M43-Y46 HydrophobicContact CB-CE2 4.4Å; M43-Y46 HydrophobicContact CG-CD2 4.37Å; M43-Y46 HydrophobicContact CG-CE2 4.1Å; M43-Y46 WeakPolarHBondContact O-CD2 3.47Å; M43-Y46 PolarHBondContact O-N 3.2Å; M43-W113 HydrophobicContact CB-CZ2 3.86Å; M43-W113 HydrophobicContact CE-CD2 4.09Å; M43-W113 HydrophobicContact CE-CG 4.21Å; M43-W113 HydrophobicContact CE-CZ2 4.44Å; M43-W113 PolarHBondContact O-NE1 2.95Å
44H98.6Very high95.3Very high0 Ų036.9 Ų36.90%019%0.194CC..G310 helixtrans-63.4-17.1175.363.7-80.6000114F40 K41 T42 L203 R205F40-H44 HydrophobicContact CB-CB 3.94Å; F40-H44 PolarHBondContact O-CE1 3.06Å; F40-H44 PolarHBondContact O-ND1 2.71Å; K41-H44 PolarHBondContact O-CE1 3.03Å; T42-H44 VanDerWaalsContact C-N 3.26Å; T42-H44 PolarHBondContact O-N 2.75Å; H44-L203 HydrophobicContact CB-CB 4.42Å; H44-L203 HydrophobicContact CB-CD2 4.45Å; H44-L203 WeakPolarHBondContact CB-O 3.12Å; H44-L203 PolarHBondContact CD2-O 3.29Å; H44-R205 WeakPolarHBondContact O-CD 3.35Å; H44-R205 PolarHBondContact O-NH1 3.06Å
45R98.7Very high95.4Very high93 Ų9335.4 Ų35.435%0.35118%0.183SC..G310 helixtrans-83.4-11.6179.4-58.6-170.8177.381.13.4113.8K41 T42 M43 Y244 N334K41-R45 PolarHBondContact O-NH1 3Å; T42-R45 PolarHBondContact O-N 2.94Å; M43-R45 PolarHBondContact O-N 3.41Å; R45-Y244 HydrophobicContact CB-CD2 4.03Å; R45-Y244 HydrophobicContact CB-CE1 4.41Å; R45-Y244 HydrophobicContact CB-CE2 3.96Å; R45-Y244 HydrophobicContact CB-CG 4.29Å; R45-Y244 HydrophobicContact CG-CD2 3.67Å; R45-Y244 HydrophobicContact CG-CE2 4.05Å; R45-Y244 HydrophobicContact CG-CG 4Å; R45-Y244 WeakPolarHBondContact O-CE1 3.22Å; R45-N334 PolarHBondContact O-ND2 2.91Å
46Y98.8Very high95.7Very high39 Ų3932.6 Ų32.615%0.15315%0.153CC..  trans-74.2144.5-178.9-68-54.8000112.3M43 M112 R205 N334 L335 P336 I339M43-Y46 HydrophobicContact CB-CD2 4.23Å; M43-Y46 HydrophobicContact CB-CE2 4.4Å; M43-Y46 HydrophobicContact CG-CD2 4.37Å; M43-Y46 HydrophobicContact CG-CE2 4.1Å; M43-Y46 WeakPolarHBondContact O-CD2 3.47Å; M43-Y46 PolarHBondContact O-N 3.2Å; Y46-M112 CarbonylContact C-O 3.58Å; Y46-M112 WeakPolarHBondContact CB-O 3.43Å; Y46-M112 WeakPolarHBondContact O-CA 3.37Å; Y46-R205 PolarHBondContact O-NH1 3.35Å; Y46-N334 VanDerWaalsContact CA-OD1 3.24Å; Y46-N334 WeakPolarHBondContact CA-OD1 3.44Å; Y46-L335 HydrophobicContact CD1-CD2 4.15Å; Y46-L335 HydrophobicContact CD2-CD2 4.39Å; Y46-L335 HydrophobicContact CG-CD2 3.87Å; Y46-P336 VanDerWaalsContact CE1-CD 3.45Å; Y46-P336 HydrophobicContact CE1-CG 4.04Å; Y46-I339 HydrophobicContact CD2-CD1 4.22Å; Y46-I339 HydrophobicContact CE2-CD1 3.83Å
47T98.7Very high95.8Very high1 Ų130.9 Ų30.91%0.00615%0.147CC..  trans-136.1130.4177.7-53.90000110Y111 R205 D331 N334T47-Y111 HydrophobicContact CG2-CE1 3.76Å; T47-R205 PolarHBondContact OG1-NH2 3.15Å; T47-D331 HydrophobicContact CG2-CB 3.98Å; T47-D331 VanDerWaalsContact OG1-CB 3.31Å; T47-D331 WeakPolarHBondContact OG1-CB 3.17Å; T47-D331 PolarHBondContact OG1-OD2 3.2Å; T47-N334 PolarHBondContact N-OD1 3.11Å
48L98.2Very high95.7Very high1 Ų135.1 Ų35.11%0.00518%0.175CC..  trans-89.9132.5174.1-172.8146.5000110.4L10 L95 Y111 V261 L335 V342L10-L48 HydrophobicContact CD1-CD1 3.92Å; L10-L48 HydrophobicContact CD1-CD2 4.3Å; L48-L95 HydrophobicContact CD2-CD1 4.21Å; L48-Y111 VanDerWaalsContact CB-O 3.26Å; L48-Y111 WeakPolarHBondContact CB-O 3.43Å; L48-Y111 PolarHBondContact N-O 3.49Å; L48-V261 HydrophobicContact CD2-CB 4.32Å; L48-V261 HydrophobicContact CD2-CG1 4.01Å; L48-V261 HydrophobicContact CD2-CG2 4.38Å; L48-L335 HydrophobicContact CB-CD1 4.02Å; L48-L335 HydrophobicContact CD1-CD1 4.3Å; L48-L335 HydrophobicContact CG-CD1 4.34Å; L48-V342 HydrophobicContact CD1-CG2 3.57Å; L48-V342 HydrophobicContact CD2-CG2 3.88Å; L48-V342 HydrophobicContact CG-CG2 3.6Å
49E95.7Very high95.7Very high7 Ų740.7 Ų40.73%0.03320%0.201CC..  trans-117.2140.6163.5-55.9-166.6114.100109.8T262 K264 R271 A333E49-T262 WeakPolarHBondContact CA-O 3.46Å; E49-T262 VanDerWaalsContact CG-OG1 3.29Å; E49-T262 WeakPolarHBondContact CG-OG1 3.37Å; E49-T262 PolarHBondContact OE1-OG1 3.36Å; E49-K264 HydrophobicContact CB-CG 3.91Å; E49-R271 IonicContact OE1-CZ 3.04Å; E49-R271 VanDerWaalsContact OE1-CZ 3.25Å; E49-R271 IonicContact OE1-NE 2.93Å; E49-R271 PolarHBondContact OE1-NE 2.89Å; E49-R271 IonicContact OE1-NH2 3.29Å; E49-R271 PolarHBondContact OE1-NH2 3.47Å; E49-R271 IonicContact OE2-CZ 2.76Å; E49-R271 IonicContact OE2-NH2 3.52Å; E49-R271 PolarHBondContact OE2-NH2 2.97Å; E49-A333 HydrophobicContact CB-CB 3.89Å; E49-A333 HydrophobicContact CG-CB 3.72Å; E49-A333 PolarHBondContact OE2-N 3.02Å; E49-A333 VanDerWaalsContact OE2-N 3.13Å
50M95.8Very high95.5Very high4 Ų440.2 Ų40.22%0.0220%0.199CC..BIsolated β-bridgetrans-77.7142.2179.4-175.860.4-174.500110.8L10 L68 V93 L95 V261 T262 L263 K264L10-M50 HydrophobicContact CD2-SD 4.47Å; M50-L68 HydrophobicContact CE-CD1 3.32Å; M50-L68 HydrophobicContact SD-CD1 4.33Å; M50-V93 HydrophobicContact CB-CG2 4.21Å; M50-V93 HydrophobicContact CG-CG2 4.35Å; M50-L95 HydrophobicContact SD-CD2 4.32Å; M50-V261 HydrophobicContact CB-CG2 3.84Å; M50-T262 PolarHBondContact N-O 3.02Å; M50-L263 HydrophobicContact CB-CD2 3.97Å; M50-L263 HydrophobicContact CG-CD2 3.88Å; M50-K264 PolarHBondContact O-N 2.81Å
51F94.5Very high95.3Very high11 Ų1143.8 Ų43.85%0.04821%0.212CC..PPolyproline II helixtrans-6515317759.6-100.7000112T53 F56 I64 L68 V342 Y345 F346 V349F51-T53 HydrophobicContact CD2-CG2 4.25Å; F51-T53 HydrophobicContact CE2-CG2 4.02Å; F51-F56 HydrophobicContact CE2-CE2 4.47Å; F51-I64 HydrophobicContact CE2-CG2 4.12Å; F51-I64 HydrophobicContact CZ-CG2 4.05Å; F51-L68 HydrophobicContact CE1-CD1 4.42Å; F51-L68 HydrophobicContact CZ-CD1 4.36Å; F51-V342 HydrophobicContact CB-CG1 4.17Å; F51-V342 HydrophobicContact CD1-CG1 3.68Å; F51-V342 HydrophobicContact CG-CG1 4.42Å; F51-Y345 AromaticContact CE1-CD1 3.64Å; F51-Y345 HydrophobicContact CE1-CD1 3.64Å; F51-Y345 HydrophobicContact CE1-CE1 4.32Å; F51-Y345 HydrophobicContact CE1-CG 4.46Å; F51-Y345 AromaticContact CZ-CD1 3.89Å; F51-Y345 HydrophobicContact CZ-CD1 3.89Å; F51-Y345 HydrophobicContact CZ-CE1 4.17Å; F51-F346 HydrophobicContact CB-CB 4.4Å; F51-F346 HydrophobicContact CB-CD2 3.75Å; F51-F346 HydrophobicContact CB-CE2 4.22Å; F51-F346 HydrophobicContact CB-CG 4.19Å; F51-F346 HydrophobicContact CD1-CB 3.91Å; F51-F346 HydrophobicContact CD1-CD2 4.03Å; F51-F346 HydrophobicContact CD1-CG 4.39Å; F51-F346 AromaticContact CD2-CD2 3.44Å; F51-F346 HydrophobicContact CD2-CD2 3.44Å; F51-F346 VanDerWaalsContact CD2-CD2 3.44Å; F51-F346 AromaticContact CD2-CE2 3.88Å; F51-F346 HydrophobicContact CD2-CE2 3.88Å; F51-F346 HydrophobicContact CD2-CG 4.49Å; F51-F346 HydrophobicContact CE1-CB 4.42Å; F51-F346 HydrophobicContact CE2-CD2 4.02Å; F51-F346 HydrophobicContact CG-CB 4.14Å; F51-F346 AromaticContact CG-CD2 3.47Å; F51-F346 HydrophobicContact CG-CD2 3.47Å; F51-F346 VanDerWaalsContact CG-CD2 3.47Å; F51-F346 HydrophobicContact CG-CE2 4.18Å; F51-F346 HydrophobicContact CG-CG 4.13Å; F51-V349 HydrophobicContact CE2-CG1 4.49Å; F51-V349 HydrophobicContact CE2-CG2 4.5Å; F51-V349 HydrophobicContact CZ-CG2 3.92Å
52R92.6Very high95.1Very high107 Ų10744 Ų4440%0.40422%0.215SC..PPolyproline II helixtrans-61.1138.7177.1-157179.4-164.8-148.7-5.1110.6C54 Q55 K264 D265R52-C54 VanDerWaalsContact CD-SG 3.59Å; R52-C54 PolarHBondContact NE-SG 2.84Å; R52-C54 PolarHBondContact NH2-SG 2.83Å; R52-Q55 PolarHBondContact O-NE2 3.39Å; R52-Q55 PolarHBondContact O-OE1 3.37Å; R52-K264 VanDerWaalsContact CB-O 3.29Å; R52-K264 WeakPolarHBondContact CB-O 3.36Å; R52-D265 IonicContact CZ-OD1 3.42Å; R52-D265 VanDerWaalsContact CZ-OD1 3.29Å; R52-D265 IonicContact NE-OD1 2.75Å; R52-D265 PolarHBondContact NE-OD1 3.42Å; R52-D265 IonicContact NH2-OD1 3.43Å; R52-D265 PolarHBondContact NH2-OD1 2.77Å
53T92.3Very high94.9Very high13 Ų1344.2 Ų44.28%0.0821%0.213CC..  trans-114.9-3.5176.765.80000114.3F51 Q55 F56 R61 I64 H65F51-T53 HydrophobicContact CD2-CG2 4.25Å; F51-T53 HydrophobicContact CE2-CG2 4.02Å; T53-Q55 VanDerWaalsContact C-N 3.3Å; T53-Q55 PolarHBondContact O-N 3.06Å; T53-F56 PolarHBondContact O-N 2.9Å; T53-R61 PolarHBondContact O-NE 2.94Å; T53-I64 HydrophobicContact CG2-CG2 4.2Å; T53-H65 PolarHBondContact OG1-NE2 2.92Å; T53-H65 VanDerWaalsContact OG1-NE2 3.11Å
54C89.7Confident94.8Very high55 Ų5544.2 Ų44.237%0.37221%0.213SC..THydrogen-bonded Turntrans-75.9-17.2-172.672.80000114R52 F56 R61R52-C54 VanDerWaalsContact CD-SG 3.59Å; R52-C54 PolarHBondContact NE-SG 2.84Å; R52-C54 PolarHBondContact NH2-SG 2.83Å; C54-F56 VanDerWaalsContact C-N 3.26Å; C54-F56 PolarHBondContact O-N 3.39Å; C54-R61 PolarHBondContact O-NH2 3.42Å
55Q91.3Very high94.6Very high80 Ų8046.3 Ų46.337%0.37422%0.223SC..THydrogen-bonded Turntrans-71.7-19.9174.769.1-84.327.300113.1R52 T53R52-Q55 PolarHBondContact O-NE2 3.39Å; R52-Q55 PolarHBondContact O-OE1 3.37Å; T53-Q55 VanDerWaalsContact C-N 3.3Å; T53-Q55 PolarHBondContact O-N 3.06Å
56F93.7Very high94.4Very high4 Ų447.8 Ų47.82%0.01823%0.232CC..SBendtrans-86.9147.4176.3-53.4-68.4000110.8F51 T53 C54 F60 R61 I64 F346 V349 Y353F51-F56 HydrophobicContact CE2-CE2 4.47Å; T53-F56 PolarHBondContact O-N 2.9Å; C54-F56 VanDerWaalsContact C-N 3.26Å; C54-F56 PolarHBondContact O-N 3.39Å; F56-F60 HydrophobicContact CB-CD1 4.13Å; F56-F60 HydrophobicContact CD1-CD1 4.09Å; F56-F60 HydrophobicContact CD1-CE1 4.34Å; F56-F60 HydrophobicContact CG-CD1 4.13Å; F56-R61 PolarHBondContact O-NH2 3.42Å; F56-I64 HydrophobicContact CD2-CD1 3.47Å; F56-I64 VanDerWaalsContact CD2-CD1 3.47Å; F56-I64 HydrophobicContact CE2-CD1 3.79Å; F56-I64 HydrophobicContact CG-CD1 3.99Å; F56-F346 HydrophobicContact CE2-CE2 4.2Å; F56-F346 AromaticContact CZ-CE2 3.91Å; F56-F346 HydrophobicContact CZ-CE2 3.91Å; F56-V349 HydrophobicContact CE1-CG1 4.05Å; F56-V349 HydrophobicContact CE2-CG1 3.87Å; F56-V349 HydrophobicContact CZ-CG1 3.54Å; F56-Y353 AromaticContact CD1-CD1 3.63Å; F56-Y353 HydrophobicContact CD1-CD1 3.63Å; F56-Y353 AromaticContact CD1-CD2 3.96Å; F56-Y353 HydrophobicContact CD1-CD2 3.96Å; F56-Y353 AromaticContact CD1-CE1 3.9Å; F56-Y353 HydrophobicContact CD1-CE1 3.9Å; F56-Y353 HydrophobicContact CD1-CE2 4.23Å; F56-Y353 AromaticContact CD1-CG 3.65Å; F56-Y353 HydrophobicContact CD1-CG 3.65Å; F56-Y353 AromaticContact CE1-CD1 3.89Å; F56-Y353 HydrophobicContact CE1-CD1 3.89Å; F56-Y353 AromaticContact CE1-CG 3.98Å; F56-Y353 HydrophobicContact CE1-CG 3.98Å
57C93.5Very high94.2Very high34 Ų3446 Ų4623%0.2323%0.226CC..  trans-60.2154.6175.369.50000111.4Q59 F60 R61C57-Q59 VanDerWaalsContact C-N 3.27Å; C57-Q59 PolarHBondContact O-N 3.16Å; C57-F60 PolarHBondContact O-N 3Å; C57-F60 VanDerWaalsContact O-N 3.15Å; C57-R61 WeakPolarHBondContact O-CB 3.34Å; C57-R61 PolarHBondContact O-N 2.93Å
58P94.4Very high94.2Very high102 Ų10246.2 Ų46.266%0.66223%0.226SC*.Hα-helixtrans-54.8-39.5-174-28.135.5000114.3R61 E62P58-R61 PolarHBondContact O-N 3.44Å; P58-E62 PolarHBondContact O-N 3.05Å; P58-E62 VanDerWaalsContact O-N 3.08Å
59Q93Very high94.1Very high136 Ų13646.9 Ų46.964%0.63623%0.23SC*.Hα-helixtrans-64.1-45.4179.7-68.6167-10.200112C57 E62 I63 W356C57-Q59 VanDerWaalsContact C-N 3.27Å; C57-Q59 PolarHBondContact O-N 3.16Å; Q59-E62 PolarHBondContact O-N 2.92Å; Q59-I63 PolarHBondContact O-N 3.4Å; Q59-W356 HydrophobicContact CB-CZ2 4.2Å
60F94Very high94.2Very high6 Ų647.7 Ų47.73%0.02623%0.234CC..Hα-helixtrans-75-33.7179.4-165.8-99.6000112.2L6 F56 C57 E62 I63 I64 V349 E352 Y353 W356L6-F60 HydrophobicContact CD1-CZ 4.47Å; F56-F60 HydrophobicContact CB-CD1 4.13Å; F56-F60 HydrophobicContact CD1-CD1 4.09Å; F56-F60 HydrophobicContact CD1-CE1 4.34Å; F56-F60 HydrophobicContact CG-CD1 4.13Å; C57-F60 PolarHBondContact O-N 3Å; C57-F60 VanDerWaalsContact O-N 3.15Å; F60-E62 VanDerWaalsContact C-N 3.25Å; F60-E62 PolarHBondContact O-N 3.48Å; F60-I63 HydrophobicContact CD2-CD1 4.07Å; F60-I63 WeakPolarHBondContact O-CB 3.44Å; F60-I63 PolarHBondContact O-N 2.88Å; F60-I64 HydrophobicContact CD1-CD1 3.8Å; F60-I64 HydrophobicContact CD1-CG1 4.15Å; F60-I64 HydrophobicContact CE1-CD1 3.85Å; F60-I64 HydrophobicContact CE1-CG1 4.06Å; F60-I64 PolarHBondContact O-N 3.27Å; F60-I64 VanDerWaalsContact O-N 3.09Å; F60-V349 HydrophobicContact CE1-CG1 3.87Å; F60-E352 HydrophobicContact CZ-CB 4.26Å; F60-Y353 HydrophobicContact CB-CD2 3.94Å; F60-Y353 HydrophobicContact CB-CE2 3.89Å; F60-Y353 AromaticContact CD1-CD2 3.39Å; F60-Y353 HydrophobicContact CD1-CD2 3.39Å; F60-Y353 HydrophobicContact CD1-CE2 4.09Å; F60-Y353 HydrophobicContact CD1-CG 4.09Å; F60-Y353 AromaticContact CD2-CD2 3.89Å; F60-Y353 HydrophobicContact CD2-CD2 3.89Å; F60-Y353 AromaticContact CE1-CD2 3.73Å; F60-Y353 HydrophobicContact CE1-CD2 3.73Å; F60-Y353 HydrophobicContact CE1-CG 4.03Å; F60-Y353 HydrophobicContact CE2-CD2 4.21Å; F60-Y353 AromaticContact CG-CD2 3.47Å; F60-Y353 HydrophobicContact CG-CD2 3.47Å; F60-Y353 VanDerWaalsContact CG-CD2 3.47Å; F60-Y353 AromaticContact CG-CE2 3.96Å; F60-Y353 HydrophobicContact CG-CE2 3.96Å; F60-Y353 HydrophobicContact CZ-CD2 4.14Å; F60-Y353 HydrophobicContact CZ-CG 4.44Å; F60-W356 HydrophobicContact CD2-CB 4.07Å; F60-W356 AromaticContact CD2-CD1 3.98Å; F60-W356 HydrophobicContact CD2-CD2 4.16Å; F60-W356 AromaticContact CD2-CG 3.79Å; F60-W356 HydrophobicContact CD2-CG 3.79Å; F60-W356 HydrophobicContact CE2-CB 3.99Å; F60-W356 HydrophobicContact CE2-CG 4.16Å
61R93.9Very high94.2Very high74 Ų7450.8 Ų50.828%0.27925%0.248SC..Hα-helixtrans-56.8-41.6172-172.7-177.3-53.6166.912.4111.6T53 C54 F56 C57 P58 I63 I64 H65T53-R61 PolarHBondContact O-NE 2.94Å; C54-R61 PolarHBondContact O-NH2 3.42Å; F56-R61 PolarHBondContact O-NH2 3.42Å; C57-R61 WeakPolarHBondContact O-CB 3.34Å; C57-R61 PolarHBondContact O-N 2.93Å; P58-R61 PolarHBondContact O-N 3.44Å; R61-I63 VanDerWaalsContact C-N 3.28Å; R61-I63 PolarHBondContact O-N 2.87Å; R61-I64 PolarHBondContact O-N 3.17Å; R61-H65 VanDerWaalsContact CG-CE1 3.5Å; R61-H65 WeakPolarHBondContact CG-CE1 3.44Å; R61-H65 WeakPolarHBondContact O-CB 3.4Å; R61-H65 PolarHBondContact O-CD2 3.02Å; R61-H65 VanDerWaalsContact O-CG 3.25Å; R61-H65 PolarHBondContact O-N 3Å
62E93.5Very high94.2Very high99 Ų9956.6 Ų56.646%0.46328%0.279SS..Hα-helixtrans-62.5-34.4176.5178.458.2-162.600112.4P58 Q59 F60 K66 K71P58-E62 PolarHBondContact O-N 3.05Å; P58-E62 VanDerWaalsContact O-N 3.08Å; Q59-E62 PolarHBondContact O-N 2.92Å; F60-E62 VanDerWaalsContact C-N 3.25Å; F60-E62 PolarHBondContact O-N 3.48Å; E62-K66 WeakPolarHBondContact O-CB 3.27Å; E62-K66 PolarHBondContact O-N 2.91Å; E62-K71 IonicContact OE1-NZ 4Å; E62-K71 PolarHBondContact OE1-NZ 3.13Å; E62-K71 IonicContact OE2-NZ 2.71Å; E62-K71 PolarHBondContact OE2-NZ 3.49Å
63I94.6Very high94.4Very high61 Ų6151.9 Ų51.931%0.31326%0.262SS..Hα-helixtrans-65.6-47.7173.9-58.4172.3000110.5L6 Q59 F60 R61 K66 A67L6-I63 HydrophobicContact CD1-CG2 4.19Å; Q59-I63 PolarHBondContact O-N 3.4Å; F60-I63 HydrophobicContact CD2-CD1 4.07Å; F60-I63 WeakPolarHBondContact O-CB 3.44Å; F60-I63 PolarHBondContact O-N 2.88Å; R61-I63 VanDerWaalsContact C-N 3.28Å; R61-I63 PolarHBondContact O-N 2.87Å; I63-K66 PolarHBondContact O-N 2.92Å; I63-A67 WeakPolarHBondContact O-CB 3.24Å; I63-A67 PolarHBondContact O-N 3.15Å
64I95.3Very high94.6Very high1 Ų152 Ų521%0.00526%0.261CS..Hα-helixtrans-60.3-48.5176.9-60.7166.5000110.2L6 F51 T53 F56 F60 R61 K66 A67 L68 V349L6-I64 HydrophobicContact CD1-CB 4.45Å; L6-I64 HydrophobicContact CD1-CG1 3.73Å; F51-I64 HydrophobicContact CE2-CG2 4.12Å; F51-I64 HydrophobicContact CZ-CG2 4.05Å; T53-I64 HydrophobicContact CG2-CG2 4.2Å; F56-I64 HydrophobicContact CD2-CD1 3.47Å; F56-I64 VanDerWaalsContact CD2-CD1 3.47Å; F56-I64 HydrophobicContact CE2-CD1 3.79Å; F56-I64 HydrophobicContact CG-CD1 3.99Å; F60-I64 HydrophobicContact CD1-CD1 3.8Å; F60-I64 HydrophobicContact CD1-CG1 4.15Å; F60-I64 HydrophobicContact CE1-CD1 3.85Å; F60-I64 HydrophobicContact CE1-CG1 4.06Å; F60-I64 PolarHBondContact O-N 3.27Å; F60-I64 VanDerWaalsContact O-N 3.09Å; R61-I64 PolarHBondContact O-N 3.17Å; I64-K66 VanDerWaalsContact C-N 3.35Å; I64-K66 PolarHBondContact O-N 3.07Å; I64-A67 WeakPolarHBondContact O-CB 3.49Å; I64-A67 PolarHBondContact O-N 3.18Å; I64-A67 VanDerWaalsContact O-N 3.13Å; I64-L68 PolarHBondContact O-N 3.39Å; I64-V349 HydrophobicContact CD1-CG1 3.56Å; I64-V349 HydrophobicContact CG1-CG1 4.07Å
65H94.8Very high94.9Very high44 Ų4452 Ų5220%0.20427%0.266CS..Hα-helixtrans-64-40.8-179.6-69.3-173.5000111.3T53 R61 A67 I69T53-H65 PolarHBondContact OG1-NE2 2.92Å; T53-H65 VanDerWaalsContact OG1-NE2 3.11Å; R61-H65 VanDerWaalsContact CG-CE1 3.5Å; R61-H65 WeakPolarHBondContact CG-CE1 3.44Å; R61-H65 WeakPolarHBondContact O-CB 3.4Å; R61-H65 PolarHBondContact O-CD2 3.02Å; R61-H65 VanDerWaalsContact O-CG 3.25Å; R61-H65 PolarHBondContact O-N 3Å; H65-A67 VanDerWaalsContact C-N 3.26Å; H65-A67 PolarHBondContact O-N 3.39Å; H65-I69 HydrophobicContact CB-CD1 4.07Å; H65-I69 WeakPolarHBondContact O-CA 3.13Å; H65-I69 WeakPolarHBondContact O-CB 3.33Å; H65-I69 PolarHBondContact O-N 3.37Å
66K94.6Very high95Very high125 Ų12549.4 Ų49.454%0.54326%0.257SS..Hα-helixtrans-65.2-30.8175-174176.5-178.7179.70112E62 I63 I64 K96E62-K66 WeakPolarHBondContact O-CB 3.27Å; E62-K66 PolarHBondContact O-N 2.91Å; I63-K66 PolarHBondContact O-N 2.92Å; I64-K66 VanDerWaalsContact C-N 3.35Å; I64-K66 PolarHBondContact O-N 3.07Å; K66-K96 WeakPolarHBondContact O-CE 3.36Å; K66-K96 PolarHBondContact O-NZ 2.77Å
67A95.4Very high95.1Very high2 Ų249.2 Ų49.22%0.01726%0.256CS..Hα-helixtrans-72.8-50.917800000112.1L6 Q8 I63 I64 H65 K96L6-A67 HydrophobicContact CB-CB 4.15Å; Q8-A67 CarbonylContact C-O 3.14Å; Q8-A67 VanDerWaalsContact O-O 3.12Å; Q8-A67 PolarHBondContact OE1-O 3.16Å; I63-A67 WeakPolarHBondContact O-CB 3.24Å; I63-A67 PolarHBondContact O-N 3.15Å; I64-A67 WeakPolarHBondContact O-CB 3.49Å; I64-A67 PolarHBondContact O-N 3.18Å; I64-A67 VanDerWaalsContact O-N 3.13Å; H65-A67 VanDerWaalsContact C-N 3.26Å; H65-A67 PolarHBondContact O-N 3.39Å; A67-K96 WeakPolarHBondContact O-CD 3.13Å; A67-K96 WeakPolarHBondContact O-CE 3.49Å; A67-K96 PolarHBondContact O-NZ 3.23Å
68L96.8Very high95.2Very high4 Ų450 Ų502%0.02126%0.256CS..Hα-helixtrans-106.3-27.4-166.7-67.2178.9000116.1L10 M50 F51 I64 L95 K96 Y345L10-L68 HydrophobicContact CD2-CD1 3.88Å; L10-L68 HydrophobicContact CD2-CD2 4.19Å; L10-L68 HydrophobicContact CG-CD2 4.33Å; M50-L68 HydrophobicContact CE-CD1 3.32Å; M50-L68 HydrophobicContact SD-CD1 4.33Å; F51-L68 HydrophobicContact CE1-CD1 4.42Å; F51-L68 HydrophobicContact CZ-CD1 4.36Å; I64-L68 PolarHBondContact O-N 3.39Å; L68-L95 WeakPolarHBondContact O-CA 3.4Å; L68-K96 PolarHBondContact O-N 3.46Å; L68-Y345 HydrophobicContact CD1-CD1 3.99Å; L68-Y345 HydrophobicContact CD1-CE1 3.49Å; L68-Y345 VanDerWaalsContact CD1-CE1 3.49Å; L68-Y345 HydrophobicContact CD1-CE2 4.23Å; L68-Y345 HydrophobicContact CD2-CD2 4.49Å; L68-Y345 HydrophobicContact CD2-CE1 4.45Å; L68-Y345 HydrophobicContact CD2-CE2 3.75Å; L68-Y345 HydrophobicContact CG-CE1 4.13Å; L68-Y345 HydrophobicContact CG-CE2 4.3Å
69I97.4Very high95.2Very high16 Ų1649.2 Ų49.28%0.08225%0.253CS..BIsolated β-bridgetrans-93.5134-171.8-59.3-179.3000110H65 K71 Q74 V93 A94 K96H65-I69 HydrophobicContact CB-CD1 4.07Å; H65-I69 WeakPolarHBondContact O-CA 3.13Å; H65-I69 WeakPolarHBondContact O-CB 3.33Å; H65-I69 PolarHBondContact O-N 3.37Å; I69-K71 PolarHBondContact O-N 3.38Å; I69-K71 VanDerWaalsContact O-N 3.13Å; I69-Q74 HydrophobicContact CG2-CB 4.39Å; I69-V93 HydrophobicContact CD1-CB 4.35Å; I69-V93 HydrophobicContact CD1-CG1 4.4Å; I69-A94 CarbonylContact C-O 3.48Å; I69-A94 VanDerWaalsContact CA-O 3.25Å; I69-A94 WeakPolarHBondContact CA-O 3.48Å; I69-A94 WeakPolarHBondContact CG2-O 3.36Å; I69-K96 WeakPolarHBondContact O-CE 3.37Å
70D97.5Very high95Very high24 Ų2444.4 Ų44.413%0.12823%0.23CC..  trans-76.793.4165.3-167.6-39.4000109.2N72 I73 Q74 A94 K96 V258D70-N72 PolarHBondContact O-N 3.48Å; D70-N72 PolarHBondContact OD1-N 3.22Å; D70-I73 PolarHBondContact OD1-N 3.42Å; D70-I73 VanDerWaalsContact OD1-N 3.07Å; D70-Q74 WeakPolarHBondContact O-CB 3.3Å; D70-Q74 PolarHBondContact O-N 3.32Å; D70-A94 HydrophobicContact CB-CB 4.35Å; D70-A94 PolarHBondContact N-O 3.26Å; D70-K96 HydrophobicContact CB-CG 4.29Å; D70-V258 HydrophobicContact CB-CG1 4.36Å
71K95.8Very high94.9Very high68 Ų6849.6 Ų49.630%0.29625%0.253SS..Hα-helixtrans-66.4-27.4-177.2-65-171-178.1-171.40113.1E62 I69 A75E62-K71 IonicContact OE1-NZ 4Å; E62-K71 PolarHBondContact OE1-NZ 3.13Å; E62-K71 IonicContact OE2-NZ 2.71Å; E62-K71 PolarHBondContact OE2-NZ 3.49Å; I69-K71 PolarHBondContact O-N 3.38Å; I69-K71 VanDerWaalsContact O-N 3.13Å; K71-A75 WeakPolarHBondContact O-CB 3.14Å; K71-A75 PolarHBondContact O-N 2.91Å
72N94.9Very high95Very high134 Ų13446.7 Ų46.772%0.71724%0.243SC*.Hα-helixtrans-71.4-52.7-177-64.7-24.2000109.5D70 A75 S76D70-N72 PolarHBondContact O-N 3.48Å; D70-N72 PolarHBondContact OD1-N 3.22Å; N72-A75 PolarHBondContact O-N 2.94Å; N72-S76 VanDerWaalsContact O-CB 3.28Å; N72-S76 WeakPolarHBondContact O-CB 3.31Å; N72-S76 PolarHBondContact O-N 2.61Å
73I95.8Very high95.1Very high8 Ų842.1 Ų42.14%0.04122%0.221CC..Hα-helixtrans-66.8-40.9178.3-62.8-175000110.7D70 A75 S76 L77 D253 H256 V258D70-I73 PolarHBondContact OD1-N 3.42Å; D70-I73 VanDerWaalsContact OD1-N 3.07Å; I73-A75 PolarHBondContact O-N 3.2Å; I73-S76 PolarHBondContact O-N 3.27Å; I73-L77 HydrophobicContact CG2-CD1 3.66Å; I73-L77 HydrophobicContact CG2-CG 4.11Å; I73-L77 WeakPolarHBondContact O-CG 3.3Å; I73-L77 PolarHBondContact O-N 2.75Å; I73-D253 HydrophobicContact CG1-CB 4.22Å; I73-D253 HydrophobicContact CG2-CB 4.28Å; I73-H256 HydrophobicContact CD1-CB 4.15Å; I73-V258 HydrophobicContact CB-CG2 4.35Å; I73-V258 HydrophobicContact CD1-CG1 3.75Å; I73-V258 HydrophobicContact CD1-CG2 4.1Å; I73-V258 HydrophobicContact CG2-CG2 3.73Å
74Q97.1Very high95.2Very high14 Ų1441.4 Ų41.47%0.06522%0.218CC..Hα-helixtrans-55.2-52.4175.3-171.976.223.900111.2I69 D70 E78 N84 L92 A94I69-Q74 HydrophobicContact CG2-CB 4.39Å; D70-Q74 WeakPolarHBondContact O-CB 3.3Å; D70-Q74 PolarHBondContact O-N 3.32Å; Q74-E78 PolarHBondContact NE2-OE1 3.01Å; Q74-E78 VanDerWaalsContact O-CB 3.3Å; Q74-E78 WeakPolarHBondContact O-CB 3.43Å; Q74-E78 VanDerWaalsContact O-CG 3.25Å; Q74-E78 WeakPolarHBondContact O-CG 3.33Å; Q74-E78 PolarHBondContact O-N 2.82Å; Q74-N84 PolarHBondContact NE2-ND2 3.4Å; Q74-N84 VanDerWaalsContact NE2-ND2 3.19Å; Q74-L92 PolarHBondContact NE2-O 3.09Å; Q74-A94 HydrophobicContact CB-CB 4.47Å
75A96.1Very high95.2Very high56 Ų5642.8 Ų42.846%0.46322%0.223SC..Hα-helixtrans-67-40.8-17800000112.1K71 N72 I73 S79K71-A75 WeakPolarHBondContact O-CB 3.14Å; K71-A75 PolarHBondContact O-N 2.91Å; N72-A75 PolarHBondContact O-N 2.94Å; I73-A75 PolarHBondContact O-N 3.2Å; A75-S79 WeakPolarHBondContact O-CB 3.24Å; A75-S79 PolarHBondContact O-N 2.89Å; A75-S79 PolarHBondContact O-OG 3.43Å
76S94.3Very high95.2Very high26 Ų2641 Ų4118%0.18222%0.216CC..Hα-helixtrans-57.8-56.2178-175.10000111.1N72 I73 E78 S79 Q80 D253N72-S76 VanDerWaalsContact O-CB 3.28Å; N72-S76 WeakPolarHBondContact O-CB 3.31Å; N72-S76 PolarHBondContact O-N 2.61Å; I73-S76 PolarHBondContact O-N 3.27Å; S76-E78 PolarHBondContact O-N 3.24Å; S76-S79 PolarHBondContact O-N 2.88Å; S76-S79 PolarHBondContact O-OG 2.76Å; S76-Q80 VanDerWaalsContact O-CG 3.25Å; S76-Q80 WeakPolarHBondContact O-CG 3.21Å; S76-Q80 PolarHBondContact O-N 3.48Å; S76-Q80 PolarHBondContact OG-NE2 2.97Å; S76-D253 WeakPolarHBondContact CB-OD2 3.31Å; S76-D253 PolarHBondContact OG-OD2 3.38Å
77L95.3Very high95.1Very high0 Ų044.6 Ų44.60%023%0.226CC..Hα-helixtrans-67.9-35.2-177.7-62.3176.3000113.2I73 K81 K82 L83I73-L77 HydrophobicContact CG2-CD1 3.66Å; I73-L77 HydrophobicContact CG2-CG 4.11Å; I73-L77 WeakPolarHBondContact O-CG 3.3Å; I73-L77 PolarHBondContact O-N 2.75Å; L77-K81 PolarHBondContact O-N 3.34Å; L77-K82 HydrophobicContact CD2-CB 4.44Å; L77-K82 PolarHBondContact O-N 3.41Å; L77-L83 HydrophobicContact CB-CB 3.6Å; L77-L83 HydrophobicContact CB-CD2 4.18Å; L77-L83 HydrophobicContact CD1-CD2 4.4Å; L77-L83 PolarHBondContact O-N 3.16Å
78E95.9Very high95.1Very high50 Ų5047.4 Ų47.423%0.23424%0.239CC..Hα-helixtrans-69.3-42.1175.8-74.8-175.9166.200111.9Q74 S76 Q80 K81 L83 N84 K91Q74-E78 PolarHBondContact NE2-OE1 3.01Å; Q74-E78 VanDerWaalsContact O-CB 3.3Å; Q74-E78 WeakPolarHBondContact O-CB 3.43Å; Q74-E78 VanDerWaalsContact O-CG 3.25Å; Q74-E78 WeakPolarHBondContact O-CG 3.33Å; Q74-E78 PolarHBondContact O-N 2.82Å; S76-E78 PolarHBondContact O-N 3.24Å; E78-Q80 VanDerWaalsContact C-N 3.26Å; E78-Q80 PolarHBondContact O-N 3.13Å; E78-K81 PolarHBondContact O-N 3.49Å; E78-K81 VanDerWaalsContact O-N 3.08Å; E78-L83 HydrophobicContact CG-CB 4.26Å; E78-L83 HydrophobicContact CG-CD2 4.33Å; E78-L83 HydrophobicContact CG-CG 4.33Å; E78-N84 HydrophobicContact CG-CB 4.28Å; E78-N84 PolarHBondContact OE1-ND2 3Å; E78-K91 WeakPolarHBondContact OE1-CE 3.26Å; E78-K91 IonicContact OE1-NZ 3.94Å; E78-K91 PolarHBondContact OE1-NZ 3.13Å; E78-K91 IonicContact OE2-NZ 3.72Å
79S93.4Very high95.1Very high86 Ų8648 Ų4860%0.60124%0.242SC*.Hα-helixtrans-62.7-35.5179.772.60000112.1A75 S76 K81A75-S79 WeakPolarHBondContact O-CB 3.24Å; A75-S79 PolarHBondContact O-N 2.89Å; A75-S79 PolarHBondContact O-OG 3.43Å; S76-S79 PolarHBondContact O-N 2.88Å; S76-S79 PolarHBondContact O-OG 2.76Å; S79-K81 PolarHBondContact O-N 3.03Å
80Q89.6Confident95Very high34 Ų3449 Ų4916%0.15925%0.245CC..THydrogen-bonded Turntrans-82.23.4177.8-62.9171.215.500113.8S76 E78 K82 D212S76-Q80 VanDerWaalsContact O-CG 3.25Å; S76-Q80 WeakPolarHBondContact O-CG 3.21Å; S76-Q80 PolarHBondContact O-N 3.48Å; S76-Q80 PolarHBondContact OG-NE2 2.97Å; E78-Q80 VanDerWaalsContact C-N 3.26Å; E78-Q80 PolarHBondContact O-N 3.13Å; Q80-K82 HydrophobicContact CB-CG 3.97Å; Q80-K82 PolarHBondContact O-N 2.91Å; Q80-D212 VanDerWaalsContact CD-CG 3.48Å; Q80-D212 PolarHBondContact NE2-OD2 3.13Å; Q80-D212 VanDerWaalsContact NE2-OD2 3.09Å; Q80-D212 PolarHBondContact OE1-OD1 3.06Å; Q80-D212 PolarHBondContact OE1-OD2 2.94Å
81K92.2Very high94.8Very high116 Ų11652.8 Ų52.850%0.50426%0.26SS..THydrogen-bonded Turntrans56.930.4-176.8-51.5-58179.6-168.20113.4L77 E78 S79 W85L77-K81 PolarHBondContact O-N 3.34Å; E78-K81 PolarHBondContact O-N 3.49Å; E78-K81 VanDerWaalsContact O-N 3.08Å; S79-K81 PolarHBondContact O-N 3.03Å; K81-W85 HydrophobicContact CB-CB 4.18Å
82K94.4Very high95Very high13 Ų1349.9 Ų49.96%0.05725%0.248CC..SBendtrans-89.2-39.7172.1-59.7-59.7-177.9-173.70111.5L77 Q80 I210L77-K82 HydrophobicContact CD2-CB 4.44Å; L77-K82 PolarHBondContact O-N 3.41Å; Q80-K82 HydrophobicContact CB-CG 3.97Å; Q80-K82 PolarHBondContact O-N 2.91Å; K82-I210 HydrophobicContact CB-CG2 3.89Å
83L96.9Very high95.1Very high2 Ų243.8 Ų43.81%0.0122%0.215CC..SBendtrans-109.6142.6179.2-174.662000111L77 E78 W85 L92 I210 L260L77-L83 HydrophobicContact CB-CB 3.6Å; L77-L83 HydrophobicContact CB-CD2 4.18Å; L77-L83 HydrophobicContact CD1-CD2 4.4Å; L77-L83 PolarHBondContact O-N 3.16Å; E78-L83 HydrophobicContact CG-CB 4.26Å; E78-L83 HydrophobicContact CG-CD2 4.33Å; E78-L83 HydrophobicContact CG-CG 4.33Å; L83-W85 PolarHBondContact O-N 3.3Å; L83-W85 VanDerWaalsContact O-N 3.11Å; L83-L92 HydrophobicContact CD1-CB 3.91Å; L83-L92 HydrophobicContact CD1-CD1 4.16Å; L83-I210 HydrophobicContact CD1-CD1 4.14Å; L83-L260 HydrophobicContact CD1-CD1 3.8Å; L83-L260 HydrophobicContact CD1-CD2 4.18Å; L83-L260 HydrophobicContact CD2-CD2 3.71Å
84N96.4Very high95.2Very high47 Ų4743.4 Ų43.425%0.25121%0.213SC..SBendtrans52.133.6172.8-57.7-34.1000115.3Q74 E78 K91 L92Q74-N84 PolarHBondContact NE2-ND2 3.4Å; Q74-N84 VanDerWaalsContact NE2-ND2 3.19Å; E78-N84 HydrophobicContact CG-CB 4.28Å; E78-N84 PolarHBondContact OE1-ND2 3Å; N84-K91 HydrophobicContact CB-CG 4.44Å; N84-K91 VanDerWaalsContact ND2-CE 3.34Å; N84-K91 WeakPolarHBondContact ND2-CE 3.32Å; N84-K91 WeakPolarHBondContact ND2-CG 3.49Å; N84-L92 PolarHBondContact ND2-O 3.34Å; N84-L92 PolarHBondContact OD1-N 3.23Å
85W94.6Very high95.3Very high30 Ų3042.9 Ų42.911%0.11421%0.211CC..  trans-87.5-25.9-179.865.2-97.2000113.5K81 L83 P274 V276 R278 F283 I325K81-W85 HydrophobicContact CB-CB 4.18Å; L83-W85 PolarHBondContact O-N 3.3Å; L83-W85 VanDerWaalsContact O-N 3.11Å; W85-P274 HydrophobicContact CZ2-CB 3.76Å; W85-P274 HydrophobicContact CZ2-CG 4Å; W85-V276 HydrophobicContact CH2-CG2 4.27Å; W85-V276 HydrophobicContact CZ2-CG2 4.16Å; W85-V276 WeakPolarHBondContact CZ2-O 3.39Å; W85-R278 HydrophobicContact CD2-CB 3.98Å; W85-R278 HydrophobicContact CE3-CB 3.97Å; W85-R278 HydrophobicContact CE3-CG 4.43Å; W85-R278 HydrophobicContact CH2-CB 4.31Å; W85-R278 HydrophobicContact CZ2-CB 4.34Å; W85-R278 HydrophobicContact CZ3-CB 4.15Å; W85-F283 HydrophobicContact CH2-CD1 4Å; W85-F283 AromaticContact CH2-CE1 3.5Å; W85-F283 HydrophobicContact CH2-CE1 3.5Å; W85-F283 AromaticContact CZ3-CE1 3.67Å; W85-F283 HydrophobicContact CZ3-CE1 3.67Å; W85-F283 HydrophobicContact CZ3-CZ 4.44Å; W85-I325 HydrophobicContact CH2-CD1 3.54Å; W85-I325 HydrophobicContact CZ2-CD1 4.21Å; W85-I325 HydrophobicContact CZ3-CD1 4.36Å
86C94.6Very high95.4Very high7 Ų743.2 Ų43.25%0.04720%0.202CC..  trans-87.6125.7178.5173.40000108.7E88 V89 P274C86-E88 PolarHBondContact SG-OE2 3.34Å; C86-V89 HydrophobicContact CB-CG2 3.77Å; C86-V89 WeakPolarHBondContact O-CG2 3.29Å; C86-P274 HydrophobicContact CB-CG 3.95Å
87R93.4Very high95.5Very high200 Ų20042.7 Ų42.776%0.75520%0.198SC*.SBendtrans-82.4-22.4-172.8-67.7-179.1174.5-179.7-1.7112.2V89R87-V89 VanDerWaalsContact C-N 3.27Å
88E95.3Very high95.5Very high61 Ų6145.8 Ų45.829%0.28522%0.215SC..SBendtrans-79.9-12.3-175.5-59.177.7-167.600112C86 I270 I312 P313C86-E88 PolarHBondContact SG-OE2 3.34Å; E88-I270 PolarHBondContact O-N 3.37Å; E88-I312 HydrophobicContact CB-CG2 3.6Å; E88-I312 HydrophobicContact CG-CG2 4.15Å; E88-P313 WeakPolarHBondContact CG-O 3.38Å
89V95.8Very high95.4Very high15 Ų1545.8 Ų45.89%0.09123%0.228CC..BIsolated β-bridgetrans-111.5151.9179.9-60.50000112.8C86 R87 I270 A272 P274 I312C86-V89 HydrophobicContact CB-CG2 3.77Å; C86-V89 WeakPolarHBondContact O-CG2 3.29Å; R87-V89 VanDerWaalsContact C-N 3.27Å; V89-I270 CarbonylContact C-O 3.59Å; V89-I270 WeakPolarHBondContact CA-O 3.38Å; V89-A272 HydrophobicContact CG1-CB 4.16Å; V89-P274 HydrophobicContact CG2-CG 4.43Å; V89-I312 HydrophobicContact CG1-CD1 3.36Å
90R95.2Very high95.3Very high38 Ų3843.2 Ų43.214%0.14321%0.207CC..PPolyproline II helixtrans-62144.7179-70.1-173.8178.7-156.6-11.5112.2D265 E269 I270R90-D265 PolarHBondContact NH1-O 2.72Å; R90-D265 VanDerWaalsContact NH1-O 3.1Å; R90-D265 PolarHBondContact NH2-O 2.75Å; R90-E269 HydrophobicContact CG-CB 3.94Å; R90-E269 WeakPolarHBondContact CG-O 3.42Å; R90-E269 PolarHBondContact NE-O 3.27Å; R90-I270 PolarHBondContact N-O 2.8Å
91K95.1Very high95.5Very high104 Ų10441.9 Ų41.945%0.45220%0.202SC..PPolyproline II helixtrans-65.4133.8175.8-168.3173.2-178.4160.50111.4E78 N84E78-K91 WeakPolarHBondContact OE1-CE 3.26Å; E78-K91 IonicContact OE1-NZ 3.94Å; E78-K91 PolarHBondContact OE1-NZ 3.13Å; E78-K91 IonicContact OE2-NZ 3.72Å; N84-K91 HydrophobicContact CB-CG 4.44Å; N84-K91 VanDerWaalsContact ND2-CE 3.34Å; N84-K91 WeakPolarHBondContact ND2-CE 3.32Å; N84-K91 WeakPolarHBondContact ND2-CG 3.49Å
92L97.9Very high95.7Very high6 Ų636.3 Ų36.33%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-99.8143.9169-60.9178.5000110.9Q74 L83 N84 V249 L260 V261 T262 L330Q74-L92 PolarHBondContact NE2-O 3.09Å; L83-L92 HydrophobicContact CD1-CB 3.91Å; L83-L92 HydrophobicContact CD1-CD1 4.16Å; N84-L92 PolarHBondContact ND2-O 3.34Å; N84-L92 PolarHBondContact OD1-N 3.23Å; L92-V249 HydrophobicContact CD1-CG1 4.16Å; L92-L260 HydrophobicContact CB-CB 4.26Å; L92-L260 HydrophobicContact CD1-CB 4.29Å; L92-V261 CarbonylContact C-O 3.53Å; L92-V261 WeakPolarHBondContact CA-O 3.3Å; L92-T262 HydrophobicContact CD2-CG2 3.43Å; L92-T262 VanDerWaalsContact CD2-CG2 3.43Å; L92-L330 HydrophobicContact CD2-CD1 3.78Å
93V97.9Very high95.9Very high6 Ų636.2 Ų36.24%0.03618%0.179CC..EExtended strand (participates in β ladder)trans-125.2136.8178.1-63.60000111.6M50 I69 L260 V261 L263M50-V93 HydrophobicContact CB-CG2 4.21Å; M50-V93 HydrophobicContact CG-CG2 4.35Å; I69-V93 HydrophobicContact CD1-CB 4.35Å; I69-V93 HydrophobicContact CD1-CG1 4.4Å; V93-L260 WeakPolarHBondContact O-CA 3.47Å; V93-V261 HydrophobicContact CG2-CG2 3.77Å; V93-V261 PolarHBondContact N-O 3.49Å; V93-V261 PolarHBondContact O-N 3.03Å; V93-L263 HydrophobicContact CG1-CD1 3.84Å; V93-L263 HydrophobicContact CG1-CD2 4.4Å; V93-L263 HydrophobicContact CG1-CG 4.09Å; V93-L263 HydrophobicContact CG2-CD2 4.19Å; V93-L263 HydrophobicContact CG2-CG 4.27Å
94A98.3Very high96Very high0 Ų036.3 Ų36.30%018%0.179CC..EExtended strand (participates in β ladder)trans-82.2113.9178.100000111.2I69 D70 Q74 V258 P259 L260I69-A94 CarbonylContact C-O 3.48Å; I69-A94 VanDerWaalsContact CA-O 3.25Å; I69-A94 WeakPolarHBondContact CA-O 3.48Å; I69-A94 WeakPolarHBondContact CG2-O 3.36Å; D70-A94 HydrophobicContact CB-CB 4.35Å; D70-A94 PolarHBondContact N-O 3.26Å; Q74-A94 HydrophobicContact CB-CB 4.47Å; A94-V258 HydrophobicContact CB-CB 4.4Å; A94-V258 HydrophobicContact CB-CG2 3.83Å; A94-P259 WeakPolarHBondContact CA-O 3.49Å; A94-L260 HydrophobicContact CB-CD2 3.85Å
95L98.3Very high96.1Very high4 Ų434 Ų342%0.02117%0.167CC..BIsolated β-bridgetrans-80.8144.3171.5-53.2176.5000110.7L10 L48 M50 L68 T97 V258 P259 V261L10-L95 HydrophobicContact CD1-CD1 3.94Å; L48-L95 HydrophobicContact CD2-CD1 4.21Å; M50-L95 HydrophobicContact SD-CD2 4.32Å; L68-L95 WeakPolarHBondContact O-CA 3.4Å; L95-T97 PolarHBondContact O-OG1 2.97Å; L95-V258 WeakPolarHBondContact O-CB 3.23Å; L95-V258 WeakPolarHBondContact O-CG1 3.17Å; L95-P259 HydrophobicContact CB-CG 3.84Å; L95-P259 HydrophobicContact CD1-CG 4.27Å; L95-P259 HydrophobicContact CG-CG 4.28Å; L95-P259 PolarHBondContact N-O 3.14Å; L95-P259 VanDerWaalsContact N-O 3.14Å; L95-V261 HydrophobicContact CD1-CG1 4.19Å; L95-V261 HydrophobicContact CD1-CG2 3.99Å; L95-V261 HydrophobicContact CD2-CG2 4.16Å; L95-V261 HydrophobicContact CG-CG2 3.89Å
96K98Very high96.3Very high63 Ų6332.7 Ų32.727%0.27416%0.162SC..  trans-58.3141.1174.8-70.1-178.6-175.2172.20111.7K66 A67 L68 I69 D70 Q110K66-K96 WeakPolarHBondContact O-CE 3.36Å; K66-K96 PolarHBondContact O-NZ 2.77Å; A67-K96 WeakPolarHBondContact O-CD 3.13Å; A67-K96 WeakPolarHBondContact O-CE 3.49Å; A67-K96 PolarHBondContact O-NZ 3.23Å; L68-K96 PolarHBondContact O-N 3.46Å; I69-K96 WeakPolarHBondContact O-CE 3.37Å; D70-K96 HydrophobicContact CB-CG 4.29Å; K96-Q110 PolarHBondContact O-NE2 3.45Å; K96-Q110 PolarHBondContact O-OE1 3.39Å
97T97.6Very high96.5Very high14 Ų1432.3 Ų32.39%0.08616%0.16CC..  trans-134.1147-178.7-59.50000109.7L95 C103 H106 A107 Q110 H256 F257 P259L95-T97 PolarHBondContact O-OG1 2.97Å; T97-C103 HydrophobicContact CG2-CB 4.05Å; T97-H106 HydrophobicContact CG2-CB 3.45Å; T97-H106 VanDerWaalsContact CG2-CB 3.45Å; T97-A107 HydrophobicContact CG2-CB 4.37Å; T97-Q110 PolarHBondContact OG1-NE2 2.86Å; T97-H256 PolarHBondContact O-CE1 2.86Å; T97-H256 VanDerWaalsContact O-CE1 3.28Å; T97-H256 PolarHBondContact O-NE2 3.3Å; T97-H256 VanDerWaalsContact O-NE2 3.14Å; T97-F257 WeakPolarHBondContact CB-O 3.11Å; T97-F257 WeakPolarHBondContact CG2-O 3.31Å; T97-P259 VanDerWaalsContact OG1-CD 3.28Å; T97-P259 WeakPolarHBondContact OG1-CD 3.5Å
98N95.1Very high96.7Very high66 Ų6622.8 Ų22.835%0.35312%0.124SC..  trans-70.5136.4177.9-66.71.7000110.6D100 C103 Q116 H256N98-D100 PolarHBondContact O-N 2.84Å; N98-C103 WeakPolarHBondContact O-CB 3.03Å; N98-Q116 PolarHBondContact ND2-OE1 3.32Å; N98-Q116 PolarHBondContact OD1-NE2 3.3Å; N98-Q116 PolarHBondContact OD1-OE1 2.93Å; N98-H256 PolarHBondContact O-CE1 3.45Å
99G92.6Very high96.9Very high50 Ų5020 Ų2052%0.51511%0.112SC..  trans-97.749.4178.800000113.1L186G99-L186 WeakPolarHBondContact O-CD2 3.46Å
100D93.1Very high97Very high32 Ų3219.5 Ų19.517%0.17111%0.108CC..SBendtrans-93.95.2-176.868.9-9.9000113.8N98 N102 H106 Q187 Y188N98-D100 PolarHBondContact O-N 2.84Å; D100-N102 WeakPolarHBondContact OD1-CA 3.39Å; D100-N102 WeakPolarHBondContact OD1-CB 3.34Å; D100-N102 PolarHBondContact OD1-N 3.21Å; D100-H106 IonicContact OD1-CD2 2.58Å; D100-H106 IonicContact OD1-NE2 2.75Å; D100-H106 PolarHBondContact OD1-NE2 3.49Å; D100-H106 VanDerWaalsContact OD1-NE2 3.12Å; D100-H106 IonicContact OD2-CE1 2.71Å; D100-H106 IonicContact OD2-NE2 2.78Å; D100-H106 PolarHBondContact OD2-NE2 3.11Å; D100-Q187 HydrophobicContact CB-CB 4.28Å; D100-Q187 PolarHBondContact O-N 2.92Å; D100-Q187 VanDerWaalsContact O-N 3.14Å; D100-Y188 PolarHBondContact O-N 3.49Å
101G92.6Very high97.2Very high5 Ų517.7 Ų17.75%0.05210%0.101CC..SBendtrans95.3-7.6-17200000114.5R123 Y188 N189G101-R123 PolarHBondContact O-NH1 3.07Å; G101-Y188 WeakPolarHBondContact CA-O 3.35Å; G101-N189 VanDerWaalsContact O-O 3.09Å
102N97.3Very high97.4Very high0 Ų012.8 Ų12.80%08%0.08CC..  trans-106.816.2175.9-160.440.3000113.3D100 L104 M105 H106 D117 R123 Y188D100-N102 WeakPolarHBondContact OD1-CA 3.39Å; D100-N102 WeakPolarHBondContact OD1-CB 3.34Å; D100-N102 PolarHBondContact OD1-N 3.21Å; N102-L104 VanDerWaalsContact C-N 3.26Å; N102-L104 PolarHBondContact O-N 3.49Å; N102-L104 VanDerWaalsContact O-N 3.12Å; N102-M105 PolarHBondContact O-N 3.16Å; N102-M105 WeakPolarHBondContact OD1-CB 3.5Å; N102-M105 WeakPolarHBondContact OD1-CG 3.41Å; N102-H106 PolarHBondContact ND2-CE1 2.85Å; N102-H106 PolarHBondContact O-N 3.02Å; N102-D117 PolarHBondContact ND2-O 2.93Å; N102-D117 PolarHBondContact ND2-OD2 3.07Å; N102-R123 WeakPolarHBondContact OD1-CD 3.45Å; N102-R123 PolarHBondContact OD1-NH1 2.77Å; N102-R123 VanDerWaalsContact OD1-NH1 3.15Å; N102-Y188 HydrophobicContact CB-CD2 3.86Å; N102-Y188 HydrophobicContact CB-CE2 4.44Å
103C97.8Very high97.4Very high11 Ų1112.6 Ų12.67%0.0748%0.079CC..Hα-helixtrans-56.2-31.9-173.961.40000114.6T97 N98 M105 H106 A107 F257T97-C103 HydrophobicContact CG2-CB 4.05Å; N98-C103 WeakPolarHBondContact O-CB 3.03Å; C103-M105 VanDerWaalsContact C-N 3.34Å; C103-M105 PolarHBondContact O-N 2.95Å; C103-H106 PolarHBondContact O-N 2.86Å; C103-A107 VanDerWaalsContact O-CB 3.24Å; C103-A107 WeakPolarHBondContact O-CB 3.37Å; C103-A107 PolarHBondContact O-N 3.09Å; C103-F257 HydrophobicContact CB-CB 4.37Å; C103-F257 PolarHBondContact SG-N 2.98Å
104L98.7Very high97.4Very high3 Ų312.4 Ų12.42%0.0168%0.077CC..Hα-helixtrans-57.2-47.1173.3173.861000111.7N102 T108 L191 H195 I196 L199 L250 F257N102-L104 VanDerWaalsContact C-N 3.26Å; N102-L104 PolarHBondContact O-N 3.49Å; N102-L104 VanDerWaalsContact O-N 3.12Å; L104-T108 VanDerWaalsContact O-CB 3.31Å; L104-T108 WeakPolarHBondContact O-CB 3.41Å; L104-T108 PolarHBondContact O-N 3.47Å; L104-T108 PolarHBondContact O-OG1 2.84Å; L104-L191 HydrophobicContact CB-CD1 4.45Å; L104-L191 HydrophobicContact CD2-CB 4Å; L104-L191 HydrophobicContact CD2-CD1 3.95Å; L104-H195 HydrophobicContact CD2-CB 4.41Å; L104-I196 HydrophobicContact CD1-CD1 4.5Å; L104-I196 HydrophobicContact CD1-CG1 3.98Å; L104-I196 HydrophobicContact CD2-CG1 3.8Å; L104-L199 HydrophobicContact CD1-CD2 4.32Å; L104-L199 HydrophobicContact CD2-CD2 4.38Å; L104-L199 HydrophobicContact CG-CD2 4.1Å; L104-L250 HydrophobicContact CD1-CD1 3.87Å; L104-F257 HydrophobicContact CB-CD2 3.87Å; L104-F257 HydrophobicContact CB-CE2 4.16Å; L104-F257 HydrophobicContact CB-CG 4.31Å; L104-F257 HydrophobicContact CD1-CD1 4.17Å; L104-F257 HydrophobicContact CD1-CD2 4.42Å; L104-F257 HydrophobicContact CD1-CE1 4.17Å; L104-F257 HydrophobicContact CD1-CE2 4.42Å; L104-F257 HydrophobicContact CD1-CG 4.3Å; L104-F257 HydrophobicContact CD1-CZ 4.29Å
105M98.7Very high97.4Very high0 Ų012.5 Ų12.50%08%0.078CC..Hα-helixtrans-72.5-39.6179.9-59.4-54.5177.100111.2N102 C103 T108 S109 D117 L122 R123 L126 L191 L199N102-M105 PolarHBondContact O-N 3.16Å; N102-M105 WeakPolarHBondContact OD1-CB 3.5Å; N102-M105 WeakPolarHBondContact OD1-CG 3.41Å; C103-M105 VanDerWaalsContact C-N 3.34Å; C103-M105 PolarHBondContact O-N 2.95Å; M105-T108 PolarHBondContact O-N 3.06Å; M105-S109 WeakPolarHBondContact O-CB 3.29Å; M105-S109 PolarHBondContact O-N 2.86Å; M105-D117 HydrophobicContact CB-CB 3.7Å; M105-D117 WeakPolarHBondContact CB-OD2 3.27Å; M105-L122 HydrophobicContact CB-CB 4.1Å; M105-L122 HydrophobicContact CG-CB 4.13Å; M105-L122 HydrophobicContact SD-CB 3.6Å; M105-R123 HydrophobicContact CG-CB 4.18Å; M105-L126 HydrophobicContact CE-CB 3.7Å; M105-L126 HydrophobicContact CE-CD2 3.22Å; M105-L126 HydrophobicContact CE-CG 4.01Å; M105-L191 HydrophobicContact CE-CD1 3.82Å; M105-L199 HydrophobicContact CE-CD1 4.3Å; M105-L199 HydrophobicContact CE-CD2 4.28Å; M105-L199 HydrophobicContact SD-CD1 3.89Å; M105-L199 HydrophobicContact SD-CD2 3.77Å; M105-L199 HydrophobicContact SD-CG 4.44Å
106H98.7Very high97.4Very high1 Ų112.5 Ų12.51%0.0058%0.078CC..Hα-helixtrans-61.2-46.8175.2-61.3-27.9000112.4T97 D100 N102 C103 Q110 Q116 D117T97-H106 HydrophobicContact CG2-CB 3.45Å; T97-H106 VanDerWaalsContact CG2-CB 3.45Å; D100-H106 IonicContact OD1-CD2 2.58Å; D100-H106 IonicContact OD1-NE2 2.75Å; D100-H106 PolarHBondContact OD1-NE2 3.49Å; D100-H106 VanDerWaalsContact OD1-NE2 3.12Å; D100-H106 IonicContact OD2-CE1 2.71Å; D100-H106 IonicContact OD2-NE2 2.78Å; D100-H106 PolarHBondContact OD2-NE2 3.11Å; N102-H106 PolarHBondContact ND2-CE1 2.85Å; N102-H106 PolarHBondContact O-N 3.02Å; C103-H106 PolarHBondContact O-N 2.86Å; H106-Q110 WeakPolarHBondContact O-CB 3.39Å; H106-Q110 VanDerWaalsContact O-CG 3.23Å; H106-Q110 WeakPolarHBondContact O-CG 3.49Å; H106-Q110 PolarHBondContact O-N 2.8Å; H106-Q116 HydrophobicContact CB-CB 4.06Å; H106-Q116 HydrophobicContact CB-CG 4.1Å; H106-Q116 PolarHBondContact CD2-OE1 3.27Å; H106-D117 PolarHBondContact CE1-O 3.1Å; H106-D117 VanDerWaalsContact CE1-O 3.28Å; H106-D117 PolarHBondContact ND1-N 3.05Å; H106-D117 VanDerWaalsContact ND1-N 3.18Å
107A98.8Very high97.4Very high0 Ų09.8 Ų9.80%07%0.067CC..Hα-helixtrans-64.2-46.1178.900000111.3T97 C103 S109 Q110 Y111 L250 F257 P259T97-A107 HydrophobicContact CG2-CB 4.37Å; C103-A107 VanDerWaalsContact O-CB 3.24Å; C103-A107 WeakPolarHBondContact O-CB 3.37Å; C103-A107 PolarHBondContact O-N 3.09Å; A107-S109 PolarHBondContact O-N 2.83Å; A107-Q110 PolarHBondContact O-N 3.41Å; A107-Y111 PolarHBondContact O-N 3.47Å; A107-L250 HydrophobicContact CB-CD2 3.92Å; A107-F257 HydrophobicContact CB-CB 4.03Å; A107-P259 WeakPolarHBondContact O-CB 3.23Å
108T98.9Very high97.4Very high0 Ų011.9 Ų11.90%08%0.08CC..Hα-helixtrans-61.4-46.4178.1-58.10000112L104 M105 Q110 Y111 M112 L122 L199 L203 I248L104-T108 VanDerWaalsContact O-CB 3.31Å; L104-T108 WeakPolarHBondContact O-CB 3.41Å; L104-T108 PolarHBondContact O-N 3.47Å; L104-T108 PolarHBondContact O-OG1 2.84Å; M105-T108 PolarHBondContact O-N 3.06Å; T108-Q110 PolarHBondContact O-N 3.35Å; T108-Y111 PolarHBondContact O-N 2.98Å; T108-M112 HydrophobicContact CG2-CE 3.88Å; T108-M112 PolarHBondContact O-N 3.48Å; T108-L122 HydrophobicContact CG2-CD1 4.48Å; T108-L199 HydrophobicContact CG2-CD2 4.04Å; T108-L203 HydrophobicContact CG2-CD1 3.51Å; T108-I248 HydrophobicContact CG2-CD1 3.87Å
109S98.8Very high97.5Very high3 Ų312.1 Ų12.12%0.0218%0.081CC..Hα-helixtrans-62.1-41175.6178.30000112M105 A107 M112 W113 V115M105-S109 WeakPolarHBondContact O-CB 3.29Å; M105-S109 PolarHBondContact O-N 2.86Å; A107-S109 PolarHBondContact O-N 2.83Å; S109-M112 PolarHBondContact O-N 3.11Å; S109-W113 PolarHBondContact O-N 2.99Å; S109-V115 CarbonylContact C-O 3.51Å; S109-V115 VanDerWaalsContact CB-O 3.24Å; S109-V115 WeakPolarHBondContact CB-O 3.1Å; S109-V115 PolarHBondContact OG-O 3.19Å
110Q98.6Very high97.8Very high3 Ų310.6 Ų10.61%0.0146%0.061CC..Hα-helixtrans-66.3-40.9178.2-78.9-175.4104.800112.2K96 T97 H106 A107 T108 M112 G114 V115 Q116 P259K96-Q110 PolarHBondContact O-NE2 3.45Å; K96-Q110 PolarHBondContact O-OE1 3.39Å; T97-Q110 PolarHBondContact OG1-NE2 2.86Å; H106-Q110 WeakPolarHBondContact O-CB 3.39Å; H106-Q110 VanDerWaalsContact O-CG 3.23Å; H106-Q110 WeakPolarHBondContact O-CG 3.49Å; H106-Q110 PolarHBondContact O-N 2.8Å; A107-Q110 PolarHBondContact O-N 3.41Å; T108-Q110 PolarHBondContact O-N 3.35Å; Q110-M112 VanDerWaalsContact C-N 3.26Å; Q110-M112 PolarHBondContact O-N 2.97Å; Q110-G114 WeakPolarHBondContact O-CA 3.13Å; Q110-G114 PolarHBondContact O-N 3.08Å; Q110-V115 WeakPolarHBondContact CA-O 3.33Å; Q110-V115 WeakPolarHBondContact CG-O 3.39Å; Q110-V115 PolarHBondContact N-O 3.06Å; Q110-V115 VanDerWaalsContact N-O 3.1Å; Q110-Q116 HydrophobicContact CG-CG 3.75Å; Q110-P259 HydrophobicContact CB-CB 4.48Å; Q110-P259 HydrophobicContact CB-CG 3.88Å
111Y98.9Very high98Very high1 Ų110 Ų100%0.0046%0.058CC..Hα-helixtrans-58.8-39.2177.5-170.5-81.5000112.1T47 L48 A107 T108 P247 I248 V249 P259 L260 V261T47-Y111 HydrophobicContact CG2-CE1 3.76Å; L48-Y111 VanDerWaalsContact CB-O 3.26Å; L48-Y111 WeakPolarHBondContact CB-O 3.43Å; L48-Y111 PolarHBondContact N-O 3.49Å; A107-Y111 PolarHBondContact O-N 3.47Å; T108-Y111 PolarHBondContact O-N 2.98Å; Y111-P247 PolarHBondContact OH-O 3.34Å; Y111-I248 HydrophobicContact CD1-CB 4.08Å; Y111-I248 HydrophobicContact CD1-CG1 3.92Å; Y111-I248 HydrophobicContact CD1-CG2 3.84Å; Y111-I248 HydrophobicContact CD2-CG2 4.22Å; Y111-I248 HydrophobicContact CE1-CB 4.31Å; Y111-I248 HydrophobicContact CE1-CG1 4.24Å; Y111-I248 HydrophobicContact CE1-CG2 4.45Å; Y111-I248 HydrophobicContact CG-CB 4.45Å; Y111-I248 HydrophobicContact CG-CG2 3.73Å; Y111-V249 WeakPolarHBondContact CD2-O 3.25Å; Y111-V249 HydrophobicContact CE2-CB 4.03Å; Y111-V249 HydrophobicContact CE2-CG2 4.41Å; Y111-V249 VanDerWaalsContact CE2-N 3.3Å; Y111-P259 HydrophobicContact CD2-CB 4.24Å; Y111-L260 WeakPolarHBondContact CE2-O 3.24Å; Y111-V261 HydrophobicContact CD2-CG1 4.04Å; Y111-V261 HydrophobicContact CE2-CG1 4.44Å
112M98.8Very high98.3Very high0 Ų09.9 Ų9.90%06%0.056CC..Hα-helixtrans-85.9-41.1-178.8-62.1-177.1-69.500113Y46 T108 S109 Q110 L203 I248Y46-M112 CarbonylContact C-O 3.58Å; Y46-M112 WeakPolarHBondContact CB-O 3.43Å; Y46-M112 WeakPolarHBondContact O-CA 3.37Å; T108-M112 HydrophobicContact CG2-CE 3.88Å; T108-M112 PolarHBondContact O-N 3.48Å; S109-M112 PolarHBondContact O-N 3.11Å; Q110-M112 VanDerWaalsContact C-N 3.26Å; Q110-M112 PolarHBondContact O-N 2.97Å; M112-L203 HydrophobicContact CE-CD1 4.13Å; M112-L203 HydrophobicContact CE-CD2 3.77Å; M112-L203 HydrophobicContact SD-CD1 4.42Å; M112-L203 HydrophobicContact SD-CD2 4.13Å; M112-I248 HydrophobicContact CE-CD1 4.33Å; M112-I248 HydrophobicContact CG-CD1 3.83Å; M112-I248 HydrophobicContact CG-CG1 4.4Å; M112-I248 HydrophobicContact SD-CD1 3.68Å
113W98.6Very high98.4Very high3 Ų39.9 Ų9.91%0.0116%0.056CC..Hα-helixtrans-130.4-4.1-162.3-48-40.3000115.1I21 T25 F40 M43 S109 V115 L122I21-W113 HydrophobicContact CG2-CB 3.81Å; I21-W113 HydrophobicContact CG2-CG 4.4Å; T25-W113 HydrophobicContact CG2-CE3 4.3Å; T25-W113 HydrophobicContact CG2-CH2 3.48Å; T25-W113 VanDerWaalsContact CG2-CH2 3.48Å; T25-W113 HydrophobicContact CG2-CZ2 4.39Å; T25-W113 HydrophobicContact CG2-CZ3 3.42Å; T25-W113 VanDerWaalsContact CG2-CZ3 3.42Å; F40-W113 HydrophobicContact CD1-CH2 4.43Å; F40-W113 HydrophobicContact CD1-CZ2 4.3Å; F40-W113 AromaticContact CE1-CH2 3.71Å; F40-W113 HydrophobicContact CE1-CH2 3.71Å; F40-W113 AromaticContact CE1-CZ2 3.99Å; F40-W113 HydrophobicContact CE1-CZ2 3.99Å; F40-W113 AromaticContact CZ-CH2 3.75Å; F40-W113 HydrophobicContact CZ-CH2 3.75Å; F40-W113 HydrophobicContact CZ-CZ2 4.38Å; M43-W113 HydrophobicContact CB-CZ2 3.86Å; M43-W113 HydrophobicContact CE-CD2 4.09Å; M43-W113 HydrophobicContact CE-CG 4.21Å; M43-W113 HydrophobicContact CE-CZ2 4.44Å; M43-W113 PolarHBondContact O-NE1 2.95Å; S109-W113 PolarHBondContact O-N 2.99Å; W113-V115 HydrophobicContact CB-CG2 4.12Å; W113-V115 PolarHBondContact O-N 2.86Å; W113-L122 HydrophobicContact CH2-CD2 4.13Å; W113-L122 HydrophobicContact CZ3-CD1 4.28Å; W113-L122 HydrophobicContact CZ3-CD2 4.49Å; W113-L122 HydrophobicContact CZ3-CG 4.41Å
114G97.8Very high98.4Very high1 Ų114.6 Ų14.61%0.018%0.076CC..SBendtrans70.37.7-179.300000115.9Q110Q110-G114 WeakPolarHBondContact O-CA 3.13Å; Q110-G114 PolarHBondContact O-N 3.08Å
115V98.4Very high98.4Very high2 Ų214.9 Ų14.91%0.0128%0.078CC..SBendtrans-116.5152.5173.4-61.30000110.6A18 I21 R22 S109 Q110 W113 L341A18-V115 HydrophobicContact CB-CG1 3.81Å; I21-V115 HydrophobicContact CB-CG1 4.25Å; I21-V115 HydrophobicContact CB-CG2 4.47Å; I21-V115 HydrophobicContact CD1-CG1 4.07Å; I21-V115 HydrophobicContact CG2-CG1 4.19Å; I21-V115 HydrophobicContact CG2-CG2 3.66Å; R22-V115 HydrophobicContact CG-CB 4.36Å; R22-V115 HydrophobicContact CG-CG2 4.01Å; S109-V115 CarbonylContact C-O 3.51Å; S109-V115 VanDerWaalsContact CB-O 3.24Å; S109-V115 WeakPolarHBondContact CB-O 3.1Å; S109-V115 PolarHBondContact OG-O 3.19Å; Q110-V115 WeakPolarHBondContact CA-O 3.33Å; Q110-V115 WeakPolarHBondContact CG-O 3.39Å; Q110-V115 PolarHBondContact N-O 3.06Å; Q110-V115 VanDerWaalsContact N-O 3.1Å; W113-V115 HydrophobicContact CB-CG2 4.12Å; W113-V115 PolarHBondContact O-N 2.86Å; V115-L341 HydrophobicContact CG1-CD1 3.44Å; V115-L341 VanDerWaalsContact CG1-CD1 3.44Å
116Q98.4Very high98.4Very high4 Ų414.9 Ų14.92%0.0198%0.078CC..  trans-85.7153170.9-63.8-168.938.200111N98 H106 Q110 T118N98-Q116 PolarHBondContact ND2-OE1 3.32Å; N98-Q116 PolarHBondContact OD1-NE2 3.3Å; N98-Q116 PolarHBondContact OD1-OE1 2.93Å; H106-Q116 HydrophobicContact CB-CB 4.06Å; H106-Q116 HydrophobicContact CB-CG 4.1Å; H106-Q116 PolarHBondContact CD2-OE1 3.27Å; Q110-Q116 HydrophobicContact CG-CG 3.75Å; Q116-T118 HydrophobicContact CB-CG2 4.23Å; Q116-T118 PolarHBondContact O-N 3.3Å; Q116-T118 PolarHBondContact O-OG1 2.86Å; Q116-T118 VanDerWaalsContact O-OG1 3.09Å
117D98.4Very high98.4Very high7 Ų717.7 Ų17.74%0.0379%0.091CC..  trans-70.659.5175.6-171.747000113.1N102 M105 H106 L120 V121 L122 R123N102-D117 PolarHBondContact ND2-O 2.93Å; N102-D117 PolarHBondContact ND2-OD2 3.07Å; M105-D117 HydrophobicContact CB-CB 3.7Å; M105-D117 WeakPolarHBondContact CB-OD2 3.27Å; H106-D117 PolarHBondContact CE1-O 3.1Å; H106-D117 VanDerWaalsContact CE1-O 3.28Å; H106-D117 PolarHBondContact ND1-N 3.05Å; H106-D117 VanDerWaalsContact ND1-N 3.18Å; D117-L120 PolarHBondContact O-N 3.35Å; D117-L120 WeakPolarHBondContact OD2-CA 3.33Å; D117-V121 PolarHBondContact OD1-N 3.5Å; D117-L122 PolarHBondContact OD1-N 2.93Å; D117-L122 PolarHBondContact OD2-N 2.76Å; D117-R123 PolarHBondContact OD2-N 3.13Å; D117-R123 VanDerWaalsContact OD2-N 3.1Å
118T97.1Very high98.3Very high58 Ų5818.2 Ų18.236%0.3569%0.094SC..THydrogen-bonded Turntrans-75.8-30.5-175.434.70000112.6R22 Q116 L120R22-T118 WeakPolarHBondContact CD-OG1 3.37Å; R22-T118 PolarHBondContact NH1-OG1 3.46Å; Q116-T118 HydrophobicContact CB-CG2 4.23Å; Q116-T118 PolarHBondContact O-N 3.3Å; Q116-T118 PolarHBondContact O-OG1 2.86Å; Q116-T118 VanDerWaalsContact O-OG1 3.09Å; T118-L120 PolarHBondContact O-N 3.25Å
119D97.3Very high98.3Very high71 Ų7118.2 Ų18.238%0.389%0.094SC..THydrogen-bonded Turntrans-884.4175.8-54.9-32.5000112.3R22 V121 K124R22-D119 VanDerWaalsContact CB-OD2 3.23Å; R22-D119 WeakPolarHBondContact CB-OD2 3.15Å; R22-D119 VanDerWaalsContact CD-OD2 3.28Å; R22-D119 WeakPolarHBondContact CD-OD2 3.42Å; R22-D119 IonicContact CZ-OD1 2.76Å; R22-D119 IonicContact CZ-OD2 2.66Å; R22-D119 IonicContact NE-OD2 3.81Å; R22-D119 PolarHBondContact NE-OD2 2.98Å; R22-D119 VanDerWaalsContact NH1-CG 3.3Å; R22-D119 IonicContact NH1-OD1 3.89Å; R22-D119 PolarHBondContact NH1-OD1 3.45Å; R22-D119 IonicContact NH1-OD2 2.87Å; R22-D119 PolarHBondContact NH1-OD2 2.97Å; D119-V121 VanDerWaalsContact C-N 3.3Å; D119-V121 HydrophobicContact CB-CG2 4.21Å; D119-V121 PolarHBondContact O-N 3.37Å; D119-K124 PolarHBondContact O-NZ 2.82Å
120L98.1Very high98.2Very high18 Ų1818.3 Ų18.39%0.0949%0.094CC..  trans60.431.7176.9-51.3176.3000113.7D117 T118 R123 K124 T177 Y188D117-L120 PolarHBondContact O-N 3.35Å; D117-L120 WeakPolarHBondContact OD2-CA 3.33Å; T118-L120 PolarHBondContact O-N 3.25Å; L120-R123 HydrophobicContact CB-CB 4.2Å; L120-R123 HydrophobicContact CD2-CB 4.49Å; L120-K124 HydrophobicContact CB-CD 4.3Å; L120-K124 HydrophobicContact CB-CG 4.33Å; L120-K124 WeakPolarHBondContact O-CB 3.46Å; L120-K124 WeakPolarHBondContact O-CD 3.33Å; L120-K124 WeakPolarHBondContact O-CG 3.42Å; L120-K124 PolarHBondContact O-N 3.43Å; L120-T177 HydrophobicContact CB-CG2 4.43Å; L120-T177 HydrophobicContact CD1-CG2 3.77Å; L120-Y188 HydrophobicContact CD1-CE1 3.86Å; L120-Y188 WeakPolarHBondContact CD1-OH 3.08Å; L120-Y188 HydrophobicContact CD2-CE1 4.31Å; L120-Y188 HydrophobicContact CD2-CE2 3.94Å
121V98.4Very high98.1Very high20 Ų2024.9 Ų24.912%0.12112%0.123CC..Hα-helixtrans-68-47.7-176.1179.10000110.3T25 P26 I29 D117 D119 A125T25-V121 HydrophobicContact CG2-CB 4.2Å; T25-V121 HydrophobicContact CG2-CG1 3.72Å; P26-V121 HydrophobicContact CB-CG1 4.07Å; P26-V121 HydrophobicContact CB-CG2 4.45Å; P26-V121 HydrophobicContact CG-CG2 4.46Å; I29-V121 HydrophobicContact CD1-CG1 3.75Å; D117-V121 PolarHBondContact OD1-N 3.5Å; D119-V121 VanDerWaalsContact C-N 3.3Å; D119-V121 HydrophobicContact CB-CG2 4.21Å; D119-V121 PolarHBondContact O-N 3.37Å; V121-A125 WeakPolarHBondContact O-CB 3.05Å; V121-A125 PolarHBondContact O-N 2.74Å
122L98.7Very high97.9Very high1 Ų131 Ų311%0.00515%0.152CC..Hα-helixtrans-68.1-42.8177-67.8178.8000111.1F40 M105 T108 W113 D117 K124 A125 L126 L199 L203F40-L122 HydrophobicContact CE2-CD2 3.52Å; F40-L122 HydrophobicContact CZ-CD2 3.57Å; M105-L122 HydrophobicContact CB-CB 4.1Å; M105-L122 HydrophobicContact CG-CB 4.13Å; M105-L122 HydrophobicContact SD-CB 3.6Å; T108-L122 HydrophobicContact CG2-CD1 4.48Å; W113-L122 HydrophobicContact CH2-CD2 4.13Å; W113-L122 HydrophobicContact CZ3-CD1 4.28Å; W113-L122 HydrophobicContact CZ3-CD2 4.49Å; W113-L122 HydrophobicContact CZ3-CG 4.41Å; D117-L122 PolarHBondContact OD1-N 2.93Å; D117-L122 PolarHBondContact OD2-N 2.76Å; L122-K124 PolarHBondContact O-N 2.78Å; L122-A125 PolarHBondContact O-N 2.89Å; L122-L126 PolarHBondContact O-N 2.86Å; L122-L199 HydrophobicContact CD2-CD1 4.48Å; L122-L203 HydrophobicContact CD2-CD2 4.28Å
123R98.4Very high97.6Very high0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-58.5-46.6176.7-174.858.4171.3-107.36.9112.3G101 N102 M105 D117 L120 L126 F127 M174 A175 S176 T177 N189G101-R123 PolarHBondContact O-NH1 3.07Å; N102-R123 WeakPolarHBondContact OD1-CD 3.45Å; N102-R123 PolarHBondContact OD1-NH1 2.77Å; N102-R123 VanDerWaalsContact OD1-NH1 3.15Å; M105-R123 HydrophobicContact CG-CB 4.18Å; D117-R123 PolarHBondContact OD2-N 3.13Å; D117-R123 VanDerWaalsContact OD2-N 3.1Å; L120-R123 HydrophobicContact CB-CB 4.2Å; L120-R123 HydrophobicContact CD2-CB 4.49Å; R123-L126 PolarHBondContact O-N 3.44Å; R123-F127 PolarHBondContact O-N 3.02Å; R123-M174 PolarHBondContact NH2-O 3.34Å; R123-A175 WeakPolarHBondContact CD-O 3.39Å; R123-A175 PolarHBondContact NE-O 2.79Å; R123-S176 PolarHBondContact NE-O 2.78Å; R123-S176 PolarHBondContact NH2-O 2.94Å; R123-T177 HydrophobicContact CG-CG2 3.98Å; R123-N189 PolarHBondContact NH1-O 3.03Å; R123-N189 PolarHBondContact NH2-O 3.5Å
124K98.4Very high97.4Very high111 Ų11137 Ų3748%0.48319%0.185SC..Hα-helixtrans-67-37.9176.8-72.4166.5-176.9160.70112.1D119 L120 L122 F127 S128 T177D119-K124 PolarHBondContact O-NZ 2.82Å; L120-K124 HydrophobicContact CB-CD 4.3Å; L120-K124 HydrophobicContact CB-CG 4.33Å; L120-K124 WeakPolarHBondContact O-CB 3.46Å; L120-K124 WeakPolarHBondContact O-CD 3.33Å; L120-K124 WeakPolarHBondContact O-CG 3.42Å; L120-K124 PolarHBondContact O-N 3.43Å; L122-K124 PolarHBondContact O-N 2.78Å; K124-F127 PolarHBondContact O-N 2.81Å; K124-S128 WeakPolarHBondContact O-CB 2.98Å; K124-S128 PolarHBondContact O-N 3.48Å; K124-T177 HydrophobicContact CG-CG2 4.15Å
125A98.3Very high97.4Very high8 Ų838 Ų387%0.06619%0.191CC..Hα-helixtrans-63.7-41176.300000112.1I29 V121 L122 T129 I202I29-A125 HydrophobicContact CD1-CB 4.13Å; V121-A125 WeakPolarHBondContact O-CB 3.05Å; V121-A125 PolarHBondContact O-N 2.74Å; L122-A125 PolarHBondContact O-N 2.89Å; A125-T129 WeakPolarHBondContact O-CB 3.39Å; A125-T129 PolarHBondContact O-N 2.96Å; A125-T129 PolarHBondContact O-OG1 3.03Å; A125-I202 HydrophobicContact CB-CG2 4.49Å
126L98.6Very high97.3Very high0 Ų046.7 Ų46.70%022%0.224CC..Hα-helixtrans-60.1-52.7172.4173.969.5000111.2M105 L122 R123 T129 L130 A175 L191 H195 V198 I202M105-L126 HydrophobicContact CE-CB 3.7Å; M105-L126 HydrophobicContact CE-CD2 3.22Å; M105-L126 HydrophobicContact CE-CG 4.01Å; L122-L126 PolarHBondContact O-N 2.86Å; R123-L126 PolarHBondContact O-N 3.44Å; L126-T129 WeakPolarHBondContact O-CB 3.32Å; L126-T129 PolarHBondContact O-N 3.44Å; L126-L130 HydrophobicContact CD1-CD1 4.05Å; L126-L130 HydrophobicContact CG-CD1 4.2Å; L126-L130 PolarHBondContact O-N 3.44Å; L126-A175 HydrophobicContact CD2-CB 4.08Å; L126-A175 HydrophobicContact CG-CB 4.19Å; L126-L191 HydrophobicContact CD2-CD1 3.83Å; L126-L191 HydrophobicContact CD2-CD2 4.47Å; L126-H195 HydrophobicContact CD1-CB 4.45Å; L126-H195 HydrophobicContact CD2-CB 3.89Å; L126-V198 HydrophobicContact CD1-CB 3.61Å; L126-V198 HydrophobicContact CD1-CG1 3.59Å; L126-I202 HydrophobicContact CB-CD1 4.32Å
127F98.4Very high97.2Very high61 Ų6150 Ų5027%0.26824%0.241SC..Hα-helixtrans-62.4-46.6-178.8-178.3-116.5000112.6R123 K124 T129 L130 K131 I172 A175R123-F127 PolarHBondContact O-N 3.02Å; K124-F127 PolarHBondContact O-N 2.81Å; F127-T129 VanDerWaalsContact C-N 3.3Å; F127-T129 PolarHBondContact O-N 3.12Å; F127-L130 PolarHBondContact O-N 2.99Å; F127-L130 VanDerWaalsContact O-N 3.16Å; F127-K131 HydrophobicContact CE2-CB 4.47Å; F127-K131 HydrophobicContact CZ-CB 4.41Å; F127-K131 HydrophobicContact CZ-CG 4.36Å; F127-K131 VanDerWaalsContact O-CB 3.24Å; F127-K131 WeakPolarHBondContact O-CB 3.42Å; F127-K131 PolarHBondContact O-N 3.17Å; F127-I172 WeakPolarHBondContact CD2-O 3.38Å; F127-I172 HydrophobicContact CE2-CG2 4.12Å; F127-I172 VanDerWaalsContact CE2-O 3.3Å; F127-I172 WeakPolarHBondContact CE2-O 3.26Å; F127-A175 HydrophobicContact CB-CB 4.32Å; F127-A175 WeakPolarHBondContact CB-O 3.43Å; F127-A175 HydrophobicContact CD2-CB 4.07Å
128S97.6Very high97.2Very high10 Ų1049.9 Ų49.97%0.0724%0.24CC..Hα-helixtrans-57.5-43175.7162.70000110.9H38 K124 L130 K131 E132H38-S128 PolarHBondContact CE1-OG 3.27Å; H38-S128 VanDerWaalsContact CE1-OG 3.27Å; H38-S128 PolarHBondContact ND1-OG 3.15Å; K124-S128 WeakPolarHBondContact O-CB 2.98Å; K124-S128 PolarHBondContact O-N 3.48Å; S128-L130 PolarHBondContact O-N 3.28Å; S128-K131 PolarHBondContact O-N 3.22Å; S128-E132 WeakPolarHBondContact O-CA 3.39Å; S128-E132 WeakPolarHBondContact O-CB 3.45Å; S128-E132 WeakPolarHBondContact O-CG 3.42Å; S128-E132 PolarHBondContact O-N 2.88Å; S128-E132 VanDerWaalsContact OG-CD 3.32Å; S128-E132 PolarHBondContact OG-OE2 2.95Å
129T97.7Very high97.3Very high0 Ų048.7 Ų48.70%023%0.23CC..Hα-helixtrans-58-52.6173.9-62.70000111.4I37 A125 L126 F127 K131 T133 F138 V198I37-T129 HydrophobicContact CD1-CG2 3.55Å; I37-T129 HydrophobicContact CG1-CG2 3.63Å; A125-T129 WeakPolarHBondContact O-CB 3.39Å; A125-T129 PolarHBondContact O-N 2.96Å; A125-T129 PolarHBondContact O-OG1 3.03Å; L126-T129 WeakPolarHBondContact O-CB 3.32Å; L126-T129 PolarHBondContact O-N 3.44Å; F127-T129 VanDerWaalsContact C-N 3.3Å; F127-T129 PolarHBondContact O-N 3.12Å; T129-K131 VanDerWaalsContact C-N 3.27Å; T129-K131 PolarHBondContact O-N 3.21Å; T129-T133 WeakPolarHBondContact O-CB 3.26Å; T129-T133 PolarHBondContact O-N 3.45Å; T129-T133 PolarHBondContact O-OG1 3.15Å; T129-F138 HydrophobicContact CG2-CE2 4.41Å; T129-V198 HydrophobicContact CG2-CG1 3.73Å
130L97.6Very high97.3Very high6 Ų650.4 Ų50.43%0.03123%0.234CC..Hα-helixtrans-66.2-29-176.5-77.3173.1000113.4L126 F127 S128 T135 W168 I172 A175 V198L126-L130 HydrophobicContact CD1-CD1 4.05Å; L126-L130 HydrophobicContact CG-CD1 4.2Å; L126-L130 PolarHBondContact O-N 3.44Å; F127-L130 PolarHBondContact O-N 2.99Å; F127-L130 VanDerWaalsContact O-N 3.16Å; S128-L130 PolarHBondContact O-N 3.28Å; L130-T135 HydrophobicContact CD2-CG2 4.13Å; L130-T135 WeakPolarHBondContact O-CG2 3.42Å; L130-W168 HydrophobicContact CD2-CH2 4.23Å; L130-W168 HydrophobicContact CD2-CZ2 3.95Å; L130-I172 HydrophobicContact CB-CG1 4.23Å; L130-I172 HydrophobicContact CB-CG2 4.36Å; L130-A175 HydrophobicContact CD1-CB 3.73Å; L130-V198 HydrophobicContact CD2-CG2 3.97Å
131K96.5Very high97.3Very high141 Ų14150 Ų5061%0.61323%0.232SC*.Hα-helixtrans-94.3-37.5-174.9-172.261.5177.91790114.1F127 S128 T129 I172F127-K131 HydrophobicContact CE2-CB 4.47Å; F127-K131 HydrophobicContact CZ-CB 4.41Å; F127-K131 HydrophobicContact CZ-CG 4.36Å; F127-K131 VanDerWaalsContact O-CB 3.24Å; F127-K131 WeakPolarHBondContact O-CB 3.42Å; F127-K131 PolarHBondContact O-N 3.17Å; S128-K131 PolarHBondContact O-N 3.22Å; T129-K131 VanDerWaalsContact C-N 3.27Å; T129-K131 PolarHBondContact O-N 3.21Å; K131-I172 HydrophobicContact CB-CG2 4.39Å; K131-I172 HydrophobicContact CD-CG2 4.08Å
132E93.9Very high97.2Very high130 Ų13050 Ų5061%0.60723%0.23SC*.Hα-helixtrans-107.2-14.9-166.3-56.6166.7-17800113S128S128-E132 WeakPolarHBondContact O-CA 3.39Å; S128-E132 WeakPolarHBondContact O-CB 3.45Å; S128-E132 WeakPolarHBondContact O-CG 3.42Å; S128-E132 PolarHBondContact O-N 2.88Å; S128-E132 VanDerWaalsContact OG-CD 3.32Å; S128-E132 PolarHBondContact OG-OE2 2.95Å
133T93.9Very high97Very high35 Ų3552.2 Ų52.222%0.21524%0.24CC..SBendtrans-111.4169.2-177.577.30000112.4T129 T135T129-T133 WeakPolarHBondContact O-CB 3.26Å; T129-T133 PolarHBondContact O-N 3.45Å; T129-T133 PolarHBondContact O-OG1 3.15Å; T133-T135 PolarHBondContact O-N 3.17Å
134D93.6Very high96.8Very high94 Ų9453.6 Ų53.650%0.50325%0.247SC..  trans-71.2111.4175178.819.4000111.3R136D134-R136 VanDerWaalsContact CG-NE 3.29Å; D134-R136 WeakPolarHBondContact OD1-CB 3.36Å; D134-R136 WeakPolarHBondContact OD1-CG 3.5Å; D134-R136 IonicContact OD1-CZ 2.81Å; D134-R136 PolarHBondContact OD1-N 2.75Å; D134-R136 VanDerWaalsContact OD1-N 3.11Å; D134-R136 IonicContact OD1-NE 2.77Å; D134-R136 PolarHBondContact OD1-NE 3.04Å; D134-R136 IonicContact OD1-NH2 3.09Å; D134-R136 IonicContact OD2-CZ 3.73Å; D134-R136 VanDerWaalsContact OD2-CZ 3.25Å; D134-R136 IonicContact OD2-NE 2.82Å; D134-R136 PolarHBondContact OD2-NE 3.37Å; D134-R136 IonicContact OD2-NH2 3.72Å; D134-R136 PolarHBondContact OD2-NH2 3.24Å
135T96.8Very high96.6Very high21 Ų2149.8 Ų49.813%0.12923%0.231CC..  trans-101.27.2-177.455.60000114.4L130 T133 N137 F138 K139 W168L130-T135 HydrophobicContact CD2-CG2 4.13Å; L130-T135 WeakPolarHBondContact O-CG2 3.42Å; T133-T135 PolarHBondContact O-N 3.17Å; T135-N137 VanDerWaalsContact C-N 3.27Å; T135-N137 PolarHBondContact O-N 2.91Å; T135-F138 WeakPolarHBondContact O-CB 3.31Å; T135-F138 PolarHBondContact O-N 2.89Å; T135-K139 PolarHBondContact O-N 2.99Å; T135-W168 HydrophobicContact CG2-CZ2 4.37Å; T135-W168 PolarHBondContact OG1-NE1 3.3Å
136R96.4Very high96.2Very high185 Ų18550.5 Ų50.570%0.69824%0.235SC*.Hα-helixtrans-54.7-40.3-175.4-73.4175.3-66.9177.30.4113.3D134 F140D134-R136 VanDerWaalsContact CG-NE 3.29Å; D134-R136 WeakPolarHBondContact OD1-CB 3.36Å; D134-R136 WeakPolarHBondContact OD1-CG 3.5Å; D134-R136 IonicContact OD1-CZ 2.81Å; D134-R136 PolarHBondContact OD1-N 2.75Å; D134-R136 VanDerWaalsContact OD1-N 3.11Å; D134-R136 IonicContact OD1-NE 2.77Å; D134-R136 PolarHBondContact OD1-NE 3.04Å; D134-R136 IonicContact OD1-NH2 3.09Å; D134-R136 IonicContact OD2-CZ 3.73Å; D134-R136 VanDerWaalsContact OD2-CZ 3.25Å; D134-R136 IonicContact OD2-NE 2.82Å; D134-R136 PolarHBondContact OD2-NE 3.37Å; D134-R136 IonicContact OD2-NH2 3.72Å; D134-R136 PolarHBondContact OD2-NH2 3.24Å; R136-F140 WeakPolarHBondContact O-CB 3.1Å; R136-F140 PolarHBondContact O-N 3.37Å
137N97.8Very high95.7Very high73 Ų7354.8 Ų54.839%0.3926%0.258SS..Hα-helixtrans-69.6-40178.7-166.9-75.9000112.2T135 F140 R141 H237T135-N137 VanDerWaalsContact C-N 3.27Å; T135-N137 PolarHBondContact O-N 2.91Å; N137-F140 PolarHBondContact O-N 3.04Å; N137-R141 WeakPolarHBondContact O-CG 3.42Å; N137-R141 PolarHBondContact O-N 3.22Å; N137-R141 VanDerWaalsContact O-N 3.09Å; N137-R141 WeakPolarHBondContact OD1-CD 3.47Å; N137-R141 PolarHBondContact OD1-NE 3.02Å; N137-H237 PolarHBondContact OD1-NE2 3.11Å
138F98.3Very high95Very high4 Ų457 Ų572%0.01827%0.268CS..Hα-helixtrans-62-47.4174-71.5-58.1000111.5I37 T129 T135 F140 R141 W142 W168 F197 V198 N201 H237I37-F138 HydrophobicContact CD1-CE2 4.21Å; I37-F138 HydrophobicContact CD1-CZ 3.98Å; T129-F138 HydrophobicContact CG2-CE2 4.41Å; T135-F138 WeakPolarHBondContact O-CB 3.31Å; T135-F138 PolarHBondContact O-N 2.89Å; F138-F140 PolarHBondContact O-N 3.47Å; F138-R141 PolarHBondContact O-N 2.96Å; F138-W142 WeakPolarHBondContact O-CB 3.38Å; F138-W142 PolarHBondContact O-N 2.81Å; F138-W168 HydrophobicContact CB-CH2 3.77Å; F138-W168 HydrophobicContact CB-CZ2 4.14Å; F138-F197 AromaticContact CD1-CD1 3.58Å; F138-F197 HydrophobicContact CD1-CD1 3.58Å; F138-F197 AromaticContact CD1-CE1 3.58Å; F138-F197 HydrophobicContact CD1-CE1 3.58Å; F138-F197 AromaticContact CE1-CD1 3.68Å; F138-F197 HydrophobicContact CE1-CD1 3.68Å; F138-F197 AromaticContact CE1-CE1 3.62Å; F138-F197 HydrophobicContact CE1-CE1 3.62Å; F138-V198 HydrophobicContact CD1-CG2 3.74Å; F138-V198 HydrophobicContact CD2-CG2 4.15Å; F138-V198 HydrophobicContact CE1-CB 4.34Å; F138-V198 HydrophobicContact CE1-CG2 3.78Å; F138-V198 HydrophobicContact CE2-CG1 4.25Å; F138-V198 HydrophobicContact CE2-CG2 4.19Å; F138-V198 HydrophobicContact CG-CG2 3.94Å; F138-V198 HydrophobicContact CZ-CB 4.32Å; F138-V198 HydrophobicContact CZ-CG1 4.12Å; F138-V198 HydrophobicContact CZ-CG2 4Å; F138-N201 HydrophobicContact CZ-CB 4.21Å; F138-H237 AromaticContact CD1-CE1 3.46Å; F138-H237 VanDerWaalsContact CD1-CE1 3.46Å; F138-H237 WeakPolarHBondContact CD1-CE1 3.46Å; F138-H237 AromaticContact CD2-CE1 3.8Å; F138-H237 AromaticContact CE1-CE1 3.18Å; F138-H237 WeakPolarHBondContact CE1-CE1 3.28Å; F138-H237 AromaticContact CE1-ND1 3.52Å; F138-H237 AromaticContact CE1-NE2 3.86Å; F138-H237 AromaticContact CE2-CE1 3.54Å; F138-H237 AromaticContact CE2-ND1 3.62Å; F138-H237 AromaticContact CG-CE1 3.76Å; F138-H237 AromaticContact CZ-CE1 3.22Å; F138-H237 WeakPolarHBondContact CZ-CE1 3.18Å; F138-H237 AromaticContact CZ-ND1 3.17Å; F138-H237 WeakPolarHBondContact CZ-ND1 3.41Å
139K98Very high94.1Very high33 Ų3357.4 Ų57.414%0.14327%0.27CS..Hα-helixtrans-59.9-45.5177.6-174.5173.5-177.4165.50112T135 R141 W142 Q143 W164 N165 W168T135-K139 PolarHBondContact O-N 2.99Å; K139-R141 PolarHBondContact O-N 3.37Å; K139-W142 HydrophobicContact CG-CE3 4.32Å; K139-W142 PolarHBondContact O-N 3.13Å; K139-Q143 HydrophobicContact CG-CG 4.46Å; K139-Q143 VanDerWaalsContact O-CG 3.3Å; K139-Q143 WeakPolarHBondContact O-CG 3.4Å; K139-Q143 PolarHBondContact O-N 2.74Å; K139-W164 WeakPolarHBondContact CE-O 3.02Å; K139-W164 PolarHBondContact NZ-O 3.2Å; K139-N165 PolarHBondContact NZ-OD1 3.41Å; K139-W168 HydrophobicContact CB-CD2 3.84Å; K139-W168 HydrophobicContact CB-CE3 4.03Å; K139-W168 HydrophobicContact CB-CG 4.42Å; K139-W168 HydrophobicContact CB-CH2 4.3Å; K139-W168 HydrophobicContact CB-CZ2 4.11Å; K139-W168 HydrophobicContact CB-CZ3 4.25Å; K139-W168 HydrophobicContact CD-CB 4.1Å; K139-W168 HydrophobicContact CD-CD2 3.98Å; K139-W168 HydrophobicContact CD-CG 3.68Å; K139-W168 HydrophobicContact CG-CB 4.47Å; K139-W168 HydrophobicContact CG-CD2 3.76Å; K139-W168 HydrophobicContact CG-CE3 3.96Å; K139-W168 HydrophobicContact CG-CG 3.97Å
140F97.5Very high92.5Very high107 Ų10762.9 Ų62.947%0.46930%0.296SS..Hα-helixtrans-58.6-47.8177.5172.5-106.3000112.3R136 N137 F138 W142 Q143 L144 T292R136-F140 WeakPolarHBondContact O-CB 3.1Å; R136-F140 PolarHBondContact O-N 3.37Å; N137-F140 PolarHBondContact O-N 3.04Å; F138-F140 PolarHBondContact O-N 3.47Å; F140-W142 PolarHBondContact O-N 3.02Å; F140-Q143 PolarHBondContact O-N 3.07Å; F140-L144 PolarHBondContact O-N 3.24Å; F140-T292 HydrophobicContact CD1-CG2 4.39Å; F140-T292 HydrophobicContact CE1-CG2 3.81Å
141R98.1Very high91Very high11 Ų1167.2 Ų67.24%0.04232%0.316CS..Hα-helixtrans-64.5-40.5178.5-68.9172.8179-81.2-1.9112.1N137 F138 K139 L144 E145 F290 T292 E295N137-R141 WeakPolarHBondContact O-CG 3.42Å; N137-R141 PolarHBondContact O-N 3.22Å; N137-R141 VanDerWaalsContact O-N 3.09Å; N137-R141 WeakPolarHBondContact OD1-CD 3.47Å; N137-R141 PolarHBondContact OD1-NE 3.02Å; F138-R141 PolarHBondContact O-N 2.96Å; K139-R141 PolarHBondContact O-N 3.37Å; R141-L144 PolarHBondContact O-N 2.75Å; R141-E145 PolarHBondContact O-N 2.93Å; R141-E145 VanDerWaalsContact O-N 3.07Å; R141-F290 HydrophobicContact CB-CB 4.01Å; R141-F290 HydrophobicContact CB-CD1 4.45Å; R141-F290 WeakPolarHBondContact CD-O 3.44Å; R141-F290 WeakPolarHBondContact CG-O 3.48Å; R141-F290 PolarHBondContact NH1-O 2.76Å; R141-T292 HydrophobicContact CG-CG2 4.42Å; R141-E295 IonicContact CZ-OE1 3.25Å; R141-E295 IonicContact CZ-OE2 3.12Å; R141-E295 IonicContact NH1-OE1 3.6Å; R141-E295 PolarHBondContact NH1-OE1 3.36Å; R141-E295 IonicContact NH1-OE2 3.21Å; R141-E295 PolarHBondContact NH1-OE2 2.68Å; R141-E295 IonicContact NH2-OE1 3.97Å; R141-E295 PolarHBondContact NH2-OE1 3.22Å; R141-E295 IonicContact NH2-OE2 3.62Å; R141-E295 PolarHBondContact NH2-OE2 3.14Å
142W97.1Very high89.8Confident19 Ų1961.9 Ų61.97%0.07229%0.293CS..Hα-helixtrans-61.8-47.7175.1167.178000111.7F138 K139 F140 L144 E145 S146 W164 E167 W168 L171 I194 F290F138-W142 WeakPolarHBondContact O-CB 3.38Å; F138-W142 PolarHBondContact O-N 2.81Å; K139-W142 HydrophobicContact CG-CE3 4.32Å; K139-W142 PolarHBondContact O-N 3.13Å; F140-W142 PolarHBondContact O-N 3.02Å; W142-L144 VanDerWaalsContact C-N 3.32Å; W142-L144 PolarHBondContact O-N 3.47Å; W142-E145 PolarHBondContact O-N 3.44Å; W142-S146 WeakPolarHBondContact O-CB 3.49Å; W142-S146 PolarHBondContact O-N 2.97Å; W142-S146 PolarHBondContact O-OG 3.44Å; W142-S146 VanDerWaalsContact O-OG 3.05Å; W142-W164 HydrophobicContact CE3-CE3 4.29Å; W142-W164 HydrophobicContact CE3-CZ3 4.41Å; W142-W164 AromaticContact CH2-CE3 3.39Å; W142-W164 HydrophobicContact CH2-CE3 3.39Å; W142-W164 AromaticContact CH2-CZ3 3.6Å; W142-W164 HydrophobicContact CH2-CZ3 3.6Å; W142-W164 HydrophobicContact CZ2-CE3 4.33Å; W142-W164 HydrophobicContact CZ2-CZ3 4.1Å; W142-W164 HydrophobicContact CZ3-CD2 4.48Å; W142-W164 AromaticContact CZ3-CE3 3.37Å; W142-W164 HydrophobicContact CZ3-CE3 3.37Å; W142-W164 AromaticContact CZ3-CZ3 3.78Å; W142-W164 HydrophobicContact CZ3-CZ3 3.78Å; W142-E167 HydrophobicContact CH2-CB 3.71Å; W142-E167 HydrophobicContact CZ2-CB 4.15Å; W142-W168 HydrophobicContact CB-CZ3 3.97Å; W142-W168 AromaticContact CD2-CE3 3.97Å; W142-W168 HydrophobicContact CD2-CE3 3.97Å; W142-W168 HydrophobicContact CD2-CZ3 4.12Å; W142-W168 AromaticContact CE3-CE3 3.64Å; W142-W168 HydrophobicContact CE3-CE3 3.64Å; W142-W168 HydrophobicContact CE3-CZ3 4.14Å; W142-W168 HydrophobicContact CG-CE3 4.38Å; W142-W168 HydrophobicContact CG-CZ3 4.03Å; W142-W168 HydrophobicContact CZ3-CB 4.36Å; W142-W168 HydrophobicContact CZ3-CE3 4.1Å; W142-L171 HydrophobicContact CD2-CD1 4.11Å; W142-L171 VanDerWaalsContact CE2-CD1 3.49Å; W142-L171 HydrophobicContact CH2-CD1 4.34Å; W142-L171 HydrophobicContact CZ2-CD1 3.65Å; W142-I194 HydrophobicContact CB-CD1 3.95Å; W142-I194 HydrophobicContact CB-CG1 4.16Å; W142-I194 HydrophobicContact CG-CG1 4.48Å; W142-F290 HydrophobicContact CB-CE1 4.33Å
143Q94.6Very high88.9Confident48 Ų4860.6 Ų60.622%0.22429%0.294CS..Hα-helixtrans-57.1-45.1175.8-73.1176.1-53.300111.9K139 F140 E145 S146 L147 W164K139-Q143 HydrophobicContact CG-CG 4.46Å; K139-Q143 VanDerWaalsContact O-CG 3.3Å; K139-Q143 WeakPolarHBondContact O-CG 3.4Å; K139-Q143 PolarHBondContact O-N 2.74Å; F140-Q143 PolarHBondContact O-N 3.07Å; Q143-E145 PolarHBondContact O-N 3.39Å; Q143-S146 PolarHBondContact O-N 2.96Å; Q143-L147 WeakPolarHBondContact O-CB 3.28Å; Q143-L147 VanDerWaalsContact O-CG 3.28Å; Q143-L147 WeakPolarHBondContact O-CG 3.47Å; Q143-L147 PolarHBondContact O-N 3.22Å; Q143-W164 HydrophobicContact CB-CZ3 4.48Å; Q143-W164 HydrophobicContact CG-CD2 3.9Å; Q143-W164 HydrophobicContact CG-CE3 3.71Å; Q143-W164 HydrophobicContact CG-CG 4.42Å; Q143-W164 HydrophobicContact CG-CZ3 4.06Å; Q143-W164 VanDerWaalsContact NE2-CB 3.34Å
144L93.6Very high87.9Confident29 Ų2965.5 Ų65.515%0.15231%0.314CS..Hα-helixtrans-61.8-43.5179.6-175.863.4000112F140 R141 W142 K148 L291F140-L144 PolarHBondContact O-N 3.24Å; R141-L144 PolarHBondContact O-N 2.75Å; W142-L144 VanDerWaalsContact C-N 3.32Å; W142-L144 PolarHBondContact O-N 3.47Å; L144-K148 HydrophobicContact CG-CD 4.5Å; L144-K148 WeakPolarHBondContact O-CG 3.33Å; L144-K148 PolarHBondContact O-N 3.06Å; L144-L291 WeakPolarHBondContact CD2-O 3.23Å
145E94Very high87.1Confident30 Ų3065.7 Ų65.714%0.1432%0.319CS..Hα-helixtrans-69.2-39.4177.1-175162128.700112.3R141 W142 Q143 K148 S149 K287 H289 F290R141-E145 PolarHBondContact O-N 2.93Å; R141-E145 VanDerWaalsContact O-N 3.07Å; W142-E145 PolarHBondContact O-N 3.44Å; Q143-E145 PolarHBondContact O-N 3.39Å; E145-K148 PolarHBondContact O-N 2.71Å; E145-S149 PolarHBondContact O-N 2.84Å; E145-K287 WeakPolarHBondContact OE1-CE 3.13Å; E145-K287 IonicContact OE1-NZ 2.71Å; E145-K287 PolarHBondContact OE1-NZ 3.13Å; E145-K287 WeakPolarHBondContact OE2-CE 3.48Å; E145-K287 IonicContact OE2-NZ 3.25Å; E145-H289 IonicContact OE1-CE1 3.03Å; E145-H289 IonicContact OE1-CG 2.97Å; E145-H289 IonicContact OE1-ND1 2.97Å; E145-H289 PolarHBondContact OE1-ND1 2.95Å; E145-H289 WeakPolarHBondContact OE2-CA 3.44Å; E145-H289 IonicContact OE2-CG 3.88Å; E145-H289 IonicContact OE2-ND1 3.69Å; E145-F290 HydrophobicContact CB-CD1 3.88Å; E145-F290 HydrophobicContact CB-CE1 3.98Å; E145-F290 HydrophobicContact CG-CD1 4.48Å; E145-F290 HydrophobicContact CG-CE1 4.34Å; E145-F290 PolarHBondContact OE2-N 3.33Å
146S90.5Very high86.1Confident23 Ų2367.2 Ų67.216%0.16134%0.339CS..Hα-helixtrans-61.7-43.6176.1-65.80000112W142 Q143 K148 S149 F152W142-S146 WeakPolarHBondContact O-CB 3.49Å; W142-S146 PolarHBondContact O-N 2.97Å; W142-S146 PolarHBondContact O-OG 3.44Å; W142-S146 VanDerWaalsContact O-OG 3.05Å; Q143-S146 PolarHBondContact O-N 2.96Å; S146-K148 VanDerWaalsContact C-N 3.32Å; S146-K148 PolarHBondContact O-N 2.58Å; S146-S149 WeakPolarHBondContact O-CB 3.14Å; S146-S149 PolarHBondContact O-N 3.09Å; S146-S149 PolarHBondContact O-OG 3.37Å; S146-F152 WeakPolarHBondContact O-CD2 3.3Å
147L87.5Confident85.2Confident91 Ų9162.3 Ų62.348%0.47633%0.326SS..Hα-helixtrans-64.2-34.1176.4-75170.1000113.1Q143 S149 F152 W164Q143-L147 WeakPolarHBondContact O-CB 3.28Å; Q143-L147 VanDerWaalsContact O-CG 3.28Å; Q143-L147 WeakPolarHBondContact O-CG 3.47Å; Q143-L147 PolarHBondContact O-N 3.22Å; L147-S149 PolarHBondContact O-N 2.95Å; L147-F152 HydrophobicContact CD2-CD1 4.31Å; L147-W164 HydrophobicContact CD2-CH2 4.45Å; L147-W164 HydrophobicContact CD2-CZ2 3.86Å; L147-W164 HydrophobicContact CG-CH2 4.28Å; L147-W164 HydrophobicContact CG-CZ2 3.97Å
148K83.6Confident84.2Confident108 Ų10864.4 Ų64.447%0.4735%0.345SS..THydrogen-bonded Turntrans-76.2-9.9175-71.5174.9-178178.80112.7L144 E145 S146 D293L144-K148 HydrophobicContact CG-CD 4.5Å; L144-K148 WeakPolarHBondContact O-CG 3.33Å; L144-K148 PolarHBondContact O-N 3.06Å; E145-K148 PolarHBondContact O-N 2.71Å; S146-K148 VanDerWaalsContact C-N 3.32Å; S146-K148 PolarHBondContact O-N 2.58Å; K148-D293 IonicContact NZ-OD1 3.03Å; K148-D293 PolarHBondContact NZ-OD1 2.76Å
149S79.1Confident83.4Confident18 Ų1867.4 Ų67.413%0.12636%0.357CS..SBendtrans-72.8143.3-17883.50000111.2E145 S146 L147 E151 F152 V153E145-S149 PolarHBondContact O-N 2.84Å; S146-S149 WeakPolarHBondContact O-CB 3.14Å; S146-S149 PolarHBondContact O-N 3.09Å; S146-S149 PolarHBondContact O-OG 3.37Å; L147-S149 PolarHBondContact O-N 2.95Å; S149-E151 PolarHBondContact O-N 3.21Å; S149-F152 PolarHBondContact O-N 2.81Å; S149-V153 PolarHBondContact O-N 3.36Å
150Q63.8Low82.7Confident114 Ų11470 Ų7053%0.53337%0.372SS..Hα-helixtrans-58.2-33.1-175.1-164.4163.712.800112.5V153 E154Q150-V153 PolarHBondContact O-N 3.04Å; Q150-E154 HydrophobicContact CG-CG 4.04Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.23Å; Q150-E154 PolarHBondContact NE2-OE1 2.99Å; Q150-E154 VanDerWaalsContact O-CB 3.25Å; Q150-E154 WeakPolarHBondContact O-CB 3.35Å; Q150-E154 VanDerWaalsContact O-CG 3.3Å; Q150-E154 WeakPolarHBondContact O-CG 3.25Å; Q150-E154 PolarHBondContact O-N 3.08Å
151E67.3Low82.2Confident97 Ų9770 Ų7045%0.45338%0.382SS..Hα-helixtrans-59.5-47.4174-77.5153-140.200112.8S149 T155 K228S149-E151 PolarHBondContact O-N 3.21Å; E151-T155 VanDerWaalsContact O-CB 3.24Å; E151-T155 WeakPolarHBondContact O-CB 3.3Å; E151-T155 WeakPolarHBondContact O-CG2 3.17Å; E151-T155 PolarHBondContact O-N 3.36Å; E151-T155 PolarHBondContact O-OG1 3.15Å; E151-K228 WeakPolarHBondContact OE1-CE 3.03Å; E151-K228 IonicContact OE1-NZ 3.83Å; E151-K228 PolarHBondContact OE1-NZ 3.25Å; E151-K228 IonicContact OE2-NZ 2.84Å; E151-K228 PolarHBondContact OE2-NZ 3.06Å
152F71.2Confident81.7Confident30 Ų3077.9 Ų77.913%0.13241%0.411CS..Hα-helixtrans-66.8-41-179.8-91-99.5000111.7S146 L147 S149 G156 L157 Y159 W164S146-F152 WeakPolarHBondContact O-CD2 3.3Å; L147-F152 HydrophobicContact CD2-CD1 4.31Å; S149-F152 PolarHBondContact O-N 2.81Å; F152-G156 PolarHBondContact O-N 2.88Å; F152-L157 HydrophobicContact CD1-CB 4.39Å; F152-L157 HydrophobicContact CD1-CD2 4.44Å; F152-L157 HydrophobicContact CE1-CD2 4.06Å; F152-L157 HydrophobicContact CE1-CG 4.34Å; F152-L157 HydrophobicContact CZ-CD2 4.13Å; F152-Y159 HydrophobicContact CE1-CD1 4.02Å; F152-Y159 HydrophobicContact CE1-CD2 4.12Å; F152-Y159 HydrophobicContact CE1-CE1 4.25Å; F152-Y159 HydrophobicContact CE1-CE2 4.3Å; F152-Y159 AromaticContact CE1-CG 3.96Å; F152-Y159 HydrophobicContact CE1-CG 3.96Å; F152-Y159 HydrophobicContact CZ-CD1 4.36Å; F152-Y159 HydrophobicContact CZ-CD2 4.02Å; F152-Y159 HydrophobicContact CZ-CE1 4.2Å; F152-Y159 AromaticContact CZ-CE2 3.79Å; F152-Y159 HydrophobicContact CZ-CE2 3.79Å; F152-Y159 HydrophobicContact CZ-CG 4.28Å; F152-Y159 AromaticContact CZ-CZ 3.88Å; F152-W164 AromaticContact CE1-CH2 3.84Å; F152-W164 HydrophobicContact CE1-CH2 3.84Å; F152-W164 HydrophobicContact CE1-CZ2 4.03Å; F152-W164 AromaticContact CZ-CH2 3.78Å; F152-W164 HydrophobicContact CZ-CH2 3.78Å; F152-W164 HydrophobicContact CZ-CZ2 4.4Å; F152-W164 HydrophobicContact CZ-CZ3 4.37Å
153V74Confident81.4Confident103 Ų10380 Ų8062%0.62442%0.424SS*.Hα-helixtrans-68.7-45.4-178.91800000111.3S149 Q150S149-V153 PolarHBondContact O-N 3.36Å; Q150-V153 PolarHBondContact O-N 3.04Å
154E73.9Confident81.3Confident138 Ų13878.7 Ų78.765%0.64542%0.417SS*.Hα-helixtrans-79.3-31.8-174.6-68.5179.4177.200113.1Q150 G156Q150-E154 HydrophobicContact CG-CG 4.04Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.23Å; Q150-E154 PolarHBondContact NE2-OE1 2.99Å; Q150-E154 VanDerWaalsContact O-CB 3.25Å; Q150-E154 WeakPolarHBondContact O-CB 3.35Å; Q150-E154 VanDerWaalsContact O-CG 3.3Å; Q150-E154 WeakPolarHBondContact O-CG 3.25Å; Q150-E154 PolarHBondContact O-N 3.08Å; E154-G156 VanDerWaalsContact C-N 3.34Å
155T76.3Confident81.3Confident97 Ų9780.5 Ų80.560%0.59543%0.427SS*.Hα-helixtrans-81.9-13.4178.962.10000113.3E151 L157E151-T155 VanDerWaalsContact O-CB 3.24Å; E151-T155 WeakPolarHBondContact O-CB 3.3Å; E151-T155 WeakPolarHBondContact O-CG2 3.17Å; E151-T155 PolarHBondContact O-N 3.36Å; E151-T155 PolarHBondContact O-OG1 3.15Å; T155-L157 PolarHBondContact O-N 2.9Å; T155-L157 VanDerWaalsContact OG1-CB 3.29Å; T155-L157 WeakPolarHBondContact OG1-CB 3.42Å; T155-L157 PolarHBondContact OG1-N 2.85Å
156G75.6Confident81.3Confident54 Ų5482.5 Ų82.556%0.55744%0.438SS*.THydrogen-bonded Turntrans65.218.1-173.400000113.4F152 E154 C158F152-G156 PolarHBondContact O-N 2.88Å; E154-G156 VanDerWaalsContact C-N 3.34Å; G156-C158 PolarHBondContact O-N 2.77Å; G156-C158 PolarHBondContact O-SG 2.87Å
157L77.9Confident81.5Confident81 Ų8185 Ų8542%0.42445%0.447SS..  trans-65120.2-176.6-174.465.5000110.7F152 T155 Y159F152-L157 HydrophobicContact CD1-CB 4.39Å; F152-L157 HydrophobicContact CD1-CD2 4.44Å; F152-L157 HydrophobicContact CE1-CD2 4.06Å; F152-L157 HydrophobicContact CE1-CG 4.34Å; F152-L157 HydrophobicContact CZ-CD2 4.13Å; T155-L157 PolarHBondContact O-N 2.9Å; T155-L157 VanDerWaalsContact OG1-CB 3.29Å; T155-L157 WeakPolarHBondContact OG1-CB 3.42Å; T155-L157 PolarHBondContact OG1-N 2.85Å; L157-Y159 HydrophobicContact CD1-CD1 4.28Å; L157-Y159 HydrophobicContact CD1-CE1 3.98Å; L157-Y159 HydrophobicContact CD2-CD1 4.05Å; L157-Y159 HydrophobicContact CD2-CE1 3.39Å; L157-Y159 HydrophobicContact CG-CD1 3.81Å; L157-Y159 HydrophobicContact CG-CE1 3.61Å
158C76.4Confident82Confident117 Ų11781 Ų8179%0.79143%0.426SS*.  trans-108.4111.5177.4-65.10000109.2G156G156-C158 PolarHBondContact O-N 2.77Å; G156-C158 PolarHBondContact O-SG 2.87Å
159Y81.9Confident82.6Confident67 Ų6780.4 Ų80.426%0.26343%0.428SS..  trans-87130.1174.8-86.517.6000111F152 L157 N163 W164 E167F152-Y159 HydrophobicContact CE1-CD1 4.02Å; F152-Y159 HydrophobicContact CE1-CD2 4.12Å; F152-Y159 HydrophobicContact CE1-CE1 4.25Å; F152-Y159 HydrophobicContact CE1-CE2 4.3Å; F152-Y159 AromaticContact CE1-CG 3.96Å; F152-Y159 HydrophobicContact CE1-CG 3.96Å; F152-Y159 HydrophobicContact CZ-CD1 4.36Å; F152-Y159 HydrophobicContact CZ-CD2 4.02Å; F152-Y159 HydrophobicContact CZ-CE1 4.2Å; F152-Y159 AromaticContact CZ-CE2 3.79Å; F152-Y159 HydrophobicContact CZ-CE2 3.79Å; F152-Y159 HydrophobicContact CZ-CG 4.28Å; F152-Y159 AromaticContact CZ-CZ 3.88Å; L157-Y159 HydrophobicContact CD1-CD1 4.28Å; L157-Y159 HydrophobicContact CD1-CE1 3.98Å; L157-Y159 HydrophobicContact CD2-CD1 4.05Å; L157-Y159 HydrophobicContact CD2-CE1 3.39Å; L157-Y159 HydrophobicContact CG-CD1 3.81Å; L157-Y159 HydrophobicContact CG-CE1 3.61Å; Y159-N163 HydrophobicContact CD1-CB 4.08Å; Y159-N163 HydrophobicContact CD2-CB 3.76Å; Y159-N163 HydrophobicContact CE2-CB 4.26Å; Y159-N163 HydrophobicContact CG-CB 3.68Å; Y159-W164 VanDerWaalsContact CB-CE2 3.47Å; Y159-W164 VanDerWaalsContact CB-NE1 3.28Å; Y159-W164 AromaticContact CD2-CD2 3.7Å; Y159-W164 HydrophobicContact CD2-CD2 3.7Å; Y159-W164 AromaticContact CD2-CE2 3.81Å; Y159-W164 AromaticContact CD2-CE3 3.73Å; Y159-W164 HydrophobicContact CD2-CE3 3.73Å; Y159-W164 HydrophobicContact CD2-CG 4.3Å; Y159-W164 HydrophobicContact CD2-CH2 4.03Å; Y159-W164 AromaticContact CD2-CZ2 3.98Å; Y159-W164 HydrophobicContact CD2-CZ2 3.98Å; Y159-W164 AromaticContact CD2-CZ3 3.92Å; Y159-W164 HydrophobicContact CD2-CZ3 3.92Å; Y159-W164 HydrophobicContact CE2-CE3 4.36Å; Y159-W164 HydrophobicContact CE2-CZ3 4.34Å; Y159-W164 HydrophobicContact CG-CD2 4.38Å; Y159-W164 HydrophobicContact CG-CZ2 4.24Å; Y159-E167 HydrophobicContact CE2-CG 3.9Å
160D83.7Confident83.4Confident88 Ų8883.2 Ų83.247%0.47144%0.441SS..  trans-79176.4166.175.719.1000111R162 N163 W164D160-R162 PolarHBondContact O-N 3.15Å; D160-R162 VanDerWaalsContact OD1-CA 3.3Å; D160-R162 WeakPolarHBondContact OD1-CA 3.2Å; D160-R162 VanDerWaalsContact OD1-CB 3.27Å; D160-R162 WeakPolarHBondContact OD1-CB 3.1Å; D160-R162 PolarHBondContact OD1-N 3.19Å; D160-N163 VanDerWaalsContact CG-OD1 3.22Å; D160-N163 PolarHBondContact N-OD1 2.91Å; D160-N163 VanDerWaalsContact N-OD1 3.15Å; D160-N163 PolarHBondContact O-N 3.19Å; D160-N163 PolarHBondContact OD1-N 3.41Å; D160-N163 PolarHBondContact OD1-OD1 2.79Å; D160-W164 PolarHBondContact O-N 3.34Å
161T85.5Confident85Confident108 Ų10878.2 Ų78.266%0.66342%0.418SS*.Hα-helixtrans-61.7-30.8179.6-56.90000112.6N165T161-N165 PolarHBondContact O-N 2.68Å; T161-N165 VanDerWaalsContact O-N 3.13Å; T161-N165 PolarHBondContact O-ND2 3.26Å; T161-N165 PolarHBondContact O-OD1 3.46Å
162R88.6Confident86.5Confident175 Ų17574.4 Ų74.466%0.6640%0.401SS*.Hα-helixtrans-72.9-44.5-179.9-177.5179.6177172.11.6110.8D160 W164 N165 D166D160-R162 PolarHBondContact O-N 3.15Å; D160-R162 VanDerWaalsContact OD1-CA 3.3Å; D160-R162 WeakPolarHBondContact OD1-CA 3.2Å; D160-R162 VanDerWaalsContact OD1-CB 3.27Å; D160-R162 WeakPolarHBondContact OD1-CB 3.1Å; D160-R162 PolarHBondContact OD1-N 3.19Å; R162-W164 VanDerWaalsContact C-N 3.29Å; R162-W164 PolarHBondContact O-N 3.1Å; R162-N165 WeakPolarHBondContact O-CB 3.47Å; R162-N165 PolarHBondContact O-N 3.18Å; R162-D166 IonicContact NE-OD2 3.65Å; R162-D166 PolarHBondContact O-N 3.32Å
163N90.3Very high87.7Confident63 Ų6379.4 Ų79.434%0.33742%0.423SS..Hα-helixtrans-55.2-46.4174.7-62119.8000111.2Y159 D160 N165 D166 E167Y159-N163 HydrophobicContact CD1-CB 4.08Å; Y159-N163 HydrophobicContact CD2-CB 3.76Å; Y159-N163 HydrophobicContact CE2-CB 4.26Å; Y159-N163 HydrophobicContact CG-CB 3.68Å; D160-N163 VanDerWaalsContact CG-OD1 3.22Å; D160-N163 PolarHBondContact N-OD1 2.91Å; D160-N163 VanDerWaalsContact N-OD1 3.15Å; D160-N163 PolarHBondContact O-N 3.19Å; D160-N163 PolarHBondContact OD1-N 3.41Å; D160-N163 PolarHBondContact OD1-OD1 2.79Å; N163-N165 VanDerWaalsContact C-N 3.29Å; N163-N165 PolarHBondContact O-N 2.84Å; N163-D166 PolarHBondContact O-N 3.14Å; N163-E167 WeakPolarHBondContact O-CG 3.12Å; N163-E167 PolarHBondContact O-N 2.58Å
164W92.1Very high88.7Confident22 Ų2277.1 Ų77.18%0.08341%0.406CS..Hα-helixtrans-64.6-30.5176.6-72.5120.9000114.1K139 W142 Q143 L147 F152 Y159 D160 R162 W168K139-W164 WeakPolarHBondContact CE-O 3.02Å; K139-W164 PolarHBondContact NZ-O 3.2Å; W142-W164 HydrophobicContact CE3-CE3 4.29Å; W142-W164 HydrophobicContact CE3-CZ3 4.41Å; W142-W164 AromaticContact CH2-CE3 3.39Å; W142-W164 HydrophobicContact CH2-CE3 3.39Å; W142-W164 AromaticContact CH2-CZ3 3.6Å; W142-W164 HydrophobicContact CH2-CZ3 3.6Å; W142-W164 HydrophobicContact CZ2-CE3 4.33Å; W142-W164 HydrophobicContact CZ2-CZ3 4.1Å; W142-W164 HydrophobicContact CZ3-CD2 4.48Å; W142-W164 AromaticContact CZ3-CE3 3.37Å; W142-W164 HydrophobicContact CZ3-CE3 3.37Å; W142-W164 AromaticContact CZ3-CZ3 3.78Å; W142-W164 HydrophobicContact CZ3-CZ3 3.78Å; Q143-W164 HydrophobicContact CB-CZ3 4.48Å; Q143-W164 HydrophobicContact CG-CD2 3.9Å; Q143-W164 HydrophobicContact CG-CE3 3.71Å; Q143-W164 HydrophobicContact CG-CG 4.42Å; Q143-W164 HydrophobicContact CG-CZ3 4.06Å; Q143-W164 VanDerWaalsContact NE2-CB 3.34Å; L147-W164 HydrophobicContact CD2-CH2 4.45Å; L147-W164 HydrophobicContact CD2-CZ2 3.86Å; L147-W164 HydrophobicContact CG-CH2 4.28Å; L147-W164 HydrophobicContact CG-CZ2 3.97Å; F152-W164 AromaticContact CE1-CH2 3.84Å; F152-W164 HydrophobicContact CE1-CH2 3.84Å; F152-W164 HydrophobicContact CE1-CZ2 4.03Å; F152-W164 AromaticContact CZ-CH2 3.78Å; F152-W164 HydrophobicContact CZ-CH2 3.78Å; F152-W164 HydrophobicContact CZ-CZ2 4.4Å; F152-W164 HydrophobicContact CZ-CZ3 4.37Å; Y159-W164 VanDerWaalsContact CB-CE2 3.47Å; Y159-W164 VanDerWaalsContact CB-NE1 3.28Å; Y159-W164 AromaticContact CD2-CD2 3.7Å; Y159-W164 HydrophobicContact CD2-CD2 3.7Å; Y159-W164 AromaticContact CD2-CE2 3.81Å; Y159-W164 AromaticContact CD2-CE3 3.73Å; Y159-W164 HydrophobicContact CD2-CE3 3.73Å; Y159-W164 HydrophobicContact CD2-CG 4.3Å; Y159-W164 HydrophobicContact CD2-CH2 4.03Å; Y159-W164 AromaticContact CD2-CZ2 3.98Å; Y159-W164 HydrophobicContact CD2-CZ2 3.98Å; Y159-W164 AromaticContact CD2-CZ3 3.92Å; Y159-W164 HydrophobicContact CD2-CZ3 3.92Å; Y159-W164 HydrophobicContact CE2-CE3 4.36Å; Y159-W164 HydrophobicContact CE2-CZ3 4.34Å; Y159-W164 HydrophobicContact CG-CD2 4.38Å; Y159-W164 HydrophobicContact CG-CZ2 4.24Å; D160-W164 PolarHBondContact O-N 3.34Å; R162-W164 VanDerWaalsContact C-N 3.29Å; R162-W164 PolarHBondContact O-N 3.1Å; W164-W168 VanDerWaalsContact O-CB 3.24Å; W164-W168 WeakPolarHBondContact O-CB 3.44Å; W164-W168 PolarHBondContact O-N 3.35Å
165N93.9Very high89.8Confident67 Ų6770.6 Ų70.636%0.35838%0.375SS..Hα-helixtrans-72.6-48174.7-68.2-20.9000111K139 T161 R162 N163 E167 W168 D169K139-N165 PolarHBondContact NZ-OD1 3.41Å; T161-N165 PolarHBondContact O-N 2.68Å; T161-N165 VanDerWaalsContact O-N 3.13Å; T161-N165 PolarHBondContact O-ND2 3.26Å; T161-N165 PolarHBondContact O-OD1 3.46Å; R162-N165 WeakPolarHBondContact O-CB 3.47Å; R162-N165 PolarHBondContact O-N 3.18Å; N163-N165 VanDerWaalsContact C-N 3.29Å; N163-N165 PolarHBondContact O-N 2.84Å; N165-E167 PolarHBondContact O-N 2.84Å; N165-W168 PolarHBondContact O-N 3.4Å; N165-D169 PolarHBondContact O-N 2.97Å
166D94.9Very high90.7Very high72 Ų7266 Ų6639%0.38535%0.347SS..Hα-helixtrans-62.9-43.8-177.9-66.3-11.9000111R162 N163 D169 N170R162-D166 IonicContact NE-OD2 3.65Å; R162-D166 PolarHBondContact O-N 3.32Å; N163-D166 PolarHBondContact O-N 3.14Å; D166-D169 PolarHBondContact O-N 2.95Å; D166-N170 VanDerWaalsContact O-CG 3.28Å; D166-N170 PolarHBondContact O-N 3.21Å; D166-N170 PolarHBondContact O-ND2 3.22Å
167E94.8Very high91.6Very high75 Ų7566 Ų6635%0.3534%0.336SS..Hα-helixtrans-67-38.8175.6-69.8-53.8155.500112.6W142 Y159 N163 N165 D169 N170 L171W142-E167 HydrophobicContact CH2-CB 3.71Å; W142-E167 HydrophobicContact CZ2-CB 4.15Å; Y159-E167 HydrophobicContact CE2-CG 3.9Å; N163-E167 WeakPolarHBondContact O-CG 3.12Å; N163-E167 PolarHBondContact O-N 2.58Å; N165-E167 PolarHBondContact O-N 2.84Å; E167-D169 VanDerWaalsContact C-N 3.33Å; E167-D169 PolarHBondContact O-N 3.13Å; E167-N170 WeakPolarHBondContact O-CB 3.26Å; E167-N170 PolarHBondContact O-N 2.84Å; E167-N170 PolarHBondContact OE2-ND2 3.36Å; E167-L171 VanDerWaalsContact O-CG 3.31Å; E167-L171 WeakPolarHBondContact O-CG 3.4Å; E167-L171 PolarHBondContact O-N 3.16Å
168W97.3Very high92.1Very high8 Ų866.9 Ų66.93%0.0334%0.341CS..Hα-helixtrans-62.6-41.7174.5-173.6-105.5000111.9L130 T135 F138 K139 W142 W164 N165 N170 L171 I172 I194L130-W168 HydrophobicContact CD2-CH2 4.23Å; L130-W168 HydrophobicContact CD2-CZ2 3.95Å; T135-W168 HydrophobicContact CG2-CZ2 4.37Å; T135-W168 PolarHBondContact OG1-NE1 3.3Å; F138-W168 HydrophobicContact CB-CH2 3.77Å; F138-W168 HydrophobicContact CB-CZ2 4.14Å; K139-W168 HydrophobicContact CB-CD2 3.84Å; K139-W168 HydrophobicContact CB-CE3 4.03Å; K139-W168 HydrophobicContact CB-CG 4.42Å; K139-W168 HydrophobicContact CB-CH2 4.3Å; K139-W168 HydrophobicContact CB-CZ2 4.11Å; K139-W168 HydrophobicContact CB-CZ3 4.25Å; K139-W168 HydrophobicContact CD-CB 4.1Å; K139-W168 HydrophobicContact CD-CD2 3.98Å; K139-W168 HydrophobicContact CD-CG 3.68Å; K139-W168 HydrophobicContact CG-CB 4.47Å; K139-W168 HydrophobicContact CG-CD2 3.76Å; K139-W168 HydrophobicContact CG-CE3 3.96Å; K139-W168 HydrophobicContact CG-CG 3.97Å; W142-W168 HydrophobicContact CB-CZ3 3.97Å; W142-W168 AromaticContact CD2-CE3 3.97Å; W142-W168 HydrophobicContact CD2-CE3 3.97Å; W142-W168 HydrophobicContact CD2-CZ3 4.12Å; W142-W168 AromaticContact CE3-CE3 3.64Å; W142-W168 HydrophobicContact CE3-CE3 3.64Å; W142-W168 HydrophobicContact CE3-CZ3 4.14Å; W142-W168 HydrophobicContact CG-CE3 4.38Å; W142-W168 HydrophobicContact CG-CZ3 4.03Å; W142-W168 HydrophobicContact CZ3-CB 4.36Å; W142-W168 HydrophobicContact CZ3-CE3 4.1Å; W164-W168 VanDerWaalsContact O-CB 3.24Å; W164-W168 WeakPolarHBondContact O-CB 3.44Å; W164-W168 PolarHBondContact O-N 3.35Å; N165-W168 PolarHBondContact O-N 3.4Å; W168-N170 VanDerWaalsContact C-N 3.32Å; W168-N170 PolarHBondContact O-N 3.32Å; W168-L171 HydrophobicContact CE3-CD1 4.03Å; W168-L171 HydrophobicContact CZ3-CD1 4.3Å; W168-L171 WeakPolarHBondContact O-CB 3.13Å; W168-L171 PolarHBondContact O-N 2.66Å; W168-I172 WeakPolarHBondContact O-CG1 3.29Å; W168-I172 PolarHBondContact O-N 3.09Å; W168-I194 HydrophobicContact CH2-CG1 4.01Å; W168-I194 HydrophobicContact CZ3-CG1 3.94Å
169D96.8Very high92Very high94 Ų9466.4 Ų66.450%0.50334%0.335SS..Hα-helixtrans-66.2-35.2176.8-72.6-18.1000111.8N165 D166 E167 I172 K173N165-D169 PolarHBondContact O-N 2.97Å; D166-D169 PolarHBondContact O-N 2.95Å; E167-D169 VanDerWaalsContact C-N 3.33Å; E167-D169 PolarHBondContact O-N 3.13Å; D169-I172 PolarHBondContact O-N 3.47Å; D169-K173 WeakPolarHBondContact O-CB 3.35Å; D169-K173 PolarHBondContact O-N 2.8Å
170N96.2Very high91.6Very high77 Ų7764.3 Ų64.341%0.41233%0.33SS..Hα-helixtrans-61.1-43.3171.3-73.3-27.6000111.7D166 E167 W168 K173 M174D166-N170 VanDerWaalsContact O-CG 3.28Å; D166-N170 PolarHBondContact O-N 3.21Å; D166-N170 PolarHBondContact O-ND2 3.22Å; E167-N170 WeakPolarHBondContact O-CB 3.26Å; E167-N170 PolarHBondContact O-N 2.84Å; E167-N170 PolarHBondContact OE2-ND2 3.36Å; W168-N170 VanDerWaalsContact C-N 3.32Å; W168-N170 PolarHBondContact O-N 3.32Å; N170-K173 CarbonylContact O-C 3.43Å; N170-K173 WeakPolarHBondContact O-CB 3.44Å; N170-K173 PolarHBondContact O-N 2.99Å; N170-K173 VanDerWaalsContact O-N 3.16Å; N170-M174 WeakPolarHBondContact O-CG 3.41Å; N170-M174 PolarHBondContact O-N 2.85Å
171L97Very high90.2Very high9 Ų968.8 Ų68.85%0.04735%0.35CS..Hα-helixtrans-63.2-43.7176.9-66.4168.8000112W142 E167 W168 K173 M174 A175 E192 I194 H195W142-L171 HydrophobicContact CD2-CD1 4.11Å; W142-L171 VanDerWaalsContact CE2-CD1 3.49Å; W142-L171 HydrophobicContact CH2-CD1 4.34Å; W142-L171 HydrophobicContact CZ2-CD1 3.65Å; E167-L171 VanDerWaalsContact O-CG 3.31Å; E167-L171 WeakPolarHBondContact O-CG 3.4Å; E167-L171 PolarHBondContact O-N 3.16Å; W168-L171 HydrophobicContact CE3-CD1 4.03Å; W168-L171 HydrophobicContact CZ3-CD1 4.3Å; W168-L171 WeakPolarHBondContact O-CB 3.13Å; W168-L171 PolarHBondContact O-N 2.66Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.79Å; L171-M174 HydrophobicContact CD2-SD 4.15Å; L171-M174 WeakPolarHBondContact O-CB 3.39Å; L171-M174 PolarHBondContact O-N 2.95Å; L171-A175 PolarHBondContact O-N 3.26Å; L171-E192 HydrophobicContact CD2-CG 3.77Å; L171-E192 WeakPolarHBondContact CD2-OE1 3.47Å; L171-E192 WeakPolarHBondContact CD2-OE2 3.47Å; L171-I194 HydrophobicContact CD1-CG2 4.16Å; L171-I194 HydrophobicContact CD2-CG2 4.31Å; L171-H195 PolarHBondContact O-NE2 2.77Å; L171-H195 VanDerWaalsContact O-NE2 3.08Å
172I97.6Very high88.4Confident17 Ų1768.7 Ų68.79%0.08736%0.361CS..Hα-helixtrans-58.3-43.7173.2-62.6169.4000110.3F127 L130 K131 W168 D169 A175F127-I172 WeakPolarHBondContact CD2-O 3.38Å; F127-I172 HydrophobicContact CE2-CG2 4.12Å; F127-I172 VanDerWaalsContact CE2-O 3.3Å; F127-I172 WeakPolarHBondContact CE2-O 3.26Å; L130-I172 HydrophobicContact CB-CG1 4.23Å; L130-I172 HydrophobicContact CB-CG2 4.36Å; K131-I172 HydrophobicContact CB-CG2 4.39Å; K131-I172 HydrophobicContact CD-CG2 4.08Å; W168-I172 WeakPolarHBondContact O-CG1 3.29Å; W168-I172 PolarHBondContact O-N 3.09Å; D169-I172 PolarHBondContact O-N 3.47Å; I172-A175 WeakPolarHBondContact O-CB 3.49Å; I172-A175 PolarHBondContact O-N 3.12Å
173K96.3Very high86.7Confident136 Ų13672 Ų7259%0.59137%0.373SS*.Hα-helixtrans-65.1-38178-174.8179178.5-179.60112.4D169 N170 L171 A175 S176D169-K173 WeakPolarHBondContact O-CB 3.35Å; D169-K173 PolarHBondContact O-N 2.8Å; N170-K173 CarbonylContact O-C 3.43Å; N170-K173 WeakPolarHBondContact O-CB 3.44Å; N170-K173 PolarHBondContact O-N 2.99Å; N170-K173 VanDerWaalsContact O-N 3.16Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.79Å; K173-A175 PolarHBondContact O-N 3.17Å; K173-S176 WeakPolarHBondContact O-CB 3.27Å; K173-S176 PolarHBondContact O-N 2.91Å; K173-S176 PolarHBondContact O-OG 2.85Å; K173-S176 VanDerWaalsContact O-OG 3.13Å
174M95.8Very high85Confident55 Ų5572.1 Ų72.127%0.27138%0.379SS..Hα-helixtrans-60.5-35.1175.3-73.7171.663.200111.7R123 N170 L171 S176 N189 S190R123-M174 PolarHBondContact NH2-O 3.34Å; N170-M174 WeakPolarHBondContact O-CG 3.41Å; N170-M174 PolarHBondContact O-N 2.85Å; L171-M174 HydrophobicContact CD2-SD 4.15Å; L171-M174 WeakPolarHBondContact O-CB 3.39Å; L171-M174 PolarHBondContact O-N 2.95Å; M174-S176 PolarHBondContact O-N 2.82Å; M174-N189 HydrophobicContact CB-CB 4.34Å; M174-N189 HydrophobicContact CG-CB 4.48Å; M174-S190 WeakPolarHBondContact CE-O 3.48Å
175A97Very high83.8Confident0 Ų075.2 Ų75.20%042%0.418CS..THydrogen-bonded Turntrans-68.4-15.8175.700000114.3R123 L126 F127 L130 L171 I172 K173R123-A175 WeakPolarHBondContact CD-O 3.39Å; R123-A175 PolarHBondContact NE-O 2.79Å; L126-A175 HydrophobicContact CD2-CB 4.08Å; L126-A175 HydrophobicContact CG-CB 4.19Å; F127-A175 HydrophobicContact CB-CB 4.32Å; F127-A175 WeakPolarHBondContact CB-O 3.43Å; F127-A175 HydrophobicContact CD2-CB 4.07Å; L130-A175 HydrophobicContact CD1-CB 3.73Å; L171-A175 PolarHBondContact O-N 3.26Å; I172-A175 WeakPolarHBondContact O-CB 3.49Å; I172-A175 PolarHBondContact O-N 3.12Å; K173-A175 PolarHBondContact O-N 3.17Å
176S95.8Very high83.2Confident2 Ų275 Ų751%0.01442%0.416CS..SBendtrans-65.2166.5-179.691.40000112.7R123 K173 M174 D178R123-S176 PolarHBondContact NE-O 2.78Å; R123-S176 PolarHBondContact NH2-O 2.94Å; K173-S176 WeakPolarHBondContact O-CB 3.27Å; K173-S176 PolarHBondContact O-N 2.91Å; K173-S176 PolarHBondContact O-OG 2.85Å; K173-S176 VanDerWaalsContact O-OG 3.13Å; M174-S176 PolarHBondContact O-N 2.82Å; S176-D178 VanDerWaalsContact C-N 3.29Å; S176-D178 WeakPolarHBondContact OG-CB 3.41Å; S176-D178 PolarHBondContact OG-N 2.86Å; S176-D178 VanDerWaalsContact OG-N 3.16Å; S176-D178 PolarHBondContact OG-OD2 2.9Å
177T93.1Very high82.8Confident52 Ų5276.4 Ų76.432%0.31942%0.42SS..  trans-93.113.2174.158.60000112.4L120 R123 K124L120-T177 HydrophobicContact CB-CG2 4.43Å; L120-T177 HydrophobicContact CD1-CG2 3.77Å; R123-T177 HydrophobicContact CG-CG2 3.98Å; K124-T177 HydrophobicContact CG-CG2 4.15Å
178D88.8Confident82.7Confident100 Ų10074 Ų7454%0.53541%0.408SS..PPolyproline II helixtrans-72.4138.7179.5-56.1-40.8000109.9S176S176-D178 VanDerWaalsContact C-N 3.29Å; S176-D178 WeakPolarHBondContact OG-CB 3.41Å; S176-D178 PolarHBondContact OG-N 2.86Å; S176-D178 VanDerWaalsContact OG-N 3.16Å; S176-D178 PolarHBondContact OG-OD2 2.9Å
179T75.2Confident82.5Confident107 Ų10775.5 Ų75.566%0.65642%0.417SS*.PPolyproline II helixtrans-66.3128.5176.6-6.40000109.4M181 Q187T179-M181 PolarHBondContact O-N 2.79Å; T179-Q187 WeakPolarHBondContact CG2-O 3.39Å
180P72.5Confident82.4Confident24 Ų2473.8 Ų73.816%0.15641%0.412CS..PPolyproline II helixtrans-57.2125176.4-18.227.2000109.5A182 Q187 N189P180-A182 PolarHBondContact O-N 3.14Å; P180-Q187 VanDerWaalsContact CD-O 3.25Å; P180-Q187 WeakPolarHBondContact CD-O 3.33Å; P180-N189 WeakPolarHBondContact CG-OD1 3.46Å
181M55.4Low82.4Confident181 Ų18171 Ų7189%0.89240%0.397SS*.  trans-63.897174.8-73.9-171100.400109.5T179 R183T179-M181 PolarHBondContact O-N 2.79Å; M181-R183 VanDerWaalsContact C-N 3.33Å; M181-R183 PolarHBondContact O-N 2.93Å
182A47.6Very low82.2Confident107 Ų10773.2 Ų73.288%0.88441%0.408SS*.SBendtrans56.716.2157.500000119.5P180P180-A182 PolarHBondContact O-N 3.14Å
183R51.9Low82.2Confident243 Ų24374 Ų7492%0.91741%0.411SS*.SBendtrans-109.5-28.2-176.8-69.2-172.5-178.3-171.11117.1M181M181-R183 VanDerWaalsContact C-N 3.33Å; M181-R183 PolarHBondContact O-N 2.93Å
184S55.6Low82.3Confident67 Ų6767.7 Ų67.747%0.46938%0.383SS..SBendtrans-114.8-10.4-174.7710000115.7L186S184-L186 PolarHBondContact O-N 2.89Å; S184-L186 VanDerWaalsContact O-N 3.1Å; S184-L186 PolarHBondContact OG-N 3.37Å
185G66.6Low82.5Confident87 Ų8765 Ų6590%0.89737%0.37SS*.  trans66.61.3-173.600000114.9
186L80.6Confident82.6Confident61 Ų6165 Ų6532%0.31937%0.37SS..  trans-89.2153.6176.8-60.7177.6000111.4G99 S184G99-L186 WeakPolarHBondContact O-CD2 3.46Å; S184-L186 PolarHBondContact O-N 2.89Å; S184-L186 VanDerWaalsContact O-N 3.1Å; S184-L186 PolarHBondContact OG-N 3.37Å
187Q88.1Confident82.7Confident102 Ų10265 Ų6548%0.47737%0.37SS..SBendtrans-71.1-35.7178.7-173.8171.8-5.600112.1D100 T179 P180D100-Q187 HydrophobicContact CB-CB 4.28Å; D100-Q187 PolarHBondContact O-N 2.92Å; D100-Q187 VanDerWaalsContact O-N 3.14Å; T179-Q187 WeakPolarHBondContact CG2-O 3.39Å; P180-Q187 VanDerWaalsContact CD-O 3.25Å; P180-Q187 WeakPolarHBondContact CD-O 3.33Å
188Y92.7Very high83Confident24 Ų2462.5 Ų62.59%0.09436%0.355CS..SBendtrans-127.6159.4179.3-53-71.4000111.7D100 G101 N102 L120D100-Y188 PolarHBondContact O-N 3.49Å; G101-Y188 WeakPolarHBondContact CA-O 3.35Å; N102-Y188 HydrophobicContact CB-CD2 3.86Å; N102-Y188 HydrophobicContact CB-CE2 4.44Å; L120-Y188 HydrophobicContact CD1-CE1 3.86Å; L120-Y188 WeakPolarHBondContact CD1-OH 3.08Å; L120-Y188 HydrophobicContact CD2-CE1 4.31Å; L120-Y188 HydrophobicContact CD2-CE2 3.94Å
189N92.8Very high83.5Confident41 Ų4157.7 Ų57.722%0.21933%0.329CS..  trans-67.4137.8171-64.2-56.9000110.2G101 R123 M174 P180G101-N189 VanDerWaalsContact O-O 3.09Å; R123-N189 PolarHBondContact NH1-O 3.03Å; R123-N189 PolarHBondContact NH2-O 3.5Å; M174-N189 HydrophobicContact CB-CB 4.34Å; M174-N189 HydrophobicContact CG-CB 4.48Å; P180-N189 WeakPolarHBondContact CG-OD1 3.46Å
190S93.5Very high84.6Confident58 Ų5852.6 Ų52.641%0.40630%0.298SS..  trans-61.8151.3169.4-59.20000110.9M174M174-S190 WeakPolarHBondContact CE-O 3.48Å
191L96Very high85.9Confident18 Ų1851.5 Ų51.59%0.09429%0.29CS..  trans-111.7149.2-179.1-58.9178.3000110.5L104 M105 L126 H195L104-L191 HydrophobicContact CB-CD1 4.45Å; L104-L191 HydrophobicContact CD2-CB 4Å; L104-L191 HydrophobicContact CD2-CD1 3.95Å; M105-L191 HydrophobicContact CE-CD1 3.82Å; L126-L191 HydrophobicContact CD2-CD1 3.83Å; L126-L191 HydrophobicContact CD2-CD2 4.47Å; L191-H195 HydrophobicContact CB-CB 4Å; L191-H195 HydrophobicContact CD1-CB 4.44Å
192E94.4Very high87.9Confident56 Ų5642.9 Ų42.926%0.26225%0.248SC..  trans-114.4-175.6-178.863.1164.2-127.200113.2L171 I194 H195L171-E192 HydrophobicContact CD2-CG 3.77Å; L171-E192 WeakPolarHBondContact CD2-OE1 3.47Å; L171-E192 WeakPolarHBondContact CD2-OE2 3.47Å; E192-I194 VanDerWaalsContact C-N 3.35Å; E192-I194 HydrophobicContact CG-CG2 4.12Å; E192-I194 PolarHBondContact O-N 3.4Å; E192-H195 WeakPolarHBondContact CG-ND1 3.48Å; E192-H195 PolarHBondContact N-ND1 3.33Å; E192-H195 VanDerWaalsContact N-ND1 3.18Å; E192-H195 VanDerWaalsContact O-CB 3.31Å; E192-H195 WeakPolarHBondContact O-CB 3.39Å; E192-H195 PolarHBondContact O-N 2.92Å; E192-H195 PolarHBondContact O-ND1 2.94Å
193E97.6Very high90.4Very high34 Ų3437.8 Ų37.816%0.15921%0.206CC..Hα-helixtrans-52.7-44.2-169.3-6592.1156.900113.8H195 I196 F197 K228 V229 Y233 F290E193-H195 PolarHBondContact O-N 3.47Å; E193-I196 WeakPolarHBondContact O-CB 3.44Å; E193-I196 PolarHBondContact O-N 3.24Å; E193-F197 PolarHBondContact O-N 2.81Å; E193-F197 VanDerWaalsContact O-N 3.11Å; E193-K228 VanDerWaalsContact OE1-C 3.31Å; E193-K228 VanDerWaalsContact OE1-CB 3.32Å; E193-K228 WeakPolarHBondContact OE1-CB 3.31Å; E193-V229 HydrophobicContact CG-CB 4.3Å; E193-V229 HydrophobicContact CG-CG2 4.1Å; E193-V229 WeakPolarHBondContact OE1-CG2 3.28Å; E193-V229 PolarHBondContact OE1-N 2.95Å; E193-Y233 HydrophobicContact CB-CE1 4.17Å; E193-Y233 WeakPolarHBondContact CG-OH 3.48Å; E193-Y233 WeakPolarHBondContact O-CE1 3.43Å; E193-F290 HydrophobicContact CB-CE2 4.01Å; E193-F290 HydrophobicContact CB-CZ 3.79Å; E193-F290 WeakPolarHBondContact O-CE2 3.2Å
194I98.3Very high92.6Very high2 Ų227.5 Ų27.51%0.0117%0.167CC..Hα-helixtrans-62.6-32.1-178.5-172.256.1000111.8W142 W168 L171 E192 I196 F197 V198 F290W142-I194 HydrophobicContact CB-CD1 3.95Å; W142-I194 HydrophobicContact CB-CG1 4.16Å; W142-I194 HydrophobicContact CG-CG1 4.48Å; W168-I194 HydrophobicContact CH2-CG1 4.01Å; W168-I194 HydrophobicContact CZ3-CG1 3.94Å; L171-I194 HydrophobicContact CD1-CG2 4.16Å; L171-I194 HydrophobicContact CD2-CG2 4.31Å; E192-I194 VanDerWaalsContact C-N 3.35Å; E192-I194 HydrophobicContact CG-CG2 4.12Å; E192-I194 PolarHBondContact O-N 3.4Å; I194-I196 VanDerWaalsContact C-N 3.32Å; I194-I196 PolarHBondContact O-N 3.28Å; I194-F197 HydrophobicContact CD1-CB 4.36Å; I194-F197 HydrophobicContact CD1-CD1 4.08Å; I194-F197 WeakPolarHBondContact O-CB 3.47Å; I194-F197 PolarHBondContact O-N 2.9Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 3.07Å; I194-F290 HydrophobicContact CB-CE1 4.47Å; I194-F290 HydrophobicContact CB-CZ 3.96Å; I194-F290 HydrophobicContact CD1-CD1 4.32Å; I194-F290 HydrophobicContact CD1-CE1 4.09Å; I194-F290 HydrophobicContact CD1-CE2 4.31Å; I194-F290 HydrophobicContact CD1-CZ 4.08Å
195H98.8Very high94.7Very high0 Ų024.3 Ų24.30%015%0.145CC..Hα-helixtrans-69-33177.1-56.497.4000111.8L104 L126 L171 L191 E192 E193 F197 L199L104-H195 HydrophobicContact CD2-CB 4.41Å; L126-H195 HydrophobicContact CD1-CB 4.45Å; L126-H195 HydrophobicContact CD2-CB 3.89Å; L171-H195 PolarHBondContact O-NE2 2.77Å; L171-H195 VanDerWaalsContact O-NE2 3.08Å; L191-H195 HydrophobicContact CB-CB 4Å; L191-H195 HydrophobicContact CD1-CB 4.44Å; E192-H195 WeakPolarHBondContact CG-ND1 3.48Å; E192-H195 PolarHBondContact N-ND1 3.33Å; E192-H195 VanDerWaalsContact N-ND1 3.18Å; E192-H195 VanDerWaalsContact O-CB 3.31Å; E192-H195 WeakPolarHBondContact O-CB 3.39Å; E192-H195 PolarHBondContact O-N 2.92Å; E192-H195 PolarHBondContact O-ND1 2.94Å; E193-H195 PolarHBondContact O-N 3.47Å; H195-F197 VanDerWaalsContact C-N 3.33Å; H195-L199 WeakPolarHBondContact O-CB 3.39Å; H195-L199 PolarHBondContact O-N 3.02Å
196I98.9Very high96.2Very high0 Ų020.1 Ų20.10%010%0.102CC..Hα-helixtrans-65.6-41.7173.4-49.2176.5000109.6L104 E193 I194 L199 C200 I207 V209 V229 Y233 F257L104-I196 HydrophobicContact CD1-CD1 4.5Å; L104-I196 HydrophobicContact CD1-CG1 3.98Å; L104-I196 HydrophobicContact CD2-CG1 3.8Å; E193-I196 WeakPolarHBondContact O-CB 3.44Å; E193-I196 PolarHBondContact O-N 3.24Å; I194-I196 VanDerWaalsContact C-N 3.32Å; I194-I196 PolarHBondContact O-N 3.28Å; I196-L199 PolarHBondContact O-N 2.98Å; I196-C200 PolarHBondContact O-N 3.13Å; I196-I207 HydrophobicContact CG2-CB 4.17Å; I196-I207 HydrophobicContact CG2-CD1 4.04Å; I196-I207 HydrophobicContact CG2-CG2 3.95Å; I196-V209 HydrophobicContact CD1-CG2 4.22Å; I196-V209 HydrophobicContact CG2-CG2 4.47Å; I196-V229 HydrophobicContact CD1-CG1 3.8Å; I196-Y233 HydrophobicContact CB-CD1 3.88Å; I196-Y233 HydrophobicContact CB-CD2 4.48Å; I196-Y233 HydrophobicContact CB-CE1 3.79Å; I196-Y233 HydrophobicContact CB-CE2 4.44Å; I196-Y233 HydrophobicContact CB-CG 4.23Å; I196-Y233 HydrophobicContact CD1-CE1 4.34Å; I196-Y233 HydrophobicContact CD1-CE2 4.21Å; I196-Y233 HydrophobicContact CG2-CD1 3.85Å; I196-Y233 HydrophobicContact CG2-CD2 3.7Å; I196-Y233 HydrophobicContact CG2-CE1 4.06Å; I196-Y233 HydrophobicContact CG2-CE2 3.96Å; I196-Y233 HydrophobicContact CG2-CG 3.66Å; I196-F257 HydrophobicContact CD1-CE1 3.98Å; I196-F257 HydrophobicContact CD1-CZ 3.79Å
197F98.9Very high97.1Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-65.9-43.8176.7-174.7-110.9000112.7F138 E193 I194 H195 L199 C200 N201 Y233 L234 L236 F290F138-F197 AromaticContact CD1-CD1 3.58Å; F138-F197 HydrophobicContact CD1-CD1 3.58Å; F138-F197 AromaticContact CD1-CE1 3.58Å; F138-F197 HydrophobicContact CD1-CE1 3.58Å; F138-F197 AromaticContact CE1-CD1 3.68Å; F138-F197 HydrophobicContact CE1-CD1 3.68Å; F138-F197 AromaticContact CE1-CE1 3.62Å; F138-F197 HydrophobicContact CE1-CE1 3.62Å; E193-F197 PolarHBondContact O-N 2.81Å; E193-F197 VanDerWaalsContact O-N 3.11Å; I194-F197 HydrophobicContact CD1-CB 4.36Å; I194-F197 HydrophobicContact CD1-CD1 4.08Å; I194-F197 WeakPolarHBondContact O-CB 3.47Å; I194-F197 PolarHBondContact O-N 2.9Å; H195-F197 VanDerWaalsContact C-N 3.33Å; F197-L199 VanDerWaalsContact C-N 3.34Å; F197-C200 PolarHBondContact O-N 2.67Å; F197-C200 PolarHBondContact O-SG 3.01Å; F197-N201 PolarHBondContact O-N 3.39Å; F197-N201 PolarHBondContact O-ND2 2.77Å; F197-Y233 HydrophobicContact CB-CD1 4.04Å; F197-L234 WeakPolarHBondContact CE2-O 3.45Å; F197-L236 HydrophobicContact CE2-CB 4.44Å; F197-L236 HydrophobicContact CE2-CD1 3.95Å; F197-L236 HydrophobicContact CE2-CG 4.26Å; F197-L236 HydrophobicContact CZ-CB 4.19Å; F197-L236 HydrophobicContact CZ-CD1 4.11Å; F197-L236 HydrophobicContact CZ-CG 4.44Å; F197-F290 HydrophobicContact CB-CD2 3.39Å; F197-F290 HydrophobicContact CB-CE2 3.65Å; F197-F290 HydrophobicContact CB-CG 4.35Å; F197-F290 HydrophobicContact CD1-CB 4.18Å; F197-F290 HydrophobicContact CD1-CD2 4.11Å; F197-F290 HydrophobicContact CD1-CG 4.28Å; F197-F290 HydrophobicContact CD2-CB 4.05Å; F197-F290 AromaticContact CD2-CD2 3.85Å; F197-F290 HydrophobicContact CD2-CD2 3.85Å; F197-F290 HydrophobicContact CD2-CG 4.38Å; F197-F290 HydrophobicContact CE1-CB 4.2Å; F197-F290 HydrophobicContact CE2-CB 4.04Å; F197-F290 HydrophobicContact CG-CB 4.11Å; F197-F290 AromaticContact CG-CD2 3.52Å; F197-F290 HydrophobicContact CG-CD2 3.52Å; F197-F290 HydrophobicContact CG-CE2 4.27Å; F197-F290 HydrophobicContact CG-CG 4.09Å; F197-F290 HydrophobicContact CZ-CB 4.13Å
198V98.9Very high97.6Very high0 Ų012.4 Ų12.40%06%0.064CC..Hα-helixtrans-63.3-43.3173.3-177.90000110.5I37 L126 T129 L130 F138 I194 C200 N201 I202I37-V198 HydrophobicContact CD1-CG1 4.35Å; L126-V198 HydrophobicContact CD1-CB 3.61Å; L126-V198 HydrophobicContact CD1-CG1 3.59Å; T129-V198 HydrophobicContact CG2-CG1 3.73Å; L130-V198 HydrophobicContact CD2-CG2 3.97Å; F138-V198 HydrophobicContact CD1-CG2 3.74Å; F138-V198 HydrophobicContact CD2-CG2 4.15Å; F138-V198 HydrophobicContact CE1-CB 4.34Å; F138-V198 HydrophobicContact CE1-CG2 3.78Å; F138-V198 HydrophobicContact CE2-CG1 4.25Å; F138-V198 HydrophobicContact CE2-CG2 4.19Å; F138-V198 HydrophobicContact CG-CG2 3.94Å; F138-V198 HydrophobicContact CZ-CB 4.32Å; F138-V198 HydrophobicContact CZ-CG1 4.12Å; F138-V198 HydrophobicContact CZ-CG2 4Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 3.07Å; V198-C200 PolarHBondContact O-N 3.06Å; V198-N201 WeakPolarHBondContact O-CB 3.43Å; V198-N201 PolarHBondContact O-N 2.92Å; V198-N201 VanDerWaalsContact O-N 3.12Å; V198-I202 HydrophobicContact CG1-CD1 4.15Å; V198-I202 HydrophobicContact CG1-CG1 4.49Å; V198-I202 WeakPolarHBondContact O-CG1 3.44Å; V198-I202 PolarHBondContact O-N 3.04Å
199L98.9Very high97.9Very high0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-58.8-44.5178.4179.261.2000112.4L104 M105 T108 L122 H195 I196 F197 N201 I202 L203 I207L104-L199 HydrophobicContact CD1-CD2 4.32Å; L104-L199 HydrophobicContact CD2-CD2 4.38Å; L104-L199 HydrophobicContact CG-CD2 4.1Å; M105-L199 HydrophobicContact CE-CD1 4.3Å; M105-L199 HydrophobicContact CE-CD2 4.28Å; M105-L199 HydrophobicContact SD-CD1 3.89Å; M105-L199 HydrophobicContact SD-CD2 3.77Å; M105-L199 HydrophobicContact SD-CG 4.44Å; T108-L199 HydrophobicContact CG2-CD2 4.04Å; L122-L199 HydrophobicContact CD2-CD1 4.48Å; H195-L199 WeakPolarHBondContact O-CB 3.39Å; H195-L199 PolarHBondContact O-N 3.02Å; I196-L199 PolarHBondContact O-N 2.98Å; F197-L199 VanDerWaalsContact C-N 3.34Å; L199-N201 PolarHBondContact O-N 2.81Å; L199-I202 WeakPolarHBondContact O-CB 3.25Å; L199-I202 PolarHBondContact O-N 3.36Å; L199-I202 VanDerWaalsContact O-N 3.15Å; L199-L203 HydrophobicContact CD1-CD1 4Å; L199-L203 HydrophobicContact CD1-CG 4.18Å; L199-L203 HydrophobicContact CG-CD1 3.97Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 3.3Å; L199-I207 HydrophobicContact CB-CD1 4.46Å; L199-I207 HydrophobicContact CD2-CD1 4.09Å; L199-I207 HydrophobicContact CG-CD1 4.09Å
200C98.8Very high98.1Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-63.1-31.9178.6840000112I196 F197 V198 L203 R204 R205 I207 L234I196-C200 PolarHBondContact O-N 3.13Å; F197-C200 PolarHBondContact O-N 2.67Å; F197-C200 PolarHBondContact O-SG 3.01Å; V198-C200 PolarHBondContact O-N 3.06Å; C200-L203 CarbonylContact O-C 3.55Å; C200-L203 PolarHBondContact O-N 3.26Å; C200-R204 WeakPolarHBondContact O-CA 3.41Å; C200-R204 PolarHBondContact O-N 3.35Å; C200-R205 WeakPolarHBondContact CB-O 3.39Å; C200-R205 PolarHBondContact O-N 2.85Å; C200-R205 VanDerWaalsContact O-N 3.13Å; C200-I207 HydrophobicContact CB-CB 4.49Å; C200-I207 HydrophobicContact CB-CD1 3.86Å; C200-I207 HydrophobicContact CB-CG1 3.83Å; C200-L234 PolarHBondContact SG-O 3.4Å; C200-L234 VanDerWaalsContact SG-O 3.37Å
201N98.9Very high98.2Very high0 Ų07.8 Ų7.80%04%0.037CC..Hα-helixtrans-73.4-34.7174.5-76.8-77.8000112.8I37 F138 F197 V198 L199 L203 R204 P235 L236 H237 W238I37-N201 HydrophobicContact CD1-CB 3.96Å; F138-N201 HydrophobicContact CZ-CB 4.21Å; F197-N201 PolarHBondContact O-N 3.39Å; F197-N201 PolarHBondContact O-ND2 2.77Å; V198-N201 WeakPolarHBondContact O-CB 3.43Å; V198-N201 PolarHBondContact O-N 2.92Å; V198-N201 VanDerWaalsContact O-N 3.12Å; L199-N201 PolarHBondContact O-N 2.81Å; N201-L203 VanDerWaalsContact C-N 3.3Å; N201-R204 PolarHBondContact O-N 3.02Å; N201-P235 VanDerWaalsContact OD1-CA 3.24Å; N201-P235 WeakPolarHBondContact OD1-CA 3.3Å; N201-P235 PolarHBondContact OD1-O 2.91Å; N201-L236 PolarHBondContact OD1-N 3.42Å; N201-H237 VanDerWaalsContact OD1-CB 3.28Å; N201-H237 WeakPolarHBondContact OD1-CB 3.35Å; N201-H237 PolarHBondContact OD1-N 3.01Å; N201-W238 PolarHBondContact O-NE1 3.33Å
202I98.8Very high97.6Very high1 Ų17.9 Ų7.91%0.0054%0.038CC..Hα-helixtrans-63.7-39.3170.3-65.7170.8000110.5I37 H39 F40 A125 L126 V198 L199I37-I202 HydrophobicContact CD1-CG1 3.72Å; I37-I202 HydrophobicContact CG1-CG1 4.08Å; H39-I202 WeakPolarHBondContact CA-O 3.36Å; H39-I202 VanDerWaalsContact CB-O 3.28Å; H39-I202 WeakPolarHBondContact CB-O 3.29Å; F40-I202 HydrophobicContact CD2-CG2 4.16Å; F40-I202 HydrophobicContact CE2-CG2 4.1Å; F40-I202 PolarHBondContact N-O 3.09Å; A125-I202 HydrophobicContact CB-CG2 4.49Å; L126-I202 HydrophobicContact CB-CD1 4.32Å; V198-I202 HydrophobicContact CG1-CD1 4.15Å; V198-I202 HydrophobicContact CG1-CG1 4.49Å; V198-I202 WeakPolarHBondContact O-CG1 3.44Å; V198-I202 PolarHBondContact O-N 3.04Å; L199-I202 WeakPolarHBondContact O-CB 3.25Å; L199-I202 PolarHBondContact O-N 3.36Å; L199-I202 VanDerWaalsContact O-N 3.15Å
203L98.9Very high96.8Very high0 Ų07.4 Ų7.40%04%0.035CC..Hα-helixtrans-82.3-14.4-179.4-63.7174.4000113.3F40 H44 T108 M112 L122 L199 C200 N201 R205 I207 I248F40-L203 HydrophobicContact CD2-CD2 3.68Å; F40-L203 HydrophobicContact CE2-CD2 3.84Å; H44-L203 HydrophobicContact CB-CB 4.42Å; H44-L203 HydrophobicContact CB-CD2 4.45Å; H44-L203 WeakPolarHBondContact CB-O 3.12Å; H44-L203 PolarHBondContact CD2-O 3.29Å; T108-L203 HydrophobicContact CG2-CD1 3.51Å; M112-L203 HydrophobicContact CE-CD1 4.13Å; M112-L203 HydrophobicContact CE-CD2 3.77Å; M112-L203 HydrophobicContact SD-CD1 4.42Å; M112-L203 HydrophobicContact SD-CD2 4.13Å; L122-L203 HydrophobicContact CD2-CD2 4.28Å; L199-L203 HydrophobicContact CD1-CD1 4Å; L199-L203 HydrophobicContact CD1-CG 4.18Å; L199-L203 HydrophobicContact CG-CD1 3.97Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 3.3Å; C200-L203 CarbonylContact O-C 3.55Å; C200-L203 PolarHBondContact O-N 3.26Å; N201-L203 VanDerWaalsContact C-N 3.3Å; L203-R205 HydrophobicContact CB-CB 4.09Å; L203-R205 PolarHBondContact O-N 2.77Å; L203-I207 HydrophobicContact CD1-CD1 4.46Å; L203-I248 HydrophobicContact CD1-CD1 3.8Å
204R98.8Very high95.7Very high26 Ų269 Ų910%0.0984%0.043CC..THydrogen-bonded Turntrans48.239.8-168.6-58.9-173.3-66.7175.5-7.9111.8H39 F40 C200 N201 W238 C243 Y244H39-R204 HydrophobicContact CB-CG 4.31Å; F40-R204 PolarHBondContact O-NH2 3.35Å; C200-R204 WeakPolarHBondContact O-CA 3.41Å; C200-R204 PolarHBondContact O-N 3.35Å; N201-R204 PolarHBondContact O-N 3.02Å; R204-W238 HydrophobicContact CG-CD2 3.8Å; R204-W238 HydrophobicContact CG-CG 3.87Å; R204-W238 HydrophobicContact CG-CZ2 4.18Å; R204-C243 CarbonylContact O-C 3.55Å; R204-C243 WeakPolarHBondContact O-CA 3.11Å; R204-C243 VanDerWaalsContact O-CB 3.29Å; R204-C243 WeakPolarHBondContact O-CB 3.32Å; R204-Y244 PolarHBondContact O-N 3.46Å
205R98.9Very high94.5Very high0 Ų011.3 Ų11.30%06%0.055CC..SBendtrans-147.2127.7-172.3-175.1169.3178.9178.30.2110H44 Y46 T47 C200 L203 Y244 Y246 P247 I248H44-R205 WeakPolarHBondContact O-CD 3.35Å; H44-R205 PolarHBondContact O-NH1 3.06Å; Y46-R205 PolarHBondContact O-NH1 3.35Å; T47-R205 PolarHBondContact OG1-NH2 3.15Å; C200-R205 WeakPolarHBondContact CB-O 3.39Å; C200-R205 PolarHBondContact O-N 2.85Å; C200-R205 VanDerWaalsContact O-N 3.13Å; L203-R205 HydrophobicContact CB-CB 4.09Å; L203-R205 PolarHBondContact O-N 2.77Å; R205-Y244 HydrophobicContact CG-CD1 4.44Å; R205-Y246 WeakPolarHBondContact CG-O 3.44Å; R205-Y246 PolarHBondContact NE-O 3.12Å; R205-P247 PolarHBondContact NH2-O 2.79Å; R205-I248 HydrophobicContact CG-CD1 4.43Å; R205-I248 HydrophobicContact CG-CG1 4.16Å
206P98.9Very high93.3Very high0 Ų017.5 Ų17.50%08%0.079CC..  trans-59.3146.6178.3-24.634.6000112.9Y233 L234 Y244 P247 I248 Y306 L307P206-Y233 VanDerWaalsContact CA-O 3.27Å; P206-Y233 WeakPolarHBondContact CA-O 3.47Å; P206-L234 HydrophobicContact CB-CD2 4.12Å; P206-L234 HydrophobicContact CG-CD2 4.28Å; P206-Y244 WeakPolarHBondContact CD-O 3.24Å; P206-P247 HydrophobicContact CB-CB 4.35Å; P206-P247 CarbonylContact O-C 3.59Å; P206-P247 VanDerWaalsContact O-CA 3.31Å; P206-P247 WeakPolarHBondContact O-CA 3.33Å; P206-I248 PolarHBondContact O-N 3.29Å; P206-Y306 WeakPolarHBondContact CG-O 3.3Å; P206-L307 HydrophobicContact CB-CD2 3.78Å; P206-L307 HydrophobicContact CG-CD2 3.82Å
207I98.9Very high91.9Very high0 Ų018.7 Ų18.70%09%0.087CC..EExtended strand (participates in β ladder)trans-119.1130.3172.8-56.8177.1000108.1I196 L199 C200 L203 V209 Y233 I248 L250I196-I207 HydrophobicContact CG2-CB 4.17Å; I196-I207 HydrophobicContact CG2-CD1 4.04Å; I196-I207 HydrophobicContact CG2-CG2 3.95Å; L199-I207 HydrophobicContact CB-CD1 4.46Å; L199-I207 HydrophobicContact CD2-CD1 4.09Å; L199-I207 HydrophobicContact CG-CD1 4.09Å; C200-I207 HydrophobicContact CB-CB 4.49Å; C200-I207 HydrophobicContact CB-CD1 3.86Å; C200-I207 HydrophobicContact CB-CG1 3.83Å; L203-I207 HydrophobicContact CD1-CD1 4.46Å; I207-V209 HydrophobicContact CG2-CG2 4.18Å; I207-Y233 PolarHBondContact N-O 3.04Å; I207-Y233 PolarHBondContact O-N 3.44Å; I207-I248 CarbonylContact C-O 3.49Å; I207-I248 WeakPolarHBondContact CA-O 3.48Å; I207-I248 HydrophobicContact CG1-CB 4.25Å; I207-L250 HydrophobicContact CG2-CD1 3.82Å; I207-L250 HydrophobicContact CG2-CG 4.08Å
208I98.9Very high90.5Very high0 Ų027.5 Ų27.50%013%0.133CC..EExtended strand (participates in β ladder)trans-113.1122.7174-60.7178.7000107.7G231 I232 P247 I248 V249 L250 V273 L275 L286 A328I208-G231 WeakPolarHBondContact CA-O 3.19Å; I208-I232 HydrophobicContact CG1-CG1 4.3Å; I208-I232 HydrophobicContact CG1-CG2 4.39Å; I208-P247 HydrophobicContact CD1-CB 3.67Å; I208-P247 HydrophobicContact CD1-CG 3.71Å; I208-P247 HydrophobicContact CG1-CB 3.81Å; I208-P247 HydrophobicContact CG1-CG 4.39Å; I208-I248 PolarHBondContact N-O 3.4Å; I208-V249 WeakPolarHBondContact O-CA 3.42Å; I208-L250 PolarHBondContact O-N 3.33Å; I208-V273 HydrophobicContact CD1-CG1 3.75Å; I208-L275 HydrophobicContact CD1-CD2 3.72Å; I208-L286 HydrophobicContact CG2-CD1 4.02Å; I208-A328 HydrophobicContact CD1-CB 4.44Å
209V98.8Very high89.2Confident0 Ų036.6 Ų36.60%018%0.175CC..EExtended strand (participates in β ladder)trans-107.4121177.8-174.50000109.5I196 I207 V229 G230 G231 Y233 L250 F257I196-V209 HydrophobicContact CD1-CG2 4.22Å; I196-V209 HydrophobicContact CG2-CG2 4.47Å; I207-V209 HydrophobicContact CG2-CG2 4.18Å; V209-V229 HydrophobicContact CG1-CG1 4.15Å; V209-G230 WeakPolarHBondContact O-CA 3.37Å; V209-G231 PolarHBondContact N-O 2.9Å; V209-G231 PolarHBondContact O-N 3.18Å; V209-Y233 HydrophobicContact CB-CE2 4.32Å; V209-Y233 HydrophobicContact CG2-CD2 4.18Å; V209-Y233 HydrophobicContact CG2-CE2 3.74Å; V209-L250 CarbonylContact C-O 3.5Å; V209-L250 WeakPolarHBondContact CA-O 3.37Å; V209-L250 HydrophobicContact CG2-CB 4.43Å; V209-F257 HydrophobicContact CG1-CE1 4.13Å; V209-F257 HydrophobicContact CG2-CE1 4.44Å
210I98.1Very high87.9Confident16 Ų1640.3 Ų40.38%0.08220%0.201CC..EExtended strand (participates in β ladder)trans-97.6118.8173.7-59.3-178.5000108.2K82 L83 V249 L250 G251 Y252 L260 V273K82-I210 HydrophobicContact CB-CG2 3.89Å; L83-I210 HydrophobicContact CD1-CD1 4.14Å; I210-V249 HydrophobicContact CD1-CG1 3.99Å; I210-V249 HydrophobicContact CG1-CG1 4.33Å; I210-L250 PolarHBondContact N-O 3.14Å; I210-G251 CarbonylContact O-C 3.56Å; I210-G251 WeakPolarHBondContact O-CA 3.24Å; I210-Y252 PolarHBondContact O-N 3.18Å; I210-L260 HydrophobicContact CB-CD1 4Å; I210-L260 HydrophobicContact CD1-CD1 3.92Å; I210-L260 HydrophobicContact CG1-CD1 4.26Å; I210-V273 HydrophobicContact CD1-CG2 4.06Å
211S94.3Very high86.4Confident10 Ų1042.6 Ų42.67%0.0723%0.225CC..EExtended strand (participates in β ladder)trans-141.4168.9179.672.50000112.3G230 Y252S211-G230 VanDerWaalsContact OG-CA 3.25Å; S211-G230 WeakPolarHBondContact OG-CA 3.43Å; S211-G230 PolarHBondContact OG-N 3.47Å; S211-Y252 WeakPolarHBondContact CA-O 3.42Å; S211-Y252 VanDerWaalsContact CB-O 3.3Å; S211-Y252 WeakPolarHBondContact CB-O 3.44Å
212D83.1Confident85.3Confident21 Ų2145.6 Ų45.611%0.11225%0.246CC..  trans-63156.8160-156.3-14.7000109.4Q80 R216 L227Q80-D212 VanDerWaalsContact CD-CG 3.48Å; Q80-D212 PolarHBondContact NE2-OD2 3.13Å; Q80-D212 VanDerWaalsContact NE2-OD2 3.09Å; Q80-D212 PolarHBondContact OE1-OD1 3.06Å; Q80-D212 PolarHBondContact OE1-OD2 2.94Å; D212-R216 IonicContact OD2-CZ 2.76Å; D212-R216 IonicContact OD2-NE 2.96Å; D212-R216 IonicContact OD2-NH2 2.62Å; D212-R216 PolarHBondContact OD2-NH2 2.81Å; D212-R216 VanDerWaalsContact OD2-NH2 3.11Å; D212-L227 HydrophobicContact CB-CD1 4.13Å; D212-L227 WeakPolarHBondContact O-CB 3.46Å
213K78Confident84.3Confident45 Ų4550.3 Ų50.320%0.19627%0.271CS..SBendtrans-85.9-21.1174.7-71.9-177.2176-1770112.3P226 L227 D279 E284K213-P226 WeakPolarHBondContact O-CA 3.28Å; K213-L227 PolarHBondContact O-N 3.43Å; K213-D279 IonicContact NZ-OD2 2.8Å; K213-D279 PolarHBondContact NZ-OD2 3.26Å; K213-E284 IonicContact NZ-OE1 3.34Å; K213-E284 PolarHBondContact NZ-OE1 3.02Å; K213-E284 IonicContact NZ-OE2 3.87Å; K213-E284 PolarHBondContact NZ-OE2 3.34Å
214M75.6Confident83.1Confident69 Ų6957.8 Ų57.834%0.3430%0.304SS..EExtended strand (participates in β ladder)trans-136.3132.7-173.4-67.3-73.7175.700110.5N223 A225 P226M214-N223 HydrophobicContact CB-CB 4.41Å; M214-N223 HydrophobicContact CG-CB 4.42Å; M214-N223 HydrophobicContact SD-CB 4.4Å; M214-A225 CarbonylContact C-O 3.5Å; M214-A225 WeakPolarHBondContact CA-O 3.17Å; M214-P226 HydrophobicContact SD-CB 4.25Å
215L72.7Confident81.8Confident49 Ų4957.8 Ų57.826%0.25731%0.31SS..EExtended strand (participates in β ladder)trans-67.5140.2158.5-76169000108.7F224 A225 L227L215-F224 HydrophobicContact CB-CB 4.49Å; L215-F224 PolarHBondContact O-N 3.37Å; L215-A225 WeakPolarHBondContact CB-O 3.44Å; L215-A225 HydrophobicContact CD1-CB 4.46Å; L215-A225 PolarHBondContact N-O 2.86Å; L215-L227 HydrophobicContact CD1-CD2 3.92Å; L215-L227 HydrophobicContact CD2-CD1 4.13Å; L215-L227 HydrophobicContact CD2-CD2 3.8Å; L215-L227 HydrophobicContact CD2-CG 4.14Å; L215-L227 HydrophobicContact CG-CD1 4.22Å; L215-L227 HydrophobicContact CG-CD2 3.53Å; L215-L227 HydrophobicContact CG-CG 3.73Å
216R73.4Confident80.8Confident131 Ų13160 Ų6049%0.49432%0.324SS..EExtended strand (participates in β ladder)trans-107.5140.6174.2-69.4-179-117.8-176.1-1.2110.6D212 L218 S222D212-R216 IonicContact OD2-CZ 2.76Å; D212-R216 IonicContact OD2-NE 2.96Å; D212-R216 IonicContact OD2-NH2 2.62Å; D212-R216 PolarHBondContact OD2-NH2 2.81Å; D212-R216 VanDerWaalsContact OD2-NH2 3.11Å; R216-L218 PolarHBondContact O-N 3.38Å; R216-S222 CarbonylContact C-O 3.5Å; R216-S222 VanDerWaalsContact CA-O 3.25Å; R216-S222 WeakPolarHBondContact CA-O 3.25Å
217S69.8Low79.8Confident25 Ų2561.1 Ų61.118%0.17533%0.33CS..  trans-63.2128.7172.7167.90000109.5E219 S220 G221 S222S217-E219 PolarHBondContact O-N 3.28Å; S217-E219 PolarHBondContact OG-N 3.09Å; S217-S220 VanDerWaalsContact CB-OG 3.25Å; S217-S220 WeakPolarHBondContact CB-OG 3.05Å; S217-S220 PolarHBondContact OG-N 3.15Å; S217-S220 PolarHBondContact OG-OG 3.18Å; S217-S220 VanDerWaalsContact OG-OG 3.08Å; S217-G221 WeakPolarHBondContact O-CA 3.38Å; S217-G221 PolarHBondContact O-N 3.22Å; S217-S222 PolarHBondContact N-O 3.26Å
218L69.7Low79.2Confident185 Ų18563.5 Ų63.597%0.96934%0.34SS*.THydrogen-bonded Turntrans-63.7-28.6175.5-77.8152.4000112.4R216R216-L218 PolarHBondContact O-N 3.38Å
219E71.7Confident78.9Confident190 Ų19064 Ų6489%0.88834%0.343SS*.THydrogen-bonded Turntrans-82.2-43.4-177.1-65.5177.6173.500112.6S217S217-E219 PolarHBondContact O-N 3.28Å; S217-E219 PolarHBondContact OG-N 3.09Å
220S71.6Confident78.8Confident78 Ų7864.8 Ų64.855%0.54535%0.352SS..THydrogen-bonded Turntrans-110.6-11.2-171.260.70000114S217 S222S217-S220 VanDerWaalsContact CB-OG 3.25Å; S217-S220 WeakPolarHBondContact CB-OG 3.05Å; S217-S220 PolarHBondContact OG-N 3.15Å; S217-S220 PolarHBondContact OG-OG 3.18Å; S217-S220 VanDerWaalsContact OG-OG 3.08Å; S220-S222 PolarHBondContact O-N 3.04Å; S220-S222 PolarHBondContact OG-N 3.43Å; S220-S222 PolarHBondContact OG-OG 3.24Å
221G67Low78.8Confident48 Ų4864 Ų6450%0.49535%0.348SS..  trans65.90.2-171.700000114.5S217S217-G221 WeakPolarHBondContact O-CA 3.38Å; S217-G221 PolarHBondContact O-N 3.22Å
222S75.3Confident79Confident63 Ų6363.6 Ų63.644%0.44135%0.345SS..SBendtrans-77.5160-178.769.70000112R216 S217 S220 F224R216-S222 CarbonylContact C-O 3.5Å; R216-S222 VanDerWaalsContact CA-O 3.25Å; R216-S222 WeakPolarHBondContact CA-O 3.25Å; S217-S222 PolarHBondContact N-O 3.26Å; S220-S222 PolarHBondContact O-N 3.04Å; S220-S222 PolarHBondContact OG-N 3.43Å; S220-S222 PolarHBondContact OG-OG 3.24Å; S222-F224 PolarHBondContact O-N 3.01Å
223N77Confident79.8Confident100 Ų10062.6 Ų62.654%0.53534%0.34SS..EExtended strand (participates in β ladder)trans-62125.7175-64.7-12.5000109.7M214M214-N223 HydrophobicContact CB-CB 4.41Å; M214-N223 HydrophobicContact CG-CB 4.42Å; M214-N223 HydrophobicContact SD-CB 4.4Å
224F75.5Confident80.8Confident157 Ų15760.5 Ų60.569%0.68933%0.33SS*.EExtended strand (participates in β ladder)trans-101.4-55.8-178.2179.4-106.6000111.8L215 S222L215-F224 HydrophobicContact CB-CB 4.49Å; L215-F224 PolarHBondContact O-N 3.37Å; S222-F224 PolarHBondContact O-N 3.01Å
225A71.6Confident81.9Confident26 Ų2657.2 Ų57.222%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-151.7148.9-177.900000111.3M214 L215M214-A225 CarbonylContact C-O 3.5Å; M214-A225 WeakPolarHBondContact CA-O 3.17Å; L215-A225 WeakPolarHBondContact CB-O 3.44Å; L215-A225 HydrophobicContact CD1-CB 4.46Å; L215-A225 PolarHBondContact N-O 2.86Å
226P75.9Confident83.1Confident48 Ų4855.7 Ų55.731%0.31231%0.306SS..EExtended strand (participates in β ladder)trans-67.5135.3176.427.5-33000111.5K213 M214K213-P226 WeakPolarHBondContact O-CA 3.28Å; M214-P226 HydrophobicContact SD-CB 4.25Å
227L79.1Confident84.3Confident22 Ų2252.5 Ų52.512%0.11530%0.297CS..  trans-87.4111.3168.4-77.6174.5000109D212 K213 L215 Y252D212-L227 HydrophobicContact CB-CD1 4.13Å; D212-L227 WeakPolarHBondContact O-CB 3.46Å; K213-L227 PolarHBondContact O-N 3.43Å; L215-L227 HydrophobicContact CD1-CD2 3.92Å; L215-L227 HydrophobicContact CD2-CD1 4.13Å; L215-L227 HydrophobicContact CD2-CD2 3.8Å; L215-L227 HydrophobicContact CD2-CG 4.14Å; L215-L227 HydrophobicContact CG-CD1 4.22Å; L215-L227 HydrophobicContact CG-CD2 3.53Å; L215-L227 HydrophobicContact CG-CG 3.73Å; L227-Y252 HydrophobicContact CD2-CE1 4.05Å
228K85.5Confident85.7Confident51 Ų5152 Ų5222%0.22229%0.291CS..  trans-89.2-12.9-176.2-63174.4-165159.90113.2E151 E193 G230 H289E151-K228 WeakPolarHBondContact OE1-CE 3.03Å; E151-K228 IonicContact OE1-NZ 3.83Å; E151-K228 PolarHBondContact OE1-NZ 3.25Å; E151-K228 IonicContact OE2-NZ 2.84Å; E151-K228 PolarHBondContact OE2-NZ 3.06Å; E193-K228 VanDerWaalsContact OE1-C 3.31Å; E193-K228 VanDerWaalsContact OE1-CB 3.32Å; E193-K228 WeakPolarHBondContact OE1-CB 3.31Å; K228-G230 VanDerWaalsContact C-N 3.35Å; K228-G230 PolarHBondContact O-N 3.03Å; K228-H289 PolarHBondContact O-CE1 2.69Å; K228-H289 PolarHBondContact O-NE2 3.38Å
229V94.1Very high87Confident9 Ų945.9 Ų45.96%0.05526%0.262CS..  trans-64.6-32.1-173.3-174.90000114.2E193 I196 V209 Y233 Y252 F257E193-V229 HydrophobicContact CG-CB 4.3Å; E193-V229 HydrophobicContact CG-CG2 4.1Å; E193-V229 WeakPolarHBondContact OE1-CG2 3.28Å; E193-V229 PolarHBondContact OE1-N 2.95Å; I196-V229 HydrophobicContact CD1-CG1 3.8Å; V209-V229 HydrophobicContact CG1-CG1 4.15Å; V229-Y233 PolarHBondContact O-OH 2.86Å; V229-Y252 HydrophobicContact CB-CD1 4.16Å; V229-Y252 HydrophobicContact CB-CE1 4.17Å; V229-Y252 HydrophobicContact CG1-CD1 4.3Å; V229-Y252 HydrophobicContact CG1-CD2 4.46Å; V229-Y252 HydrophobicContact CG1-CG 4.24Å; V229-Y252 HydrophobicContact CG2-CD1 4.47Å; V229-Y252 HydrophobicContact CG2-CE1 3.99Å; V229-F257 HydrophobicContact CG1-CE1 3.98Å; V229-F257 HydrophobicContact CG1-CZ 3.74Å
230G95.9Very high88.3Confident18 Ų1837.3 Ų37.319%0.18622%0.224CC..  trans-69.8128.4-176.500000113V209 S211 K228 H289V209-G230 WeakPolarHBondContact O-CA 3.37Å; S211-G230 VanDerWaalsContact OG-CA 3.25Å; S211-G230 WeakPolarHBondContact OG-CA 3.43Å; S211-G230 PolarHBondContact OG-N 3.47Å; K228-G230 VanDerWaalsContact C-N 3.35Å; K228-G230 PolarHBondContact O-N 3.03Å; G230-H289 PolarHBondContact O-NE2 3.42Å
231G97.8Very high89.6Confident0 Ų041.2 Ų41.20%023%0.234CC..EExtended strand (participates in β ladder)trans158.1-165.1-176.600000114.1I208 V209 K287I208-G231 WeakPolarHBondContact CA-O 3.19Å; V209-G231 PolarHBondContact N-O 2.9Å; V209-G231 PolarHBondContact O-N 3.18Å; G231-K287 CarbonylContact C-O 3.52Å; G231-K287 WeakPolarHBondContact CA-O 3.3Å
232I98.9Very high91Very high1 Ų143 Ų431%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-112.5126.9-177.1-54.5170.4000108.8I208 L234 L275 L286 K287 V288 H289 L303 L307I208-I232 HydrophobicContact CG1-CG1 4.3Å; I208-I232 HydrophobicContact CG1-CG2 4.39Å; I232-L234 HydrophobicContact CG2-CD2 3.65Å; I232-L234 HydrophobicContact CG2-CG 4.15Å; I232-L275 HydrophobicContact CD1-CB 4.37Å; I232-L275 HydrophobicContact CD1-CD2 3.89Å; I232-L286 HydrophobicContact CD1-CB 3.97Å; I232-L286 HydrophobicContact CD1-CD1 4.46Å; I232-L286 HydrophobicContact CG1-CB 3.95Å; I232-L286 HydrophobicContact CG1-CD1 4.2Å; I232-K287 PolarHBondContact N-O 3.18Å; I232-V288 HydrophobicContact CB-CG2 4.33Å; I232-V288 HydrophobicContact CD1-CG2 4.24Å; I232-H289 PolarHBondContact O-N 3.02Å; I232-L303 HydrophobicContact CD1-CD2 3.84Å; I232-L303 HydrophobicContact CG2-CD2 4.17Å; I232-L307 HydrophobicContact CG2-CD1 4.31Å
233Y98.9Very high92.2Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-113.5113.2177.5-60.4-99.3000108.7E193 I196 F197 P206 I207 V209 V229 H289 F290E193-Y233 HydrophobicContact CB-CE1 4.17Å; E193-Y233 WeakPolarHBondContact CG-OH 3.48Å; E193-Y233 WeakPolarHBondContact O-CE1 3.43Å; I196-Y233 HydrophobicContact CB-CD1 3.88Å; I196-Y233 HydrophobicContact CB-CD2 4.48Å; I196-Y233 HydrophobicContact CB-CE1 3.79Å; I196-Y233 HydrophobicContact CB-CE2 4.44Å; I196-Y233 HydrophobicContact CB-CG 4.23Å; I196-Y233 HydrophobicContact CD1-CE1 4.34Å; I196-Y233 HydrophobicContact CD1-CE2 4.21Å; I196-Y233 HydrophobicContact CG2-CD1 3.85Å; I196-Y233 HydrophobicContact CG2-CD2 3.7Å; I196-Y233 HydrophobicContact CG2-CE1 4.06Å; I196-Y233 HydrophobicContact CG2-CE2 3.96Å; I196-Y233 HydrophobicContact CG2-CG 3.66Å; F197-Y233 HydrophobicContact CB-CD1 4.04Å; P206-Y233 VanDerWaalsContact CA-O 3.27Å; P206-Y233 WeakPolarHBondContact CA-O 3.47Å; I207-Y233 PolarHBondContact N-O 3.04Å; I207-Y233 PolarHBondContact O-N 3.44Å; V209-Y233 HydrophobicContact CB-CE2 4.32Å; V209-Y233 HydrophobicContact CG2-CD2 4.18Å; V209-Y233 HydrophobicContact CG2-CE2 3.74Å; V229-Y233 PolarHBondContact O-OH 2.86Å; Y233-H289 HydrophobicContact CD1-CB 3.85Å; Y233-H289 HydrophobicContact CE1-CB 3.77Å; Y233-H289 AromaticContact CE1-CD2 3.93Å; Y233-H289 AromaticContact CE1-CG 3.66Å; Y233-H289 AromaticContact CE2-CD2 3.8Å; Y233-H289 HydrophobicContact CG-CB 4.48Å; Y233-H289 AromaticContact CZ-CD2 3.55Å; Y233-H289 AromaticContact CZ-CE1 3.98Å; Y233-H289 AromaticContact CZ-CG 3.74Å; Y233-H289 AromaticContact CZ-NE2 3.75Å; Y233-H289 PolarHBondContact OH-CE1 2.77Å; Y233-H289 PolarHBondContact OH-NE2 3.46Å; Y233-F290 HydrophobicContact CD1-CD2 4.35Å; Y233-F290 HydrophobicContact CD1-CE2 4.26Å; Y233-F290 HydrophobicContact CE1-CD2 4.37Å; Y233-F290 AromaticContact CE1-CE2 3.89Å; Y233-F290 HydrophobicContact CE1-CE2 3.89Å
234L98.9Very high93.2Very high0 Ų037.7 Ų37.70%019%0.194CC..  trans-100.2142.2-178-59.4-176.9000111F197 C200 P206 I232 L236 V288 L302 L303 Y306F197-L234 WeakPolarHBondContact CE2-O 3.45Å; C200-L234 PolarHBondContact SG-O 3.4Å; C200-L234 VanDerWaalsContact SG-O 3.37Å; P206-L234 HydrophobicContact CB-CD2 4.12Å; P206-L234 HydrophobicContact CG-CD2 4.28Å; I232-L234 HydrophobicContact CG2-CD2 3.65Å; I232-L234 HydrophobicContact CG2-CG 4.15Å; L234-L236 HydrophobicContact CB-CD2 3.83Å; L234-L236 HydrophobicContact CB-CG 3.89Å; L234-L236 HydrophobicContact CD1-CD2 4.29Å; L234-L236 PolarHBondContact O-N 3Å; L234-V288 HydrophobicContact CD1-CG1 4.13Å; L234-V288 HydrophobicContact CG-CG1 4.34Å; L234-L302 HydrophobicContact CD1-CB 4.25Å; L234-L303 HydrophobicContact CD1-CD2 4.37Å; L234-Y306 HydrophobicContact CB-CG 4.48Å; L234-Y306 HydrophobicContact CD1-CD2 4.26Å; L234-Y306 HydrophobicContact CD1-CG 4.49Å; L234-Y306 HydrophobicContact CD2-CG 4.48Å
235P98.8Very high94.3Very high0 Ų034.7 Ų34.70%018%0.178CC..  trans-77.164.7177.532.4-36.1000111.9N201 H237 W238 C243 Y306N201-P235 VanDerWaalsContact OD1-CA 3.24Å; N201-P235 WeakPolarHBondContact OD1-CA 3.3Å; N201-P235 PolarHBondContact OD1-O 2.91Å; P235-H237 PolarHBondContact O-N 3.29Å; P235-H237 VanDerWaalsContact O-N 3.11Å; P235-W238 PolarHBondContact O-N 2.88Å; P235-C243 HydrophobicContact CG-CB 4.05Å; P235-C243 VanDerWaalsContact CG-SG 3.5Å; P235-Y306 HydrophobicContact CG-CD1 3.72Å; P235-Y306 HydrophobicContact CG-CE1 3.88Å; P235-Y306 WeakPolarHBondContact O-CE1 3.41Å
236L98.7Very high95.6Very high17 Ų1736.2 Ų36.29%0.08918%0.179CC..THydrogen-bonded Turntrans-68.7-7.4-170.7-61169.8000114.8F197 N201 L234 L291 L302 Y306F197-L236 HydrophobicContact CE2-CB 4.44Å; F197-L236 HydrophobicContact CE2-CD1 3.95Å; F197-L236 HydrophobicContact CE2-CG 4.26Å; F197-L236 HydrophobicContact CZ-CB 4.19Å; F197-L236 HydrophobicContact CZ-CD1 4.11Å; F197-L236 HydrophobicContact CZ-CG 4.44Å; N201-L236 PolarHBondContact OD1-N 3.42Å; L234-L236 HydrophobicContact CB-CD2 3.83Å; L234-L236 HydrophobicContact CB-CG 3.89Å; L234-L236 HydrophobicContact CD1-CD2 4.29Å; L234-L236 PolarHBondContact O-N 3Å; L236-L291 HydrophobicContact CD1-CD2 3.62Å; L236-L302 HydrophobicContact CD2-CD2 4.4Å; L236-Y306 HydrophobicContact CD2-CE2 3.95Å
237H98.3Very high96.7Very high64 Ų6433.9 Ų33.930%0.29616%0.164SC..THydrogen-bonded Turntrans-85.62.3171.7-64.6-173.1000112.6N137 F138 N201 P235N137-H237 PolarHBondContact OD1-NE2 3.11Å; F138-H237 AromaticContact CD1-CE1 3.46Å; F138-H237 VanDerWaalsContact CD1-CE1 3.46Å; F138-H237 WeakPolarHBondContact CD1-CE1 3.46Å; F138-H237 AromaticContact CD2-CE1 3.8Å; F138-H237 AromaticContact CE1-CE1 3.18Å; F138-H237 WeakPolarHBondContact CE1-CE1 3.28Å; F138-H237 AromaticContact CE1-ND1 3.52Å; F138-H237 AromaticContact CE1-NE2 3.86Å; F138-H237 AromaticContact CE2-CE1 3.54Å; F138-H237 AromaticContact CE2-ND1 3.62Å; F138-H237 AromaticContact CG-CE1 3.76Å; F138-H237 AromaticContact CZ-CE1 3.22Å; F138-H237 WeakPolarHBondContact CZ-CE1 3.18Å; F138-H237 AromaticContact CZ-ND1 3.17Å; F138-H237 WeakPolarHBondContact CZ-ND1 3.41Å; N201-H237 VanDerWaalsContact OD1-CB 3.28Å; N201-H237 WeakPolarHBondContact OD1-CB 3.35Å; N201-H237 PolarHBondContact OD1-N 3.01Å; P235-H237 PolarHBondContact O-N 3.29Å; P235-H237 VanDerWaalsContact O-N 3.11Å
238W98.5Very high97.6Very high16 Ų1632.9 Ų32.96%0.06116%0.158CC..SBendtrans-124.8142.2176.3-68.892.5000110.4I36 I37 H39 N201 R204 P235 E242 C243 Y306I36-W238 HydrophobicContact CG2-CH2 3.38Å; I36-W238 HydrophobicContact CG2-CZ2 3.48Å; I36-W238 VanDerWaalsContact CG2-CZ2 3.48Å; I36-W238 HydrophobicContact CG2-CZ3 4.28Å; I37-W238 HydrophobicContact CG2-CZ2 3.76Å; H39-W238 HydrophobicContact CB-CZ2 4.07Å; H39-W238 AromaticContact CE1-CH2 3.43Å; H39-W238 VanDerWaalsContact CE1-CH2 3.43Å; H39-W238 WeakPolarHBondContact CE1-CH2 3.42Å; H39-W238 AromaticContact CE1-CZ2 3.85Å; H39-W238 AromaticContact CG-CH2 3.94Å; H39-W238 AromaticContact CG-CZ2 3.68Å; H39-W238 AromaticContact ND1-CH2 3.48Å; H39-W238 WeakPolarHBondContact ND1-CH2 3.47Å; H39-W238 AromaticContact ND1-CZ2 3.37Å; H39-W238 WeakPolarHBondContact ND1-CZ2 3.44Å; H39-W238 AromaticContact NE2-CH2 3.91Å; N201-W238 PolarHBondContact O-NE1 3.33Å; R204-W238 HydrophobicContact CG-CD2 3.8Å; R204-W238 HydrophobicContact CG-CG 3.87Å; R204-W238 HydrophobicContact CG-CZ2 4.18Å; P235-W238 PolarHBondContact O-N 2.88Å; W238-E242 HydrophobicContact CE3-CB 4.22Å; W238-E242 VanDerWaalsContact CE3-OE2 3.28Å; W238-E242 VanDerWaalsContact CZ3-OE2 3.23Å; W238-E242 WeakPolarHBondContact CZ3-OE2 3.29Å; W238-C243 WeakPolarHBondContact CB-SG 3.42Å; W238-Y306 WeakPolarHBondContact O-CE1 3.38Å; W238-Y306 PolarHBondContact O-OH 2.89Å
239P98.4Very high98.3Very high55 Ų5530.4 Ų30.436%0.35715%0.148SC..  trans-59.2139164.6-2032.7000110.6Q241 E242P239-Q241 HydrophobicContact CB-CG 4.29Å; P239-Q241 VanDerWaalsContact CB-OE1 3.25Å; P239-Q241 PolarHBondContact O-N 3.47Å; P239-E242 PolarHBondContact O-N 3.15Å
240A98.4Very high98.5Very high11 Ų1130 Ų309%0.09115%0.145CC..G310 helixtrans-56.8-29.3-175.600000113.8E242 C243 E305 Y306A240-E242 PolarHBondContact O-N 3.42Å; A240-C243 PolarHBondContact O-N 3.5Å; A240-C243 VanDerWaalsContact O-N 3.13Å; A240-E305 HydrophobicContact CB-CB 3.89Å; A240-Y306 HydrophobicContact CB-CD1 3.95Å; A240-Y306 HydrophobicContact CB-CD2 4.08Å; A240-Y306 HydrophobicContact CB-CE1 3.92Å; A240-Y306 HydrophobicContact CB-CE2 4.03Å; A240-Y306 HydrophobicContact CB-CG 4.05Å
241Q98.1Very high98.6Very high160 Ų16029.1 Ų29.175%0.74814%0.136SC*.G310 helixtrans-66.4-19.5176.266.8-87.418.800114.3P239P239-Q241 HydrophobicContact CB-CG 4.29Å; P239-Q241 VanDerWaalsContact CB-OE1 3.25Å; P239-Q241 PolarHBondContact O-N 3.47Å
242E98.4Very high98.6Very high84 Ų8430 Ų3039%0.39314%0.14SC..G310 helixtrans-95.91.3176.2-65.1-178.7-14400112.5W238 P239 A240W238-E242 HydrophobicContact CE3-CB 4.22Å; W238-E242 VanDerWaalsContact CE3-OE2 3.28Å; W238-E242 VanDerWaalsContact CZ3-OE2 3.23Å; W238-E242 WeakPolarHBondContact CZ3-OE2 3.29Å; P239-E242 PolarHBondContact O-N 3.15Å; A240-E242 PolarHBondContact O-N 3.42Å
243C98.8Very high98.3Very high14 Ų1431.1 Ų31.110%0.09515%0.146CC..SBendtrans-104.7155.8-179.1-60.60000112.4R204 P235 W238 A240 Y306R204-C243 CarbonylContact O-C 3.55Å; R204-C243 WeakPolarHBondContact O-CA 3.11Å; R204-C243 VanDerWaalsContact O-CB 3.29Å; R204-C243 WeakPolarHBondContact O-CB 3.32Å; P235-C243 HydrophobicContact CG-CB 4.05Å; P235-C243 VanDerWaalsContact CG-SG 3.5Å; W238-C243 WeakPolarHBondContact CB-SG 3.42Å; A240-C243 PolarHBondContact O-N 3.5Å; A240-C243 VanDerWaalsContact O-N 3.13Å; C243-Y306 HydrophobicContact CB-CD1 4.43Å
244Y98.8Very high97.7Very high38 Ų3835.5 Ų35.515%0.14918%0.176CC..  trans-85.8121.9169.1-161.4-117.7000110.1R45 R204 R205 P206 Y246 D331 N334R45-Y244 HydrophobicContact CB-CD2 4.03Å; R45-Y244 HydrophobicContact CB-CE1 4.41Å; R45-Y244 HydrophobicContact CB-CE2 3.96Å; R45-Y244 HydrophobicContact CB-CG 4.29Å; R45-Y244 HydrophobicContact CG-CD2 3.67Å; R45-Y244 HydrophobicContact CG-CE2 4.05Å; R45-Y244 HydrophobicContact CG-CG 4Å; R45-Y244 WeakPolarHBondContact O-CE1 3.22Å; R204-Y244 PolarHBondContact O-N 3.46Å; R205-Y244 HydrophobicContact CG-CD1 4.44Å; P206-Y244 WeakPolarHBondContact CD-O 3.24Å; Y244-Y246 VanDerWaalsContact C-N 3.35Å; Y244-Y246 HydrophobicContact CD1-CD2 4.3Å; Y244-Y246 AromaticContact CE1-CD2 3.67Å; Y244-Y246 HydrophobicContact CE1-CD2 3.67Å; Y244-Y246 HydrophobicContact CE1-CG 4.2Å; Y244-Y246 HydrophobicContact CE2-CD2 4.11Å; Y244-Y246 AromaticContact CZ-CD2 3.57Å; Y244-Y246 PolarHBondContact O-N 3.04Å; Y244-D331 VanDerWaalsContact CE1-OD2 3.3Å; Y244-D331 WeakPolarHBondContact CE1-OD2 3.47Å; Y244-D331 PolarHBondContact OH-OD1 3.11Å; Y244-D331 PolarHBondContact OH-OD2 2.91Å; Y244-N334 PolarHBondContact OH-ND2 3.49Å
245R98.8Very high97.2Very high95 Ų9541.1 Ų41.136%0.35820%0.203SC..  trans-88.44.5-166.6-62.4174.966.7-150.8-0.2115.2K304 E305 Y306 L307 M308R245-K304 PolarHBondContact NH2-O 3.41Å; R245-E305 PolarHBondContact NE-O 3.27Å; R245-Y306 WeakPolarHBondContact CA-O 3.28Å; R245-L307 PolarHBondContact NH2-O 2.88Å; R245-L307 VanDerWaalsContact NH2-O 3.13Å; R245-M308 HydrophobicContact CB-CG 4.13Å; R245-M308 PolarHBondContact O-N 2.98Å
246Y98.8Very high97.1Very high57 Ų5742.6 Ų42.622%0.22421%0.209CC..SBendtrans-99.2124.2171.6-62.3-83.5000109.3R205 Y244 M308 K329 L330 D331R205-Y246 WeakPolarHBondContact CG-O 3.44Å; R205-Y246 PolarHBondContact NE-O 3.12Å; Y244-Y246 VanDerWaalsContact C-N 3.35Å; Y244-Y246 HydrophobicContact CD1-CD2 4.3Å; Y244-Y246 AromaticContact CE1-CD2 3.67Å; Y244-Y246 HydrophobicContact CE1-CD2 3.67Å; Y244-Y246 HydrophobicContact CE1-CG 4.2Å; Y244-Y246 HydrophobicContact CE2-CD2 4.11Å; Y244-Y246 AromaticContact CZ-CD2 3.57Å; Y244-Y246 PolarHBondContact O-N 3.04Å; Y246-M308 HydrophobicContact CD1-SD 4.49Å; Y246-M308 HydrophobicContact CE1-SD 3.74Å; Y246-M308 HydrophobicContact CE2-SD 4Å; Y246-M308 PolarHBondContact OH-SD 3Å; Y246-K329 HydrophobicContact CD1-CB 4.4Å; Y246-K329 HydrophobicContact CE1-CB 4.12Å; Y246-L330 VanDerWaalsContact CD1-C 3.5Å; Y246-D331 HydrophobicContact CD1-CB 3.95Å; Y246-D331 HydrophobicContact CD2-CB 4.19Å; Y246-D331 HydrophobicContact CG-CB 3.69Å
247P98.9Very high97Very high0 Ų042 Ų420%021%0.206CC..PPolyproline II helixtrans-72.4159.4-173.330.5-34.5000112Y111 R205 P206 I208 V249 V273 L307 A328 K329 L330Y111-P247 PolarHBondContact OH-O 3.34Å; R205-P247 PolarHBondContact NH2-O 2.79Å; P206-P247 HydrophobicContact CB-CB 4.35Å; P206-P247 CarbonylContact O-C 3.59Å; P206-P247 VanDerWaalsContact O-CA 3.31Å; P206-P247 WeakPolarHBondContact O-CA 3.33Å; I208-P247 HydrophobicContact CD1-CB 3.67Å; I208-P247 HydrophobicContact CD1-CG 3.71Å; I208-P247 HydrophobicContact CG1-CB 3.81Å; I208-P247 HydrophobicContact CG1-CG 4.39Å; P247-V249 HydrophobicContact CG-CG2 4.43Å; P247-V273 HydrophobicContact CG-CG1 4.31Å; P247-L307 HydrophobicContact CB-CD2 3.95Å; P247-L307 HydrophobicContact CG-CD2 4.11Å; P247-A328 HydrophobicContact CG-CB 4.31Å; P247-K329 WeakPolarHBondContact CD-O 3.46Å; P247-L330 HydrophobicContact CG-CD2 3.74Å
248I98.9Very high97.1Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-86.8131.9157.5-63.4178000106.9T108 Y111 M112 L203 R205 P206 I207 I208 L250T108-I248 HydrophobicContact CG2-CD1 3.87Å; Y111-I248 HydrophobicContact CD1-CB 4.08Å; Y111-I248 HydrophobicContact CD1-CG1 3.92Å; Y111-I248 HydrophobicContact CD1-CG2 3.84Å; Y111-I248 HydrophobicContact CD2-CG2 4.22Å; Y111-I248 HydrophobicContact CE1-CB 4.31Å; Y111-I248 HydrophobicContact CE1-CG1 4.24Å; Y111-I248 HydrophobicContact CE1-CG2 4.45Å; Y111-I248 HydrophobicContact CG-CB 4.45Å; Y111-I248 HydrophobicContact CG-CG2 3.73Å; M112-I248 HydrophobicContact CE-CD1 4.33Å; M112-I248 HydrophobicContact CG-CD1 3.83Å; M112-I248 HydrophobicContact CG-CG1 4.4Å; M112-I248 HydrophobicContact SD-CD1 3.68Å; L203-I248 HydrophobicContact CD1-CD1 3.8Å; R205-I248 HydrophobicContact CG-CD1 4.43Å; R205-I248 HydrophobicContact CG-CG1 4.16Å; P206-I248 PolarHBondContact O-N 3.29Å; I207-I248 CarbonylContact C-O 3.49Å; I207-I248 WeakPolarHBondContact CA-O 3.48Å; I207-I248 HydrophobicContact CG1-CB 4.25Å; I208-I248 PolarHBondContact N-O 3.4Å; I248-L250 HydrophobicContact CG2-CD2 3.81Å; I248-L250 HydrophobicContact CG2-CG 4.16Å
249V98.9Very high97.1Very high0 Ų038.2 Ų38.20%019%0.189CC..EExtended strand (participates in β ladder)trans-112.2121.6-179.5-167.80000109.9L92 Y111 I208 I210 P247 L260 V273 L330L92-V249 HydrophobicContact CD1-CG1 4.16Å; Y111-V249 WeakPolarHBondContact CD2-O 3.25Å; Y111-V249 HydrophobicContact CE2-CB 4.03Å; Y111-V249 HydrophobicContact CE2-CG2 4.41Å; Y111-V249 VanDerWaalsContact CE2-N 3.3Å; I208-V249 WeakPolarHBondContact O-CA 3.42Å; I210-V249 HydrophobicContact CD1-CG1 3.99Å; I210-V249 HydrophobicContact CG1-CG1 4.33Å; P247-V249 HydrophobicContact CG-CG2 4.43Å; V249-L260 HydrophobicContact CB-CB 4.3Å; V249-L260 HydrophobicContact CG1-CB 3.97Å; V249-L260 HydrophobicContact CG1-CD1 4.14Å; V249-L260 PolarHBondContact O-N 2.96Å; V249-V273 HydrophobicContact CG1-CG2 4.42Å; V249-V273 HydrophobicContact CG2-CG1 4.27Å; V249-L330 HydrophobicContact CG2-CD2 3.54Å
250L98.9Very high97.1Very high0 Ų035.6 Ų35.60%017%0.172CC..EExtended strand (participates in β ladder)trans-117.4144.3-179.9-53.9-177.3000110.3L104 A107 I207 I208 V209 I210 I248 F257 V258L104-L250 HydrophobicContact CD1-CD1 3.87Å; A107-L250 HydrophobicContact CB-CD2 3.92Å; I207-L250 HydrophobicContact CG2-CD1 3.82Å; I207-L250 HydrophobicContact CG2-CG 4.08Å; I208-L250 PolarHBondContact O-N 3.33Å; V209-L250 CarbonylContact C-O 3.5Å; V209-L250 WeakPolarHBondContact CA-O 3.37Å; V209-L250 HydrophobicContact CG2-CB 4.43Å; I210-L250 PolarHBondContact N-O 3.14Å; I248-L250 HydrophobicContact CG2-CD2 3.81Å; I248-L250 HydrophobicContact CG2-CG 4.16Å; L250-F257 HydrophobicContact CB-CD1 4.44Å; L250-F257 HydrophobicContact CD1-CD1 4.23Å; L250-V258 CarbonylContact C-O 3.56Å; L250-V258 VanDerWaalsContact CA-O 3.31Å; L250-V258 WeakPolarHBondContact CA-O 3.15Å
251G98.4Very high97.1Very high0 Ų035.1 Ų35.10%017%0.168CC..EExtended strand (participates in β ladder)trans-97.4140.7166.200000109.2I210 F257 V258I210-G251 CarbonylContact O-C 3.56Å; I210-G251 WeakPolarHBondContact O-CA 3.24Å; G251-F257 WeakPolarHBondContact O-CA 3.4Å; G251-V258 PolarHBondContact N-O 3.23Å; G251-V258 PolarHBondContact O-N 3.1Å
252Y97.2Very high97Very high18 Ų1827.6 Ų27.67%0.07113%0.133CC..EExtended strand (participates in β ladder)trans-133.3121.7175.4178.5-95.5000110.7I210 S211 L227 V229 H255 H256 F257I210-Y252 PolarHBondContact O-N 3.18Å; S211-Y252 WeakPolarHBondContact CA-O 3.42Å; S211-Y252 VanDerWaalsContact CB-O 3.3Å; S211-Y252 WeakPolarHBondContact CB-O 3.44Å; L227-Y252 HydrophobicContact CD2-CE1 4.05Å; V229-Y252 HydrophobicContact CB-CD1 4.16Å; V229-Y252 HydrophobicContact CB-CE1 4.17Å; V229-Y252 HydrophobicContact CG1-CD1 4.3Å; V229-Y252 HydrophobicContact CG1-CD2 4.46Å; V229-Y252 HydrophobicContact CG1-CG 4.24Å; V229-Y252 HydrophobicContact CG2-CD1 4.47Å; V229-Y252 HydrophobicContact CG2-CE1 3.99Å; Y252-H255 WeakPolarHBondContact OH-CA 3.38Å; Y252-H255 PolarHBondContact OH-ND1 3.15Å; Y252-H255 VanDerWaalsContact OH-ND1 3.12Å; Y252-H256 WeakPolarHBondContact CA-O 3.45Å; Y252-F257 AromaticContact CD2-CD1 3.8Å; Y252-F257 HydrophobicContact CD2-CD1 3.8Å; Y252-F257 AromaticContact CD2-CD2 3.83Å; Y252-F257 HydrophobicContact CD2-CD2 3.83Å; Y252-F257 AromaticContact CD2-CE1 3.55Å; Y252-F257 HydrophobicContact CD2-CE1 3.55Å; Y252-F257 AromaticContact CD2-CE2 3.59Å; Y252-F257 HydrophobicContact CD2-CE2 3.59Å; Y252-F257 AromaticContact CD2-CG 3.93Å; Y252-F257 HydrophobicContact CD2-CG 3.93Å; Y252-F257 AromaticContact CD2-CZ 3.44Å; Y252-F257 HydrophobicContact CD2-CZ 3.44Å; Y252-F257 VanDerWaalsContact CD2-CZ 3.44Å; Y252-F257 HydrophobicContact CE2-CD2 4.12Å; Y252-F257 HydrophobicContact CE2-CE1 4.36Å; Y252-F257 AromaticContact CE2-CE2 3.65Å; Y252-F257 HydrophobicContact CE2-CE2 3.65Å; Y252-F257 AromaticContact CE2-CZ 3.78Å; Y252-F257 HydrophobicContact CE2-CZ 3.78Å; Y252-F257 HydrophobicContact CG-CD1 4.41Å; Y252-F257 HydrophobicContact CG-CE1 4.08Å; Y252-F257 HydrophobicContact CG-CZ 4.26Å
253D92.6Very high96.7Very high24 Ų2425 Ų2513%0.12812%0.122CC..EExtended strand (participates in β ladder)trans-151.2147.5172.9-173.619.9000109.3I73 S76 H255 H256I73-D253 HydrophobicContact CG1-CB 4.22Å; I73-D253 HydrophobicContact CG2-CB 4.28Å; S76-D253 WeakPolarHBondContact CB-OD2 3.31Å; S76-D253 PolarHBondContact OG-OD2 3.38Å; D253-H255 VanDerWaalsContact C-N 3.26Å; D253-H255 PolarHBondContact O-N 3.49Å; D253-H255 VanDerWaalsContact O-N 3.14Å; D253-H256 PolarHBondContact N-O 2.87Å; D253-H256 WeakPolarHBondContact O-CB 3.43Å; D253-H256 PolarHBondContact O-N 2.66Å
254S86.9Confident96.1Very high92 Ų9228.5 Ų28.564%0.64314%0.135SC*.THydrogen-bonded Turntrans48.443.9176.3-59.30000114.3H256S254-H256 PolarHBondContact O-N 3.49Å
255H88.7Confident95.2Very high119 Ų11929.4 Ų29.455%0.55114%0.143SC*.THydrogen-bonded Turntrans60.725.4-177.3-54.9-73.6000115.3Y252 D253Y252-H255 WeakPolarHBondContact OH-CA 3.38Å; Y252-H255 PolarHBondContact OH-ND1 3.15Å; Y252-H255 VanDerWaalsContact OH-ND1 3.12Å; D253-H255 VanDerWaalsContact C-N 3.26Å; D253-H255 PolarHBondContact O-N 3.49Å; D253-H255 VanDerWaalsContact O-N 3.14Å
256H94.9Very high94Very high30 Ų3030.3 Ų30.314%0.13916%0.164CC..EExtended strand (participates in β ladder)trans-126.8131.2-178.6-166.556.7000112I73 T97 N98 Y252 D253 S254I73-H256 HydrophobicContact CD1-CB 4.15Å; T97-H256 PolarHBondContact O-CE1 2.86Å; T97-H256 VanDerWaalsContact O-CE1 3.28Å; T97-H256 PolarHBondContact O-NE2 3.3Å; T97-H256 VanDerWaalsContact O-NE2 3.14Å; N98-H256 PolarHBondContact O-CE1 3.45Å; Y252-H256 WeakPolarHBondContact CA-O 3.45Å; D253-H256 PolarHBondContact N-O 2.87Å; D253-H256 WeakPolarHBondContact O-CB 3.43Å; D253-H256 PolarHBondContact O-N 2.66Å; S254-H256 PolarHBondContact O-N 3.49Å
257F98.3Very high93.2Very high6 Ų628.5 Ų28.53%0.02616%0.162CC..EExtended strand (participates in β ladder)trans-97.2137.3174.9-72.5-84.5000111.4T97 C103 L104 A107 I196 V209 V229 L250 G251 Y252T97-F257 WeakPolarHBondContact CB-O 3.11Å; T97-F257 WeakPolarHBondContact CG2-O 3.31Å; C103-F257 HydrophobicContact CB-CB 4.37Å; C103-F257 PolarHBondContact SG-N 2.98Å; L104-F257 HydrophobicContact CB-CD2 3.87Å; L104-F257 HydrophobicContact CB-CE2 4.16Å; L104-F257 HydrophobicContact CB-CG 4.31Å; L104-F257 HydrophobicContact CD1-CD1 4.17Å; L104-F257 HydrophobicContact CD1-CD2 4.42Å; L104-F257 HydrophobicContact CD1-CE1 4.17Å; L104-F257 HydrophobicContact CD1-CE2 4.42Å; L104-F257 HydrophobicContact CD1-CG 4.3Å; L104-F257 HydrophobicContact CD1-CZ 4.29Å; A107-F257 HydrophobicContact CB-CB 4.03Å; I196-F257 HydrophobicContact CD1-CE1 3.98Å; I196-F257 HydrophobicContact CD1-CZ 3.79Å; V209-F257 HydrophobicContact CG1-CE1 4.13Å; V209-F257 HydrophobicContact CG2-CE1 4.44Å; V229-F257 HydrophobicContact CG1-CE1 3.98Å; V229-F257 HydrophobicContact CG1-CZ 3.74Å; L250-F257 HydrophobicContact CB-CD1 4.44Å; L250-F257 HydrophobicContact CD1-CD1 4.23Å; G251-F257 WeakPolarHBondContact O-CA 3.4Å; Y252-F257 AromaticContact CD2-CD1 3.8Å; Y252-F257 HydrophobicContact CD2-CD1 3.8Å; Y252-F257 AromaticContact CD2-CD2 3.83Å; Y252-F257 HydrophobicContact CD2-CD2 3.83Å; Y252-F257 AromaticContact CD2-CE1 3.55Å; Y252-F257 HydrophobicContact CD2-CE1 3.55Å; Y252-F257 AromaticContact CD2-CE2 3.59Å; Y252-F257 HydrophobicContact CD2-CE2 3.59Å; Y252-F257 AromaticContact CD2-CG 3.93Å; Y252-F257 HydrophobicContact CD2-CG 3.93Å; Y252-F257 AromaticContact CD2-CZ 3.44Å; Y252-F257 HydrophobicContact CD2-CZ 3.44Å; Y252-F257 VanDerWaalsContact CD2-CZ 3.44Å; Y252-F257 HydrophobicContact CE2-CD2 4.12Å; Y252-F257 HydrophobicContact CE2-CE1 4.36Å; Y252-F257 AromaticContact CE2-CE2 3.65Å; Y252-F257 HydrophobicContact CE2-CE2 3.65Å; Y252-F257 AromaticContact CE2-CZ 3.78Å; Y252-F257 HydrophobicContact CE2-CZ 3.78Å; Y252-F257 HydrophobicContact CG-CD1 4.41Å; Y252-F257 HydrophobicContact CG-CE1 4.08Å; Y252-F257 HydrophobicContact CG-CZ 4.26Å
258V98.7Very high92.7Very high0 Ų034.6 Ų34.60%020%0.202CC..EExtended strand (participates in β ladder)trans-134.1148.3173.1-67.60000110.8D70 I73 A94 L95 L250 G251D70-V258 HydrophobicContact CB-CG1 4.36Å; I73-V258 HydrophobicContact CB-CG2 4.35Å; I73-V258 HydrophobicContact CD1-CG1 3.75Å; I73-V258 HydrophobicContact CD1-CG2 4.1Å; I73-V258 HydrophobicContact CG2-CG2 3.73Å; A94-V258 HydrophobicContact CB-CB 4.4Å; A94-V258 HydrophobicContact CB-CG2 3.83Å; L95-V258 WeakPolarHBondContact O-CB 3.23Å; L95-V258 WeakPolarHBondContact O-CG1 3.17Å; L250-V258 CarbonylContact C-O 3.56Å; L250-V258 VanDerWaalsContact CA-O 3.31Å; L250-V258 WeakPolarHBondContact CA-O 3.15Å; G251-V258 PolarHBondContact N-O 3.23Å; G251-V258 PolarHBondContact O-N 3.1Å
259P98.8Very high92.5Very high0 Ų038.2 Ų38.20%022%0.219CC..EExtended strand (participates in β ladder)trans-76.5133.8172.332.7-33.5000110.1A94 L95 T97 A107 Q110 Y111 V261A94-P259 WeakPolarHBondContact CA-O 3.49Å; L95-P259 HydrophobicContact CB-CG 3.84Å; L95-P259 HydrophobicContact CD1-CG 4.27Å; L95-P259 HydrophobicContact CG-CG 4.28Å; L95-P259 PolarHBondContact N-O 3.14Å; L95-P259 VanDerWaalsContact N-O 3.14Å; T97-P259 VanDerWaalsContact OG1-CD 3.28Å; T97-P259 WeakPolarHBondContact OG1-CD 3.5Å; A107-P259 WeakPolarHBondContact O-CB 3.23Å; Q110-P259 HydrophobicContact CB-CB 4.48Å; Q110-P259 HydrophobicContact CB-CG 3.88Å; Y111-P259 HydrophobicContact CD2-CB 4.24Å; P259-V261 HydrophobicContact CB-CG1 4.24Å
260L98.8Very high92.3Very high0 Ų041.5 Ų41.50%024%0.236CC..EExtended strand (participates in β ladder)trans-101.191.3174-69.2175.8000109.4L83 L92 V93 A94 Y111 I210 V249L83-L260 HydrophobicContact CD1-CD1 3.8Å; L83-L260 HydrophobicContact CD1-CD2 4.18Å; L83-L260 HydrophobicContact CD2-CD2 3.71Å; L92-L260 HydrophobicContact CB-CB 4.26Å; L92-L260 HydrophobicContact CD1-CB 4.29Å; V93-L260 WeakPolarHBondContact O-CA 3.47Å; A94-L260 HydrophobicContact CB-CD2 3.85Å; Y111-L260 WeakPolarHBondContact CE2-O 3.24Å; I210-L260 HydrophobicContact CB-CD1 4Å; I210-L260 HydrophobicContact CD1-CD1 3.92Å; I210-L260 HydrophobicContact CG1-CD1 4.26Å; V249-L260 HydrophobicContact CB-CB 4.3Å; V249-L260 HydrophobicContact CG1-CB 3.97Å; V249-L260 HydrophobicContact CG1-CD1 4.14Å; V249-L260 PolarHBondContact O-N 2.96Å
261V98.3Very high92.2Very high0 Ų043.5 Ų43.50%024%0.243CC..EExtended strand (participates in β ladder)trans-94.1148.9-174.2-60.20000111.6L48 M50 L92 V93 L95 Y111 P259L48-V261 HydrophobicContact CD2-CB 4.32Å; L48-V261 HydrophobicContact CD2-CG1 4.01Å; L48-V261 HydrophobicContact CD2-CG2 4.38Å; M50-V261 HydrophobicContact CB-CG2 3.84Å; L92-V261 CarbonylContact C-O 3.53Å; L92-V261 WeakPolarHBondContact CA-O 3.3Å; V93-V261 HydrophobicContact CG2-CG2 3.77Å; V93-V261 PolarHBondContact N-O 3.49Å; V93-V261 PolarHBondContact O-N 3.03Å; L95-V261 HydrophobicContact CD1-CG1 4.19Å; L95-V261 HydrophobicContact CD1-CG2 3.99Å; L95-V261 HydrophobicContact CD2-CG2 4.16Å; L95-V261 HydrophobicContact CG-CG2 3.89Å; Y111-V261 HydrophobicContact CD2-CG1 4.04Å; Y111-V261 HydrophobicContact CE2-CG1 4.44Å; P259-V261 HydrophobicContact CB-CG1 4.24Å
262T96.2Very high92.1Very high2 Ų243.6 Ų43.61%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-72.9149.5172.741.10000111E49 M50 L92 R271 L330E49-T262 WeakPolarHBondContact CA-O 3.46Å; E49-T262 VanDerWaalsContact CG-OG1 3.29Å; E49-T262 WeakPolarHBondContact CG-OG1 3.37Å; E49-T262 PolarHBondContact OE1-OG1 3.36Å; M50-T262 PolarHBondContact N-O 3.02Å; L92-T262 HydrophobicContact CD2-CG2 3.43Å; L92-T262 VanDerWaalsContact CD2-CG2 3.43Å; T262-R271 HydrophobicContact CG2-CG 4.12Å; T262-L330 HydrophobicContact CG2-CD1 3.62Å
263L91.9Very high92.2Very high31 Ų3142.8 Ų42.816%0.16224%0.241CC..BIsolated β-bridgetrans-85.5137.1167.3-71163.1000109.9M50 V93 D265M50-L263 HydrophobicContact CB-CD2 3.97Å; M50-L263 HydrophobicContact CG-CD2 3.88Å; V93-L263 HydrophobicContact CG1-CD1 3.84Å; V93-L263 HydrophobicContact CG1-CD2 4.4Å; V93-L263 HydrophobicContact CG1-CG 4.09Å; V93-L263 HydrophobicContact CG2-CD2 4.19Å; V93-L263 HydrophobicContact CG2-CG 4.27Å; L263-D265 PolarHBondContact O-N 2.66Å
264K86.8Confident92.5Very high86 Ų8642.4 Ų42.437%0.37424%0.24SC..  trans-64.9100.6164.6-75.2-165.8176.8-178.70108.4E49 M50 R52 A333E49-K264 HydrophobicContact CB-CG 3.91Å; M50-K264 PolarHBondContact O-N 2.81Å; R52-K264 VanDerWaalsContact CB-O 3.29Å; R52-K264 WeakPolarHBondContact CB-O 3.36Å; K264-A333 VanDerWaalsContact CE-CB 3.41Å
265D79.2Confident93Very high57 Ų5738.4 Ų38.431%0.30521%0.211SC..  trans-130.6155.8173.8-148.3-14.5000111R52 R90 L263R52-D265 IonicContact CZ-OD1 3.42Å; R52-D265 VanDerWaalsContact CZ-OD1 3.29Å; R52-D265 IonicContact NE-OD1 2.75Å; R52-D265 PolarHBondContact NE-OD1 3.42Å; R52-D265 IonicContact NH2-OD1 3.43Å; R52-D265 PolarHBondContact NH2-OD1 2.77Å; R90-D265 PolarHBondContact NH1-O 2.72Å; R90-D265 VanDerWaalsContact NH1-O 3.1Å; R90-D265 PolarHBondContact NH2-O 2.75Å; L263-D265 PolarHBondContact O-N 2.66Å
266S74.6Confident93.3Very high115 Ų11533.1 Ų33.180%0.80419%0.187SC*.  trans-97.38.2177.3-53.20000112.1
267G80.6Confident93.2Very high19 Ų1932.6 Ų32.620%0.19619%0.186CC..SBendtrans-66.9159.7-177.600000113.4E269G267-E269 WeakPolarHBondContact CA-OE2 3.37Å; G267-E269 PolarHBondContact O-N 2.84Å
268P89.3Confident92.6Very high128 Ų12836.8 Ų36.883%0.83120%0.201SC*.SBendtrans-71.3-8.8-178.632.7-36.9000113.1
269E93.9Very high91.8Very high75 Ų7538.6 Ų38.635%0.3521%0.211SC..SBendtrans-65.4140.3-177.4-54.486.1168.400111.7R90 G267R90-E269 HydrophobicContact CG-CB 3.94Å; R90-E269 WeakPolarHBondContact CG-O 3.42Å; R90-E269 PolarHBondContact NE-O 3.27Å; G267-E269 WeakPolarHBondContact CA-OE2 3.37Å; G267-E269 PolarHBondContact O-N 2.84Å
270I94.9Very high90.7Very high69 Ų6949.7 Ų49.735%0.35425%0.253SS..BIsolated β-bridgetrans-73.2133.3-175.9-55.6171.4000109.3E88 V89 R90 A272 I310 I312E88-I270 PolarHBondContact O-N 3.37Å; V89-I270 CarbonylContact C-O 3.59Å; V89-I270 WeakPolarHBondContact CA-O 3.38Å; R90-I270 PolarHBondContact N-O 2.8Å; I270-A272 VanDerWaalsContact C-N 3.32Å; I270-A272 HydrophobicContact CG2-CB 4.01Å; I270-A272 PolarHBondContact O-N 3.34Å; I270-I310 HydrophobicContact CG2-CD1 3.64Å; I270-I312 HydrophobicContact CD1-CD1 4.28Å; I270-I312 HydrophobicContact CD1-CG1 4.23Å
271R96.6Very high89.7Confident42 Ų4251.6 Ų51.616%0.15827%0.273CS..SBendtrans-76.783173.2-167.4-165.7-83.4120.7-13.6110.3E49 T262 L330 D331 E332E49-R271 IonicContact OE1-CZ 3.04Å; E49-R271 VanDerWaalsContact OE1-CZ 3.25Å; E49-R271 IonicContact OE1-NE 2.93Å; E49-R271 PolarHBondContact OE1-NE 2.89Å; E49-R271 IonicContact OE1-NH2 3.29Å; E49-R271 PolarHBondContact OE1-NH2 3.47Å; E49-R271 IonicContact OE2-CZ 2.76Å; E49-R271 IonicContact OE2-NH2 3.52Å; E49-R271 PolarHBondContact OE2-NH2 2.97Å; T262-R271 HydrophobicContact CG2-CG 4.12Å; R271-L330 WeakPolarHBondContact CD-O 3.24Å; R271-L330 HydrophobicContact CG-CB 3.96Å; R271-L330 PolarHBondContact O-N 3.07Å; R271-D331 WeakPolarHBondContact CD-O 3.47Å; R271-D331 PolarHBondContact NE-O 3.17Å; R271-E332 IonicContact CZ-OE1 3.69Å; R271-E332 VanDerWaalsContact NH1-CD 3.31Å; R271-E332 IonicContact NH1-OE1 2.77Å; R271-E332 PolarHBondContact NH1-OE1 3.36Å; R271-E332 IonicContact NH2-OE1 3.51Å
272A98Very high89.1Confident2 Ų258.9 Ų58.92%0.01730%0.3CS..EExtended strand (participates in β ladder)trans-149.8162.1-178.700000112.4V89 I270 I310 I312 A327 A328V89-A272 HydrophobicContact CG1-CB 4.16Å; I270-A272 VanDerWaalsContact C-N 3.32Å; I270-A272 HydrophobicContact CG2-CB 4.01Å; I270-A272 PolarHBondContact O-N 3.34Å; A272-I310 HydrophobicContact CB-CD1 4.01Å; A272-I312 HydrophobicContact CB-CD1 4.1Å; A272-A327 HydrophobicContact CB-CB 3.99Å; A272-A328 CarbonylContact C-O 3.47Å; A272-A328 WeakPolarHBondContact CA-O 3.18Å; A272-A328 WeakPolarHBondContact CB-O 3.5Å
273V98.4Very high88.8Confident2 Ų261 Ų611%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-116.4125.2170.761.70000109.6I208 I210 P247 V249 L275 A327 A328 L330I208-V273 HydrophobicContact CD1-CG1 3.75Å; I210-V273 HydrophobicContact CD1-CG2 4.06Å; P247-V273 HydrophobicContact CG-CG1 4.31Å; V249-V273 HydrophobicContact CG1-CG2 4.42Å; V249-V273 HydrophobicContact CG2-CG1 4.27Å; V273-L275 PolarHBondContact O-N 2.76Å; V273-A327 CarbonylContact O-C 3.52Å; V273-A327 VanDerWaalsContact O-CA 3.23Å; V273-A327 WeakPolarHBondContact O-CA 3.49Å; V273-A327 WeakPolarHBondContact O-CB 3.43Å; V273-A328 HydrophobicContact CG1-CB 4.16Å; V273-A328 PolarHBondContact N-O 2.88Å; V273-A328 PolarHBondContact O-N 3.45Å; V273-L330 HydrophobicContact CB-CD1 4.34Å; V273-L330 HydrophobicContact CB-CD2 4.09Å; V273-L330 HydrophobicContact CB-CG 4.41Å; V273-L330 HydrophobicContact CG1-CD2 3.68Å; V273-L330 HydrophobicContact CG1-CG 4.4Å
274P98.1Very high88.8Confident16 Ų1662.5 Ų62.510%0.10432%0.315CS..EExtended strand (participates in β ladder)trans-57.3136.9175-26.235.5000112W85 C86 V89 I325W85-P274 HydrophobicContact CZ2-CB 3.76Å; W85-P274 HydrophobicContact CZ2-CG 4Å; C86-P274 HydrophobicContact CB-CG 3.95Å; V89-P274 HydrophobicContact CG2-CG 4.43Å; P274-I325 HydrophobicContact CB-CD1 4.24Å; P274-I325 HydrophobicContact CG-CD1 4.49Å
275L98.1Very high89.2Confident7 Ų762.1 Ų62.14%0.03732%0.318CS..SBendtrans-92.615.2174.2-57-176.3000112.2I208 I232 V273 L286 L307 V309 N326 A328I208-L275 HydrophobicContact CD1-CD2 3.72Å; I232-L275 HydrophobicContact CD1-CB 4.37Å; I232-L275 HydrophobicContact CD1-CD2 3.89Å; V273-L275 PolarHBondContact O-N 2.76Å; L275-L286 WeakPolarHBondContact O-CG 3.4Å; L275-L286 PolarHBondContact O-N 3.06Å; L275-L307 HydrophobicContact CD1-CD1 4.14Å; L275-L307 HydrophobicContact CD2-CD1 4.31Å; L275-V309 HydrophobicContact CD1-CG1 4.49Å; L275-V309 HydrophobicContact CD1-CG2 4.17Å; L275-N326 HydrophobicContact CB-CB 4.48Å; L275-N326 PolarHBondContact N-O 2.98Å; L275-A328 HydrophobicContact CD1-CB 4.31Å; L275-A328 HydrophobicContact CD2-CB 3.86Å; L275-A328 HydrophobicContact CG-CB 4.31Å
276V95.5Very high90Very high8 Ų860 Ų605%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-131.6148.5178-57.60000109.9W85 F283 E284 I325W85-V276 HydrophobicContact CH2-CG2 4.27Å; W85-V276 HydrophobicContact CZ2-CG2 4.16Å; W85-V276 WeakPolarHBondContact CZ2-O 3.39Å; V276-F283 HydrophobicContact CB-CB 4.28Å; V276-F283 HydrophobicContact CG2-CB 4.25Å; V276-F283 HydrophobicContact CG2-CD1 3.92Å; V276-F283 HydrophobicContact CG2-CG 4.34Å; V276-E284 CarbonylContact C-O 3.49Å; V276-E284 WeakPolarHBondContact CA-O 3.25Å; V276-I325 HydrophobicContact CG2-CB 3.82Å; V276-I325 HydrophobicContact CG2-CD1 4.09Å; V276-I325 HydrophobicContact CG2-CG2 3.88Å
277N91.6Very high91Very high20 Ų2058.5 Ų58.511%0.10729%0.285CS..EExtended strand (participates in β ladder)trans-91.4143.3166.2-78.5-47.8000110.2F283 E284 L286N277-F283 WeakPolarHBondContact O-CA 3.33Å; N277-E284 PolarHBondContact N-O 3.29Å; N277-E284 PolarHBondContact O-N 3.02Å; N277-L286 VanDerWaalsContact ND2-CD2 3.28Å; N277-L286 WeakPolarHBondContact ND2-CD2 3.36Å
278R86.4Confident91.9Very high93 Ų9358.3 Ų58.335%0.35128%0.28SS..EExtended strand (participates in β ladder)trans-90.1111.2167.2-167.6179.5-179.5-163.6-0.4109.1W85 F283 W317W85-R278 HydrophobicContact CD2-CB 3.98Å; W85-R278 HydrophobicContact CE3-CB 3.97Å; W85-R278 HydrophobicContact CE3-CG 4.43Å; W85-R278 HydrophobicContact CH2-CB 4.31Å; W85-R278 HydrophobicContact CZ2-CB 4.34Å; W85-R278 HydrophobicContact CZ3-CB 4.15Å; R278-F283 HydrophobicContact CB-CD1 4.46Å; R278-F283 HydrophobicContact CB-CE1 4.25Å; R278-F283 HydrophobicContact CG-CE1 4.06Å; R278-W317 HydrophobicContact CG-CH2 4.32Å; R278-W317 HydrophobicContact CG-CZ2 3.66Å
279D82.1Confident92.3Very high38 Ų3852.2 Ų52.220%0.20324%0.24CC..EExtended strand (participates in β ladder)trans-138.9129.1-176.6-162.1-5.5000111.5K213 G281 R282K213-D279 IonicContact NZ-OD2 2.8Å; K213-D279 PolarHBondContact NZ-OD2 3.26Å; D279-G281 VanDerWaalsContact C-N 3.29Å; D279-G281 PolarHBondContact O-N 2.9Å; D279-R282 PolarHBondContact N-O 2.81Å; D279-R282 VanDerWaalsContact O-CG 3.3Å; D279-R282 WeakPolarHBondContact O-CG 3.43Å; D279-R282 PolarHBondContact O-N 3.49Å
280R75Confident92.5Very high233 Ų23348.9 Ų48.988%0.87923%0.225SC*.THydrogen-bonded Turntrans36.446.7171.3-66.9171.2-171.4-110.72.7116.6
281G78.6Confident92.7Very high41 Ų4146.1 Ų46.142%0.42321%0.211SC..THydrogen-bonded Turntrans92.60.8176.700000115.8D279 W317D279-G281 VanDerWaalsContact C-N 3.29Å; D279-G281 PolarHBondContact O-N 2.9Å; G281-W317 VanDerWaalsContact CA-NE1 3.3Å; G281-W317 VanDerWaalsContact O-CE3 3.27Å
282R86Confident92.8Very high152 Ų15245.2 Ų45.257%0.57421%0.21SC*.EExtended strand (participates in β ladder)trans-138.1158179.664.4179.5-168.2-170.26.7112.7D279 E284 W317D279-R282 PolarHBondContact N-O 2.81Å; D279-R282 VanDerWaalsContact O-CG 3.3Å; D279-R282 WeakPolarHBondContact O-CG 3.43Å; D279-R282 PolarHBondContact O-N 3.49Å; R282-E284 IonicContact CZ-OE2 3.11Å; R282-E284 IonicContact NE-OE2 3.42Å; R282-E284 IonicContact NH2-OE2 3.21Å; R282-E284 PolarHBondContact NH2-OE2 3.35Å; R282-E284 VanDerWaalsContact NH2-OE2 3.09Å; R282-W317 VanDerWaalsContact N-CZ2 3.27Å; R282-W317 WeakPolarHBondContact O-CH2 3.13Å
283F90.3Very high92.7Very high46 Ų4649.2 Ų49.220%0.20223%0.231CC..EExtended strand (participates in β ladder)trans-91.1131.3166.4-64.7-65.7000108.4W85 V276 N277 R278 V314 W317 H323 I325W85-F283 HydrophobicContact CH2-CD1 4Å; W85-F283 AromaticContact CH2-CE1 3.5Å; W85-F283 HydrophobicContact CH2-CE1 3.5Å; W85-F283 AromaticContact CZ3-CE1 3.67Å; W85-F283 HydrophobicContact CZ3-CE1 3.67Å; W85-F283 HydrophobicContact CZ3-CZ 4.44Å; V276-F283 HydrophobicContact CB-CB 4.28Å; V276-F283 HydrophobicContact CG2-CB 4.25Å; V276-F283 HydrophobicContact CG2-CD1 3.92Å; V276-F283 HydrophobicContact CG2-CG 4.34Å; N277-F283 WeakPolarHBondContact O-CA 3.33Å; R278-F283 HydrophobicContact CB-CD1 4.46Å; R278-F283 HydrophobicContact CB-CE1 4.25Å; R278-F283 HydrophobicContact CG-CE1 4.06Å; F283-V314 HydrophobicContact CE1-CG2 4.28Å; F283-V314 HydrophobicContact CE2-CG2 3.93Å; F283-V314 HydrophobicContact CZ-CG2 3.51Å; F283-W317 AromaticContact CD1-CH2 3.84Å; F283-W317 HydrophobicContact CD1-CH2 3.84Å; F283-W317 AromaticContact CD2-CH2 3.57Å; F283-W317 HydrophobicContact CD2-CH2 3.57Å; F283-W317 AromaticContact CD2-CZ3 3.52Å; F283-W317 HydrophobicContact CD2-CZ3 3.52Å; F283-W317 AromaticContact CE1-CH2 3.73Å; F283-W317 HydrophobicContact CE1-CH2 3.73Å; F283-W317 HydrophobicContact CE1-CZ2 4.44Å; F283-W317 HydrophobicContact CE1-CZ3 4.39Å; F283-W317 HydrophobicContact CE2-CE3 4.35Å; F283-W317 AromaticContact CE2-CH2 3.47Å; F283-W317 HydrophobicContact CE2-CH2 3.47Å; F283-W317 VanDerWaalsContact CE2-CH2 3.47Å; F283-W317 AromaticContact CE2-CZ3 3.28Å; F283-W317 HydrophobicContact CE2-CZ3 3.28Å; F283-W317 AromaticContact CG-CH2 3.75Å; F283-W317 HydrophobicContact CG-CH2 3.75Å; F283-W317 HydrophobicContact CG-CZ3 4.18Å; F283-W317 AromaticContact CZ-CH2 3.54Å; F283-W317 HydrophobicContact CZ-CH2 3.54Å; F283-W317 HydrophobicContact CZ-CZ2 4.41Å; F283-W317 AromaticContact CZ-CZ3 3.76Å; F283-W317 HydrophobicContact CZ-CZ3 3.76Å; F283-H323 HydrophobicContact CD2-CB 4.35Å; F283-H323 HydrophobicContact CE2-CB 3.75Å; F283-I325 HydrophobicContact CD1-CG2 4.01Å; F283-I325 HydrophobicContact CD2-CG2 3.86Å; F283-I325 HydrophobicContact CE1-CG2 4.14Å; F283-I325 HydrophobicContact CE2-CG2 3.98Å; F283-I325 HydrophobicContact CG-CG2 3.88Å; F283-I325 HydrophobicContact CZ-CG2 4.13Å
284E92Very high92.6Very high63 Ų6353.6 Ų53.629%0.29426%0.26SS..EExtended strand (participates in β ladder)trans-123.8123.3179.5-171.3179.5126.500108.6K213 V276 N277 R282K213-E284 IonicContact NZ-OE1 3.34Å; K213-E284 PolarHBondContact NZ-OE1 3.02Å; K213-E284 IonicContact NZ-OE2 3.87Å; K213-E284 PolarHBondContact NZ-OE2 3.34Å; V276-E284 CarbonylContact C-O 3.49Å; V276-E284 WeakPolarHBondContact CA-O 3.25Å; N277-E284 PolarHBondContact N-O 3.29Å; N277-E284 PolarHBondContact O-N 3.02Å; R282-E284 IonicContact CZ-OE2 3.11Å; R282-E284 IonicContact NE-OE2 3.42Å; R282-E284 IonicContact NH2-OE2 3.21Å; R282-E284 PolarHBondContact NH2-OE2 3.35Å; R282-E284 VanDerWaalsContact NH2-OE2 3.09Å
285D94.7Very high92.6Very high79 Ų7954.4 Ų54.442%0.42226%0.262SS..EExtended strand (participates in β ladder)trans-53.8143.2179-66.6-8.7000111.6K299D285-K299 IonicContact OD2-NZ 3.76Å; D285-K299 PolarHBondContact OD2-NZ 3.32Å
286L96.3Very high92.6Very high12 Ų1257.7 Ų57.76%0.06328%0.28CS..PPolyproline II helixtrans-62.2138.7165.9-65.5-178.2000109.5I208 I232 L275 N277 V288I208-L286 HydrophobicContact CG2-CD1 4.02Å; I232-L286 HydrophobicContact CD1-CB 3.97Å; I232-L286 HydrophobicContact CD1-CD1 4.46Å; I232-L286 HydrophobicContact CG1-CB 3.95Å; I232-L286 HydrophobicContact CG1-CD1 4.2Å; L275-L286 WeakPolarHBondContact O-CG 3.4Å; L275-L286 PolarHBondContact O-N 3.06Å; N277-L286 VanDerWaalsContact ND2-CD2 3.28Å; N277-L286 WeakPolarHBondContact ND2-CD2 3.36Å; L286-V288 PolarHBondContact O-N 2.77Å
287K96Very high92.7Very high83 Ų8365.2 Ų65.236%0.36131%0.314SS..PPolyproline II helixtrans-59130173.8178.4178.3169.1-167.30109.1E145 G231 I232 H289E145-K287 WeakPolarHBondContact OE1-CE 3.13Å; E145-K287 IonicContact OE1-NZ 2.71Å; E145-K287 PolarHBondContact OE1-NZ 3.13Å; E145-K287 WeakPolarHBondContact OE2-CE 3.48Å; E145-K287 IonicContact OE2-NZ 3.25Å; G231-K287 CarbonylContact C-O 3.52Å; G231-K287 WeakPolarHBondContact CA-O 3.3Å; I232-K287 PolarHBondContact N-O 3.18Å; K287-H289 PolarHBondContact NZ-CE1 3.18Å
288V98.4Very high92.9Very high15 Ų1567.8 Ų67.89%0.09133%0.327CS..BIsolated β-bridgetrans-96.9116.9169-172.90000107.4I232 L234 L286 L291 K299 L303I232-V288 HydrophobicContact CB-CG2 4.33Å; I232-V288 HydrophobicContact CD1-CG2 4.24Å; L234-V288 HydrophobicContact CD1-CG1 4.13Å; L234-V288 HydrophobicContact CG-CG1 4.34Å; L286-V288 PolarHBondContact O-N 2.77Å; V288-L291 HydrophobicContact CB-CD1 3.93Å; V288-L291 HydrophobicContact CB-CG 4.3Å; V288-L291 HydrophobicContact CG1-CD1 3.79Å; V288-L291 HydrophobicContact CG1-CD2 3.83Å; V288-L291 HydrophobicContact CG1-CG 3.87Å; V288-K299 HydrophobicContact CB-CD 4.35Å; V288-K299 HydrophobicContact CB-CG 4.29Å; V288-K299 HydrophobicContact CG2-CD 3.8Å; V288-K299 HydrophobicContact CG2-CG 3.84Å; V288-L303 HydrophobicContact CG2-CD1 4.31Å; V288-L303 HydrophobicContact CG2-CD2 4.01Å; V288-L303 HydrophobicContact CG2-CG 4.43Å
289H98.3Very high93.4Very high0 Ų065.4 Ų65.40%032%0.319CS..THydrogen-bonded Turntrans-81.6150.1-170.2-78.3-95.5000113.2E145 K228 G230 I232 Y233 K287 L291E145-H289 IonicContact OE1-CE1 3.03Å; E145-H289 IonicContact OE1-CG 2.97Å; E145-H289 IonicContact OE1-ND1 2.97Å; E145-H289 PolarHBondContact OE1-ND1 2.95Å; E145-H289 WeakPolarHBondContact OE2-CA 3.44Å; E145-H289 IonicContact OE2-CG 3.88Å; E145-H289 IonicContact OE2-ND1 3.69Å; K228-H289 PolarHBondContact O-CE1 2.69Å; K228-H289 PolarHBondContact O-NE2 3.38Å; G230-H289 PolarHBondContact O-NE2 3.42Å; I232-H289 PolarHBondContact O-N 3.02Å; Y233-H289 HydrophobicContact CD1-CB 3.85Å; Y233-H289 HydrophobicContact CE1-CB 3.77Å; Y233-H289 AromaticContact CE1-CD2 3.93Å; Y233-H289 AromaticContact CE1-CG 3.66Å; Y233-H289 AromaticContact CE2-CD2 3.8Å; Y233-H289 HydrophobicContact CG-CB 4.48Å; Y233-H289 AromaticContact CZ-CD2 3.55Å; Y233-H289 AromaticContact CZ-CE1 3.98Å; Y233-H289 AromaticContact CZ-CG 3.74Å; Y233-H289 AromaticContact CZ-NE2 3.75Å; Y233-H289 PolarHBondContact OH-CE1 2.77Å; Y233-H289 PolarHBondContact OH-NE2 3.46Å; K287-H289 PolarHBondContact NZ-CE1 3.18Å; H289-L291 PolarHBondContact O-N 3.43Å
290F98.4Very high94.2Very high5 Ų567.1 Ų67.12%0.02233%0.326CS..THydrogen-bonded Turntrans59.227.6166.9-58.4-62.4000115.1R141 W142 E145 E193 I194 F197 Y233R141-F290 HydrophobicContact CB-CB 4.01Å; R141-F290 HydrophobicContact CB-CD1 4.45Å; R141-F290 WeakPolarHBondContact CD-O 3.44Å; R141-F290 WeakPolarHBondContact CG-O 3.48Å; R141-F290 PolarHBondContact NH1-O 2.76Å; W142-F290 HydrophobicContact CB-CE1 4.33Å; E145-F290 HydrophobicContact CB-CD1 3.88Å; E145-F290 HydrophobicContact CB-CE1 3.98Å; E145-F290 HydrophobicContact CG-CD1 4.48Å; E145-F290 HydrophobicContact CG-CE1 4.34Å; E145-F290 PolarHBondContact OE2-N 3.33Å; E193-F290 HydrophobicContact CB-CE2 4.01Å; E193-F290 HydrophobicContact CB-CZ 3.79Å; E193-F290 WeakPolarHBondContact O-CE2 3.2Å; I194-F290 HydrophobicContact CB-CE1 4.47Å; I194-F290 HydrophobicContact CB-CZ 3.96Å; I194-F290 HydrophobicContact CD1-CD1 4.32Å; I194-F290 HydrophobicContact CD1-CE1 4.09Å; I194-F290 HydrophobicContact CD1-CE2 4.31Å; I194-F290 HydrophobicContact CD1-CZ 4.08Å; F197-F290 HydrophobicContact CB-CD2 3.39Å; F197-F290 HydrophobicContact CB-CE2 3.65Å; F197-F290 HydrophobicContact CB-CG 4.35Å; F197-F290 HydrophobicContact CD1-CB 4.18Å; F197-F290 HydrophobicContact CD1-CD2 4.11Å; F197-F290 HydrophobicContact CD1-CG 4.28Å; F197-F290 HydrophobicContact CD2-CB 4.05Å; F197-F290 AromaticContact CD2-CD2 3.85Å; F197-F290 HydrophobicContact CD2-CD2 3.85Å; F197-F290 HydrophobicContact CD2-CG 4.38Å; F197-F290 HydrophobicContact CE1-CB 4.2Å; F197-F290 HydrophobicContact CE2-CB 4.04Å; F197-F290 HydrophobicContact CG-CB 4.11Å; F197-F290 AromaticContact CG-CD2 3.52Å; F197-F290 HydrophobicContact CG-CD2 3.52Å; F197-F290 HydrophobicContact CG-CE2 4.27Å; F197-F290 HydrophobicContact CG-CG 4.09Å; F197-F290 HydrophobicContact CZ-CB 4.13Å; Y233-F290 HydrophobicContact CD1-CD2 4.35Å; Y233-F290 HydrophobicContact CD1-CE2 4.26Å; Y233-F290 HydrophobicContact CE1-CD2 4.37Å; Y233-F290 AromaticContact CE1-CE2 3.89Å; Y233-F290 HydrophobicContact CE1-CE2 3.89Å
291L98.2Very high95.3Very high12 Ų1261.7 Ų61.76%0.06331%0.308CS..  trans-71.9137.6170.6-58.5-171.8000110.7L144 L236 V288 H289 E295 N296 K299 L302L144-L291 WeakPolarHBondContact CD2-O 3.23Å; L236-L291 HydrophobicContact CD1-CD2 3.62Å; V288-L291 HydrophobicContact CB-CD1 3.93Å; V288-L291 HydrophobicContact CB-CG 4.3Å; V288-L291 HydrophobicContact CG1-CD1 3.79Å; V288-L291 HydrophobicContact CG1-CD2 3.83Å; V288-L291 HydrophobicContact CG1-CG 3.87Å; H289-L291 PolarHBondContact O-N 3.43Å; L291-E295 HydrophobicContact CB-CB 4.2Å; L291-E295 HydrophobicContact CD2-CB 4.24Å; L291-N296 HydrophobicContact CB-CB 4.17Å; L291-N296 HydrophobicContact CD1-CB 4.24Å; L291-K299 HydrophobicContact CD1-CB 4.34Å; L291-K299 HydrophobicContact CD1-CG 4.05Å; L291-L302 HydrophobicContact CD2-CD1 4.31Å
292T97.9Very high96.2Very high23 Ų2360.1 Ų60.114%0.14129%0.29CS..  trans-70.5163.4160.3630000110.1F140 R141 E295 N296F140-T292 HydrophobicContact CD1-CG2 4.39Å; F140-T292 HydrophobicContact CE1-CG2 3.81Å; R141-T292 HydrophobicContact CG-CG2 4.42Å; T292-E295 WeakPolarHBondContact CB-OE2 3.37Å; T292-E295 WeakPolarHBondContact CG2-OE2 3.31Å; T292-E295 PolarHBondContact N-OE2 2.88Å; T292-E295 PolarHBondContact O-N 2.71Å; T292-E295 VanDerWaalsContact OG1-CG 3.31Å; T292-E295 WeakPolarHBondContact OG1-CG 3.27Å; T292-E295 PolarHBondContact OG1-OE2 3.11Å; T292-N296 WeakPolarHBondContact O-CB 3.46Å; T292-N296 PolarHBondContact O-N 3.07Å
293D96Very high96.8Very high85 Ų8553.3 Ų53.346%0.45527%0.265SS..Hα-helixtrans-57.8-45.3179.9-57.5-33.7000112.8K148 E295 N296 E297K148-D293 IonicContact NZ-OD1 3.03Å; K148-D293 PolarHBondContact NZ-OD1 2.76Å; D293-E295 VanDerWaalsContact C-N 3.32Å; D293-E295 PolarHBondContact O-N 3.35Å; D293-N296 WeakPolarHBondContact O-CB 3.26Å; D293-N296 PolarHBondContact O-N 2.79Å; D293-E297 WeakPolarHBondContact O-CG 3.17Å; D293-E297 PolarHBondContact O-N 2.99Å; D293-E297 VanDerWaalsContact O-N 3.13Å
294P97.6Very high97.2Very high95 Ų9557 Ų5762%0.61728%0.281SS*.Hα-helixtrans-61.3-37.8176.1-23.534.8000113.7M298P294-M298 WeakPolarHBondContact O-CG 3.49Å
295E98.3Very high97.5Very high32 Ų3257.5 Ų57.515%0.1528%0.283CS..Hα-helixtrans-69.3-35.9177.3-73164.6154.400111.6R141 L291 T292 D293 M298 K299 L302R141-E295 IonicContact CZ-OE1 3.25Å; R141-E295 IonicContact CZ-OE2 3.12Å; R141-E295 IonicContact NH1-OE1 3.6Å; R141-E295 PolarHBondContact NH1-OE1 3.36Å; R141-E295 IonicContact NH1-OE2 3.21Å; R141-E295 PolarHBondContact NH1-OE2 2.68Å; R141-E295 IonicContact NH2-OE1 3.97Å; R141-E295 PolarHBondContact NH2-OE1 3.22Å; R141-E295 IonicContact NH2-OE2 3.62Å; R141-E295 PolarHBondContact NH2-OE2 3.14Å; L291-E295 HydrophobicContact CB-CB 4.2Å; L291-E295 HydrophobicContact CD2-CB 4.24Å; T292-E295 WeakPolarHBondContact CB-OE2 3.37Å; T292-E295 WeakPolarHBondContact CG2-OE2 3.31Å; T292-E295 PolarHBondContact N-OE2 2.88Å; T292-E295 PolarHBondContact O-N 2.71Å; T292-E295 VanDerWaalsContact OG1-CG 3.31Å; T292-E295 WeakPolarHBondContact OG1-CG 3.27Å; T292-E295 PolarHBondContact OG1-OE2 3.11Å; D293-E295 VanDerWaalsContact C-N 3.32Å; D293-E295 PolarHBondContact O-N 3.35Å; E295-M298 CarbonylContact O-C 3.42Å; E295-M298 VanDerWaalsContact O-C 3.23Å; E295-M298 WeakPolarHBondContact O-CG 3.46Å; E295-M298 PolarHBondContact O-N 2.94Å; E295-M298 VanDerWaalsContact O-N 3.12Å; E295-K299 PolarHBondContact O-N 3.14Å; E295-L302 HydrophobicContact CB-CD1 3.64Å; E295-L302 HydrophobicContact CG-CD1 4.03Å; E295-L302 WeakPolarHBondContact O-CD1 3.41Å
296N96.7Very high97.7Very high77 Ų7754.4 Ų54.441%0.41227%0.266SS..Hα-helixtrans-65.2-37.6177-172.867.2000112.2L291 T292 D293 M298 K299L291-N296 HydrophobicContact CB-CB 4.17Å; L291-N296 HydrophobicContact CD1-CB 4.24Å; T292-N296 WeakPolarHBondContact O-CB 3.46Å; T292-N296 PolarHBondContact O-N 3.07Å; D293-N296 WeakPolarHBondContact O-CB 3.26Å; D293-N296 PolarHBondContact O-N 2.79Å; N296-M298 PolarHBondContact O-N 2.87Å; N296-K299 WeakPolarHBondContact O-CB 3.35Å; N296-K299 PolarHBondContact O-N 3.46Å
297E97.1Very high97.8Very high165 Ų16553.8 Ų53.877%0.77126%0.263SS*.Hα-helixtrans-61.2-27.8172.8-64.9-57.1133.500112.5D293D293-E297 WeakPolarHBondContact O-CG 3.17Å; D293-E297 PolarHBondContact O-N 2.99Å; D293-E297 VanDerWaalsContact O-N 3.13Å
298M97.2Very high97.9Very high74 Ų7452.6 Ų52.637%0.36526%0.259SS..THydrogen-bonded Turntrans-110.727177.465.9179.9-118.200113.8P294 E295 N296 E300 K301 L302P294-M298 WeakPolarHBondContact O-CG 3.49Å; E295-M298 CarbonylContact O-C 3.42Å; E295-M298 VanDerWaalsContact O-C 3.23Å; E295-M298 WeakPolarHBondContact O-CG 3.46Å; E295-M298 PolarHBondContact O-N 2.94Å; E295-M298 VanDerWaalsContact O-N 3.12Å; N296-M298 PolarHBondContact O-N 2.87Å; M298-E300 VanDerWaalsContact C-N 3.34Å; M298-E300 PolarHBondContact O-N 2.92Å; M298-K301 HydrophobicContact CB-CB 4.39Å; M298-K301 WeakPolarHBondContact O-CB 3.37Å; M298-K301 PolarHBondContact O-N 3.07Å; M298-L302 HydrophobicContact CE-CD1 4.21Å; M298-L302 HydrophobicContact CE-CD2 3.54Å; M298-L302 HydrophobicContact CE-CG 3.68Å; M298-L302 HydrophobicContact CG-CD1 4.29Å; M298-L302 HydrophobicContact CG-CG 4.3Å; M298-L302 PolarHBondContact O-N 3.17Å
299K97.4Very high98Very high43 Ų4353.5 Ų53.519%0.18727%0.265CS..Hα-helixtrans-48.5-50-177.1-172.9-168.783.5174.70113D285 V288 L291 E295 N296 K301 L302 L303D285-K299 IonicContact OD2-NZ 3.76Å; D285-K299 PolarHBondContact OD2-NZ 3.32Å; V288-K299 HydrophobicContact CB-CD 4.35Å; V288-K299 HydrophobicContact CB-CG 4.29Å; V288-K299 HydrophobicContact CG2-CD 3.8Å; V288-K299 HydrophobicContact CG2-CG 3.84Å; L291-K299 HydrophobicContact CD1-CB 4.34Å; L291-K299 HydrophobicContact CD1-CG 4.05Å; E295-K299 PolarHBondContact O-N 3.14Å; N296-K299 WeakPolarHBondContact O-CB 3.35Å; N296-K299 PolarHBondContact O-N 3.46Å; K299-K301 VanDerWaalsContact C-N 3.3Å; K299-K301 PolarHBondContact O-N 3.24Å; K299-L302 WeakPolarHBondContact O-CB 3.48Å; K299-L302 PolarHBondContact O-N 3.48Å; K299-L303 HydrophobicContact CG-CD1 4.38Å; K299-L303 WeakPolarHBondContact O-CG 3.09Å; K299-L303 PolarHBondContact O-N 3.37Å
300E97Very high98Very high74 Ų7455.5 Ų55.535%0.34628%0.275SS..Hα-helixtrans-64.4-35-177.7-65.7-52.3124.900112.9M298 K304M298-E300 VanDerWaalsContact C-N 3.34Å; M298-E300 PolarHBondContact O-N 2.92Å; E300-K304 WeakPolarHBondContact O-CG 2.95Å; E300-K304 PolarHBondContact O-N 3.44Å; E300-K304 VanDerWaalsContact O-N 3.17Å
301K98.1Very high97.9Very high119 Ų11961.5 Ų61.552%0.51730%0.303SS..Hα-helixtrans-67.6-45.8175.3-178.7-179.3170-176.10110.3M298 K299 L303 K304 E305M298-K301 HydrophobicContact CB-CB 4.39Å; M298-K301 WeakPolarHBondContact O-CB 3.37Å; M298-K301 PolarHBondContact O-N 3.07Å; K299-K301 VanDerWaalsContact C-N 3.3Å; K299-K301 PolarHBondContact O-N 3.24Å; K301-L303 VanDerWaalsContact C-N 3.34Å; K301-L303 PolarHBondContact O-N 3.45Å; K301-K304 PolarHBondContact O-N 3.04Å; K301-E305 WeakPolarHBondContact CE-OE1 3.44Å; K301-E305 WeakPolarHBondContact O-CG 3.39Å; K301-E305 PolarHBondContact O-N 3.09Å
302L98.4Very high97.8Very high8 Ų861 Ų614%0.04230%0.3CS..Hα-helixtrans-59.3-43.8176-73.6172.5000111.8L234 L236 L291 E295 M298 K299 K304 E305 Y306L234-L302 HydrophobicContact CD1-CB 4.25Å; L236-L302 HydrophobicContact CD2-CD2 4.4Å; L291-L302 HydrophobicContact CD2-CD1 4.31Å; E295-L302 HydrophobicContact CB-CD1 3.64Å; E295-L302 HydrophobicContact CG-CD1 4.03Å; E295-L302 WeakPolarHBondContact O-CD1 3.41Å; M298-L302 HydrophobicContact CE-CD1 4.21Å; M298-L302 HydrophobicContact CE-CD2 3.54Å; M298-L302 HydrophobicContact CE-CG 3.68Å; M298-L302 HydrophobicContact CG-CD1 4.29Å; M298-L302 HydrophobicContact CG-CG 4.3Å; M298-L302 PolarHBondContact O-N 3.17Å; K299-L302 WeakPolarHBondContact O-CB 3.48Å; K299-L302 PolarHBondContact O-N 3.48Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.21Å; L302-E305 PolarHBondContact O-N 3.42Å; L302-E305 VanDerWaalsContact O-N 3.15Å; L302-Y306 HydrophobicContact CD2-CD2 4.36Å; L302-Y306 HydrophobicContact CD2-CE2 3.9Å; L302-Y306 WeakPolarHBondContact O-CD2 3.43Å; L302-Y306 PolarHBondContact O-N 2.74Å
303L98.7Very high97.7Very high9 Ų963 Ų635%0.04731%0.314CS..Hα-helixtrans-58.2-43.6176-71.1175.1000111.5I232 L234 V288 K299 K301 E305 L307 V309I232-L303 HydrophobicContact CD1-CD2 3.84Å; I232-L303 HydrophobicContact CG2-CD2 4.17Å; L234-L303 HydrophobicContact CD1-CD2 4.37Å; V288-L303 HydrophobicContact CG2-CD1 4.31Å; V288-L303 HydrophobicContact CG2-CD2 4.01Å; V288-L303 HydrophobicContact CG2-CG 4.43Å; K299-L303 HydrophobicContact CG-CD1 4.38Å; K299-L303 WeakPolarHBondContact O-CG 3.09Å; K299-L303 PolarHBondContact O-N 3.37Å; K301-L303 VanDerWaalsContact C-N 3.34Å; K301-L303 PolarHBondContact O-N 3.45Å; L303-E305 VanDerWaalsContact C-N 3.33Å; L303-E305 PolarHBondContact O-N 2.8Å; L303-L307 HydrophobicContact CD2-CD1 4.02Å; L303-L307 WeakPolarHBondContact O-CA 3.4Å; L303-L307 VanDerWaalsContact O-CB 3.26Å; L303-L307 WeakPolarHBondContact O-CB 3.3Å; L303-L307 PolarHBondContact O-N 3.17Å; L303-V309 HydrophobicContact CB-CG2 4.38Å
304K98.5Very high97.5Very high124 Ų12459.2 Ų59.254%0.53929%0.294SS..Hα-helixtrans-68.8-28.1177.5-70.3175-178.1-179.40113.7R245 E300 K301 L302 L307 V309R245-K304 PolarHBondContact NH2-O 3.41Å; E300-K304 WeakPolarHBondContact O-CG 2.95Å; E300-K304 PolarHBondContact O-N 3.44Å; E300-K304 VanDerWaalsContact O-N 3.17Å; K301-K304 PolarHBondContact O-N 3.04Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.21Å; K304-L307 CarbonylContact C-O 3.59Å; K304-V309 HydrophobicContact CG-CB 4.23Å; K304-V309 HydrophobicContact CG-CG2 4.2Å
305E98.4Very high96.9Very high73 Ų7360.1 Ų60.134%0.34129%0.29SS..Hα-helixtrans-74-52.6175.6-73.7175.7-175.100111.2A240 R245 K301 L302 L303A240-E305 HydrophobicContact CB-CB 3.89Å; R245-E305 PolarHBondContact NE-O 3.27Å; K301-E305 WeakPolarHBondContact CE-OE1 3.44Å; K301-E305 WeakPolarHBondContact O-CG 3.39Å; K301-E305 PolarHBondContact O-N 3.09Å; L302-E305 PolarHBondContact O-N 3.42Å; L302-E305 VanDerWaalsContact O-N 3.15Å; L303-E305 VanDerWaalsContact C-N 3.33Å; L303-E305 PolarHBondContact O-N 2.8Å
306Y98.8Very high96.2Very high14 Ų1458.8 Ų58.86%0.05529%0.285CS..Hα-helixtrans-84.4-18.9-174.3-73-89000114.5P206 L234 P235 L236 W238 A240 C243 R245 L302P206-Y306 WeakPolarHBondContact CG-O 3.3Å; L234-Y306 HydrophobicContact CB-CG 4.48Å; L234-Y306 HydrophobicContact CD1-CD2 4.26Å; L234-Y306 HydrophobicContact CD1-CG 4.49Å; L234-Y306 HydrophobicContact CD2-CG 4.48Å; P235-Y306 HydrophobicContact CG-CD1 3.72Å; P235-Y306 HydrophobicContact CG-CE1 3.88Å; P235-Y306 WeakPolarHBondContact O-CE1 3.41Å; L236-Y306 HydrophobicContact CD2-CE2 3.95Å; W238-Y306 WeakPolarHBondContact O-CE1 3.38Å; W238-Y306 PolarHBondContact O-OH 2.89Å; A240-Y306 HydrophobicContact CB-CD1 3.95Å; A240-Y306 HydrophobicContact CB-CD2 4.08Å; A240-Y306 HydrophobicContact CB-CE1 3.92Å; A240-Y306 HydrophobicContact CB-CE2 4.03Å; A240-Y306 HydrophobicContact CB-CG 4.05Å; C243-Y306 HydrophobicContact CB-CD1 4.43Å; R245-Y306 WeakPolarHBondContact CA-O 3.28Å; L302-Y306 HydrophobicContact CD2-CD2 4.36Å; L302-Y306 HydrophobicContact CD2-CE2 3.9Å; L302-Y306 WeakPolarHBondContact O-CD2 3.43Å; L302-Y306 PolarHBondContact O-N 2.74Å
307L98.8Very high95.5Very high0 Ų059.2 Ų59.20%028%0.281CS..SBendtrans-123156.8177.1-60.1165.8000111P206 I232 R245 P247 L275 L303 K304 V309 A328P206-L307 HydrophobicContact CB-CD2 3.78Å; P206-L307 HydrophobicContact CG-CD2 3.82Å; I232-L307 HydrophobicContact CG2-CD1 4.31Å; R245-L307 PolarHBondContact NH2-O 2.88Å; R245-L307 VanDerWaalsContact NH2-O 3.13Å; P247-L307 HydrophobicContact CB-CD2 3.95Å; P247-L307 HydrophobicContact CG-CD2 4.11Å; L275-L307 HydrophobicContact CD1-CD1 4.14Å; L275-L307 HydrophobicContact CD2-CD1 4.31Å; L303-L307 HydrophobicContact CD2-CD1 4.02Å; L303-L307 WeakPolarHBondContact O-CA 3.4Å; L303-L307 VanDerWaalsContact O-CB 3.26Å; L303-L307 WeakPolarHBondContact O-CB 3.3Å; L303-L307 PolarHBondContact O-N 3.17Å; K304-L307 CarbonylContact C-O 3.59Å; L307-V309 HydrophobicContact CB-CG2 4.07Å; L307-V309 PolarHBondContact O-N 3.03Å; L307-A328 HydrophobicContact CB-CB 4.18Å; L307-A328 HydrophobicContact CD1-CB 4.18Å; L307-A328 HydrophobicContact CD2-CB 4.24Å; L307-A328 HydrophobicContact CG-CB 4.44Å
308M98.6Very high94.7Very high57 Ų5757 Ų5728%0.28128%0.275SS..  trans-8782.6166.6-64.2-175.776.900109.7R245 Y246 K329R245-M308 HydrophobicContact CB-CG 4.13Å; R245-M308 PolarHBondContact O-N 2.98Å; Y246-M308 HydrophobicContact CD1-SD 4.49Å; Y246-M308 HydrophobicContact CE1-SD 3.74Å; Y246-M308 HydrophobicContact CE2-SD 4Å; Y246-M308 PolarHBondContact OH-SD 3Å; M308-K329 HydrophobicContact CB-CB 4.09Å; M308-K329 HydrophobicContact CB-CD 4.34Å; M308-K329 HydrophobicContact CB-CG 4.28Å; M308-K329 HydrophobicContact CE-CD 4.41Å; M308-K329 PolarHBondContact O-N 2.78Å
309V98.6Very high93.5Very high35 Ų3562.4 Ų62.421%0.21230%0.298CS..EExtended strand (participates in β ladder)trans-76134.5-177.7-1740000111.1L275 L303 K304 L307 N326 A327L275-V309 HydrophobicContact CD1-CG1 4.49Å; L275-V309 HydrophobicContact CD1-CG2 4.17Å; L303-V309 HydrophobicContact CB-CG2 4.38Å; K304-V309 HydrophobicContact CG-CB 4.23Å; K304-V309 HydrophobicContact CG-CG2 4.2Å; L307-V309 HydrophobicContact CB-CG2 4.07Å; L307-V309 PolarHBondContact O-N 3.03Å; V309-N326 HydrophobicContact CG1-CB 3.96Å; V309-A327 CarbonylContact C-O 3.56Å; V309-A327 WeakPolarHBondContact CA-O 3.22Å
310I98.3Very high92.6Very high41 Ų4164 Ų6421%0.2133%0.328CS..EExtended strand (participates in β ladder)trans-131155.7172.957.1170.8000110.2I270 A272 I312 N326 A327 K329I270-I310 HydrophobicContact CG2-CD1 3.64Å; A272-I310 HydrophobicContact CB-CD1 4.01Å; I310-I312 HydrophobicContact CD1-CD1 4.22Å; I310-I312 HydrophobicContact CD1-CG1 4.22Å; I310-I312 HydrophobicContact CG1-CG1 4.35Å; I310-N326 WeakPolarHBondContact O-CA 3.19Å; I310-A327 HydrophobicContact CG1-CB 4.28Å; I310-A327 WeakPolarHBondContact CG1-O 3.22Å; I310-A327 PolarHBondContact N-O 3.41Å; I310-A327 PolarHBondContact O-N 3.47Å; I310-K329 HydrophobicContact CD1-CG 4.1Å; I310-K329 HydrophobicContact CG1-CG 4.38Å; I310-K329 HydrophobicContact CG2-CD 4.32Å; I310-K329 HydrophobicContact CG2-CG 4.09Å
311E97.7Very high92Very high132 Ų13262.9 Ų62.962%0.61733%0.326SS*.EExtended strand (participates in β ladder)trans-96.5132.7173.6-65.2176.2137.100109.6I325E311-I325 CarbonylContact C-O 3.56Å; E311-I325 WeakPolarHBondContact CA-O 3.47Å
312I96.1Very high91.5Very high0 Ų062 Ų620%033%0.33CS..EExtended strand (participates in β ladder)trans-119.4125.6179.7-58.8-175.6000108.8E88 V89 I270 A272 I310 V314 I325 A327E88-I312 HydrophobicContact CB-CG2 3.6Å; E88-I312 HydrophobicContact CG-CG2 4.15Å; V89-I312 HydrophobicContact CG1-CD1 3.36Å; I270-I312 HydrophobicContact CD1-CD1 4.28Å; I270-I312 HydrophobicContact CD1-CG1 4.23Å; A272-I312 HydrophobicContact CB-CD1 4.1Å; I310-I312 HydrophobicContact CD1-CD1 4.22Å; I310-I312 HydrophobicContact CD1-CG1 4.22Å; I310-I312 HydrophobicContact CG1-CG1 4.35Å; I312-V314 HydrophobicContact CG2-CG1 4.15Å; I312-V314 PolarHBondContact O-N 3Å; I312-I325 HydrophobicContact CB-CG1 4.21Å; I312-I325 PolarHBondContact N-O 3.33Å; I312-I325 PolarHBondContact O-N 2.78Å; I312-A327 HydrophobicContact CD1-CB 3.49Å; I312-A327 VanDerWaalsContact CD1-CB 3.49Å; I312-A327 HydrophobicContact CG1-CB 4.03Å
313P94.4Very high91.1Very high67 Ų6765.5 Ų65.544%0.43535%0.346SS..EExtended strand (participates in β ladder)trans-73.6120.5172.629.6-31.8000109.8E88 T322 H323 L324E88-P313 WeakPolarHBondContact CG-O 3.38Å; P313-T322 HydrophobicContact CB-CG2 3.57Å; P313-H323 CarbonylContact C-O 3.6Å; P313-H323 WeakPolarHBondContact CA-O 3.38Å; P313-L324 HydrophobicContact CB-CD2 4.04Å
314V91.9Very high90.9Very high5 Ų570.5 Ų70.53%0.0337%0.372CS..EExtended strand (participates in β ladder)trans-120.2150.7177-62.30000110.8F283 I312 G316 T322 H323 I325F283-V314 HydrophobicContact CE1-CG2 4.28Å; F283-V314 HydrophobicContact CE2-CG2 3.93Å; F283-V314 HydrophobicContact CZ-CG2 3.51Å; I312-V314 HydrophobicContact CG2-CG1 4.15Å; I312-V314 PolarHBondContact O-N 3Å; V314-G316 PolarHBondContact O-N 3.17Å; V314-T322 WeakPolarHBondContact O-CA 3.44Å; V314-H323 HydrophobicContact CG2-CB 4.24Å; V314-H323 WeakPolarHBondContact CG2-O 3.38Å; V314-H323 PolarHBondContact N-O 3.09Å; V314-H323 PolarHBondContact O-N 3.18Å; V314-I325 HydrophobicContact CB-CD1 4.46Å; V314-I325 HydrophobicContact CG1-CD1 3.5Å; V314-I325 VanDerWaalsContact CG1-CD1 3.5Å; V314-I325 HydrophobicContact CG1-CG1 3.85Å; V314-I325 HydrophobicContact CG2-CD1 4.15Å; V314-I325 HydrophobicContact CG2-CG1 4.2Å; V314-I325 HydrophobicContact CG2-CG2 3.73Å
315Q86.6Confident90.8Very high113 Ų11364.8 Ų64.853%0.52835%0.348SS..EExtended strand (participates in β ladder)trans-61.3124.6175.2-171.4176.612.300110.8
316G82.3Confident90.8Very high5 Ų563.1 Ų63.15%0.05234%0.341CS..  trans-69.9177.8174.100000113.7V314 T321 H323V314-G316 PolarHBondContact O-N 3.17Å; G316-T321 WeakPolarHBondContact CA-OG1 3.28Å; G316-T321 PolarHBondContact N-O 3.33Å; G316-H323 VanDerWaalsContact CA-CD2 3.47Å; G316-H323 WeakPolarHBondContact CA-CD2 3.23Å
317W81.8Confident90.8Very high86 Ų8662.5 Ų62.533%0.32634%0.339SS..SBendtrans-74.5-33.8175.6-73.4-90.8000112.3R278 G281 R282 F283R278-W317 HydrophobicContact CG-CH2 4.32Å; R278-W317 HydrophobicContact CG-CZ2 3.66Å; G281-W317 VanDerWaalsContact CA-NE1 3.3Å; G281-W317 VanDerWaalsContact O-CE3 3.27Å; R282-W317 VanDerWaalsContact N-CZ2 3.27Å; R282-W317 WeakPolarHBondContact O-CH2 3.13Å; F283-W317 AromaticContact CD1-CH2 3.84Å; F283-W317 HydrophobicContact CD1-CH2 3.84Å; F283-W317 AromaticContact CD2-CH2 3.57Å; F283-W317 HydrophobicContact CD2-CH2 3.57Å; F283-W317 AromaticContact CD2-CZ3 3.52Å; F283-W317 HydrophobicContact CD2-CZ3 3.52Å; F283-W317 AromaticContact CE1-CH2 3.73Å; F283-W317 HydrophobicContact CE1-CH2 3.73Å; F283-W317 HydrophobicContact CE1-CZ2 4.44Å; F283-W317 HydrophobicContact CE1-CZ3 4.39Å; F283-W317 HydrophobicContact CE2-CE3 4.35Å; F283-W317 AromaticContact CE2-CH2 3.47Å; F283-W317 HydrophobicContact CE2-CH2 3.47Å; F283-W317 VanDerWaalsContact CE2-CH2 3.47Å; F283-W317 AromaticContact CE2-CZ3 3.28Å; F283-W317 HydrophobicContact CE2-CZ3 3.28Å; F283-W317 AromaticContact CG-CH2 3.75Å; F283-W317 HydrophobicContact CG-CH2 3.75Å; F283-W317 HydrophobicContact CG-CZ3 4.18Å; F283-W317 AromaticContact CZ-CH2 3.54Å; F283-W317 HydrophobicContact CZ-CH2 3.54Å; F283-W317 HydrophobicContact CZ-CZ2 4.41Å; F283-W317 AromaticContact CZ-CZ3 3.76Å; F283-W317 HydrophobicContact CZ-CZ3 3.76Å
318D80.5Confident90.8Very high119 Ų11962.5 Ų62.564%0.63634%0.339SS*.SBendtrans-83.8135.8175.4-61.2-34.8000110.5G320 T321D318-G320 PolarHBondContact O-N 3.1Å; D318-T321 HydrophobicContact CB-CG2 3.77Å; D318-T321 PolarHBondContact O-N 3.43Å; D318-T321 PolarHBondContact O-OG1 3.28Å
319H73.1Confident90.8Very high186 Ų18663.8 Ų63.886%0.86134%0.343SS*.THydrogen-bonded Turntrans-56122.8-179.9-67.6-62000111.2
320G77.3Confident90.8Very high78 Ų7862.5 Ų62.580%0.80434%0.335SS*.THydrogen-bonded Turntrans88.6-4.6179.400000115.5D318D318-G320 PolarHBondContact O-N 3.1Å
321T84.1Confident90.7Very high50 Ų5061 Ų6131%0.30733%0.327SS..  trans-84.9142.1174.761.70000111.7G316 D318G316-T321 WeakPolarHBondContact CA-OG1 3.28Å; G316-T321 PolarHBondContact N-O 3.33Å; D318-T321 HydrophobicContact CB-CG2 3.77Å; D318-T321 PolarHBondContact O-N 3.43Å; D318-T321 PolarHBondContact O-OG1 3.28Å
322T89.1Confident90.6Very high100 Ų10060.5 Ų60.561%0.61333%0.325SS*.EExtended strand (participates in β ladder)trans-117.9128.8175.5-56.60000108.6P313 V314P313-T322 HydrophobicContact CB-CG2 3.57Å; V314-T322 WeakPolarHBondContact O-CA 3.44Å
323H90.4Very high90.5Very high81 Ų8162.1 Ų62.138%0.37534%0.338SS..EExtended strand (participates in β ladder)trans-109142.9172.9-75.3-97.1000109.9F283 P313 V314 G316F283-H323 HydrophobicContact CD2-CB 4.35Å; F283-H323 HydrophobicContact CE2-CB 3.75Å; P313-H323 CarbonylContact C-O 3.6Å; P313-H323 WeakPolarHBondContact CA-O 3.38Å; V314-H323 HydrophobicContact CG2-CB 4.24Å; V314-H323 WeakPolarHBondContact CG2-O 3.38Å; V314-H323 PolarHBondContact N-O 3.09Å; V314-H323 PolarHBondContact O-N 3.18Å; G316-H323 VanDerWaalsContact CA-CD2 3.47Å; G316-H323 WeakPolarHBondContact CA-CD2 3.23Å
324L94.1Very high90.7Very high114 Ų11461.6 Ų61.660%0.59733%0.331SS*.EExtended strand (participates in β ladder)trans-91.6129.4169.9-65.4173.6000109P313P313-L324 HydrophobicContact CB-CD2 4.04Å
325I95.9Very high90.9Very high5 Ų562.1 Ų62.13%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-119.8146.4174.163.7172.6000110.5W85 P274 V276 F283 E311 I312 V314W85-I325 HydrophobicContact CH2-CD1 3.54Å; W85-I325 HydrophobicContact CZ2-CD1 4.21Å; W85-I325 HydrophobicContact CZ3-CD1 4.36Å; P274-I325 HydrophobicContact CB-CD1 4.24Å; P274-I325 HydrophobicContact CG-CD1 4.49Å; V276-I325 HydrophobicContact CG2-CB 3.82Å; V276-I325 HydrophobicContact CG2-CD1 4.09Å; V276-I325 HydrophobicContact CG2-CG2 3.88Å; F283-I325 HydrophobicContact CD1-CG2 4.01Å; F283-I325 HydrophobicContact CD2-CG2 3.86Å; F283-I325 HydrophobicContact CE1-CG2 4.14Å; F283-I325 HydrophobicContact CE2-CG2 3.98Å; F283-I325 HydrophobicContact CG-CG2 3.88Å; F283-I325 HydrophobicContact CZ-CG2 4.13Å; E311-I325 CarbonylContact C-O 3.56Å; E311-I325 WeakPolarHBondContact CA-O 3.47Å; I312-I325 HydrophobicContact CB-CG1 4.21Å; I312-I325 PolarHBondContact N-O 3.33Å; I312-I325 PolarHBondContact O-N 2.78Å; V314-I325 HydrophobicContact CB-CD1 4.46Å; V314-I325 HydrophobicContact CG1-CD1 3.5Å; V314-I325 VanDerWaalsContact CG1-CD1 3.5Å; V314-I325 HydrophobicContact CG1-CG1 3.85Å; V314-I325 HydrophobicContact CG2-CD1 4.15Å; V314-I325 HydrophobicContact CG2-CG1 4.2Å; V314-I325 HydrophobicContact CG2-CG2 3.73Å
326N97.9Very high91.3Very high38 Ų3858.7 Ų58.720%0.20332%0.322CS..EExtended strand (participates in β ladder)trans-76136.5171.5-74.6-26.2000110.6L275 V309 I310L275-N326 HydrophobicContact CB-CB 4.48Å; L275-N326 PolarHBondContact N-O 2.98Å; V309-N326 HydrophobicContact CG1-CB 3.96Å; I310-N326 WeakPolarHBondContact O-CA 3.19Å
327A98.6Very high91.8Very high0 Ų066.2 Ų66.20%035%0.353CS..EExtended strand (participates in β ladder)trans-137.1148.517300000110.1A272 V273 V309 I310 I312A272-A327 HydrophobicContact CB-CB 3.99Å; V273-A327 CarbonylContact O-C 3.52Å; V273-A327 VanDerWaalsContact O-CA 3.23Å; V273-A327 WeakPolarHBondContact O-CA 3.49Å; V273-A327 WeakPolarHBondContact O-CB 3.43Å; V309-A327 CarbonylContact C-O 3.56Å; V309-A327 WeakPolarHBondContact CA-O 3.22Å; I310-A327 HydrophobicContact CG1-CB 4.28Å; I310-A327 WeakPolarHBondContact CG1-O 3.22Å; I310-A327 PolarHBondContact N-O 3.41Å; I310-A327 PolarHBondContact O-N 3.47Å; I312-A327 HydrophobicContact CD1-CB 3.49Å; I312-A327 VanDerWaalsContact CD1-CB 3.49Å; I312-A327 HydrophobicContact CG1-CB 4.03Å
328A98.8Very high92.4Very high0 Ų067.7 Ų67.70%036%0.364CS..EExtended strand (participates in β ladder)trans-94.5132.2171.800000110I208 P247 A272 V273 L275 L307I208-A328 HydrophobicContact CD1-CB 4.44Å; P247-A328 HydrophobicContact CG-CB 4.31Å; A272-A328 CarbonylContact C-O 3.47Å; A272-A328 WeakPolarHBondContact CA-O 3.18Å; A272-A328 WeakPolarHBondContact CB-O 3.5Å; V273-A328 HydrophobicContact CG1-CB 4.16Å; V273-A328 PolarHBondContact N-O 2.88Å; V273-A328 PolarHBondContact O-N 3.45Å; L275-A328 HydrophobicContact CD1-CB 4.31Å; L275-A328 HydrophobicContact CD2-CB 3.86Å; L275-A328 HydrophobicContact CG-CB 4.31Å; L307-A328 HydrophobicContact CB-CB 4.18Å; L307-A328 HydrophobicContact CD1-CB 4.18Å; L307-A328 HydrophobicContact CD2-CB 4.24Å; L307-A328 HydrophobicContact CG-CB 4.44Å
329K98.6Very high93.1Very high85 Ų8562.2 Ų62.237%0.3733%0.334SS..EExtended strand (participates in β ladder)trans-59.4141.2171.3-66.4-170.8178.5-172.80110.4Y246 P247 M308 I310Y246-K329 HydrophobicContact CD1-CB 4.4Å; Y246-K329 HydrophobicContact CE1-CB 4.12Å; P247-K329 WeakPolarHBondContact CD-O 3.46Å; M308-K329 HydrophobicContact CB-CB 4.09Å; M308-K329 HydrophobicContact CB-CD 4.34Å; M308-K329 HydrophobicContact CB-CG 4.28Å; M308-K329 HydrophobicContact CE-CD 4.41Å; M308-K329 PolarHBondContact O-N 2.78Å; I310-K329 HydrophobicContact CD1-CG 4.1Å; I310-K329 HydrophobicContact CG1-CG 4.38Å; I310-K329 HydrophobicContact CG2-CD 4.32Å; I310-K329 HydrophobicContact CG2-CG 4.09Å
330L98.4Very high94.3Very high7 Ų753.8 Ų53.84%0.03730%0.296CS..PPolyproline II helixtrans-100.1153.1169.3-50.9170.9000109.7L92 Y246 P247 V249 T262 R271 V273L92-L330 HydrophobicContact CD2-CD1 3.78Å; Y246-L330 VanDerWaalsContact CD1-C 3.5Å; P247-L330 HydrophobicContact CG-CD2 3.74Å; V249-L330 HydrophobicContact CG2-CD2 3.54Å; T262-L330 HydrophobicContact CG2-CD1 3.62Å; R271-L330 WeakPolarHBondContact CD-O 3.24Å; R271-L330 HydrophobicContact CG-CB 3.96Å; R271-L330 PolarHBondContact O-N 3.07Å; V273-L330 HydrophobicContact CB-CD1 4.34Å; V273-L330 HydrophobicContact CB-CD2 4.09Å; V273-L330 HydrophobicContact CB-CG 4.41Å; V273-L330 HydrophobicContact CG1-CD2 3.68Å; V273-L330 HydrophobicContact CG1-CG 4.4Å
331D97.8Very high95.2Very high11 Ų1150.1 Ų50.16%0.05926%0.258CS..PPolyproline II helixtrans-74.5161-176.6-162.811.4000112T47 Y244 Y246 R271 N334T47-D331 HydrophobicContact CG2-CB 3.98Å; T47-D331 VanDerWaalsContact OG1-CB 3.31Å; T47-D331 WeakPolarHBondContact OG1-CB 3.17Å; T47-D331 PolarHBondContact OG1-OD2 3.2Å; Y244-D331 VanDerWaalsContact CE1-OD2 3.3Å; Y244-D331 WeakPolarHBondContact CE1-OD2 3.47Å; Y244-D331 PolarHBondContact OH-OD1 3.11Å; Y244-D331 PolarHBondContact OH-OD2 2.91Å; Y246-D331 HydrophobicContact CD1-CB 3.95Å; Y246-D331 HydrophobicContact CD2-CB 4.19Å; Y246-D331 HydrophobicContact CG-CB 3.69Å; R271-D331 WeakPolarHBondContact CD-O 3.47Å; R271-D331 PolarHBondContact NE-O 3.17Å; D331-N334 PolarHBondContact OD2-ND2 3.22Å
332E94.7Very high95.8Very high121 Ų12148 Ų4857%0.56524%0.244SC*.PPolyproline II helixtrans-85.4160.2171.1-35.2-149.8123.800110.8R271 N334R271-E332 IonicContact CZ-OE1 3.69Å; R271-E332 VanDerWaalsContact NH1-CD 3.31Å; R271-E332 IonicContact NH1-OE1 2.77Å; R271-E332 PolarHBondContact NH1-OE1 3.36Å; R271-E332 IonicContact NH2-OE1 3.51Å; E332-N334 PolarHBondContact O-N 2.77Å
333A94.6Very high96.1Very high33 Ų3345.9 Ų45.927%0.27323%0.229SC..  trans-60.1112.1170.500000110.4E49 K264E49-A333 HydrophobicContact CB-CB 3.89Å; E49-A333 HydrophobicContact CG-CB 3.72Å; E49-A333 PolarHBondContact OE2-N 3.02Å; E49-A333 VanDerWaalsContact OE2-N 3.13Å; K264-A333 VanDerWaalsContact CE-CB 3.41Å
334N97.3Very high96.4Very high56 Ų5644 Ų4430%0.29922%0.222SC..  trans-123.811.7-176.464.79000112.8R45 Y46 T47 Y244 D331 E332 P336R45-N334 PolarHBondContact O-ND2 2.91Å; Y46-N334 VanDerWaalsContact CA-OD1 3.24Å; Y46-N334 WeakPolarHBondContact CA-OD1 3.44Å; T47-N334 PolarHBondContact N-OD1 3.11Å; Y244-N334 PolarHBondContact OH-ND2 3.49Å; D331-N334 PolarHBondContact OD2-ND2 3.22Å; E332-N334 PolarHBondContact O-N 2.77Å; N334-P336 VanDerWaalsContact O-CD 3.29Å; N334-P336 WeakPolarHBondContact O-CD 3.41Å
335L96.3Very high96.6Very high16 Ų1638.6 Ų38.68%0.08419%0.194CC..  trans-66.5120.8172.9-79.7165.1000110.6Y46 L48 I339 N340Y46-L335 HydrophobicContact CD1-CD2 4.15Å; Y46-L335 HydrophobicContact CD2-CD2 4.39Å; Y46-L335 HydrophobicContact CG-CD2 3.87Å; L48-L335 HydrophobicContact CB-CD1 4.02Å; L48-L335 HydrophobicContact CD1-CD1 4.3Å; L48-L335 HydrophobicContact CG-CD1 4.34Å; L335-I339 HydrophobicContact CD2-CD1 3.82Å; L335-I339 HydrophobicContact CD2-CG1 4Å; L335-N340 HydrophobicContact CB-CB 4.12Å
336P95.4Very high96.6Very high42 Ų4240.8 Ų40.827%0.27320%0.203SC..  trans-59.2149.9172.4-24.133.9000112Y46 N334 E338 I339 N340Y46-P336 VanDerWaalsContact CE1-CD 3.45Å; Y46-P336 HydrophobicContact CE1-CG 4.04Å; N334-P336 VanDerWaalsContact O-CD 3.29Å; N334-P336 WeakPolarHBondContact O-CD 3.41Å; P336-E338 WeakPolarHBondContact CB-OE2 3.39Å; P336-E338 PolarHBondContact O-N 3.44Å; P336-I339 HydrophobicContact CB-CG1 4.28Å; P336-I339 HydrophobicContact CG-CD1 4.46Å; P336-I339 HydrophobicContact CG-CG1 4.32Å; P336-I339 CarbonylContact O-C 3.59Å; P336-I339 PolarHBondContact O-N 2.97Å; P336-N340 WeakPolarHBondContact O-CB 3.44Å; P336-N340 PolarHBondContact O-N 3.47Å
337K93.3Very high96.5Very high162 Ų16245.1 Ų45.170%0.70422%0.222SC*.THydrogen-bonded Turntrans-54.1-32.4-177.7-70-174.8177.4-177.50112.9K17 I339K17-K337 PolarHBondContact NZ-O 2.88Å; K17-K337 VanDerWaalsContact NZ-O 3.1Å; K337-I339 PolarHBondContact O-N 3.05Å
338E94.3Very high96.4Very high118 Ų11846.8 Ų46.855%0.55123%0.231SC*.THydrogen-bonded Turntrans-68.8-19.6-178.9-50.177.1-156.400113.2K17 P336K17-E338 WeakPolarHBondContact CG-O 3.36Å; P336-E338 WeakPolarHBondContact CB-OE2 3.39Å; P336-E338 PolarHBondContact O-N 3.44Å
339I95.6Very high96.3Very high3 Ų346.8 Ų46.82%0.01523%0.231CC..THydrogen-bonded Turntrans-126.89.718062.1168.8000113.2I21 Y46 L335 P336 K337 L341I21-I339 HydrophobicContact CD1-CB 4.06Å; I21-I339 VanDerWaalsContact CD1-O 3.26Å; I21-I339 WeakPolarHBondContact CD1-O 3.38Å; I21-I339 HydrophobicContact CG1-CB 3.76Å; I21-I339 HydrophobicContact CG1-CG2 3.82Å; Y46-I339 HydrophobicContact CD2-CD1 4.22Å; Y46-I339 HydrophobicContact CE2-CD1 3.83Å; L335-I339 HydrophobicContact CD2-CD1 3.82Å; L335-I339 HydrophobicContact CD2-CG1 4Å; P336-I339 HydrophobicContact CB-CG1 4.28Å; P336-I339 HydrophobicContact CG-CD1 4.46Å; P336-I339 HydrophobicContact CG-CG1 4.32Å; P336-I339 CarbonylContact O-C 3.59Å; P336-I339 PolarHBondContact O-N 2.97Å; K337-I339 PolarHBondContact O-N 3.05Å; I339-L341 PolarHBondContact O-N 3.21Å
340N96.9Very high96.1Very high10 Ų1046 Ų465%0.05323%0.229CC..  trans-89.9107.4176.2-171-7.9000110.3K17 L335 P336 V342 D343K17-N340 PolarHBondContact NZ-O 3.36Å; K17-N340 VanDerWaalsContact NZ-O 3.07Å; L335-N340 HydrophobicContact CB-CB 4.12Å; P336-N340 WeakPolarHBondContact O-CB 3.44Å; P336-N340 PolarHBondContact O-N 3.47Å; N340-V342 VanDerWaalsContact OD1-CB 3.27Å; N340-V342 WeakPolarHBondContact OD1-CB 3.41Å; N340-V342 PolarHBondContact OD1-N 3.26Å; N340-D343 PolarHBondContact ND2-OD1 3.12Å; N340-D343 PolarHBondContact ND2-OD2 3.47Å; N340-D343 PolarHBondContact OD1-N 3.23Å
341L97.2Very high96Very high1 Ų149.8 Ų49.81%0.00525%0.246CC..Hα-helixtrans-82.6-19175.2-71.4164.5000112.9N14 K17 A18 I21 V115 I339 D343 Y345N14-L341 HydrophobicContact CB-CD2 4.05Å; K17-L341 HydrophobicContact CB-CD2 4Å; K17-L341 HydrophobicContact CD-CD2 3.99Å; K17-L341 HydrophobicContact CD-CG 4.32Å; K17-L341 HydrophobicContact CG-CD2 4.05Å; K17-L341 HydrophobicContact CG-CG 4.48Å; A18-L341 HydrophobicContact CB-CD1 4.21Å; A18-L341 HydrophobicContact CB-CD2 4.42Å; I21-L341 HydrophobicContact CD1-CD1 3.79Å; I21-L341 HydrophobicContact CD1-CG 4.02Å; V115-L341 HydrophobicContact CG1-CD1 3.44Å; V115-L341 VanDerWaalsContact CG1-CD1 3.44Å; I339-L341 PolarHBondContact O-N 3.21Å; L341-D343 VanDerWaalsContact C-N 3.34Å; L341-Y345 WeakPolarHBondContact O-CB 3.47Å; L341-Y345 PolarHBondContact O-N 3.12Å
342V97.4Very high95.8Very high4 Ų450.6 Ų50.62%0.02425%0.249CC..Hα-helixtrans-67.4-39.8178-177.20000110L10 L48 F51 N340 Y345 F346L10-V342 HydrophobicContact CD1-CG2 4.17Å; L48-V342 HydrophobicContact CD1-CG2 3.57Å; L48-V342 HydrophobicContact CD2-CG2 3.88Å; L48-V342 HydrophobicContact CG-CG2 3.6Å; F51-V342 HydrophobicContact CB-CG1 4.17Å; F51-V342 HydrophobicContact CD1-CG1 3.68Å; F51-V342 HydrophobicContact CG-CG1 4.42Å; N340-V342 VanDerWaalsContact OD1-CB 3.27Å; N340-V342 WeakPolarHBondContact OD1-CB 3.41Å; N340-V342 PolarHBondContact OD1-N 3.26Å; V342-Y345 PolarHBondContact O-N 3.5Å; V342-F346 VanDerWaalsContact O-CB 3.3Å; V342-F346 WeakPolarHBondContact O-CB 3.19Å; V342-F346 PolarHBondContact O-N 3.05Å
343D95.7Very high95.8Very high56 Ų5646.4 Ų46.430%0.29923%0.228SC..Hα-helixtrans-63.1-48.1177.1-66.1-7.7000110.7N340 L341 Y345 F346 E347N340-D343 PolarHBondContact ND2-OD1 3.12Å; N340-D343 PolarHBondContact ND2-OD2 3.47Å; N340-D343 PolarHBondContact OD1-N 3.23Å; L341-D343 VanDerWaalsContact C-N 3.34Å; D343-Y345 VanDerWaalsContact C-N 3.34Å; D343-Y345 PolarHBondContact O-N 3.24Å; D343-F346 PolarHBondContact O-N 3.29Å; D343-F346 VanDerWaalsContact O-N 3.16Å; D343-E347 WeakPolarHBondContact O-CG 3.48Å; D343-E347 PolarHBondContact O-N 3.37Å
344D96.1Very high95.8Very high42 Ų4251 Ų5123%0.22524%0.242CC..Hα-helixtrans-60.7-42.9177.8-65.7-10.3000111.8N14 K17 F346 L348N14-D344 HydrophobicContact CB-CB 4.21Å; N14-D344 WeakPolarHBondContact CB-OD2 3.34Å; N14-D344 PolarHBondContact ND2-OD2 3.07Å; K17-D344 WeakPolarHBondContact CD-OD2 3.49Å; K17-D344 WeakPolarHBondContact CE-OD2 3.45Å; K17-D344 IonicContact NZ-OD1 3.71Å; K17-D344 PolarHBondContact NZ-OD1 3.41Å; K17-D344 IonicContact NZ-OD2 3.85Å; K17-D344 PolarHBondContact NZ-OD2 3.24Å; D344-F346 VanDerWaalsContact C-N 3.34Å; D344-L348 PolarHBondContact O-N 3.49Å
345Y97.7Very high95.5Very high0 Ų052.5 Ų52.50%025%0.246CC..Hα-helixtrans-66.3-38.6177.1-163.6-72.7000111.3P7 L10 F51 L68 L341 V342 D343 L348 V349P7-Y345 HydrophobicContact CB-CE2 4.12Å; P7-Y345 HydrophobicContact CG-CE2 4.31Å; P7-Y345 PolarHBondContact O-OH 3Å; L10-Y345 HydrophobicContact CD2-CD1 4.42Å; L10-Y345 HydrophobicContact CD2-CD2 4.01Å; L10-Y345 HydrophobicContact CD2-CG 3.87Å; F51-Y345 AromaticContact CE1-CD1 3.64Å; F51-Y345 HydrophobicContact CE1-CD1 3.64Å; F51-Y345 HydrophobicContact CE1-CE1 4.32Å; F51-Y345 HydrophobicContact CE1-CG 4.46Å; F51-Y345 AromaticContact CZ-CD1 3.89Å; F51-Y345 HydrophobicContact CZ-CD1 3.89Å; F51-Y345 HydrophobicContact CZ-CE1 4.17Å; L68-Y345 HydrophobicContact CD1-CD1 3.99Å; L68-Y345 HydrophobicContact CD1-CE1 3.49Å; L68-Y345 VanDerWaalsContact CD1-CE1 3.49Å; L68-Y345 HydrophobicContact CD1-CE2 4.23Å; L68-Y345 HydrophobicContact CD2-CD2 4.49Å; L68-Y345 HydrophobicContact CD2-CE1 4.45Å; L68-Y345 HydrophobicContact CD2-CE2 3.75Å; L68-Y345 HydrophobicContact CG-CE1 4.13Å; L68-Y345 HydrophobicContact CG-CE2 4.3Å; L341-Y345 WeakPolarHBondContact O-CB 3.47Å; L341-Y345 PolarHBondContact O-N 3.12Å; V342-Y345 PolarHBondContact O-N 3.5Å; D343-Y345 VanDerWaalsContact C-N 3.34Å; D343-Y345 PolarHBondContact O-N 3.24Å; Y345-L348 WeakPolarHBondContact O-CB 3.38Å; Y345-L348 PolarHBondContact O-N 3.49Å; Y345-V349 HydrophobicContact CD1-CG2 3.56Å; Y345-V349 HydrophobicContact CE1-CG2 3.37Å; Y345-V349 WeakPolarHBondContact O-CG2 3.16Å; Y345-V349 PolarHBondContact O-N 3.48Å
346F96.8Very high95.2Very high51 Ų5155.2 Ų55.222%0.22426%0.255CS..Hα-helixtrans-64.6-42.3178.8-176-117000112.2F51 F56 V342 D343 D344 L348 V349 Q350F51-F346 HydrophobicContact CB-CB 4.4Å; F51-F346 HydrophobicContact CB-CD2 3.75Å; F51-F346 HydrophobicContact CB-CE2 4.22Å; F51-F346 HydrophobicContact CB-CG 4.19Å; F51-F346 HydrophobicContact CD1-CB 3.91Å; F51-F346 HydrophobicContact CD1-CD2 4.03Å; F51-F346 HydrophobicContact CD1-CG 4.39Å; F51-F346 AromaticContact CD2-CD2 3.44Å; F51-F346 HydrophobicContact CD2-CD2 3.44Å; F51-F346 VanDerWaalsContact CD2-CD2 3.44Å; F51-F346 AromaticContact CD2-CE2 3.88Å; F51-F346 HydrophobicContact CD2-CE2 3.88Å; F51-F346 HydrophobicContact CD2-CG 4.49Å; F51-F346 HydrophobicContact CE1-CB 4.42Å; F51-F346 HydrophobicContact CE2-CD2 4.02Å; F51-F346 HydrophobicContact CG-CB 4.14Å; F51-F346 AromaticContact CG-CD2 3.47Å; F51-F346 HydrophobicContact CG-CD2 3.47Å; F51-F346 VanDerWaalsContact CG-CD2 3.47Å; F51-F346 HydrophobicContact CG-CE2 4.18Å; F51-F346 HydrophobicContact CG-CG 4.13Å; F56-F346 HydrophobicContact CE2-CE2 4.2Å; F56-F346 AromaticContact CZ-CE2 3.91Å; F56-F346 HydrophobicContact CZ-CE2 3.91Å; V342-F346 VanDerWaalsContact O-CB 3.3Å; V342-F346 WeakPolarHBondContact O-CB 3.19Å; V342-F346 PolarHBondContact O-N 3.05Å; D343-F346 PolarHBondContact O-N 3.29Å; D343-F346 VanDerWaalsContact O-N 3.16Å; D344-F346 VanDerWaalsContact C-N 3.34Å; F346-L348 VanDerWaalsContact C-N 3.3Å; F346-L348 PolarHBondContact O-N 3.22Å; F346-V349 WeakPolarHBondContact O-CB 3.49Å; F346-V349 PolarHBondContact O-N 3.26Å; F346-V349 VanDerWaalsContact O-N 3.13Å; F346-Q350 HydrophobicContact CD1-CG 4.37Å; F346-Q350 HydrophobicContact CE1-CG 4.15Å; F346-Q350 HydrophobicContact CE2-CG 4.46Å; F346-Q350 HydrophobicContact CZ-CG 4.23Å; F346-Q350 WeakPolarHBondContact O-CG 3.34Å; F346-Q350 PolarHBondContact O-N 3.04Å
347E96.1Very high94.9Very high130 Ų13057 Ų5761%0.60726%0.26SS*.Hα-helixtrans-59.5-41.2173.9-68.8-59146.600111.7D343 V349 Q350 H351D343-E347 WeakPolarHBondContact O-CG 3.48Å; D343-E347 PolarHBondContact O-N 3.37Å; E347-V349 PolarHBondContact O-N 3.22Å; E347-Q350 PolarHBondContact O-N 3.47Å; E347-H351 PolarHBondContact O-N 3.21Å
348L95.6Very high94.7Very high34 Ų3454 Ų5418%0.17825%0.248CC..Hα-helixtrans-61.1-44.8173.6178.663.2000111.7L6 P7 D344 Y345 F346 Q350 H351 E352L6-L348 HydrophobicContact CD2-CG 4.4Å; P7-L348 VanDerWaalsContact CD-CD2 3.49Å; P7-L348 HydrophobicContact CG-CD2 3.65Å; D344-L348 PolarHBondContact O-N 3.49Å; Y345-L348 WeakPolarHBondContact O-CB 3.38Å; Y345-L348 PolarHBondContact O-N 3.49Å; F346-L348 VanDerWaalsContact C-N 3.3Å; F346-L348 PolarHBondContact O-N 3.22Å; L348-Q350 VanDerWaalsContact C-N 3.32Å; L348-Q350 PolarHBondContact O-N 3.28Å; L348-H351 PolarHBondContact O-N 3.3Å; L348-E352 HydrophobicContact CD1-CG 4.19Å; L348-E352 WeakPolarHBondContact O-CG 3.46Å; L348-E352 PolarHBondContact O-N 3.14Å
349V96.3Very high94.1Very high0 Ų054 Ų540%025%0.252CS..Hα-helixtrans-60.6-41.8176.9170.80000111.4L6 F51 F56 F60 I64 Y345 F346 E347 E352 Y353L6-V349 HydrophobicContact CD1-CG2 4.1Å; L6-V349 HydrophobicContact CD2-CG2 3.99Å; F51-V349 HydrophobicContact CE2-CG1 4.49Å; F51-V349 HydrophobicContact CE2-CG2 4.5Å; F51-V349 HydrophobicContact CZ-CG2 3.92Å; F56-V349 HydrophobicContact CE1-CG1 4.05Å; F56-V349 HydrophobicContact CE2-CG1 3.87Å; F56-V349 HydrophobicContact CZ-CG1 3.54Å; F60-V349 HydrophobicContact CE1-CG1 3.87Å; I64-V349 HydrophobicContact CD1-CG1 3.56Å; I64-V349 HydrophobicContact CG1-CG1 4.07Å; Y345-V349 HydrophobicContact CD1-CG2 3.56Å; Y345-V349 HydrophobicContact CE1-CG2 3.37Å; Y345-V349 WeakPolarHBondContact O-CG2 3.16Å; Y345-V349 PolarHBondContact O-N 3.48Å; F346-V349 WeakPolarHBondContact O-CB 3.49Å; F346-V349 PolarHBondContact O-N 3.26Å; F346-V349 VanDerWaalsContact O-N 3.13Å; E347-V349 PolarHBondContact O-N 3.22Å; V349-E352 PolarHBondContact O-N 3.43Å; V349-Y353 VanDerWaalsContact O-CB 3.26Å; V349-Y353 WeakPolarHBondContact O-CB 3.32Å; V349-Y353 PolarHBondContact O-N 3.28Å
350Q95.6Very high93.1Very high69 Ų6955.8 Ų55.832%0.32227%0.265SS..Hα-helixtrans-63.5-45.5177.6-68.8-69.1300111.9F346 E347 L348 Y353 K354F346-Q350 HydrophobicContact CD1-CG 4.37Å; F346-Q350 HydrophobicContact CE1-CG 4.15Å; F346-Q350 HydrophobicContact CE2-CG 4.46Å; F346-Q350 HydrophobicContact CZ-CG 4.23Å; F346-Q350 WeakPolarHBondContact O-CG 3.34Å; F346-Q350 PolarHBondContact O-N 3.04Å; E347-Q350 PolarHBondContact O-N 3.47Å; L348-Q350 VanDerWaalsContact C-N 3.32Å; L348-Q350 PolarHBondContact O-N 3.28Å; Q350-Y353 PolarHBondContact O-N 3.19Å; Q350-K354 PolarHBondContact O-N 2.74Å
351H94.8Very high91.9Very high86 Ų8660.6 Ų60.640%0.39829%0.287SS..Hα-helixtrans-60.6-46.1176.6169.8-97.1000112.1E347 L348 Y353 K354 K355E347-H351 PolarHBondContact O-N 3.21Å; L348-H351 PolarHBondContact O-N 3.3Å; H351-Y353 VanDerWaalsContact C-N 3.34Å; H351-K354 PolarHBondContact O-N 2.78Å; H351-K355 WeakPolarHBondContact CE1-CE 3.08Å; H351-K355 PolarHBondContact CE1-NZ 2.9Å; H351-K355 VanDerWaalsContact NE2-CE 3.33Å; H351-K355 WeakPolarHBondContact NE2-CE 3.31Å; H351-K355 PolarHBondContact O-N 3.45Å
352E94.1Very high90.3Very high28 Ų2865 Ų6513%0.13131%0.308CS..Hα-helixtrans-70.5-30.7178.1-64.6-53.2140.800112.5V5 L6 F60 L348 V349 K355 W356V5-E352 HydrophobicContact CG1-CB 4.1Å; V5-E352 VanDerWaalsContact CG1-CD 3.49Å; V5-E352 HydrophobicContact CG1-CG 3.71Å; V5-E352 WeakPolarHBondContact CG1-OE2 3.34Å; L6-E352 HydrophobicContact CD2-CB 4.13Å; L6-E352 HydrophobicContact CD2-CG 4.04Å; F60-E352 HydrophobicContact CZ-CB 4.26Å; L348-E352 HydrophobicContact CD1-CG 4.19Å; L348-E352 WeakPolarHBondContact O-CG 3.46Å; L348-E352 PolarHBondContact O-N 3.14Å; V349-E352 PolarHBondContact O-N 3.43Å; E352-K355 PolarHBondContact O-N 2.73Å; E352-W356 VanDerWaalsContact O-CB 3.3Å; E352-W356 WeakPolarHBondContact O-CB 3.35Å; E352-W356 PolarHBondContact O-N 3.32Å
353Y94.4Very high88.5Confident33 Ų3366.3 Ų66.313%0.12932%0.322CS..Hα-helixtrans-66.2-42.3174.1-172.9-124.2000111.9F56 F60 V349 Q350 H351 K355 W356 Q357F56-Y353 AromaticContact CD1-CD1 3.63Å; F56-Y353 HydrophobicContact CD1-CD1 3.63Å; F56-Y353 AromaticContact CD1-CD2 3.96Å; F56-Y353 HydrophobicContact CD1-CD2 3.96Å; F56-Y353 AromaticContact CD1-CE1 3.9Å; F56-Y353 HydrophobicContact CD1-CE1 3.9Å; F56-Y353 HydrophobicContact CD1-CE2 4.23Å; F56-Y353 AromaticContact CD1-CG 3.65Å; F56-Y353 HydrophobicContact CD1-CG 3.65Å; F56-Y353 AromaticContact CE1-CD1 3.89Å; F56-Y353 HydrophobicContact CE1-CD1 3.89Å; F56-Y353 AromaticContact CE1-CG 3.98Å; F56-Y353 HydrophobicContact CE1-CG 3.98Å; F60-Y353 HydrophobicContact CB-CD2 3.94Å; F60-Y353 HydrophobicContact CB-CE2 3.89Å; F60-Y353 AromaticContact CD1-CD2 3.39Å; F60-Y353 HydrophobicContact CD1-CD2 3.39Å; F60-Y353 HydrophobicContact CD1-CE2 4.09Å; F60-Y353 HydrophobicContact CD1-CG 4.09Å; F60-Y353 AromaticContact CD2-CD2 3.89Å; F60-Y353 HydrophobicContact CD2-CD2 3.89Å; F60-Y353 AromaticContact CE1-CD2 3.73Å; F60-Y353 HydrophobicContact CE1-CD2 3.73Å; F60-Y353 HydrophobicContact CE1-CG 4.03Å; F60-Y353 HydrophobicContact CE2-CD2 4.21Å; F60-Y353 AromaticContact CG-CD2 3.47Å; F60-Y353 HydrophobicContact CG-CD2 3.47Å; F60-Y353 VanDerWaalsContact CG-CD2 3.47Å; F60-Y353 AromaticContact CG-CE2 3.96Å; F60-Y353 HydrophobicContact CG-CE2 3.96Å; F60-Y353 HydrophobicContact CZ-CD2 4.14Å; F60-Y353 HydrophobicContact CZ-CG 4.44Å; V349-Y353 VanDerWaalsContact O-CB 3.26Å; V349-Y353 WeakPolarHBondContact O-CB 3.32Å; V349-Y353 PolarHBondContact O-N 3.28Å; Q350-Y353 PolarHBondContact O-N 3.19Å; H351-Y353 VanDerWaalsContact C-N 3.34Å; Y353-K355 PolarHBondContact O-N 3.06Å; Y353-W356 HydrophobicContact CD2-CE3 4.45Å; Y353-W356 HydrophobicContact CE2-CE3 4.12Å; Y353-W356 HydrophobicContact CE2-CZ3 4.49Å; Y353-W356 WeakPolarHBondContact O-CB 3.38Å; Y353-W356 PolarHBondContact O-N 3.44Å; Y353-Q357 HydrophobicContact CE1-CG 4.39Å; Y353-Q357 HydrophobicContact CE2-CG 4.39Å; Y353-Q357 WeakPolarHBondContact O-CG 3.46Å; Y353-Q357 PolarHBondContact O-N 3.12Å; Y353-Q357 PolarHBondContact OH-NE2 2.84Å
354K94.1Very high86.8Confident130 Ų13071.6 Ų71.657%0.56534%0.338SS*.Hα-helixtrans-59.6-47175.4-173.2-177177-172.60111.5Q350 H351 W356 Q357 E358Q350-K354 PolarHBondContact O-N 2.74Å; H351-K354 PolarHBondContact O-N 2.78Å; K354-W356 VanDerWaalsContact C-N 3.31Å; K354-W356 PolarHBondContact O-N 3.3Å; K354-Q357 WeakPolarHBondContact O-CB 3.22Å; K354-Q357 PolarHBondContact O-N 2.76Å; K354-E358 VanDerWaalsContact CE-OE1 3.28Å; K354-E358 WeakPolarHBondContact CE-OE1 3.48Å; K354-E358 WeakPolarHBondContact O-CG 3.46Å; K354-E358 PolarHBondContact O-N 2.81Å
355K91.6Very high84.8Confident88 Ų8877.4 Ų77.438%0.38336%0.357SS..Hα-helixtrans-61.2-39.5174.7-72.6-176.2174.7-179.10112.8H351 E352 Y353 Q357 E358 N359H351-K355 WeakPolarHBondContact CE1-CE 3.08Å; H351-K355 PolarHBondContact CE1-NZ 2.9Å; H351-K355 VanDerWaalsContact NE2-CE 3.33Å; H351-K355 WeakPolarHBondContact NE2-CE 3.31Å; H351-K355 PolarHBondContact O-N 3.45Å; E352-K355 PolarHBondContact O-N 2.73Å; Y353-K355 PolarHBondContact O-N 3.06Å; K355-Q357 VanDerWaalsContact C-N 3.3Å; K355-Q357 PolarHBondContact O-N 3.48Å; K355-E358 PolarHBondContact O-N 3.37Å; K355-N359 WeakPolarHBondContact O-CB 3.49Å; K355-N359 PolarHBondContact O-N 3.06Å; K355-N359 PolarHBondContact O-ND2 3.08Å
356W89.4Confident82.6Confident73 Ų7383 Ų8328%0.27738%0.383SS..Hα-helixtrans-62.4-39.7177.5-175.491.8000111.6Q59 F60 E352 Y353 K354 S360Q59-W356 HydrophobicContact CB-CZ2 4.2Å; F60-W356 HydrophobicContact CD2-CB 4.07Å; F60-W356 AromaticContact CD2-CD1 3.98Å; F60-W356 HydrophobicContact CD2-CD2 4.16Å; F60-W356 AromaticContact CD2-CG 3.79Å; F60-W356 HydrophobicContact CD2-CG 3.79Å; F60-W356 HydrophobicContact CE2-CB 3.99Å; F60-W356 HydrophobicContact CE2-CG 4.16Å; E352-W356 VanDerWaalsContact O-CB 3.3Å; E352-W356 WeakPolarHBondContact O-CB 3.35Å; E352-W356 PolarHBondContact O-N 3.32Å; Y353-W356 HydrophobicContact CD2-CE3 4.45Å; Y353-W356 HydrophobicContact CE2-CE3 4.12Å; Y353-W356 HydrophobicContact CE2-CZ3 4.49Å; Y353-W356 WeakPolarHBondContact O-CB 3.38Å; Y353-W356 PolarHBondContact O-N 3.44Å; K354-W356 VanDerWaalsContact C-N 3.31Å; K354-W356 PolarHBondContact O-N 3.3Å; W356-S360 WeakPolarHBondContact O-CB 3.25Å; W356-S360 PolarHBondContact O-N 3.43Å
357Q90.1Very high80.4Confident78 Ų7887.6 Ų87.636%0.36441%0.407SS..Hα-helixtrans-64.4-48.3174.6-69.9174.8-3600111.6Y353 K354 K355 N359 S360 E361Y353-Q357 HydrophobicContact CE1-CG 4.39Å; Y353-Q357 HydrophobicContact CE2-CG 4.39Å; Y353-Q357 WeakPolarHBondContact O-CG 3.46Å; Y353-Q357 PolarHBondContact O-N 3.12Å; Y353-Q357 PolarHBondContact OH-NE2 2.84Å; K354-Q357 WeakPolarHBondContact O-CB 3.22Å; K354-Q357 PolarHBondContact O-N 2.76Å; K355-Q357 VanDerWaalsContact C-N 3.3Å; K355-Q357 PolarHBondContact O-N 3.48Å; Q357-N359 VanDerWaalsContact C-N 3.35Å; Q357-N359 PolarHBondContact O-N 3.36Å; Q357-S360 PolarHBondContact O-N 3.39Å; Q357-S360 VanDerWaalsContact O-N 3.16Å; Q357-E361 WeakPolarHBondContact O-CG 3.23Å; Q357-E361 PolarHBondContact O-N 3.45Å
358E88.8Confident78.1Confident99 Ų9989.1 Ų89.146%0.46341%0.414SS..Hα-helixtrans-58.5-44.6178.8-70168.9-177.400111.8K354 K355 E361 Q362K354-E358 VanDerWaalsContact CE-OE1 3.28Å; K354-E358 WeakPolarHBondContact CE-OE1 3.48Å; K354-E358 WeakPolarHBondContact O-CG 3.46Å; K354-E358 PolarHBondContact O-N 2.81Å; K355-E358 PolarHBondContact O-N 3.37Å; E358-E361 PolarHBondContact O-N 2.77Å; E358-Q362 WeakPolarHBondContact O-CB 3.25Å; E358-Q362 PolarHBondContact O-N 2.88Å
359N82Confident75.9Confident118 Ų11891.1 Ų91.163%0.63144%0.435SS*.Hα-helixtrans-68.3-35.3176.9-70.7-18.2000112.8K355 Q357 Q362 G363K355-N359 WeakPolarHBondContact O-CB 3.49Å; K355-N359 PolarHBondContact O-N 3.06Å; K355-N359 PolarHBondContact O-ND2 3.08Å; Q357-N359 VanDerWaalsContact C-N 3.35Å; Q357-N359 PolarHBondContact O-N 3.36Å; N359-Q362 PolarHBondContact O-N 3.5Å; N359-G363 PolarHBondContact O-N 2.93Å
360S74.8Confident73.4Confident41 Ų4198.8 Ų98.829%0.28747%0.471SS..Hα-helixtrans-68.7-37.5176.1-171.10000111.7W356 Q357 R364W356-S360 WeakPolarHBondContact O-CB 3.25Å; W356-S360 PolarHBondContact O-N 3.43Å; Q357-S360 PolarHBondContact O-N 3.39Å; Q357-S360 VanDerWaalsContact O-N 3.16Å; S360-R364 WeakPolarHBondContact O-CG 3.44Å; S360-R364 PolarHBondContact O-N 3.2Å
361E71Confident70.7Confident111 Ų111102.1 Ų102.152%0.51949%0.491SS..Hα-helixtrans-68.2-40.2173.7-72.8-176-178.200112Q357 E358 R364 R365Q357-E361 WeakPolarHBondContact O-CG 3.23Å; Q357-E361 PolarHBondContact O-N 3.45Å; E358-E361 PolarHBondContact O-N 2.77Å; E361-R364 PolarHBondContact O-N 3.42Å; E361-R365 WeakPolarHBondContact O-CG 3.46Å; E361-R365 PolarHBondContact O-N 3.19Å
362Q63.3Low68.4Low93 Ų93104.4 Ų104.444%0.43551%0.514SS..Hα-helixtrans-63.2-45175.6-168.865.417.200111.6E358 N359 R364 R365 E366E358-Q362 WeakPolarHBondContact O-CB 3.25Å; E358-Q362 PolarHBondContact O-N 2.88Å; N359-Q362 PolarHBondContact O-N 3.5Å; Q362-R364 VanDerWaalsContact C-N 3.31Å; Q362-R364 PolarHBondContact O-N 2.92Å; Q362-R365 PolarHBondContact O-N 2.85Å; Q362-E366 PolarHBondContact NE2-OE1 3.34Å; Q362-E366 WeakPolarHBondContact O-CG 3.09Å; Q362-E366 PolarHBondContact O-N 3.43Å
363G60.5Low65.5Low32 Ų32111.6 Ų111.633%0.3355%0.549SS..Hα-helixtrans-64-32.4174.500000113.6N359 M367N359-G363 PolarHBondContact O-N 2.93Å; G363-M367 PolarHBondContact O-N 2.91Å
364R59.2Low63.3Low167 Ų167119.6 Ų119.663%0.6359%0.588SS**Hα-helixtrans-71-38.4171.9-75.4179.3-174.2-146.21.6112.3S360 E361 Q362 E366 M367 H368S360-R364 WeakPolarHBondContact O-CG 3.44Å; S360-R364 PolarHBondContact O-N 3.2Å; E361-R364 PolarHBondContact O-N 3.42Å; Q362-R364 VanDerWaalsContact C-N 3.31Å; Q362-R364 PolarHBondContact O-N 2.92Å; R364-E366 VanDerWaalsContact C-N 3.35Å; R364-M367 PolarHBondContact O-N 3.36Å; R364-H368 WeakPolarHBondContact O-CB 3.47Å; R364-H368 PolarHBondContact O-CD2 3.33Å; R364-H368 PolarHBondContact O-N 3.41Å
365R54.7Low60.2Low165 Ų165118.7 Ų118.762%0.62360%0.598SS**Hα-helixtrans-65.5-38.2174.6-74176.6-175.5177.74.7111.7E361 Q362 H368 A369E361-R365 WeakPolarHBondContact O-CG 3.46Å; E361-R365 PolarHBondContact O-N 3.19Å; Q362-R365 PolarHBondContact O-N 2.85Å; R365-H368 PolarHBondContact O-N 3.07Å; R365-A369 WeakPolarHBondContact O-CB 3.14Å; R365-A369 PolarHBondContact O-N 3.1Å
366E52.6Low57.8Low118 Ų118120.1 Ų120.155%0.55162%0.619SS**Hα-helixtrans-70.2-36.6175.5-73.4171.7-170.400112.5Q362 R364 A369Q362-E366 PolarHBondContact NE2-OE1 3.34Å; Q362-E366 WeakPolarHBondContact O-CG 3.09Å; Q362-E366 PolarHBondContact O-N 3.43Å; R364-E366 VanDerWaalsContact C-N 3.35Å; E366-A369 PolarHBondContact O-N 3.15Å
367M49.9Very low55.1Low146 Ų146124.5 Ų124.572%0.71965%0.647SS**Hα-helixtrans-69.6-35.7171.8-80.6-168.275.300113.2G363 R364 A369 Q370G363-M367 PolarHBondContact O-N 2.91Å; R364-M367 PolarHBondContact O-N 3.36Å; M367-A369 VanDerWaalsContact C-N 3.26Å; M367-A369 PolarHBondContact O-N 2.61Å; M367-Q370 PolarHBondContact O-N 3.21Å
368H48.3Very low52.7Low162 Ų162125.1 Ų125.175%0.7566%0.658SS**Hα-helixtrans-75.2-13.4174.9-78.4-58.9000113.6R364 R365R364-H368 WeakPolarHBondContact O-CB 3.47Å; R364-H368 PolarHBondContact O-CD2 3.33Å; R364-H368 PolarHBondContact O-N 3.41Å; R365-H368 PolarHBondContact O-N 3.07Å
369A48.5Very low50.3Low76 Ų76129 Ų12963%0.62868%0.676SS**THydrogen-bonded Turntrans-86.3-1172.800000113.6R365 E366 M367 N371R365-A369 WeakPolarHBondContact O-CB 3.14Å; R365-A369 PolarHBondContact O-N 3.1Å; E366-A369 PolarHBondContact O-N 3.15Å; M367-A369 VanDerWaalsContact C-N 3.26Å; M367-A369 PolarHBondContact O-N 2.61Å; A369-N371 VanDerWaalsContact C-N 3.26Å; A369-N371 PolarHBondContact O-N 2.83Å
370Q44.2Very low48.4Very low162 Ų162131.2 Ų131.276%0.75769%0.687SS**  trans-89.254.4172.7-69.5-171.6-10.400112.2M367M367-Q370 PolarHBondContact O-N 3.21Å
371N38.1Very low46.9Very low138 Ų138132.9 Ų132.974%0.73870%0.698SS**SBendtrans-108.3124.6150.4-90-29000106.2A369 M373A369-N371 VanDerWaalsContact C-N 3.26Å; A369-N371 PolarHBondContact O-N 2.83Å; N371-M373 VanDerWaalsContact C-N 3.34Å; N371-M373 PolarHBondContact O-N 3.27Å
372P46.4Very low45.9Very low135 Ų135133.6 Ų133.688%0.87771%0.705SS**  trans-73.991.8-178.229.4-30.9000108.9
373M34.6Very low45.4Very low179 Ų179132.8 Ų132.888%0.88270%0.702SS**  trans-138.9119.8155.1-136.9-177160.300108.4N371 S375N371-M373 VanDerWaalsContact C-N 3.34Å; N371-M373 PolarHBondContact O-N 3.27Å; M373-S375 PolarHBondContact O-N 3.34Å
374E46.7Very low45.3Very low200 Ų200138.5 Ų138.594%0.93573%0.725SS**  trans-44.5120.4-175.2-70.5164.7129.200112.4
375S30.4Very low45.8Very low111 Ų111134.4 Ų134.478%0.77672%0.719SS**  trans-134.4106.2153.979.80000108.8M373M373-S375 PolarHBondContact O-N 3.34Å
376S40.3Very low46.6Very low119 Ų119134.4 Ų134.483%0.83272%0.723SS**  trans-60.8126.917829.80000112.4
377L32.8Very low48Very low164 Ų164129.2 Ų129.286%0.85970%0.7SS**  trans-128.1144.5155.5-82169.1000109.3
378P38.8Very low49.6Very low91 Ų91128.9 Ų128.959%0.59170%0.697SS**  trans-88.4130.6-149.3-0.820.2000111.8L380P378-L380 PolarHBondContact O-N 3.25Å; P378-L380 VanDerWaalsContact O-N 3.16Å
379Q40Very low51.2Low181 Ų181123.4 Ų123.485%0.84668%0.675SS**  trans-60.7112.3159.6-92.1175.6-57.100109.1S381Q379-S381 PolarHBondContact O-N 2.97Å
380L42.4Very low52.3Low164 Ų164125.1 Ų125.186%0.85968%0.679SS**  trans-68.785.7160.5-77.9158.5000108.3P378P378-L380 PolarHBondContact O-N 3.25Å; P378-L380 VanDerWaalsContact O-N 3.16Å
381S42.3Very low53.4Low76 Ų76125.5 Ų125.553%0.53169%0.687SS.*  trans-98.6115.9163.6-164.90000107.6Q379 V398Q379-S381 PolarHBondContact O-N 2.97Å; S381-V398 WeakPolarHBondContact O-CG2 3.29Å
382L49.3Very low55.3Low126 Ų126120 Ų12066%0.6666%0.659SS**EExtended strand (participates in β ladder)trans-79.1130.5173.2-71.2161.6000107.9
383M53.6Low56.5Low77 Ų77118.6 Ų118.638%0.37965%0.65SS.*EExtended strand (participates in β ladder)trans-88.9135.5166.3-80.8176.3158.800108.7V385 F395 V398 Q401M383-V385 PolarHBondContact O-N 2.84Å; M383-F395 WeakPolarHBondContact O-CB 3.42Å; M383-V398 HydrophobicContact CE-CG1 3.93Å; M383-V398 HydrophobicContact CG-CG2 4.14Å; M383-V398 HydrophobicContact SD-CG1 4.23Å; M383-V398 HydrophobicContact SD-CG2 4.3Å; M383-Q401 PolarHBondContact SD-NE2 3.28Å
384D57.8Low58.4Low152 Ų152115.4 Ų115.481%0.81363%0.631SS**EExtended strand (participates in β ladder)trans-7239.6179-73.3-33.7000113.7
385V69.9Low59.8Low81 Ų81110.1 Ų110.149%0.49161%0.605SS.*EExtended strand (participates in β ladder)trans-117.4128.4177.1-1690000108.4M383 F395 M396M383-V385 PolarHBondContact O-N 2.84Å; V385-F395 CarbonylContact O-C 3.43Å; V385-F395 WeakPolarHBondContact O-CA 3.47Å; V385-M396 HydrophobicContact CB-CG 4.48Å; V385-M396 HydrophobicContact CB-SD 3.77Å; V385-M396 HydrophobicContact CG1-SD 3.45Å; V385-M396 WeakPolarHBondContact CG1-SD 3.36Å; V385-M396 WeakPolarHBondContact O-CB 3.46Å; V385-M396 WeakPolarHBondContact O-CG 3.33Å; V385-M396 PolarHBondContact O-N 3.39Å
386K72.6Confident61.9Low164 Ų164105.9 Ų105.971%0.71357%0.573SS**EExtended strand (participates in β ladder)trans-66.5142-176-70.7-176.9178.9178.40111.2E388 F395 M396K386-E388 PolarHBondContact O-N 3.27Å; K386-F395 HydrophobicContact CG-CD1 4.47Å; K386-F395 HydrophobicContact CG-CE1 4.27Å; K386-M396 WeakPolarHBondContact O-CG 3.41Å
387C81.8Confident63.2Low10 Ų10101 Ų1017%0.06854%0.54CS..  trans-58.6136.4174.6176.30000111.4T389 C392 F394 C404C387-T389 PolarHBondContact O-N 3.15Å; C387-T389 VanDerWaalsContact O-N 3.13Å; C387-T389 PolarHBondContact SG-N 3.39Å; C387-T389 VanDerWaalsContact SG-N 3.38Å; C387-T389 PolarHBondContact SG-OG1 3.37Å; C387-T389 VanDerWaalsContact SG-OG1 3.42Å; C387-C392 HydrophobicContact CB-CB 4.21Å; C387-F394 WeakPolarHBondContact CB-O 3.44Å; C387-F394 PolarHBondContact N-O 3.36Å; C387-C404 HydrophobicContact CB-CB 4.04Å; C387-C404 PolarHBondContact SG-N 2.8Å
388E82.9Confident64.8Low138 Ų13896 Ų9665%0.64552%0.516SS*.SBendtrans-69.3-5.4178.1-75.9-172.4175.100114.7K386 P390 P402 L403K386-E388 PolarHBondContact O-N 3.27Å; E388-P390 WeakPolarHBondContact O-CD 3.19Å; E388-P402 HydrophobicContact CB-CB 4.43Å; E388-P402 HydrophobicContact CG-CB 3.93Å; E388-P402 HydrophobicContact CG-CG 4.5Å; E388-P402 PolarHBondContact N-O 3Å; E388-P402 WeakPolarHBondContact OE2-CB 3.47Å; E388-P402 WeakPolarHBondContact OE2-CG 3.48Å; E388-L403 HydrophobicContact CB-CD2 4.42Å
389T82.3Confident65.9Low47 Ų4797.4 Ų97.429%0.28852%0.518SS..SBendtrans-71.2123.5174.8-56.40000109.8C387 N391 C392 L403 C407C387-T389 PolarHBondContact O-N 3.15Å; C387-T389 VanDerWaalsContact O-N 3.13Å; C387-T389 PolarHBondContact SG-N 3.39Å; C387-T389 VanDerWaalsContact SG-N 3.38Å; C387-T389 PolarHBondContact SG-OG1 3.37Å; C387-T389 VanDerWaalsContact SG-OG1 3.42Å; T389-N391 PolarHBondContact O-N 3.21Å; T389-C392 HydrophobicContact CG2-CB 4.35Å; T389-C392 VanDerWaalsContact O-CB 3.25Å; T389-C392 WeakPolarHBondContact O-CB 3.4Å; T389-C392 PolarHBondContact O-N 3.41Å; T389-L403 VanDerWaalsContact OG1-CD2 3.24Å; T389-L403 WeakPolarHBondContact OG1-CD2 3.19Å; T389-C407 VanDerWaalsContact CB-SG 3.58Å; T389-C407 VanDerWaalsContact OG1-CB 3.27Å; T389-C407 WeakPolarHBondContact OG1-CB 3.38Å; T389-C407 PolarHBondContact OG1-SG 3Å
390P70.5Confident67.6Low112 Ų11290 Ų9073%0.72749%0.486SS*.THydrogen-bonded Turntrans-54.6132179.5-23.732.4000111.4E388 C392E388-P390 WeakPolarHBondContact O-CD 3.19Å; P390-C392 PolarHBondContact O-N 3.03Å
391N68.7Low68.9Low170 Ų17087.2 Ų87.291%0.90947%0.468SS*.THydrogen-bonded Turntrans6318.5-178.4-55.6-34.8000116T389T389-N391 PolarHBondContact O-N 3.21Å
392C77Confident70.2Confident23 Ų2386.1 Ų86.116%0.15546%0.459CS..  trans-82.4122170.3-175.50000110.4C387 T389 P390 F394 C404C387-C392 HydrophobicContact CB-CB 4.21Å; T389-C392 HydrophobicContact CG2-CB 4.35Å; T389-C392 VanDerWaalsContact O-CB 3.25Å; T389-C392 WeakPolarHBondContact O-CB 3.4Å; T389-C392 PolarHBondContact O-N 3.41Å; P390-C392 PolarHBondContact O-N 3.03Å; C392-F394 PolarHBondContact O-N 2.88Å; C392-C404 VanDerWaalsContact SG-SG 3.68Å
393P71.1Confident71.6Confident106 Ų10681 Ų8169%0.68843%0.432SS*.  trans-78.8-3.3179.732.8-35.4000113.3
394F75.4Confident73Confident112 Ų11277.6 Ų77.649%0.49142%0.416SS..SBendtrans-96153.6-172-57.9-71.1000113C387 C392 C404C387-F394 WeakPolarHBondContact CB-O 3.44Å; C387-F394 PolarHBondContact N-O 3.36Å; C392-F394 PolarHBondContact O-N 2.88Å; F394-C404 HydrophobicContact CB-CB 3.9Å
395F76.8Confident74Confident88 Ų8875.2 Ų75.239%0.38640%0.4SS..EExtended strand (participates in β ladder)trans-85.1157.5178.9-64.3-85.5000112.4M383 V385 K386 C404M383-F395 WeakPolarHBondContact O-CB 3.42Å; V385-F395 CarbonylContact O-C 3.43Å; V385-F395 WeakPolarHBondContact O-CA 3.47Å; K386-F395 HydrophobicContact CG-CD1 4.47Å; K386-F395 HydrophobicContact CG-CE1 4.27Å; F395-C404 WeakPolarHBondContact O-CB 3.37Å
396M74.8Confident74.4Confident22 Ų2276 Ų7611%0.10840%0.398CS..EExtended strand (participates in β ladder)trans-61.7138.4177.1-70.1171.755.600110.5V385 K386 Q401 P402V385-M396 HydrophobicContact CB-CG 4.48Å; V385-M396 HydrophobicContact CB-SD 3.77Å; V385-M396 HydrophobicContact CG1-SD 3.45Å; V385-M396 WeakPolarHBondContact CG1-SD 3.36Å; V385-M396 WeakPolarHBondContact O-CB 3.46Å; V385-M396 WeakPolarHBondContact O-CG 3.33Å; V385-M396 PolarHBondContact O-N 3.39Å; K386-M396 WeakPolarHBondContact O-CG 3.41Å; M396-Q401 HydrophobicContact CE-CB 4.01Å; M396-Q401 HydrophobicContact CE-CG 3.89Å; M396-P402 HydrophobicContact CE-CB 4.05Å; M396-P402 WeakPolarHBondContact CG-O 3.4Å
397S66.9Low74.8Confident18 Ų1869.1 Ų69.113%0.12637%0.371CS..EExtended strand (participates in β ladder)trans-93.4138.9170.6147.10000108.9N399 T400 Q401 L403S397-N399 PolarHBondContact O-N 2.93Å; S397-N399 VanDerWaalsContact O-N 3.09Å; S397-N399 PolarHBondContact OG-N 3.03Å; S397-T400 WeakPolarHBondContact CB-OG1 3.48Å; S397-T400 PolarHBondContact O-N 3.02Å; S397-T400 PolarHBondContact OG-OG1 3.16Å; S397-Q401 WeakPolarHBondContact O-CG 3.41Å; S397-Q401 PolarHBondContact O-N 3.33Å; S397-L403 PolarHBondContact N-O 3.03Å
398V65.7Low74.8Confident59 Ų5969.5 Ų69.536%0.35837%0.373SS..THydrogen-bonded Turntrans-54.9-31.4179.9-1560000111.6S381 M383S381-V398 WeakPolarHBondContact O-CG2 3.29Å; M383-V398 HydrophobicContact CE-CG1 3.93Å; M383-V398 HydrophobicContact CG-CG2 4.14Å; M383-V398 HydrophobicContact SD-CG1 4.23Å; M383-V398 HydrophobicContact SD-CG2 4.3Å
399N62.9Low74.7Confident119 Ų11966.9 Ų66.964%0.63636%0.361SS*.THydrogen-bonded Turntrans-89.7-12.3-175.1-61-16.4000113.4S397S397-N399 PolarHBondContact O-N 2.93Å; S397-N399 VanDerWaalsContact O-N 3.09Å; S397-N399 PolarHBondContact OG-N 3.03Å
400T74.8Confident74.3Confident27 Ų2772.3 Ų72.317%0.16638%0.376CS..SBendtrans-129.922.1-172.659.60000113S397 L403S397-T400 WeakPolarHBondContact CB-OG1 3.48Å; S397-T400 PolarHBondContact O-N 3.02Å; S397-T400 PolarHBondContact OG-OG1 3.16Å; T400-L403 CarbonylContact C-O 3.55Å; T400-L403 CarbonylContact O-C 3.58Å; T400-L403 WeakPolarHBondContact O-CA 3.3Å; T400-L403 PolarHBondContact O-N 3.39Å; T400-L403 PolarHBondContact OG1-O 3.42Å
401Q70.5Confident74.6Confident104 Ų10474.5 Ų74.549%0.48637%0.37SS..THydrogen-bonded Turntrans-54.2133.8179.6-63.2-176.72.800111M383 M396 S397M383-Q401 PolarHBondContact SD-NE2 3.28Å; M396-Q401 HydrophobicContact CE-CB 4.01Å; M396-Q401 HydrophobicContact CE-CG 3.89Å; S397-Q401 WeakPolarHBondContact O-CG 3.41Å; S397-Q401 PolarHBondContact O-N 3.33Å
402P69.9Low74.7Confident53 Ų5371.8 Ų71.834%0.34435%0.352SS..THydrogen-bonded Turncis-95.222.711.537.7-36.2000115.6E388 M396E388-P402 HydrophobicContact CB-CB 4.43Å; E388-P402 HydrophobicContact CG-CB 3.93Å; E388-P402 HydrophobicContact CG-CG 4.5Å; E388-P402 PolarHBondContact N-O 3Å; E388-P402 WeakPolarHBondContact OE2-CB 3.47Å; E388-P402 WeakPolarHBondContact OE2-CG 3.48Å; M396-P402 HydrophobicContact CE-CB 4.05Å; M396-P402 WeakPolarHBondContact CG-O 3.4Å
403L77.9Confident74.2Confident18 Ų1877.3 Ų77.39%0.09437%0.373CS..SBendtrans-115.5155-171.8-58.6170.4000112.6E388 T389 S397 T400 C407 R411E388-L403 HydrophobicContact CB-CD2 4.42Å; T389-L403 VanDerWaalsContact OG1-CD2 3.24Å; T389-L403 WeakPolarHBondContact OG1-CD2 3.19Å; S397-L403 PolarHBondContact N-O 3.03Å; T400-L403 CarbonylContact C-O 3.55Å; T400-L403 CarbonylContact O-C 3.58Å; T400-L403 WeakPolarHBondContact O-CA 3.3Å; T400-L403 PolarHBondContact O-N 3.39Å; T400-L403 PolarHBondContact OG1-O 3.42Å; L403-C407 HydrophobicContact CB-CB 4.23Å; L403-C407 HydrophobicContact CD2-CB 4.41Å; L403-R411 HydrophobicContact CD1-CB 4.47Å
404C82.7Confident73.7Confident6 Ų678.1 Ų78.14%0.04137%0.372CS..  trans-67.716116475.70000109.6C387 C392 F394 F395 E406 C407 S408C387-C404 HydrophobicContact CB-CB 4.04Å; C387-C404 PolarHBondContact SG-N 2.8Å; C392-C404 VanDerWaalsContact SG-SG 3.68Å; F394-C404 HydrophobicContact CB-CB 3.9Å; F395-C404 WeakPolarHBondContact O-CB 3.37Å; C404-E406 PolarHBondContact O-N 3.46Å; C404-C407 PolarHBondContact O-N 2.86Å; C404-C407 VanDerWaalsContact SG-CB 3.6Å; C404-C407 PolarHBondContact SG-N 3.49Å; C404-C407 VanDerWaalsContact SG-N 3.37Å; C404-C407 PolarHBondContact SG-SG 3.2Å; C404-S408 WeakPolarHBondContact O-CB 3.09Å; C404-S408 PolarHBondContact O-N 3.07Å
405H79.9Confident72.9Confident103 Ų10379.1 Ų79.148%0.47738%0.378SS..Hα-helixtrans-54.8-41.2-176.4-165.4-66.7000112.2S408 E409H405-S408 PolarHBondContact O-N 2.95Å; H405-E409 IonicContact CE1-OE1 3.55Å; H405-E409 PolarHBondContact CE1-OE1 3.28Å; H405-E409 VanDerWaalsContact CE1-OE1 3.27Å; H405-E409 IonicContact ND1-OE1 2.69Å; H405-E409 PolarHBondContact O-N 3.34Å; H405-E409 VanDerWaalsContact O-N 3.08Å
406E77.4Confident71.6Confident97 Ų9781.9 Ų81.945%0.45340%0.397SS..Hα-helixtrans-73.4-38.2-176.9-157.2178.1172.100113C404 R410C404-E406 PolarHBondContact O-N 3.46Å; E406-R410 PolarHBondContact O-N 3.46Å; E406-R410 IonicContact OE1-NH2 3.27Å
407C81.3Confident70.4Confident20 Ų2089.3 Ų89.314%0.13543%0.428CS..Hα-helixtrans-70.1-35.4174.8-73.40000112.2T389 L403 C404 R410 R411T389-C407 VanDerWaalsContact CB-SG 3.58Å; T389-C407 VanDerWaalsContact OG1-CB 3.27Å; T389-C407 WeakPolarHBondContact OG1-CB 3.38Å; T389-C407 PolarHBondContact OG1-SG 3Å; L403-C407 HydrophobicContact CB-CB 4.23Å; L403-C407 HydrophobicContact CD2-CB 4.41Å; C404-C407 PolarHBondContact O-N 2.86Å; C404-C407 VanDerWaalsContact SG-CB 3.6Å; C404-C407 PolarHBondContact SG-N 3.49Å; C404-C407 VanDerWaalsContact SG-N 3.37Å; C404-C407 PolarHBondContact SG-SG 3.2Å; C407-R410 PolarHBondContact O-N 3.09Å; C407-R411 WeakPolarHBondContact O-CB 3.49Å; C407-R411 PolarHBondContact O-N 3.17Å
408S81.6Confident68.9Low17 Ų1796.1 Ų96.112%0.11946%0.462CS..Hα-helixtrans-62.5-48.8174-176.80000111.3C404 H405 R410 R411 Q412C404-S408 WeakPolarHBondContact O-CB 3.09Å; C404-S408 PolarHBondContact O-N 3.07Å; H405-S408 PolarHBondContact O-N 2.95Å; S408-R410 PolarHBondContact O-N 3.46Å; S408-R411 WeakPolarHBondContact O-CB 3.28Å; S408-R411 PolarHBondContact O-N 2.95Å; S408-R411 VanDerWaalsContact O-N 3.15Å; S408-Q412 WeakPolarHBondContact O-CG 3.42Å; S408-Q412 PolarHBondContact O-N 2.91Å
409E79.9Confident67.9Low84 Ų8498.8 Ų98.839%0.39348%0.481SS..Hα-helixtrans-62.1-41.4176.7-79.3-166.3175.900112.8H405 R411 Q412 K413H405-E409 IonicContact CE1-OE1 3.55Å; H405-E409 PolarHBondContact CE1-OE1 3.28Å; H405-E409 VanDerWaalsContact CE1-OE1 3.27Å; H405-E409 IonicContact ND1-OE1 2.69Å; H405-E409 PolarHBondContact O-N 3.34Å; H405-E409 VanDerWaalsContact O-N 3.08Å; E409-R411 VanDerWaalsContact C-N 3.3Å; E409-R411 PolarHBondContact O-N 3.2Å; E409-Q412 PolarHBondContact O-N 3.41Å; E409-K413 WeakPolarHBondContact O-CB 3.34Å; E409-K413 WeakPolarHBondContact O-CG 3.21Å; E409-K413 PolarHBondContact O-N 3.08Å
410R75.6Confident66.5Low160 Ų160103.2 Ų103.260%0.60450%0.495SS*.Hα-helixtrans-62.3-38.7174.6-83.2-175.9-171.1177.87.5111.8E406 C407 S408 N414E406-R410 PolarHBondContact O-N 3.46Å; E406-R410 IonicContact OE1-NH2 3.27Å; C407-R410 PolarHBondContact O-N 3.09Å; S408-R410 PolarHBondContact O-N 3.46Å; R410-N414 WeakPolarHBondContact O-CB 3.16Å; R410-N414 VanDerWaalsContact O-CG 3.28Å; R410-N414 PolarHBondContact O-N 3.33Å; R410-N414 PolarHBondContact O-ND2 3.15Å
411R74.9Confident64.5Low158 Ų158110 Ų11060%0.59653%0.529SS*.Hα-helixtrans-67.4-41.8177.2-158-176.8-143.1-138.46.6111.8L403 C407 S408 E409 N414 Q415L403-R411 HydrophobicContact CD1-CB 4.47Å; C407-R411 WeakPolarHBondContact O-CB 3.49Å; C407-R411 PolarHBondContact O-N 3.17Å; S408-R411 WeakPolarHBondContact O-CB 3.28Å; S408-R411 PolarHBondContact O-N 2.95Å; S408-R411 VanDerWaalsContact O-N 3.15Å; E409-R411 VanDerWaalsContact C-N 3.3Å; E409-R411 PolarHBondContact O-N 3.2Å; R411-N414 CarbonylContact O-C 3.38Å; R411-N414 PolarHBondContact O-N 3.4Å; R411-Q415 WeakPolarHBondContact O-CG 3.42Å; R411-Q415 PolarHBondContact O-N 3.36Å
412Q71.8Confident62.6Low114 Ų114112.7 Ų112.753%0.53355%0.547SS..Hα-helixtrans-65.1-41.7175.6-72.1179.71.600112.1S408 E409 N414 Q415 N416S408-Q412 WeakPolarHBondContact O-CG 3.42Å; S408-Q412 PolarHBondContact O-N 2.91Å; E409-Q412 PolarHBondContact O-N 3.41Å; Q412-N414 VanDerWaalsContact C-N 3.26Å; Q412-N414 PolarHBondContact O-N 3.04Å; Q412-Q415 PolarHBondContact O-N 2.86Å; Q412-N416 PolarHBondContact O-N 3.05Å
413K67.3Low60.8Low138 Ų138115 Ų11560%0.656%0.564SS**Hα-helixtrans-63.5-32.5174.2-75.5174.1-179165.90112.4E409E409-K413 WeakPolarHBondContact O-CB 3.34Å; E409-K413 WeakPolarHBondContact O-CG 3.21Å; E409-K413 PolarHBondContact O-N 3.08Å
414N60Low58.5Low123 Ų123123.9 Ų123.966%0.65860%0.602SS**Hα-helixtrans-80.1-29.5174.9-73.5-14.1000113.3R410 R411 Q412 K417R410-N414 WeakPolarHBondContact O-CB 3.16Å; R410-N414 VanDerWaalsContact O-CG 3.28Å; R410-N414 PolarHBondContact O-N 3.33Å; R410-N414 PolarHBondContact O-ND2 3.15Å; R411-N414 CarbonylContact O-C 3.38Å; R411-N414 PolarHBondContact O-N 3.4Å; Q412-N414 VanDerWaalsContact C-N 3.26Å; Q412-N414 PolarHBondContact O-N 3.04Å; N414-K417 PolarHBondContact O-N 3.31Å
415Q58.2Low56.5Low134 Ų134129.4 Ų129.463%0.62664%0.638SS**Hα-helixtrans-71.7-30.7172-79.5-175.6-11.100112.6R411 Q412 K417R411-Q415 WeakPolarHBondContact O-CG 3.42Å; R411-Q415 PolarHBondContact O-N 3.36Å; Q412-Q415 PolarHBondContact O-N 2.86Å; Q415-K417 PolarHBondContact O-N 3.2Å
416N49.6Very low54Low146 Ų146128 Ų12878%0.78165%0.652SS**THydrogen-bonded Turntrans-77.67174.6-77.2-14000114.2Q412Q412-N416 PolarHBondContact O-N 3.05Å
417K49Very low52.6Low178 Ų178128.9 Ų128.977%0.77467%0.665SS**  trans-11976.3166.6-73.9-173177.9-177.90109.9N414 Q415N414-K417 PolarHBondContact O-N 3.31Å; Q415-K417 PolarHBondContact O-N 3.2Å
418L35.2Very low50.2Low160 Ų160137.2 Ų137.284%0.83870%0.703SS**  trans-115.8137154.5-146.477.7000109.1
419P44.9Very low47.8Very low116 Ų116140.2 Ų140.275%0.75374%0.736SS**PPolyproline II helixtrans-86.5144.2-166.24.114.9000112.4L421P419-L421 PolarHBondContact O-N 3.44Å
420K34.4Very low45.4Very low211 Ų211144.1 Ų144.192%0.91776%0.758SS**PPolyproline II helixtrans-68.2126.8164.8-82.5-177.7176178.30110
421L31.8Very low44Very low169 Ų169142.1 Ų142.189%0.88577%0.766SS**PPolyproline II helixtrans-52.6126169-169.773.8000111.5P419P419-L421 PolarHBondContact O-N 3.44Å
422N31.6Very low41.8Very low162 Ų162137.8 Ų137.887%0.86677%0.77SS**  trans-145.9147.7150.2-102.9-12.2000109.2
423S31.5Very low39.8Very low101 Ų101141.5 Ų141.571%0.70679%0.79SS**  trans-83.8156.5-154.549.40000117.1
424K31Very low37.9Very low204 Ų204138.5 Ų138.589%0.88779%0.791SS**  trans98.6150.4153.7-79.9-172.7177.6-177.20119.3
425P39Very low36.4Very low123 Ų123141.2 Ų141.280%0.79981%0.805SS**  -119.7154.4-120.640.6-31000117.9
426G28.6Very low34.9Very low74 Ų74138.3 Ų138.376%0.76381%0.811SS**  trans76.6164.2144.300000119.7
427P48.2Very low33.8Very low114 Ų114135.8 Ų135.874%0.7481%0.81SS**  cis-136.7-177.7-33.439.9-22000113.6
428E30.3Very low32.8Very low196 Ų196132.4 Ų132.492%0.91681%0.809SS**  trans90.5130154.4-64177.8176.500121.2
429G31.2Very low32.5Very low79 Ų79137 Ų13781%0.81482%0.815SS**  trans125.264.8148.700000118.9
430L29.2Very low31.6Very low166 Ų166134.8 Ų134.887%0.86981%0.813SS**  trans-66.8178.7150.6-83.3166.1000110.2
431P46.3Very low31.4Very low119 Ų119133.9 Ų133.977%0.77381%0.812SS**  cis-138.9-172.1-36.835.2-16.8000111.8
432G28.9Very low31.2Very low66 Ų66130.1 Ų130.168%0.6881%0.806SS**  trans139.989.5143.600000113.4
433M30.1Very low31Very low192 Ų192132.3 Ų132.395%0.94680%0.803SS**  73.711490.3-92.7-173.5152.100115
434A26.9Very low30.9Very low75 Ų75134.5 Ų134.562%0.6280%0.802SS**  96.1114.8116.700000119.2
435L27.7Very low31.3Very low181 Ų181129.9 Ų129.995%0.94879%0.793SS**  71.3131.6123.2-63.8169.3000118.7
436G26.8Very low30.8Very low73 Ų73131.2 Ų131.275%0.75379%0.793SS**  trans144.780.4140.800000115.4
437A27.2Very low30.8Very low92 Ų92131 Ų13176%0.7678%0.784SS**  trans1.6137.2142.900000118.6
438S27.7Very low29.6Very low108 Ų108137.7 Ų137.776%0.75580%0.795SS**  153.3133.4102.2-63.20000112.4
439R28.4Very low29.3Very low256 Ų256135.4 Ų135.497%0.96679%0.789SS**  trans47.6135.2140.7-79.1-177.1164.7-164.4-4.5120.8
440G27.4Very low30.1Very low69 Ų69137.1 Ų137.171%0.71179%0.785SS**  130.790.2129.300000115.1
441E28.8Very low29.9Very low192 Ų192138.5 Ų138.590%0.89779%0.787SS**  trans24.9125.3136.5-71.2179148.900121.2
442A28Very low29.1Very low91 Ų91141.5 Ų141.575%0.75279%0.791SS**  93.4118.9122.100000120.6
443Y27Very low30.3Very low208 Ų208142.8 Ų142.882%0.81679%0.788SS**  trans81.6111.4138.9-111.6-102.7000119.8
444E30.5Very low30.1Very low146 Ų146141 Ų14168%0.68279%0.787SS**  trans31.5155.8135.2-79.8-143.8150.400121.2
445P39.8Very low30.2Very low107 Ų107141.4 Ų141.470%0.69580%0.8SS**  cis-149.8169.235.632.6-7.1000119
446L27.8Very low30.1Very low152 Ų152136.5 Ų136.580%0.79679%0.792SS**  trans30.4132.4146.1-81125.4000124.8
447A27.9Very low31.1Very low70 Ų70138.1 Ų138.158%0.57979%0.79SS**  trans88121.2130.500000121
448W23Very low31.2Very low253 Ų253142.3 Ų142.396%0.95879%0.793SS**  176.9158.396.3-98.8-31.6000114.3
449N23.6Very low31.5Very low149 Ų149142.5 Ų142.580%0.79779%0.794SS**  trans-73.6-157.7176.7-61.9-53.3000112.2
450P48.4Very low31.5Very low114 Ų114135.1 Ų135.174%0.7479%0.788SS**  cis-140.7-174.1-15.621.26.6000115.6
451E25.9Very low32.2Very low195 Ų195137.6 Ų137.691%0.91179%0.792SS**  trans114.5140.1144.7-60.1-154.3130.700121.3
452E28.3Very low32.7Very low182 Ų182133.7 Ų133.785%0.8578%0.783SS**  trans-130.7-170.5-174.5-125.5-162.317600107.8
453P54.5Low32.7Very low94 Ų94135.8 Ų135.861%0.6179%0.787SS**  cis-139.4-178.9-27.235.4-15.2000114.1
454T26.7Very low32.6Very low153 Ų153130.1 Ų130.194%0.93978%0.783SS**  trans176134.6140.420.90000116.7
455G28.1Very low32.8Very low85 Ų85128.7 Ų128.788%0.87679%0.787SS**  trans105.7123.2140.300000122.7
456G26.3Very low32.2Very low77 Ų77128.7 Ų128.779%0.79479%0.789SS**  trans-116.2-160.2168.500000113.8
457P47.3Very low32.3Very low108 Ų108127.4 Ų127.470%0.70179%0.79SS**  cis-141.8176.2-8.244.2-24.7000119
458H29.6Very low32.4Very low179 Ų179133.7 Ų133.783%0.82980%0.804SS**  trans66.3134.7155.7-60.5-49.2000121.9
459S33.8Very low32.8Very low112 Ų112129.6 Ų129.678%0.78380%0.8SS**  cis-165.8153.46.1-71.50000112.7
460A28.1Very low33.2Very low101 Ų101132.7 Ų132.784%0.83581%0.807SS**  trans121.2147.9151.800000119.3
461P43.5Very low32.5Very low122 Ų122132.6 Ų132.679%0.79281%0.809SS**  trans-103.8-174.7-151.543.9-34.8000114.2
462P38.5Very low32.9Very low110 Ų110132.1 Ų132.171%0.71481%0.807SS**  cis-146.4178.227.640.7-17.1000120.3
463T27.3Very low33.3Very low135 Ų135128.9 Ų128.983%0.82880%0.8SS**  trans88.8132.1153-210000120.9
464A26Very low32.7Very low89 Ų89131 Ų13174%0.73681%0.811SS**  trans-27.4167.2174.200000119.9
465P34.9Very low33.5Very low116 Ų116125.3 Ų125.375%0.75378%0.779SS**  cis-147.9179.926.340.9-18.6000119.4
466S26.3Very low35Very low107 Ų107128.1 Ų128.175%0.74877%0.771SS**  trans95.5117.4147.875.50000120.4
467P30.6Very low37.1Very low124 Ų124131.7 Ų131.781%0.80577%0.765SS**  trans-104.7114.2176.736.1-24.3000111.8
468F30.5Very low38.6Very low203 Ų203126.9 Ų126.989%0.8973%0.734SS**  trans-124.190.7155.9-91.7-80.9000107.4
469L30.6Very low41Very low166 Ų166126.4 Ų126.487%0.86973%0.725SS**  trans-165.990.3160.1-91.7-177.5000107.5
470F31.7Very low42.9Very low214 Ų214122.9 Ų122.994%0.93970%0.701SS**  trans-112.7113.4155.5-87.7-75000107.7
471S33.5Very low44.9Very low113 Ų113124.2 Ų124.279%0.7970%0.701SS**  trans-55.2134176.4-49.70000111.2T473S471-T473 PolarHBondContact O-N 3.32Å; S471-T473 VanDerWaalsContact O-N 3.16Å
472E34.1Very low46Very low184 Ų184122.4 Ų122.486%0.8671%0.705SS**  trans-56.9110.8174.6-70173.9129.100111.4
473T37.5Very low47.4Very low114 Ų114118.1 Ų118.170%0.69968%0.677SS**  trans-76.8121.8158.653.40000108.5S471 A475S471-T473 PolarHBondContact O-N 3.32Å; S471-T473 VanDerWaalsContact O-N 3.16Å; T473-A475 PolarHBondContact O-N 3.38Å
474T42.3Very low48.9Very low139 Ų139116.7 Ų116.785%0.85367%0.67SS**  trans-67.154.8175.129.10000113
475A44.1Very low50.9Low33 Ų33116.4 Ų116.427%0.27365%0.652SS.*  trans-96.5119.9164.600000107.8T473 K477 T486T473-A475 PolarHBondContact O-N 3.38Å; A475-K477 PolarHBondContact O-N 2.88Å; A475-T486 HydrophobicContact CB-CG2 4.19Å
476M58.9Low52.6Low144 Ų144114.1 Ų114.171%0.70964%0.636SS**  trans-62.1110.5178.1-60.1-74.8-85.900108.9L487M476-L487 HydrophobicContact CB-CD2 3.32Å; M476-L487 HydrophobicContact CB-CG 3.81Å; M476-L487 HydrophobicContact CG-CD2 4.38Å; M476-L487 WeakPolarHBondContact O-CG 3.24Å; M476-L487 PolarHBondContact O-N 3.14Å
477K70.9Confident55Low152 Ų152111.4 Ų111.466%0.66161%0.613SS**BIsolated β-bridgetrans-73.2151.1-173.8-65.8179.1-179.5172.30111A475 R479A475-K477 PolarHBondContact O-N 2.88Å; K477-R479 PolarHBondContact O-N 3.48Å
478C78.6Confident56.7Low8 Ų8107.1 Ų107.15%0.05458%0.583CS.*  trans-51.1135.3167.3173.60000109.5S480 C483 F485 C495C478-S480 PolarHBondContact O-N 3.04Å; C478-S480 PolarHBondContact SG-N 3.5Å; C478-C483 HydrophobicContact CB-CB 4.01Å; C478-C483 VanDerWaalsContact SG-SG 3.66Å; C478-F485 WeakPolarHBondContact CB-O 3.36Å; C478-F485 PolarHBondContact N-O 3.33Å; C478-C495 HydrophobicContact CB-CB 4.13Å; C478-C495 PolarHBondContact SG-N 3.46Å
479R78.6Confident58.7Low168 Ų168103.2 Ų103.263%0.63458%0.576SS**SBendtrans-61.9-8.4179.3-77.1177.9175.4-174.6-9.1114.7K477 N492 G493 F494K477-R479 PolarHBondContact O-N 3.48Å; R479-N492 WeakPolarHBondContact CD-O 3.3Å; R479-N492 PolarHBondContact NH1-O 2.96Å; R479-G493 WeakPolarHBondContact CG-O 3.3Å; R479-G493 PolarHBondContact N-O 3.32Å; R479-F494 HydrophobicContact CB-CD1 3.88Å; R479-F494 HydrophobicContact CB-CD2 4.43Å; R479-F494 HydrophobicContact CB-CE1 3.41Å; R479-F494 VanDerWaalsContact CB-CE1 3.41Å; R479-F494 HydrophobicContact CB-CE2 4.01Å; R479-F494 HydrophobicContact CB-CG 4.35Å; R479-F494 HydrophobicContact CB-CZ 3.43Å; R479-F494 VanDerWaalsContact CB-CZ 3.43Å; R479-F494 HydrophobicContact CG-CZ 4.42Å
480S75.3Confident60.5Low39 Ų39103.3 Ų103.327%0.27357%0.572SS.*SBendtrans-77.3124.3173.7-173.90000110.6C478 G482 C483 C498C478-S480 PolarHBondContact O-N 3.04Å; C478-S480 PolarHBondContact SG-N 3.5Å; S480-G482 PolarHBondContact O-N 2.92Å; S480-C483 WeakPolarHBondContact O-CB 3.42Å; S480-C483 PolarHBondContact O-N 3.08Å; S480-C483 VanDerWaalsContact O-N 3.14Å; S480-C498 WeakPolarHBondContact CB-SG 3.25Å
481P68.6Low62.6Low128 Ų12894.9 Ų94.983%0.83154%0.535SS*.THydrogen-bonded Turntrans-54134.6176.7-24.834000111.8C483P481-C483 PolarHBondContact O-N 3.18Å
482G67Low64.7Low85 Ų8595.3 Ų95.388%0.87653%0.529SS*.THydrogen-bonded Turntrans72.91.8179.200000115.8S480 P484S480-G482 PolarHBondContact O-N 2.92Å; G482-P484 WeakPolarHBondContact O-CD 3.43Å
483C68.4Low66.5Low19 Ų1986.8 Ų86.813%0.12849%0.491CS..  trans-79.3119.2178.5-174.80000110.5C478 S480 P481 F485C478-C483 HydrophobicContact CB-CB 4.01Å; C478-C483 VanDerWaalsContact SG-SG 3.66Å; S480-C483 WeakPolarHBondContact O-CB 3.42Å; S480-C483 PolarHBondContact O-N 3.08Å; S480-C483 VanDerWaalsContact O-N 3.14Å; P481-C483 PolarHBondContact O-N 3.18Å; C483-F485 PolarHBondContact O-N 2.82Å; C483-F485 VanDerWaalsContact SG-CD2 3.56Å
484P59.2Low68.3Low105 Ų10582.6 Ų82.668%0.68246%0.463SS*.  trans-78.1-6.6-177.832.8-36.1000112.8G482G482-P484 WeakPolarHBondContact O-CD 3.43Å
485F67.1Low70Confident83 Ų8376.4 Ų76.436%0.36443%0.425SS..SBendtrans-79.9147.2-175.4-62-77.2000111.8C478 C483 C495C478-F485 WeakPolarHBondContact CB-O 3.36Å; C478-F485 PolarHBondContact N-O 3.33Å; C483-F485 PolarHBondContact O-N 2.82Å; C483-F485 VanDerWaalsContact SG-CD2 3.56Å; F485-C495 HydrophobicContact CB-CB 3.61Å; F485-C495 HydrophobicContact CG-CB 4.41Å
486T70.4Confident71.6Confident69 Ų6980.3 Ų80.342%0.42344%0.438SS..BIsolated β-bridgetrans-70.2149.8173520000110.9A475A475-T486 HydrophobicContact CB-CG2 4.19Å
487L78.2Confident72.5Confident49 Ų4981.7 Ų81.726%0.25744%0.435SS..PPolyproline II helixtrans-64.2154.1177.367.877.3000112.4M476 V489 G493M476-L487 HydrophobicContact CB-CD2 3.32Å; M476-L487 HydrophobicContact CB-CG 3.81Å; M476-L487 HydrophobicContact CG-CD2 4.38Å; M476-L487 WeakPolarHBondContact O-CG 3.24Å; M476-L487 PolarHBondContact O-N 3.14Å; L487-V489 HydrophobicContact CD1-CG2 3.85Å; L487-G493 VanDerWaalsContact CB-O 3.3Å; L487-G493 WeakPolarHBondContact CB-O 3.46Å
488N64.8Low72.9Confident35 Ų3575.4 Ų75.419%0.18741%0.41CS..BIsolated β-bridgetrans-112.3126.2163.9-176.2-19.9000108.6Q490 H491 G493 F494N488-Q490 VanDerWaalsContact C-N 3.3Å; N488-Q490 PolarHBondContact O-N 3.37Å; N488-Q490 WeakPolarHBondContact OD1-CB 3.12Å; N488-Q490 PolarHBondContact OD1-N 3.05Å; N488-H491 HydrophobicContact CB-CB 4.16Å; N488-H491 PolarHBondContact ND2-CD2 3.34Å; N488-H491 CarbonylContact O-C 3.23Å; N488-H491 PolarHBondContact O-N 2.92Å; N488-H491 VanDerWaalsContact O-N 3.17Å; N488-G493 PolarHBondContact O-N 2.76Å; N488-F494 WeakPolarHBondContact CB-O 3.29Å; N488-F494 PolarHBondContact N-O 2.94Å
489V72.8Confident73.2Confident120 Ų12077 Ų7773%0.72742%0.416SS*.G310 helixtrans-66.8-33.5-179-1730000111.2L487 H491 N492L487-V489 HydrophobicContact CD1-CG2 3.85Å; V489-H491 PolarHBondContact O-N 2.89Å; V489-N492 PolarHBondContact O-N 2.72Å
490Q69.6Low73.2Confident169 Ų16972.2 Ų72.279%0.7940%0.404SS*.G310 helixtrans-70.6-17.5175.8-62.7176.1-18.900112.7N488N488-Q490 VanDerWaalsContact C-N 3.3Å; N488-Q490 PolarHBondContact O-N 3.37Å; N488-Q490 WeakPolarHBondContact OD1-CB 3.12Å; N488-Q490 PolarHBondContact OD1-N 3.05Å
491H74.2Confident73.3Confident36 Ų3672.7 Ų72.717%0.16741%0.41CS..G310 helixtrans-110.235.7177.9-61.7-41.5000112.2N488 V489 G493 F494 H499N488-H491 HydrophobicContact CB-CB 4.16Å; N488-H491 PolarHBondContact ND2-CD2 3.34Å; N488-H491 CarbonylContact O-C 3.23Å; N488-H491 PolarHBondContact O-N 2.92Å; N488-H491 VanDerWaalsContact O-N 3.17Å; V489-H491 PolarHBondContact O-N 2.89Å; H491-G493 PolarHBondContact O-N 3.43Å; H491-G493 VanDerWaalsContact O-N 3.09Å; H491-F494 WeakPolarHBondContact CB-O 3.48Å; H491-F494 WeakPolarHBondContact O-CB 3.19Å; H491-F494 PolarHBondContact O-N 3.28Å; H491-H499 HydrophobicContact CB-CB 3.91Å; H491-H499 AromaticContact CG-CG 3.82Å; H491-H499 AromaticContact ND1-CD2 3.92Å; H491-H499 AromaticContact ND1-CE1 3.6Å; H491-H499 AromaticContact ND1-CG 3.82Å; H491-H499 AromaticContact ND1-ND1 3.65Å; H491-H499 AromaticContact ND1-NE2 3.79Å
492N77.4Confident73.6Confident122 Ų12273.9 Ų73.965%0.65240%0.398SS*.THydrogen-bonded Turntrans52.434.6176.1-72.6-20.1000114.3R479 V489R479-N492 WeakPolarHBondContact CD-O 3.3Å; R479-N492 PolarHBondContact NH1-O 2.96Å; V489-N492 PolarHBondContact O-N 2.72Å
493G72.1Confident73.7Confident6 Ų675.1 Ų75.16%0.06238%0.381CS..THydrogen-bonded Turntrans85.88.1178.800000114.8R479 L487 N488 H491R479-G493 WeakPolarHBondContact CG-O 3.3Å; R479-G493 PolarHBondContact N-O 3.32Å; L487-G493 VanDerWaalsContact CB-O 3.3Å; L487-G493 WeakPolarHBondContact CB-O 3.46Å; N488-G493 PolarHBondContact O-N 2.76Å; H491-G493 PolarHBondContact O-N 3.43Å; H491-G493 VanDerWaalsContact O-N 3.09Å
494F75.6Confident73.3Confident25 Ų2580.2 Ų80.211%0.1141%0.406CS..BIsolated β-bridgetrans-97.7152.7171.2-65.2-85.2000110.6R479 N488 H491 C498 H499R479-F494 HydrophobicContact CB-CD1 3.88Å; R479-F494 HydrophobicContact CB-CD2 4.43Å; R479-F494 HydrophobicContact CB-CE1 3.41Å; R479-F494 VanDerWaalsContact CB-CE1 3.41Å; R479-F494 HydrophobicContact CB-CE2 4.01Å; R479-F494 HydrophobicContact CB-CG 4.35Å; R479-F494 HydrophobicContact CB-CZ 3.43Å; R479-F494 VanDerWaalsContact CB-CZ 3.43Å; R479-F494 HydrophobicContact CG-CZ 4.42Å; N488-F494 WeakPolarHBondContact CB-O 3.29Å; N488-F494 PolarHBondContact N-O 2.94Å; H491-F494 WeakPolarHBondContact CB-O 3.48Å; H491-F494 WeakPolarHBondContact O-CB 3.19Å; H491-F494 PolarHBondContact O-N 3.28Å; F494-C498 HydrophobicContact CB-CB 4.19Å; F494-C498 HydrophobicContact CD1-CB 4.03Å; F494-H499 HydrophobicContact CB-CB 4.16Å
495C78Confident73Confident10 Ų1082.7 Ų82.77%0.06841%0.408CS..  trans-72.3158.5164.171.50000109.3C478 F485 R497 C498 H499C478-C495 HydrophobicContact CB-CB 4.13Å; C478-C495 PolarHBondContact SG-N 3.46Å; F485-C495 HydrophobicContact CB-CB 3.61Å; F485-C495 HydrophobicContact CG-CB 4.41Å; C495-R497 PolarHBondContact O-N 3.03Å; C495-R497 VanDerWaalsContact O-N 3.14Å; C495-C498 PolarHBondContact O-N 3.23Å; C495-C498 PolarHBondContact SG-N 3.07Å; C495-C498 PolarHBondContact SG-SG 2.58Å; C495-H499 WeakPolarHBondContact O-CB 3.41Å; C495-H499 PolarHBondContact O-N 3.35Å
496E78.5Confident72.1Confident115 Ų11581.8 Ų81.854%0.53742%0.416SS..Hα-helixtrans-51.4-40.7-178-170175.2-174.700112.4H499 N500E496-H499 PolarHBondContact O-N 3.02Å; E496-N500 WeakPolarHBondContact O-CB 3.12Å; E496-N500 PolarHBondContact O-N 3.18Å; E496-N500 PolarHBondContact O-ND2 2.88Å
497R78.3Confident70.6Confident172 Ų17283.1 Ų83.165%0.64943%0.428SS*.Hα-helixtrans-61.8-49.8175.6-172.1179179-172.40.9113.1C495 H499 N500 A501C495-R497 PolarHBondContact O-N 3.03Å; C495-R497 VanDerWaalsContact O-N 3.14Å; R497-H499 VanDerWaalsContact C-N 3.33Å; R497-N500 PolarHBondContact O-N 2.85Å; R497-A501 WeakPolarHBondContact O-CB 3.35Å; R497-A501 PolarHBondContact O-N 3.39Å
498C78.3Confident68.9Low21 Ų2189.3 Ų89.314%0.14246%0.455CS..Hα-helixtrans-70.8-31.1-179.3-68.60000112.2S480 F494 C495 R502S480-C498 WeakPolarHBondContact CB-SG 3.25Å; F494-C498 HydrophobicContact CB-CB 4.19Å; F494-C498 HydrophobicContact CD1-CB 4.03Å; C495-C498 PolarHBondContact O-N 3.23Å; C495-C498 PolarHBondContact SG-N 3.07Å; C495-C498 PolarHBondContact SG-SG 2.58Å; C498-R502 WeakPolarHBondContact O-CG 3.49Å; C498-R502 PolarHBondContact O-N 2.94Å
499H84.9Confident67.5Low40 Ų4091.8 Ų91.819%0.18548%0.481CS..Hα-helixtrans-65.8-48.7174.3178.5-96.4000111.4H491 F494 C495 E496 R497 R502 Q503H491-H499 HydrophobicContact CB-CB 3.91Å; H491-H499 AromaticContact CG-CG 3.82Å; H491-H499 AromaticContact ND1-CD2 3.92Å; H491-H499 AromaticContact ND1-CE1 3.6Å; H491-H499 AromaticContact ND1-CG 3.82Å; H491-H499 AromaticContact ND1-ND1 3.65Å; H491-H499 AromaticContact ND1-NE2 3.79Å; F494-H499 HydrophobicContact CB-CB 4.16Å; C495-H499 WeakPolarHBondContact O-CB 3.41Å; C495-H499 PolarHBondContact O-N 3.35Å; E496-H499 PolarHBondContact O-N 3.02Å; R497-H499 VanDerWaalsContact C-N 3.33Å; H499-R502 PolarHBondContact O-N 3.37Å; H499-R502 VanDerWaalsContact O-N 3.17Å; H499-Q503 PolarHBondContact CE1-NE2 3.4Å; H499-Q503 PolarHBondContact O-N 3.15Å
500N79.6Confident65.8Low69 Ų6990.5 Ų90.537%0.36948%0.483SS..Hα-helixtrans-68-37.5-179.7-65.6-12.4000112.1E496 R497 R502 Q503 L504E496-N500 WeakPolarHBondContact O-CB 3.12Å; E496-N500 PolarHBondContact O-N 3.18Å; E496-N500 PolarHBondContact O-ND2 2.88Å; R497-N500 PolarHBondContact O-N 2.85Å; N500-R502 VanDerWaalsContact C-N 3.27Å; N500-R502 PolarHBondContact O-N 2.93Å; N500-Q503 PolarHBondContact O-N 2.99Å; N500-L504 WeakPolarHBondContact O-CG 3.2Å; N500-L504 PolarHBondContact O-N 3.3Å
501A77.1Confident64.2Low48 Ų4889.6 Ų89.640%0.39748%0.483SS..Hα-helixtrans-59.5-37.9172.400000112.1R497 H505R497-A501 WeakPolarHBondContact O-CB 3.35Å; R497-A501 PolarHBondContact O-N 3.39Å; A501-H505 PolarHBondContact O-CD2 2.62Å; A501-H505 VanDerWaalsContact O-CD2 3.24Å; A501-H505 PolarHBondContact O-N 3.49Å
502R74.9Confident62.4Low154 Ų15496.5 Ų96.558%0.58152%0.515SS*.Hα-helixtrans-72.6-34.2175.7-72.5-175.291.9-179.77.4113.1C498 H499 N500 L504 H505 A506C498-R502 WeakPolarHBondContact O-CG 3.49Å; C498-R502 PolarHBondContact O-N 2.94Å; H499-R502 PolarHBondContact O-N 3.37Å; H499-R502 VanDerWaalsContact O-N 3.17Å; N500-R502 VanDerWaalsContact C-N 3.27Å; N500-R502 PolarHBondContact O-N 2.93Å; R502-L504 VanDerWaalsContact C-N 3.32Å; R502-H505 PolarHBondContact O-N 3.29Å; R502-A506 PolarHBondContact O-N 3.47Å
503Q69.1Low60.7Low110 Ų11097 Ų9751%0.51452%0.523SS..Hα-helixtrans-64.9-38.4174.4-71.5-165.3-6.100111.8H499 N500 H505 A506 S507H499-Q503 PolarHBondContact CE1-NE2 3.4Å; H499-Q503 PolarHBondContact O-N 3.15Å; N500-Q503 PolarHBondContact O-N 2.99Å; Q503-H505 VanDerWaalsContact C-N 3.32Å; Q503-H505 PolarHBondContact O-N 3.38Å; Q503-A506 PolarHBondContact O-N 2.87Å; Q503-S507 PolarHBondContact O-N 2.66Å; Q503-S507 PolarHBondContact O-OG 3.26Å; Q503-S507 VanDerWaalsContact O-OG 3.05Å
504L59.5Low58.9Low126 Ų126108 Ų10866%0.6656%0.562SS**Hα-helixtrans-65.8-33.2176-72.4162.1000112.8N500 R502N500-L504 WeakPolarHBondContact O-CG 3.2Å; N500-L504 PolarHBondContact O-N 3.3Å; R502-L504 VanDerWaalsContact C-N 3.32Å
505H52.5Low57.4Low157 Ų157116.3 Ų116.373%0.72760%0.601SS**Hα-helixtrans-76.9-23.6173.5-81-68.6000114A501 R502 Q503A501-H505 PolarHBondContact O-CD2 2.62Å; A501-H505 VanDerWaalsContact O-CD2 3.24Å; A501-H505 PolarHBondContact O-N 3.49Å; R502-H505 PolarHBondContact O-N 3.29Å; Q503-H505 VanDerWaalsContact C-N 3.32Å; Q503-H505 PolarHBondContact O-N 3.38Å
506A47.6Very low55.7Low65 Ų65123.3 Ų123.354%0.53764%0.637SS.*Hα-helixtrans-75.6-25.8175.700000112.7R502 Q503 H508R502-A506 PolarHBondContact O-N 3.47Å; Q503-A506 PolarHBondContact O-N 2.87Å; A506-H508 VanDerWaalsContact C-N 3.26Å; A506-H508 PolarHBondContact O-N 2.83Å
507S40.4Very low54.2Low96 Ų96124 Ų12467%0.67165%0.645SS**THydrogen-bonded Turntrans-73.5-9.8-179.7-51.60000114.8Q503Q503-S507 PolarHBondContact O-N 2.66Å; Q503-S507 PolarHBondContact O-OG 3.26Å; Q503-S507 VanDerWaalsContact O-OG 3.05Å
508H42.4Very low53.1Low179 Ų179121.4 Ų121.483%0.82965%0.65SS**THydrogen-bonded Turntrans-107.57.4-179.5-81.4-73.4000114.3A506A506-H508 VanDerWaalsContact C-N 3.26Å; A506-H508 PolarHBondContact O-N 2.83Å
509A35.3Very low52.3Low87 Ų87121.6 Ų121.672%0.71966%0.656SS**SBendtrans-132.625.4-174.700000114.8
510A36.3Very low51.7Low93 Ų93124.9 Ų124.977%0.76967%0.669SS**  trans-139.356.2174.600000111.4
511D36.9Very low51.7Low151 Ų151121.6 Ų121.681%0.80765%0.652SS**  trans-11987.5160.6-1502.2000107.2
512H35.2Very low51.9Low180 Ų180126.4 Ų126.483%0.83367%0.666SS**SBendtrans-178.4129.5147.7-90.4-53.7000110
513T41.8Very low52.1Low132 Ų132122 Ų12281%0.8166%0.663SS**  trans76.899.8163.910.20000118.3
514R35.7Very low52.6Low237 Ų237119.4 Ų119.489%0.89466%0.656SS**  -167.5107126.4-99.1165.4-155.2-162.46.6110.8L516R514-L516 PolarHBondContact O-N 3.38Å
515H42.8Very low53.6Low200 Ų200119.7 Ų119.793%0.92666%0.658SS**  trans-56.7125.4164.8-122.7-91.6000109.5
516L42.7Very low54.7Low158 Ų158118.8 Ų118.883%0.82765%0.654SS**  trans-104.6120.8171.3-90.9150000108.8R514R514-L516 PolarHBondContact O-N 3.38Å
517D47.8Very low56.1Low129 Ų129121.3 Ų121.369%0.6966%0.658SS**  trans-78.5119.8179.6-150-4.2000109.2G519D517-G519 PolarHBondContact O-N 3.5Å
518P54.7Low57.7Low117 Ų117118.7 Ų118.776%0.7664%0.638SS**THydrogen-bonded Turntrans-69-1-167.2-19.531.3000116.3
519G61.1Low58.9Low26 Ų26117.3 Ų117.327%0.26864%0.643SS.*THydrogen-bonded Turntrans-95.5-8.7-168.100000116.9D517 D527 V528D517-G519 PolarHBondContact O-N 3.5Å; G519-D527 CarbonylContact O-C 3.52Å; G519-D527 VanDerWaalsContact O-CA 3.3Å; G519-D527 WeakPolarHBondContact O-CA 3.39Å; G519-V528 PolarHBondContact O-N 2.61Å; G519-V528 VanDerWaalsContact O-O 3.1Å
520K73.3Confident60.3Low108 Ų108123.8 Ų123.847%0.4765%0.648SS.*BIsolated β-bridgetrans-116.7138.6-169.7-70.2-179-179.2175.50114.3Q526 D527K520-Q526 WeakPolarHBondContact CA-O 3.5Å; K520-D527 VanDerWaalsContact CE-CG 3.44Å; K520-D527 WeakPolarHBondContact CE-OD1 3.24Å; K520-D527 WeakPolarHBondContact CE-OD2 3.3Å; K520-D527 WeakPolarHBondContact CG-OD1 3.38Å
521C79.9Confident62.2Low0 Ų0122 Ų1220%063%0.628CS.*  trans-73.2126.8173.2175.90000110.8A523 C524 L525 Q526 V528 G534 C536C521-A523 VanDerWaalsContact C-N 3.26Å; C521-A523 PolarHBondContact O-N 2.92Å; C521-A523 PolarHBondContact SG-N 3.1Å; C521-C524 VanDerWaalsContact CB-SG 3.52Å; C521-L525 WeakPolarHBondContact O-CA 3.36Å; C521-L525 PolarHBondContact O-N 3.11Å; C521-Q526 PolarHBondContact N-O 3.38Å; C521-V528 HydrophobicContact CB-CG2 3.86Å; C521-G534 CarbonylContact C-O 3.5Å; C521-G534 WeakPolarHBondContact CA-O 3.39Å; C521-C536 HydrophobicContact CB-CB 3.93Å; C521-C536 PolarHBondContact SG-N 3.03Å
522Q80.6Confident63.4Low149 Ų149122 Ų12270%0.69662%0.621SS**THydrogen-bonded Turntrans-67.6-22.3-180-166.9172.6-9.300113.7G534Q522-G534 WeakPolarHBondContact CB-O 3.39Å; Q522-G534 PolarHBondContact N-O 3.43Å
523A77.9Confident65.2Low63 Ų63120.1 Ų120.152%0.52162%0.618SS.*THydrogen-bonded Turntrans-88.8-36.4-17900000113.7C521 I535 C539C521-A523 VanDerWaalsContact C-N 3.26Å; C521-A523 PolarHBondContact O-N 2.92Å; C521-A523 PolarHBondContact SG-N 3.1Å; A523-I535 HydrophobicContact CB-CG2 4.09Å; A523-C539 HydrophobicContact CB-CB 3.93Å
524C80.4Confident66.8Low54 Ų54114.9 Ų114.937%0.36559%0.589SS.*THydrogen-bonded Turntrans-116.8-3.6-179.3670000114.6C521 Q526C521-C524 VanDerWaalsContact CB-SG 3.52Å; C524-Q526 PolarHBondContact O-N 2.82Å
525L79.6Confident68.9Low133 Ų133106.1 Ų106.170%0.69656%0.56SS**  trans57.714.7179.2-56.9174.3000115.3C521C521-L525 WeakPolarHBondContact O-CA 3.36Å; C521-L525 PolarHBondContact O-N 3.11Å
526Q75.6Confident70.8Confident138 Ų13896.9 Ų96.965%0.64552%0.518SS*.  trans-88.4148.4176.5-64.4-153.5-14.600112.2K520 C521 C524 V528K520-Q526 WeakPolarHBondContact CA-O 3.5Å; C521-Q526 PolarHBondContact N-O 3.38Å; C524-Q526 PolarHBondContact O-N 2.82Å; Q526-V528 PolarHBondContact O-N 3.23Å
527D77.4Confident72.4Confident118 Ų11893.4 Ų93.463%0.63151%0.507SS*.BIsolated β-bridgetrans-65.2125172.2-71.5-55.8000110.4G519 K520G519-D527 CarbonylContact O-C 3.52Å; G519-D527 VanDerWaalsContact O-CA 3.3Å; G519-D527 WeakPolarHBondContact O-CA 3.39Å; K520-D527 VanDerWaalsContact CE-CG 3.44Å; K520-D527 WeakPolarHBondContact CE-OD1 3.24Å; K520-D527 WeakPolarHBondContact CE-OD2 3.3Å; K520-D527 WeakPolarHBondContact CG-OD1 3.38Å
528V74.6Confident73.8Confident41 Ų4191.4 Ų91.425%0.24850%0.499CS..  trans-140.4139.2-176.6-80.30000110.3G519 C521 Q526 R530 T531 C536G519-V528 PolarHBondContact O-N 2.61Å; G519-V528 VanDerWaalsContact O-O 3.1Å; C521-V528 HydrophobicContact CB-CG2 3.86Å; Q526-V528 PolarHBondContact O-N 3.23Å; V528-R530 VanDerWaalsContact C-N 3.26Å; V528-R530 PolarHBondContact O-N 2.86Å; V528-T531 HydrophobicContact CG2-CG2 3.57Å; V528-C536 HydrophobicContact CB-CB 4.32Å; V528-C536 HydrophobicContact CG1-CB 3.84Å; V528-C536 HydrophobicContact CG2-CB 4.11Å
529T67.7Low74.9Confident150 Ų15086.7 Ų86.792%0.9247%0.469SS*.SBendtrans-72.3-17.4-173.9530000113.9
530R64.7Low75.8Confident222 Ų22290.6 Ų90.684%0.83848%0.478SS*.  trans-150.3135.3173.7-68.2-171.3178.7-177.5-1.2111.1V528V528-R530 VanDerWaalsContact C-N 3.26Å; V528-R530 PolarHBondContact O-N 2.86Å
531T76.1Confident75.7Confident57 Ų5792.6 Ų92.635%0.3549%0.487SS..  trans-118.2150.6171.3590000110V528V528-T531 HydrophobicContact CG2-CG2 3.57Å
532F62.1Low75.1Confident149 Ų149100.6 Ų100.665%0.65452%0.517SS*.BIsolated β-bridgetrans-118.9116.9169.6-172.2-96.4000107.3G534 I535F532-G534 PolarHBondContact O-N 3.46Å; F532-I535 PolarHBondContact N-O 3.41Å; F532-I535 PolarHBondContact O-N 3.41Å
533N73.3Confident74.1Confident142 Ų14298.2 Ų98.276%0.75951%0.513SS*.THydrogen-bonded Turntrans48.441.9-169-68.5-11000113.5I535N533-I535 VanDerWaalsContact C-N 3.28Å; N533-I535 PolarHBondContact O-N 3.38Å
534G74.9Confident73.1Confident21 Ų2199.7 Ų99.722%0.21652%0.516CS..THydrogen-bonded Turntrans77.90.9179.500000115.3C521 Q522 F532C521-G534 CarbonylContact C-O 3.5Å; C521-G534 WeakPolarHBondContact CA-O 3.39Å; Q522-G534 WeakPolarHBondContact CB-O 3.39Å; Q522-G534 PolarHBondContact N-O 3.43Å; F532-G534 PolarHBondContact O-N 3.46Å
535I79.4Confident71.5Confident54 Ų54100.5 Ų100.528%0.27753%0.527SS..BIsolated β-bridgetrans-115.7141.4-178-55.7175000110.5A523 F532 N533 C539A523-I535 HydrophobicContact CB-CG2 4.09Å; F532-I535 PolarHBondContact N-O 3.41Å; F532-I535 PolarHBondContact O-N 3.41Å; N533-I535 VanDerWaalsContact C-N 3.28Å; N533-I535 PolarHBondContact O-N 3.38Å; I535-C539 HydrophobicContact CG2-CB 3.43Å; I535-C539 VanDerWaalsContact CG2-CB 3.43Å
536C82.4Confident69.8Low6 Ų6101.5 Ų101.54%0.04153%0.528CS..  trans-78.1156.1176.676.10000112C521 V528 T538 C539 F540C521-C536 HydrophobicContact CB-CB 3.93Å; C521-C536 PolarHBondContact SG-N 3.03Å; V528-C536 HydrophobicContact CB-CB 4.32Å; V528-C536 HydrophobicContact CG1-CB 3.84Å; V528-C536 HydrophobicContact CG2-CB 4.11Å; C536-T538 PolarHBondContact O-N 3.25Å; C536-T538 VanDerWaalsContact O-N 3.12Å; C536-C539 PolarHBondContact O-N 3.18Å; C536-C539 PolarHBondContact SG-N 3.34Å; C536-F540 PolarHBondContact O-N 3.29Å
537S77.4Confident68Low85 Ų8599.4 Ų99.459%0.59453%0.534SS*.Hα-helixtrans-55.8-32.3-178.255.60000113.6K541S537-K541 WeakPolarHBondContact O-CG 3.5Å; S537-K541 PolarHBondContact O-N 3.05Å; S537-K541 VanDerWaalsContact O-N 3.11Å
538T76.8Confident66.3Low86 Ų8698.6 Ų98.653%0.52854%0.537SS..Hα-helixtrans-70.4-42.4177.2-38.80000112.2C536 K541 R542C536-T538 PolarHBondContact O-N 3.25Å; C536-T538 VanDerWaalsContact O-N 3.12Å; T538-K541 PolarHBondContact O-N 2.72Å; T538-R542 PolarHBondContact O-N 2.84Å
539C78.7Confident64.3Low19 Ų19102 Ų10213%0.12856%0.563CS.*Hα-helixtrans-70.6-36.9176.5-69.90000111.3A523 I535 C536 K541 R542 T543A523-C539 HydrophobicContact CB-CB 3.93Å; I535-C539 HydrophobicContact CG2-CB 3.43Å; I535-C539 VanDerWaalsContact CG2-CB 3.43Å; C536-C539 PolarHBondContact O-N 3.18Å; C536-C539 PolarHBondContact SG-N 3.34Å; C539-K541 VanDerWaalsContact C-N 3.33Å; C539-K541 PolarHBondContact O-N 3.19Å; C539-R542 PolarHBondContact O-N 3.21Å; C539-T543 PolarHBondContact O-N 3.48Å; C539-T543 VanDerWaalsContact O-N 3.08Å; C539-T543 PolarHBondContact O-OG1 3.46Å
540F79.3Confident62.8Low107 Ų10799.6 Ų99.647%0.46955%0.552SS.*Hα-helixtrans-60.9-41.3175.2-170.4-97.1000112.2C536 T543 T544C536-F540 PolarHBondContact O-N 3.29Å; F540-T543 PolarHBondContact O-N 3.26Å; F540-T544 PolarHBondContact O-N 3.19Å; F540-T544 PolarHBondContact O-OG1 2.83Å
541K71.1Confident61.5Low151 Ų15196.4 Ų96.466%0.65755%0.551SS**Hα-helixtrans-68.2-32.3176.3-75179.3179.8-175.30113.8S537 T538 C539 T544 A545S537-K541 WeakPolarHBondContact O-CG 3.5Å; S537-K541 PolarHBondContact O-N 3.05Å; S537-K541 VanDerWaalsContact O-N 3.11Å; T538-K541 PolarHBondContact O-N 2.72Å; C539-K541 VanDerWaalsContact C-N 3.33Å; C539-K541 PolarHBondContact O-N 3.19Å; K541-T544 WeakPolarHBondContact CA-OG1 3.41Å; K541-T544 PolarHBondContact O-OG1 3.36Å; K541-A545 WeakPolarHBondContact O-CB 3.24Å; K541-A545 PolarHBondContact O-N 3.1Å
542R67.3Low59.4Low167 Ų16798.6 Ų98.663%0.6357%0.569SS**Hα-helixtrans-68.9-42.4173.6-76.2-175.2-172.1171.42111.9T538 C539 T544 A545 E546T538-R542 PolarHBondContact O-N 2.84Å; C539-R542 PolarHBondContact O-N 3.21Å; R542-T544 PolarHBondContact O-N 3.02Å; R542-A545 PolarHBondContact O-N 3.28Å; R542-A545 VanDerWaalsContact O-N 3.17Å; R542-E546 PolarHBondContact O-N 3.43Å
543T60.3Low58Low100 Ų10097.8 Ų97.861%0.61358%0.576SS**Hα-helixtrans-64.9-27.3-179.2-39.10000112.6C539 F540C539-T543 PolarHBondContact O-N 3.48Å; C539-T543 VanDerWaalsContact O-N 3.08Å; C539-T543 PolarHBondContact O-OG1 3.46Å; F540-T543 PolarHBondContact O-N 3.26Å
544T55.3Low56.1Low94 Ų9495.8 Ų95.858%0.57757%0.573SS**Hα-helixtrans-88.8-20.8177.4370000113.6F540 K541 R542F540-T544 PolarHBondContact O-N 3.19Å; F540-T544 PolarHBondContact O-OG1 2.83Å; K541-T544 WeakPolarHBondContact CA-OG1 3.41Å; K541-T544 PolarHBondContact O-OG1 3.36Å; R542-T544 PolarHBondContact O-N 3.02Å
545A47.8Very low53.9Low71 Ų71103 Ų10359%0.58761%0.606SS**Hα-helixtrans-88-22.2178.500000113.7K541 R542K541-A545 WeakPolarHBondContact O-CB 3.24Å; K541-A545 PolarHBondContact O-N 3.1Å; R542-A545 PolarHBondContact O-N 3.28Å; R542-A545 VanDerWaalsContact O-N 3.17Å
546E43.3Very low51.9Low154 Ų154105.9 Ų105.972%0.7263%0.628SS**SBendtrans-93.64.7-176.8-72.7179.8175.100114.9R542 S548R542-E546 PolarHBondContact O-N 3.43Å; E546-S548 PolarHBondContact O-N 3.28Å; E546-S548 VanDerWaalsContact O-N 3.13Å
547A38.8Very low50.2Low94 Ų94111.4 Ų111.478%0.77766%0.664SS**SBendtrans-7813.3176.500000114.5
548S40.5Very low47.7Very low100 Ų100112.9 Ų112.970%0.69967%0.674SS**SBendtrans-136.964.3179.257.20000112.9E546E546-S548 PolarHBondContact O-N 3.28Å; E546-S548 VanDerWaalsContact O-N 3.13Å
549S32.1Very low45.3Very low112 Ų112113.7 Ų113.778%0.78368%0.682SS**  trans172.9124.614436.40000109.2
550S38Very low42.8Very low100 Ų100120.5 Ų120.570%0.69971%0.712SS**  trans-55.5153175.250.10000112.7
551L35.9Very low40.4Very low156 Ų156123.1 Ų123.182%0.81773%0.726SS**  174.6156.8115.8-93.8143.2000115.5
552S32.6Very low38.1Very low102 Ų102126.5 Ų126.571%0.71373%0.734SS**  trans-43.3159.5165.543.80000116.9
553T31.7Very low36.2Very low133 Ų133123.5 Ų123.582%0.81674%0.739SS**  trans-60.9123.2-173.69.70000117.4
554S34.5Very low34.7Very low100 Ų100128 Ų12870%0.69975%0.75SS**  42128.3126.962.20000123.6
555L29.2Very low33.4Very low172 Ų172129.4 Ų129.490%0.90176%0.764SS**  -171.7158.4122.2-90.9169.8000110.5
556P36.7Very low32.3Very low115 Ų115133.2 Ų133.275%0.74777%0.774SS**  trans-117.6-161.1-147.649.8-38.5000114.3
557P45.9Very low32.2Very low122 Ų122130.1 Ų130.179%0.79277%0.767SS**  -121.7157.7-110.732.5-11000115.7
558S26.6Very low31.7Very low115 Ų115130.5 Ų130.580%0.80476%0.764SS**  trans-159118.9156.4670000115.1
559C25.9Very low31.2Very low103 Ų103133.4 Ų133.470%0.69677%0.767SS**  trans49.4127.9139.3-99.70000124.4
560H26.6Very low31Very low163 Ų163135 Ų13576%0.75577%0.765SS**  trans66.7143.7146.3-61-50.6000117.3
561Q27.3Very low30.4Very low162 Ų162135.5 Ų135.576%0.75776%0.764SS**  cis-163.4144.18-127.6176.924.400108.1
562R24.4Very low30Very low222 Ų222139.3 Ų139.384%0.83877%0.768SS**  trans40124.4142.1-83.1-177.7-177.9-157.8-0.1122.6
563S27.5Very low29.7Very low103 Ų103139.6 Ų139.672%0.7277%0.77SS**  106.8102.1120.3-740000119.9
564K27.3Very low30Very low194 Ų194138.9 Ų138.984%0.84377%0.767SS**  19.6127.4126.6-53.8-164.8177.6-169.70117.4
565S28.6Very low29.8Very low125 Ų125139.1 Ų139.187%0.87477%0.769SS**  168.6145.485.234.30000112.1
566D24.4Very low30.5Very low150 Ų150136.9 Ų136.980%0.80277%0.765SS**  trans-94.8-175.6168.9-154.320.3000108.3
567P41.7Very low30Very low90 Ų90140.2 Ų140.258%0.58477%0.77SS**  cis-130.5-174.5-40.319.83.7000113.5
568S28.5Very low29.3Very low101 Ų101139.7 Ų139.771%0.70677%0.77SS**  trans74.6139148.731.70000119
569Q29.5Very low29.2Very low162 Ų162138.6 Ų138.676%0.75776%0.761SS**  cis179.216527.9-111.4-95.821.600111.4
570L27.7Very low29.3Very low144 Ų144141.5 Ų141.575%0.75476%0.764SS**  trans92.9110.3153.9-64.9166.8000123.4
571V26Very low29.4Very low111 Ų111144.4 Ų144.467%0.67377%0.768SS**  113.4127.5110.6167.20000121.6
572R26.5Very low29.5Very low236 Ų236141.7 Ų141.789%0.89177%0.774SS**  trans86.4107.6149.3-96.7166.4-177.6-175.3-0121.4
573S27.1Very low29.6Very low109 Ų109135 Ų13576%0.76277%0.773SS**  trans-60.8171.8142.8-8.70000111.6
574P37.5Very low29.9Very low117 Ų117137.5 Ų137.576%0.7678%0.779SS**  cis-141.1173.832.434.6-11.1000117.6
575S30.9Very low30Very low105 Ų105136.3 Ų136.373%0.73478%0.782SS**  trans-50.9165.1167.752.20000115.1
576P43.3Very low30.2Very low126 Ų126134.7 Ų134.782%0.81878%0.776SS**  -151.5169.18736.2-15.4000117.3
577H27.7Very low31.6Very low184 Ų184133.5 Ų133.585%0.85278%0.776SS**  trans-66.2153.9169.8-62.8-79.7000113.9
578S29.8Very low31Very low112 Ų112134.4 Ų134.478%0.78379%0.791SS**  168.9164.7104.785.40000114.9
579C26Very low30.9Very low92 Ų92133 Ų13362%0.62279%0.793SS**  trans-46.8170.4-174.443.50000125.2
580H28.2Very low30.7Very low164 Ų164132.1 Ų132.176%0.75980%0.803SS**  trans120144.3150.6-65.1-53.6000114.2
581R28.6Very low30.8Very low224 Ų224132.9 Ų132.985%0.84581%0.807SS**  cis-166140.24.9-121.9176.2-178.7175.70.7106.8
582A28.8Very low30.9Very low105 Ų105133.9 Ų133.987%0.86882%0.819SS**  68.9132.3112.600000119.8
583G25.6Very low31Very low81 Ų81131.7 Ų131.784%0.83582%0.819SS**  trans169.8107.9161.300000113
584N34.1Very low31.3Very low156 Ų156131.3 Ų131.383%0.83482%0.822SS**  trans-82154.7171.2-93-10.2000111.1
585D29.1Very low30.8Very low168 Ų168130.2 Ų130.290%0.89882%0.823SS**  -177.9143.6127.8-88.6-25.6000112.3
586A32.6Very low30.8Very low91 Ų91136.3 Ų136.375%0.75283%0.83SS**  trans-116.2-179.5168.400000107.7
587P53.8Low30.3Very low126 Ų126136.5 Ų136.582%0.81883%0.829SS**  cis-155.4-159.628.341-14.9000117.4
588A29.3Very low31.2Very low108 Ų108133.9 Ų133.989%0.89383%0.828SS**  trans88.3136.1164.900000118.1
589G27.8Very low31.1Very low72 Ų72131.9 Ų131.974%0.74283%0.826SS**  cis139.1114.2-0.300000111.2
590C25.2Very low31.4Very low143 Ų143135.1 Ų135.197%0.96684%0.837SS**  trans-169.8140.2150.1-106.60000114.3
591L30Very low31.9Very low161 Ų161138.9 Ų138.984%0.84384%0.844SS**  trans-107.8157.8-177.5-81.1154000110.8
592S26.8Very low32.4Very low131 Ų131134.7 Ų134.792%0.91684%0.843SS**  trans-170.4151.2134.8-80.10000112.4
593Q29.9Very low33.1Very low190 Ų190133 Ų13389%0.88884%0.836SS**  trans-136.7165.8-155.1-156.9176.51700111.8
594A32.8Very low34.6Very low101 Ų101133.2 Ų133.284%0.83582%0.821SS**  trans96.8136.1163.500000117.5
595A27.2Very low36.2Very low94 Ų94129.2 Ų129.278%0.77781%0.806SS**  cis-158.3143.234.700000117.2
596R30.8Very low38.6Very low233 Ų233129.1 Ų129.188%0.87980%0.797SS**  trans45.6106.3135.9-59.6-165.9177.1-177.6-0.4126.3
597T32.8Very low41Very low130 Ų130125.3 Ų125.380%0.79877%0.765SS**  40.3161.1122.249.50000124.6
598P45.8Very low42.5Very low129 Ų129127.8 Ų127.884%0.83876%0.758SS**  cis-134.7159.9-3.235.7-15.8000116.6
599G27.4Very low45.1Very low71 Ų71126.6 Ų126.673%0.73273%0.733SS**SBendtrans162.193.6167.300000114.5
600D33.2Very low47.4Very low160 Ų160128 Ų12886%0.85674%0.738SS**  trans21.5101166-130.1-4.3000119.5
601R37.4Very low49.8Very low243 Ų243125.3 Ų125.392%0.91773%0.734SS**  trans-132.496.2167.1-79.8-173.7175180-0.8109.6G603R601-G603 VanDerWaalsContact C-N 3.29Å; R601-G603 PolarHBondContact O-N 3.46Å
602T39.3Very low52.2Low135 Ų135118.9 Ų118.983%0.82870%0.702SS**  trans-75.784.7161.240.20000109.3
603G43.4Very low54.6Low69 Ų69120.9 Ų120.971%0.71170%0.699SS**  trans-75.1132.3175.700000112.4R601 S605R601-G603 VanDerWaalsContact C-N 3.29Å; R601-G603 PolarHBondContact O-N 3.46Å; G603-S605 PolarHBondContact O-N 2.83Å
604T57.2Low56.9Low86 Ų86119.1 Ų119.153%0.52869%0.685SS.*  trans-66.8112.6176.151.80000111.2
605S67.6Low59.3Low72 Ų72120.2 Ų120.250%0.50367%0.672SS.*PPolyproline II helixtrans-70.4153.3172.653.50000111.6G603 G616G603-S605 PolarHBondContact O-N 2.83Å; S605-G616 PolarHBondContact O-N 3.1Å
606K79.4Confident62Low166 Ų166115.8 Ų115.872%0.72264%0.635SS**BIsolated β-bridgetrans-55.9148.8171-69.8-177179.5179.90111R608K606-R608 PolarHBondContact O-N 3.24Å
607C84.8Confident64.3Low11 Ų11106.6 Ų106.67%0.07460%0.604CS.*PPolyproline II helixtrans-56.3135.1178.9177.50000110.6K609 C612 Y614 G622 C624C607-K609 PolarHBondContact O-N 2.96Å; C607-K609 PolarHBondContact SG-N 3.45Å; C607-C612 HydrophobicContact CB-CB 3.97Å; C607-C612 VanDerWaalsContact SG-SG 3.67Å; C607-Y614 WeakPolarHBondContact CB-O 3.31Å; C607-Y614 PolarHBondContact N-O 2.91Å; C607-G622 WeakPolarHBondContact CA-O 2.98Å; C607-C624 HydrophobicContact CB-CB 4.1Å; C607-C624 PolarHBondContact SG-N 3.13Å
608R84.3Confident66.4Low178 Ų178105.3 Ų105.367%0.67260%0.598SS**SBendtrans-62.7-19.5179.8-175.8175.3177.3-1762114.5K606 A610 G622 F623K606-R608 PolarHBondContact O-N 3.24Å; R608-A610 PolarHBondContact O-N 2.76Å; R608-G622 WeakPolarHBondContact CB-O 3.42Å; R608-G622 PolarHBondContact N-O 3.16Å; R608-F623 HydrophobicContact CB-CD1 3.92Å; R608-F623 HydrophobicContact CB-CE1 3.79Å; R608-F623 HydrophobicContact CB-CE2 4.49Å; R608-F623 HydrophobicContact CB-CG 4.34Å; R608-F623 HydrophobicContact CB-CZ 4.1Å; R608-F623 HydrophobicContact CG-CE1 4.06Å; R608-F623 HydrophobicContact CG-CZ 4.02Å
609K83.1Confident67.9Low83 Ų83105.9 Ų105.936%0.36159%0.59SS.*SBendtrans-70.8121.5177.9-172.9178.2-170.1178.10109.8C607 G611 C612 F623 C627 E630C607-K609 PolarHBondContact O-N 2.96Å; C607-K609 PolarHBondContact SG-N 3.45Å; K609-G611 PolarHBondContact O-N 3.16Å; K609-C612 HydrophobicContact CB-CB 3.91Å; K609-C612 HydrophobicContact CG-CB 4.48Å; K609-C612 WeakPolarHBondContact O-CB 3.43Å; K609-C612 PolarHBondContact O-N 3.14Å; K609-F623 HydrophobicContact CB-CD1 4.38Å; K609-F623 HydrophobicContact CB-CE1 4.46Å; K609-C627 HydrophobicContact CB-CB 4.07Å; K609-C627 HydrophobicContact CD-CB 4.13Å; K609-C627 WeakPolarHBondContact CD-SG 3.17Å; K609-E630 IonicContact NZ-OE1 3.81Å; K609-E630 PolarHBondContact NZ-OE1 3.02Å; K609-E630 IonicContact NZ-OE2 3.76Å; K609-E630 PolarHBondContact NZ-OE2 3.37Å
610A77.4Confident70.5Confident103 Ų103103.9 Ų103.985%0.85156%0.562SS**THydrogen-bonded Turntrans-56.9129.9179.100000110.9R608 C612R608-A610 PolarHBondContact O-N 2.76Å; A610-C612 VanDerWaalsContact C-N 3.3Å; A610-C612 PolarHBondContact O-N 2.97Å
611G76.3Confident72.8Confident85 Ų85102.1 Ų102.188%0.87655%0.547SS*.THydrogen-bonded Turntrans80.9-0.9-17600000115.4K609K609-G611 PolarHBondContact O-N 3.16Å
612C78.9Confident74.9Confident27 Ų2791.3 Ų91.318%0.18251%0.511CS..  trans-82.6125.2176.3-170.40000111.2C607 K609 A610 C627C607-C612 HydrophobicContact CB-CB 3.97Å; C607-C612 VanDerWaalsContact SG-SG 3.67Å; K609-C612 HydrophobicContact CB-CB 3.91Å; K609-C612 HydrophobicContact CG-CB 4.48Å; K609-C612 WeakPolarHBondContact O-CB 3.43Å; K609-C612 PolarHBondContact O-N 3.14Å; A610-C612 VanDerWaalsContact C-N 3.3Å; A610-C612 PolarHBondContact O-N 2.97Å; C612-C627 VanDerWaalsContact SG-SG 3.65Å
613M77.7Confident77Confident173 Ų17385.8 Ų85.885%0.85248%0.476SS*.  trans-86.2-6.4-177.9-61.5-171.370.900114.2
614Y78.8Confident78.9Confident152 Ų15283 Ų8360%0.59645%0.446SS*.SBendtrans-85.1166.1-176.9-62.1-77.5000112.4C607C607-Y614 WeakPolarHBondContact CB-O 3.31Å; C607-Y614 PolarHBondContact N-O 2.91Å
615F83.5Confident79.9Confident125 Ų12583.2 Ų83.255%0.54845%0.446SS..BIsolated β-bridgetrans-90.9140.1177.8-57.9-84.4000111.2C624F615-C624 WeakPolarHBondContact O-CA 3.46Å; F615-C624 VanDerWaalsContact O-CB 3.27Å; F615-C624 WeakPolarHBondContact O-CB 3.42Å
616G82.2Confident80.3Confident0 Ų085.5 Ų85.50%045%0.453CS..PPolyproline II helixtrans-95.1148.817300000111.4S605 F623S605-G616 PolarHBondContact O-N 3.1Å; G616-F623 VanDerWaalsContact CA-C 3.4Å; G616-F623 VanDerWaalsContact CA-O 3.26Å; G616-F623 WeakPolarHBondContact CA-O 3.29Å
617T79.9Confident80.2Confident40 Ų4078.1 Ų78.125%0.24542%0.422CS..  trans-109.4153.5175.880.20000110.7E619 N620 K621 G622 F623T617-E619 WeakPolarHBondContact CB-OE2 3.5Å; T617-E619 PolarHBondContact O-N 3.47Å; T617-E619 PolarHBondContact OG1-OE2 3.29Å; T617-N620 CarbonylContact O-C 3.59Å; T617-N620 PolarHBondContact O-N 3.43Å; T617-N620 VanDerWaalsContact O-N 3.15Å; T617-N620 PolarHBondContact OG1-N 3.29Å; T617-K621 PolarHBondContact O-N 3.14Å; T617-G622 WeakPolarHBondContact O-CA 3.36Å; T617-G622 PolarHBondContact O-N 2.87Å; T617-F623 PolarHBondContact N-O 2.73Å
618P76.3Confident80.3Confident103 Ų10379 Ų7967%0.66943%0.425SS*.THydrogen-bonded Turntrans-57.6-37176-23.234.1000112.7N620 K621P618-N620 VanDerWaalsContact C-N 3.25Å; P618-N620 PolarHBondContact O-N 2.91Å; P618-K621 PolarHBondContact O-N 3.08Å
619E78.2Confident80.1Confident142 Ų14274.2 Ų74.266%0.66441%0.411SS*.THydrogen-bonded Turntrans-63.1-34.9178.8-53.671.2-146.500111.1T617 K621T617-E619 WeakPolarHBondContact CB-OE2 3.5Å; T617-E619 PolarHBondContact O-N 3.47Å; T617-E619 PolarHBondContact OG1-OE2 3.29Å; E619-K621 VanDerWaalsContact C-N 3.3Å; E619-K621 PolarHBondContact O-N 3.34Å
620N81.1Confident79.7Confident29 Ų2974.2 Ų74.216%0.15541%0.412CS..THydrogen-bonded Turntrans-93.124.5175.7-70.9-23.7000112.8T617 P618 G622 F623 F628T617-N620 CarbonylContact O-C 3.59Å; T617-N620 PolarHBondContact O-N 3.43Å; T617-N620 VanDerWaalsContact O-N 3.15Å; T617-N620 PolarHBondContact OG1-N 3.29Å; P618-N620 VanDerWaalsContact C-N 3.25Å; P618-N620 PolarHBondContact O-N 2.91Å; N620-G622 PolarHBondContact O-N 3.36Å; N620-G622 VanDerWaalsContact O-N 3.14Å; N620-F623 WeakPolarHBondContact CB-O 3.35Å; N620-F623 WeakPolarHBondContact O-CB 3.25Å; N620-F623 PolarHBondContact O-N 2.95Å; N620-F628 HydrophobicContact CB-CB 3.95Å; N620-F628 HydrophobicContact CB-CD1 4.1Å; N620-F628 HydrophobicContact CB-CD2 4.1Å; N620-F628 HydrophobicContact CB-CG 3.79Å; N620-F628 WeakPolarHBondContact O-CD2 3.27Å; N620-F628 VanDerWaalsContact OD1-CD1 3.22Å; N620-F628 WeakPolarHBondContact OD1-CD1 3.21Å
621K83Confident79.8Confident122 Ų12272.8 Ų72.853%0.5339%0.385SS..THydrogen-bonded Turntrans53.832.6178.9-57.7-175.3179.2-179.50114.1T617 P618 E619 F623 F628 Y631T617-K621 PolarHBondContact O-N 3.14Å; P618-K621 PolarHBondContact O-N 3.08Å; E619-K621 VanDerWaalsContact C-N 3.3Å; E619-K621 PolarHBondContact O-N 3.34Å; K621-F623 VanDerWaalsContact C-N 3.33Å; K621-F623 HydrophobicContact CB-CD2 4.42Å; K621-F628 HydrophobicContact CB-CE2 4.34Å; K621-F628 HydrophobicContact CD-CE2 4.21Å; K621-F628 HydrophobicContact CG-CE2 4.07Å; K621-Y631 HydrophobicContact CD-CE1 4.41Å
622G79.9Confident80Confident16 Ų1675.6 Ų75.617%0.16537%0.37CS..THydrogen-bonded Turntrans79.78.3-17800000114.7C607 R608 T617 N620C607-G622 WeakPolarHBondContact CA-O 2.98Å; R608-G622 WeakPolarHBondContact CB-O 3.42Å; R608-G622 PolarHBondContact N-O 3.16Å; T617-G622 WeakPolarHBondContact O-CA 3.36Å; T617-G622 PolarHBondContact O-N 2.87Å; N620-G622 PolarHBondContact O-N 3.36Å; N620-G622 VanDerWaalsContact O-N 3.14Å
623F84Confident79.7Confident20 Ų2080.2 Ų80.29%0.08839%0.389CS..SBendtrans-93.5152168.7-65.7-83.5000110.8R608 K609 G616 T617 N620 K621 C627 F628 Y631R608-F623 HydrophobicContact CB-CD1 3.92Å; R608-F623 HydrophobicContact CB-CE1 3.79Å; R608-F623 HydrophobicContact CB-CE2 4.49Å; R608-F623 HydrophobicContact CB-CG 4.34Å; R608-F623 HydrophobicContact CB-CZ 4.1Å; R608-F623 HydrophobicContact CG-CE1 4.06Å; R608-F623 HydrophobicContact CG-CZ 4.02Å; K609-F623 HydrophobicContact CB-CD1 4.38Å; K609-F623 HydrophobicContact CB-CE1 4.46Å; G616-F623 VanDerWaalsContact CA-C 3.4Å; G616-F623 VanDerWaalsContact CA-O 3.26Å; G616-F623 WeakPolarHBondContact CA-O 3.29Å; T617-F623 PolarHBondContact N-O 2.73Å; N620-F623 WeakPolarHBondContact CB-O 3.35Å; N620-F623 WeakPolarHBondContact O-CB 3.25Å; N620-F623 PolarHBondContact O-N 2.95Å; K621-F623 VanDerWaalsContact C-N 3.33Å; K621-F623 HydrophobicContact CB-CD2 4.42Å; F623-C627 HydrophobicContact CB-CB 4.1Å; F623-C627 HydrophobicContact CD1-CB 3.88Å; F623-C627 HydrophobicContact CG-CB 4.42Å; F623-F628 HydrophobicContact CB-CB 3.88Å; F623-F628 HydrophobicContact CB-CD2 4.47Å; F623-F628 HydrophobicContact CD2-CD2 4.34Å; F623-Y631 HydrophobicContact CD2-CD1 4.45Å; F623-Y631 HydrophobicContact CD2-CG 4.32Å; F623-Y631 HydrophobicContact CE2-CD1 4.13Å; F623-Y631 AromaticContact CE2-CD2 3.82Å; F623-Y631 HydrophobicContact CE2-CD2 3.82Å; F623-Y631 HydrophobicContact CE2-CE1 4.42Å; F623-Y631 HydrophobicContact CE2-CE2 4.13Å; F623-Y631 AromaticContact CE2-CG 3.83Å; F623-Y631 HydrophobicContact CE2-CG 3.83Å; F623-Y631 AromaticContact CZ-CD2 3.77Å; F623-Y631 HydrophobicContact CZ-CD2 3.77Å; F623-Y631 HydrophobicContact CZ-CE2 4.24Å; F623-Y631 HydrophobicContact CZ-CG 4.11Å
624C82.6Confident79.1Confident11 Ų1176.3 Ų76.37%0.07437%0.371CS..  trans-67.9159.1162.475.10000109.2C607 F615 L626 C627 F628C607-C624 HydrophobicContact CB-CB 4.1Å; C607-C624 PolarHBondContact SG-N 3.13Å; F615-C624 WeakPolarHBondContact O-CA 3.46Å; F615-C624 VanDerWaalsContact O-CB 3.27Å; F615-C624 WeakPolarHBondContact O-CB 3.42Å; C624-L626 PolarHBondContact O-N 2.63Å; C624-L626 VanDerWaalsContact O-N 3.1Å; C624-C627 PolarHBondContact O-N 3.23Å; C624-C627 PolarHBondContact SG-SG 3.16Å; C624-F628 WeakPolarHBondContact O-CB 3.49Å; C624-F628 PolarHBondContact O-N 2.86Å
625T79.9Confident78.3Confident89 Ų8974.5 Ų74.555%0.54637%0.367SS..Hα-helixtrans-50.9-41.8-174.6-470000113F628 I629T625-F628 PolarHBondContact O-N 3.36Å; T625-I629 HydrophobicContact CG2-CD1 4.39Å; T625-I629 WeakPolarHBondContact O-CD1 3.41Å; T625-I629 VanDerWaalsContact O-CG1 3.29Å; T625-I629 WeakPolarHBondContact O-CG1 3.42Å; T625-I629 PolarHBondContact O-N 3.44Å; T625-I629 VanDerWaalsContact O-N 3.15Å
626L74.5Confident76.7Confident121 Ų12175.1 Ų75.163%0.63437%0.371SS*.Hα-helixtrans-68.3-46.6179.3-64.2173.2000112.7C624 F628 I629 E630C624-L626 PolarHBondContact O-N 2.63Å; C624-L626 VanDerWaalsContact O-N 3.1Å; L626-F628 PolarHBondContact O-N 3.47Å; L626-I629 PolarHBondContact O-N 3.2Å; L626-E630 PolarHBondContact O-N 3.13Å
627C77.6Confident75.1Confident11 Ų1181.4 Ų81.47%0.07440%0.404CS..Hα-helixtrans-69.2-25.2178.2-64.90000111.9K609 C612 F623 C624 Y631K609-C627 HydrophobicContact CB-CB 4.07Å; K609-C627 HydrophobicContact CD-CB 4.13Å; K609-C627 WeakPolarHBondContact CD-SG 3.17Å; C612-C627 VanDerWaalsContact SG-SG 3.65Å; F623-C627 HydrophobicContact CB-CB 4.1Å; F623-C627 HydrophobicContact CD1-CB 3.88Å; F623-C627 HydrophobicContact CG-CB 4.42Å; C624-C627 PolarHBondContact O-N 3.23Å; C624-C627 PolarHBondContact SG-SG 3.16Å; C627-Y631 WeakPolarHBondContact O-CB 3.34Å; C627-Y631 PolarHBondContact O-N 3.26Å
628F86.8Confident73.4Confident30 Ų3084.9 Ų84.913%0.13242%0.424CS..Hα-helixtrans-72.6-38.1175.7-174.2-117.1000112.4N620 K621 F623 C624 T625 L626 Y631 R632N620-F628 HydrophobicContact CB-CB 3.95Å; N620-F628 HydrophobicContact CB-CD1 4.1Å; N620-F628 HydrophobicContact CB-CD2 4.1Å; N620-F628 HydrophobicContact CB-CG 3.79Å; N620-F628 WeakPolarHBondContact O-CD2 3.27Å; N620-F628 VanDerWaalsContact OD1-CD1 3.22Å; N620-F628 WeakPolarHBondContact OD1-CD1 3.21Å; K621-F628 HydrophobicContact CB-CE2 4.34Å; K621-F628 HydrophobicContact CD-CE2 4.21Å; K621-F628 HydrophobicContact CG-CE2 4.07Å; F623-F628 HydrophobicContact CB-CB 3.88Å; F623-F628 HydrophobicContact CB-CD2 4.47Å; F623-F628 HydrophobicContact CD2-CD2 4.34Å; C624-F628 WeakPolarHBondContact O-CB 3.49Å; C624-F628 PolarHBondContact O-N 2.86Å; T625-F628 PolarHBondContact O-N 3.36Å; L626-F628 PolarHBondContact O-N 3.47Å; F628-Y631 HydrophobicContact CD2-CD1 4.23Å; F628-Y631 HydrophobicContact CE2-CD1 4.32Å; F628-Y631 PolarHBondContact O-N 3.44Å; F628-R632 HydrophobicContact CE1-CG 4.23Å; F628-R632 HydrophobicContact CE2-CG 4.44Å; F628-R632 HydrophobicContact CZ-CG 4.16Å; F628-R632 WeakPolarHBondContact O-CG 3.42Å; F628-R632 PolarHBondContact O-N 3.36Å
629I79.8Confident71.5Confident77 Ų7784.1 Ų84.140%0.39543%0.427SS..Hα-helixtrans-63.6-49.6174.6-67.3162.3000109.7T625 L626 Y631 R632 E633T625-I629 HydrophobicContact CG2-CD1 4.39Å; T625-I629 WeakPolarHBondContact O-CD1 3.41Å; T625-I629 VanDerWaalsContact O-CG1 3.29Å; T625-I629 WeakPolarHBondContact O-CG1 3.42Å; T625-I629 PolarHBondContact O-N 3.44Å; T625-I629 VanDerWaalsContact O-N 3.15Å; L626-I629 PolarHBondContact O-N 3.2Å; I629-Y631 VanDerWaalsContact C-N 3.3Å; I629-Y631 PolarHBondContact O-N 2.95Å; I629-R632 WeakPolarHBondContact O-CB 3.01Å; I629-R632 PolarHBondContact O-N 3.38Å; I629-E633 WeakPolarHBondContact O-CG 3.47Å; I629-E633 PolarHBondContact O-N 2.89Å
630E75.4Confident69.8Low82 Ų8281.6 Ų81.638%0.38343%0.43SS..Hα-helixtrans-61.4-37.9175.9-169.6-175.617200112.1K609 L626 N634K609-E630 IonicContact NZ-OE1 3.81Å; K609-E630 PolarHBondContact NZ-OE1 3.02Å; K609-E630 IonicContact NZ-OE2 3.76Å; K609-E630 PolarHBondContact NZ-OE2 3.37Å; L626-E630 PolarHBondContact O-N 3.13Å; E630-N634 WeakPolarHBondContact O-CB 3.45Å; E630-N634 PolarHBondContact O-N 3.19Å; E630-N634 VanDerWaalsContact O-N 3.1Å; E630-N634 PolarHBondContact O-ND2 2.81Å
631Y79.4Confident67.8Low73 Ų7385.4 Ų85.429%0.28646%0.459SS..Hα-helixtrans-64.2-38.4172.6173.6-98.3000112.4K621 F623 C627 F628 I629 K635K621-Y631 HydrophobicContact CD-CE1 4.41Å; F623-Y631 HydrophobicContact CD2-CD1 4.45Å; F623-Y631 HydrophobicContact CD2-CG 4.32Å; F623-Y631 HydrophobicContact CE2-CD1 4.13Å; F623-Y631 AromaticContact CE2-CD2 3.82Å; F623-Y631 HydrophobicContact CE2-CD2 3.82Å; F623-Y631 HydrophobicContact CE2-CE1 4.42Å; F623-Y631 HydrophobicContact CE2-CE2 4.13Å; F623-Y631 AromaticContact CE2-CG 3.83Å; F623-Y631 HydrophobicContact CE2-CG 3.83Å; F623-Y631 AromaticContact CZ-CD2 3.77Å; F623-Y631 HydrophobicContact CZ-CD2 3.77Å; F623-Y631 HydrophobicContact CZ-CE2 4.24Å; F623-Y631 HydrophobicContact CZ-CG 4.11Å; C627-Y631 WeakPolarHBondContact O-CB 3.34Å; C627-Y631 PolarHBondContact O-N 3.26Å; F628-Y631 HydrophobicContact CD2-CD1 4.23Å; F628-Y631 HydrophobicContact CE2-CD1 4.32Å; F628-Y631 PolarHBondContact O-N 3.44Å; I629-Y631 VanDerWaalsContact C-N 3.3Å; I629-Y631 PolarHBondContact O-N 2.95Å; Y631-K635 HydrophobicContact CE1-CD 4.31Å; Y631-K635 WeakPolarHBondContact O-CB 3.36Å; Y631-K635 PolarHBondContact O-N 3.38Å; Y631-K635 VanDerWaalsContact O-N 3.15Å
632R79.8Confident65.5Low144 Ų14482.9 Ų82.954%0.54347%0.468SS..Hα-helixtrans-68.8-45.1176.8-81.5-177.665.9-173.8-0.9112.1F628 I629 K635 H636F628-R632 HydrophobicContact CE1-CG 4.23Å; F628-R632 HydrophobicContact CE2-CG 4.44Å; F628-R632 HydrophobicContact CZ-CG 4.16Å; F628-R632 WeakPolarHBondContact O-CG 3.42Å; F628-R632 PolarHBondContact O-N 3.36Å; I629-R632 WeakPolarHBondContact O-CB 3.01Å; I629-R632 PolarHBondContact O-N 3.38Å; R632-K635 PolarHBondContact O-N 2.8Å; R632-H636 PolarHBondContact O-CD2 3.47Å; R632-H636 PolarHBondContact O-N 2.97Å; R632-H636 VanDerWaalsContact O-N 3.08Å
633E73.3Confident63.3Low125 Ų12592.1 Ų92.158%0.58450%0.503SS*.Hα-helixtrans-63.4-42.7-179.7-71.6175.2169.200111.3I629 K635 H636 L637I629-E633 WeakPolarHBondContact O-CG 3.47Å; I629-E633 PolarHBondContact O-N 2.89Å; E633-K635 VanDerWaalsContact C-N 3.33Å; E633-K635 PolarHBondContact O-N 3.28Å; E633-H636 PolarHBondContact O-N 3.34Å; E633-L637 PolarHBondContact O-N 2.98Å
634N64.3Low60.8Low90 Ų9096 Ų9648%0.48154%0.539SS..Hα-helixtrans-68-30.2175.5-74.8-46.7000113.3E630 L637 V638E630-N634 WeakPolarHBondContact O-CB 3.45Å; E630-N634 PolarHBondContact O-N 3.19Å; E630-N634 VanDerWaalsContact O-N 3.1Å; E630-N634 PolarHBondContact O-ND2 2.81Å; N634-L637 PolarHBondContact O-N 3.15Å; N634-V638 WeakPolarHBondContact O-CG2 3.34Å; N634-V638 PolarHBondContact O-N 3.22Å
635K62.2Low58.3Low115 Ų115101.1 Ų101.150%0.558%0.575SS.*Hα-helixtrans-74.4-27.9176.4-147.2179.8-175.3-176.40112.6Y631 R632 E633 L637 V638 A639Y631-K635 HydrophobicContact CE1-CD 4.31Å; Y631-K635 WeakPolarHBondContact O-CB 3.36Å; Y631-K635 PolarHBondContact O-N 3.38Å; Y631-K635 VanDerWaalsContact O-N 3.15Å; R632-K635 PolarHBondContact O-N 2.8Å; E633-K635 VanDerWaalsContact C-N 3.33Å; E633-K635 PolarHBondContact O-N 3.28Å; K635-L637 VanDerWaalsContact C-N 3.32Å; K635-V638 PolarHBondContact O-N 3.27Å; K635-A639 PolarHBondContact O-N 3.34Å
636H51.8Low56.5Low138 Ų138102.2 Ų102.264%0.63958%0.584SS**Hα-helixtrans-70.2-27.4172.7-92.6-86.2000112.9R632 E633R632-H636 PolarHBondContact O-CD2 3.47Å; R632-H636 PolarHBondContact O-N 2.97Å; R632-H636 VanDerWaalsContact O-N 3.08Å; E633-H636 PolarHBondContact O-N 3.34Å
637L48.4Very low54.3Low131 Ų131103 Ų10369%0.68659%0.594SS**Hα-helixtrans-76.2-28.7174.4-69.2167.1000113.1E633 N634 K635E633-L637 PolarHBondContact O-N 2.98Å; N634-L637 PolarHBondContact O-N 3.15Å; K635-L637 VanDerWaalsContact C-N 3.32Å
638V42.6Very low52.6Low113 Ų113107.6 Ų107.669%0.68563%0.632SS**Hα-helixtrans-84.6-23.4178.6-1790000112.3N634 K635 A640N634-V638 WeakPolarHBondContact O-CG2 3.34Å; N634-V638 PolarHBondContact O-N 3.22Å; K635-V638 PolarHBondContact O-N 3.27Å; V638-A640 VanDerWaalsContact C-N 3.31Å; V638-A640 PolarHBondContact O-N 3.21Å
639A37.2Very low50Low87 Ų87111 Ų11172%0.71966%0.66SS**THydrogen-bonded Turntrans-78.2-10.617800000114.4K635K635-A639 PolarHBondContact O-N 3.34Å
640A42.2Very low48.2Very low89 Ų89117.9 Ų117.974%0.73668%0.681SS**THydrogen-bonded Turntrans-102.49.4178.900000114.1V638V638-A640 VanDerWaalsContact C-N 3.31Å; V638-A640 PolarHBondContact O-N 3.21Å
641S40.1Very low46.2Very low110 Ų110123.7 Ų123.777%0.76971%0.705SS**  trans-110.987.4175.1-167.30000110.3
642G34.7Very low44.5Very low68 Ų68127.4 Ų127.470%0.70173%0.725SS**  trans-147.360.617800000111.1
643K33.2Very low42.8Very low211 Ų211127.8 Ų127.892%0.91774%0.738SS**  trans167.6120.8144.6-93.9168.7-175.1-175.40110.1
644A31.7Very low41.7Very low100 Ų100126.8 Ų126.883%0.82674%0.74SS**  trans-86.8138.8173.500000111.3
645S28.8Very low41.8Very low119 Ų119126.2 Ų126.283%0.83274%0.737SS**  -169.1156.3125.9-115.50000112.6
646P42.6Very low42.4Very low113 Ų113125.1 Ų125.173%0.73474%0.741SS**  trans-103.6131.8-155.536.7-27.4000112.5
647T29.4Very low43.8Very low137 Ų137119 Ų11984%0.8471%0.714SS**  trans-146111.9155.78.70000109S649T647-S649 PolarHBondContact O-N 3.3Å
648A40.5Very low45.3Very low108 Ų108117.8 Ų117.889%0.89371%0.708SS**  trans-63.2126.1162.500000108.9
649S32.6Very low47Very low101 Ų101113.1 Ų113.171%0.70668%0.682SS**  trans-132.2107.216043.40000109.1T647T647-S649 PolarHBondContact O-N 3.3Å
650R42.6Very low48.7Very low221 Ų221121 Ų12183%0.83469%0.693SS**  trans-36.1135.1161.8-72.3167.2165.1158.1-5.1111.7
651F32.4Very low50.1Low205 Ų205126.6 Ų126.690%0.89970%0.704SS**  trans-105.7104.5147.9-85.3-81.8000108.5
652Q43.4Very low51.8Low151 Ų151122.8 Ų122.871%0.70668%0.677SS**  trans-80.7128.2158.4-78.9172.2-35.500107.9
653N44.3Very low53.6Low152 Ų152123.8 Ų123.881%0.81369%0.688SS**  trans-170.173.3142.4-92.3-18.4000108.1I655N653-I655 PolarHBondContact O-N 3.33Å
654T51.5Low55.9Low103 Ų103117 Ų11763%0.63266%0.664SS**  trans-84.892.2171.140.40000108.8L665T654-L665 HydrophobicContact CG2-CD1 3.66Å; T654-L665 HydrophobicContact CG2-CD2 3.94Å; T654-L665 HydrophobicContact CG2-CG 4.45Å
655I64.9Low58.1Low78 Ų78117.3 Ų117.340%0.465%0.651SS.*PPolyproline II helixtrans-77127175.6-57.8176.3000108N653 G666 T668N653-I655 PolarHBondContact O-N 3.33Å; I655-G666 PolarHBondContact O-N 2.84Å; I655-T668 HydrophobicContact CD1-CG2 4.31Å
656P75.8Confident60.2Low92 Ų92112.4 Ų112.460%0.59762%0.619SS**BIsolated β-bridgetrans-65.2145174.5-17.830.2000111.4L658P656-L658 PolarHBondContact O-N 3.29Å
657C80.6Confident61.5Low9 Ų9109 Ų1096%0.06160%0.597CS.*PPolyproline II helixtrans-59.6131.5175176.20000110.6G659 C662 T664 G672 C674C657-G659 PolarHBondContact O-N 3.46Å; C657-G659 VanDerWaalsContact O-N 3.09Å; C657-G659 PolarHBondContact SG-N 2.96Å; C657-G659 VanDerWaalsContact SG-N 3.35Å; C657-C662 HydrophobicContact CB-CB 4.15Å; C657-C662 VanDerWaalsContact SG-SG 3.69Å; C657-T664 WeakPolarHBondContact CB-O 3.47Å; C657-T664 PolarHBondContact N-O 2.88Å; C657-G672 WeakPolarHBondContact CA-O 3.19Å; C657-C674 HydrophobicContact CB-CB 4.12Å; C657-C674 PolarHBondContact SG-N 3.24Å; C657-C674 VanDerWaalsContact SG-SG 3.62Å
658L80.3Confident63.4Low107 Ų107108 Ų10856%0.5659%0.592SS**  trans-72.14.2177.8-64.2174000114.4P656 E671 G672 Y673P656-L658 PolarHBondContact O-N 3.29Å; L658-E671 WeakPolarHBondContact CD1-O 3.21Å; L658-G672 WeakPolarHBondContact CG-O 3.43Å; L658-G672 PolarHBondContact N-O 2.73Å; L658-Y673 HydrophobicContact CB-CD1 3.92Å; L658-Y673 HydrophobicContact CB-CD2 4.42Å; L658-Y673 HydrophobicContact CB-CE1 3.64Å; L658-Y673 HydrophobicContact CB-CE2 4.15Å; L658-Y673 HydrophobicContact CB-CG 4.31Å; L658-Y673 HydrophobicContact CD1-CE2 4.46Å; L658-Y673 VanDerWaalsContact O-CE1 3.32Å; L658-Y673 WeakPolarHBondContact O-CE1 3.27Å
659G78.4Confident64.5Low14 Ų14110.2 Ų110.214%0.14459%0.586CS.*SBendtrans-71.5138.1176.200000111.7C657 E661 C662C657-G659 PolarHBondContact O-N 3.46Å; C657-G659 VanDerWaalsContact O-N 3.09Å; C657-G659 PolarHBondContact SG-N 2.96Å; C657-G659 VanDerWaalsContact SG-N 3.35Å; G659-E661 PolarHBondContact O-N 3.14Å; G659-E661 VanDerWaalsContact O-N 3.14Å; G659-C662 WeakPolarHBondContact O-CB 3.34Å; G659-C662 PolarHBondContact O-N 3.47Å
660R73.4Confident66.3Low252 Ų252108.8 Ų108.895%0.95157%0.567SS**THydrogen-bonded Turntrans-56.6121.5177-70.4-172.8-177.9-134.11.9109.4C662R660-C662 PolarHBondContact O-N 2.98Å
661E72Confident68Low208 Ų208103.3 Ų103.397%0.97255%0.551SS**THydrogen-bonded Turntrans59.824.2-178.8-54.8-176.4-177.200115.2G659G659-E661 PolarHBondContact O-N 3.14Å; G659-E661 VanDerWaalsContact O-N 3.14Å
662C75.3Confident70.1Confident30 Ų3094.1 Ų94.120%0.20351%0.513CS..  trans-93.7104.1178.7-1690000112C657 G659 R660 T664 C677C657-C662 HydrophobicContact CB-CB 4.15Å; C657-C662 VanDerWaalsContact SG-SG 3.69Å; G659-C662 WeakPolarHBondContact O-CB 3.34Å; G659-C662 PolarHBondContact O-N 3.47Å; R660-C662 PolarHBondContact O-N 2.98Å; C662-T664 PolarHBondContact O-N 3.44Å; C662-T664 VanDerWaalsContact O-N 3.09Å; C662-T664 PolarHBondContact SG-OG1 3.16Å; C662-C677 PolarHBondContact SG-SG 2.75Å
663G72.7Confident71.7Confident89 Ų8989.5 Ų89.592%0.91849%0.49SS*.  trans-7615.9179.100000115.9
664T80.8Confident73.5Confident68 Ų6883 Ų8342%0.41746%0.456SS..SBendtrans-98.1169.3-177.663.90000111.8C657 C662 C674C657-T664 WeakPolarHBondContact CB-O 3.47Å; C657-T664 PolarHBondContact N-O 2.88Å; C662-T664 PolarHBondContact O-N 3.44Å; C662-T664 VanDerWaalsContact O-N 3.09Å; C662-T664 PolarHBondContact SG-OG1 3.16Å; T664-C674 VanDerWaalsContact OG1-CB 3.23Å; T664-C674 WeakPolarHBondContact OG1-CB 3.3Å; T664-C674 PolarHBondContact OG1-SG 3.26Å
665L78.3Confident74.4Confident107 Ų10784.5 Ų84.556%0.5646%0.456SS*.BIsolated β-bridgetrans-82.7130.8179.5-61.4177.5000111.1T654 C674T654-L665 HydrophobicContact CG2-CD1 3.66Å; T654-L665 HydrophobicContact CG2-CD2 3.94Å; T654-L665 HydrophobicContact CG2-CG 4.45Å; L665-C674 WeakPolarHBondContact O-CB 3.46Å
666G72.9Confident74.9Confident15 Ų1587.7 Ų87.716%0.15547%0.467CS..PPolyproline II helixtrans-81.4151.3172.300000111.5I655 G672 Y673I655-G666 PolarHBondContact O-N 2.84Å; G666-G672 WeakPolarHBondContact CA-O 3.48Å; G666-Y673 WeakPolarHBondContact CA-O 3.38Å
667S69.3Low75Confident41 Ų4184 Ų8429%0.28744%0.443SS..  trans-114.1140.8174.3-179.60000110M669 F670 G672 Y673S667-M669 PolarHBondContact O-N 3.4Å; S667-M669 WeakPolarHBondContact OG-CB 3.37Å; S667-M669 PolarHBondContact OG-N 2.92Å; S667-F670 CarbonylContact O-C 3.53Å; S667-F670 PolarHBondContact O-N 2.93Å; S667-G672 WeakPolarHBondContact O-CA 3.49Å; S667-G672 PolarHBondContact O-N 2.94Å; S667-Y673 PolarHBondContact N-O 3.46Å
668T70.1Confident75.1Confident117 Ų11785.8 Ų85.872%0.71845%0.45SS*.G310 helixtrans-61.5-26170.650.10000112I655 F670I655-T668 HydrophobicContact CD1-CG2 4.31Å; T668-F670 PolarHBondContact O-N 2.9Å
669M63.2Low74.9Confident155 Ų15585 Ų8576%0.76445%0.445SS*.G310 helixtrans-70.2-16.8173.2-62.7-67.8-70.400113.4S667S667-M669 PolarHBondContact O-N 3.4Å; S667-M669 WeakPolarHBondContact OG-CB 3.37Å; S667-M669 PolarHBondContact OG-N 2.92Å
670F69.9Low74.7Confident71 Ų7189.2 Ų89.231%0.31146%0.461SS..G310 helixtrans-120.437.4179.7-59.2-52.5000111.1S667 T668 G672 Y673 Q675 F678S667-F670 CarbonylContact O-C 3.53Å; S667-F670 PolarHBondContact O-N 2.93Å; T668-F670 PolarHBondContact O-N 2.9Å; F670-G672 PolarHBondContact O-N 2.79Å; F670-G672 VanDerWaalsContact O-N 3.08Å; F670-Y673 WeakPolarHBondContact CB-O 3.36Å; F670-Y673 WeakPolarHBondContact O-CB 3.39Å; F670-Y673 PolarHBondContact O-N 2.97Å; F670-Q675 HydrophobicContact CD2-CB 4.5Å; F670-Q675 HydrophobicContact CE2-CB 4.2Å; F670-Q675 HydrophobicContact CZ-CG 4.47Å; F670-F678 HydrophobicContact CB-CB 4.13Å; F670-F678 HydrophobicContact CB-CD2 4.08Å; F670-F678 HydrophobicContact CB-CG 4.02Å; F670-F678 HydrophobicContact CD1-CD1 4.13Å; F670-F678 HydrophobicContact CD1-CE1 4.46Å; F670-F678 HydrophobicContact CD1-CG 4.36Å; F670-F678 WeakPolarHBondContact O-CD2 3.08Å
671E79Confident74.8Confident106 Ų10677.9 Ų77.950%0.49542%0.422SS..THydrogen-bonded Turntrans54.130.1179.4-59.7179.5178.800113.7L658 Y673 F678 R685L658-E671 WeakPolarHBondContact CD1-O 3.21Å; E671-Y673 VanDerWaalsContact C-N 3.32Å; E671-Y673 HydrophobicContact CB-CD2 4.32Å; E671-F678 HydrophobicContact CB-CE2 4.3Å; E671-F678 HydrophobicContact CG-CE2 4Å; E671-R685 IonicContact OE2-CZ 3.36Å; E671-R685 IonicContact OE2-NH1 2.66Å; E671-R685 PolarHBondContact OE2-NH1 3.44Å; E671-R685 IonicContact OE2-NH2 2.94Å; E671-R685 PolarHBondContact OE2-NH2 3.46Å
672G76.2Confident74.9Confident11 Ų1171.3 Ų71.311%0.11339%0.391CS..THydrogen-bonded Turntrans82.52.4-176.800000114.7C657 L658 G666 S667 F670C657-G672 WeakPolarHBondContact CA-O 3.19Å; L658-G672 WeakPolarHBondContact CG-O 3.43Å; L658-G672 PolarHBondContact N-O 2.73Å; G666-G672 WeakPolarHBondContact CA-O 3.48Å; S667-G672 WeakPolarHBondContact O-CA 3.49Å; S667-G672 PolarHBondContact O-N 2.94Å; F670-G672 PolarHBondContact O-N 2.79Å; F670-G672 VanDerWaalsContact O-N 3.08Å
673Y77.9Confident74.5Confident54 Ų5474 Ų7421%0.21240%0.404CS..SBendtrans-90159.5170-65.4-87.4000111.4L658 G666 S667 F670 E671 C677 F678L658-Y673 HydrophobicContact CB-CD1 3.92Å; L658-Y673 HydrophobicContact CB-CD2 4.42Å; L658-Y673 HydrophobicContact CB-CE1 3.64Å; L658-Y673 HydrophobicContact CB-CE2 4.15Å; L658-Y673 HydrophobicContact CB-CG 4.31Å; L658-Y673 HydrophobicContact CD1-CE2 4.46Å; L658-Y673 VanDerWaalsContact O-CE1 3.32Å; L658-Y673 WeakPolarHBondContact O-CE1 3.27Å; G666-Y673 WeakPolarHBondContact CA-O 3.38Å; S667-Y673 PolarHBondContact N-O 3.46Å; F670-Y673 WeakPolarHBondContact CB-O 3.36Å; F670-Y673 WeakPolarHBondContact O-CB 3.39Å; F670-Y673 PolarHBondContact O-N 2.97Å; E671-Y673 VanDerWaalsContact C-N 3.32Å; E671-Y673 HydrophobicContact CB-CD2 4.32Å; Y673-C677 HydrophobicContact CD1-CB 3.8Å; Y673-C677 HydrophobicContact CG-CB 4.49Å; Y673-F678 HydrophobicContact CD2-CD2 4.42Å
674C80.3Confident74.3Confident17 Ų1776.2 Ų76.212%0.11539%0.39CS..  trans-76.6160.5160.475.90000108.8C657 T664 L665 K676 C677 F678C657-C674 HydrophobicContact CB-CB 4.12Å; C657-C674 PolarHBondContact SG-N 3.24Å; C657-C674 VanDerWaalsContact SG-SG 3.62Å; T664-C674 VanDerWaalsContact OG1-CB 3.23Å; T664-C674 WeakPolarHBondContact OG1-CB 3.3Å; T664-C674 PolarHBondContact OG1-SG 3.26Å; L665-C674 WeakPolarHBondContact O-CB 3.46Å; C674-K676 PolarHBondContact O-N 3.2Å; C674-C677 PolarHBondContact O-N 3.24Å; C674-C677 VanDerWaalsContact O-N 3.14Å; C674-F678 WeakPolarHBondContact O-CB 3.41Å; C674-F678 PolarHBondContact O-N 3.48Å
675Q71.4Confident74Confident133 Ų13378.1 Ų78.162%0.62139%0.39SS*.Hα-helixtrans-51.5-37.1-176.4-172.4176.53.800113.2F670 I679F670-Q675 HydrophobicContact CD2-CB 4.5Å; F670-Q675 HydrophobicContact CE2-CB 4.2Å; F670-Q675 HydrophobicContact CZ-CG 4.47Å; Q675-I679 HydrophobicContact CG-CD1 4.41Å; Q675-I679 WeakPolarHBondContact O-CD1 3.34Å; Q675-I679 VanDerWaalsContact O-CG1 3.29Å; Q675-I679 WeakPolarHBondContact O-CG1 3.48Å; Q675-I679 PolarHBondContact O-N 3.37Å
676K76.1Confident73Confident145 Ų14579.2 Ų79.263%0.6339%0.39SS*.Hα-helixtrans-70.5-51.2179-171.2-177.7175.6-171.10112.6C674 F678 I679 E680C674-K676 PolarHBondContact O-N 3.2Å; K676-F678 VanDerWaalsContact C-N 3.26Å; K676-F678 PolarHBondContact O-N 3.39Å; K676-I679 PolarHBondContact O-N 3.13Å; K676-E680 WeakPolarHBondContact CE-OE1 3.4Å; K676-E680 PolarHBondContact O-N 2.74Å; K676-E680 VanDerWaalsContact O-N 3.12Å
677C77.7Confident72.3Confident15 Ų1583.8 Ų83.810%0.10141%0.407CS..Hα-helixtrans-69.4-25.7-179.1-66.80000112.7C662 Y673 C674 A681C662-C677 PolarHBondContact SG-SG 2.75Å; Y673-C677 HydrophobicContact CD1-CB 3.8Å; Y673-C677 HydrophobicContact CG-CB 4.49Å; C674-C677 PolarHBondContact O-N 3.24Å; C674-C677 VanDerWaalsContact O-N 3.14Å; C677-A681 VanDerWaalsContact O-CB 3.25Å; C677-A681 WeakPolarHBondContact O-CB 3.48Å; C677-A681 PolarHBondContact O-N 3.46Å
678F82.2Confident72Confident47 Ų4787 Ų8721%0.20642%0.418CS..Hα-helixtrans-64.2-45.7172.5-174.6-106.2000111.4F670 E671 Y673 C674 K676 A681 Q682F670-F678 HydrophobicContact CB-CB 4.13Å; F670-F678 HydrophobicContact CB-CD2 4.08Å; F670-F678 HydrophobicContact CB-CG 4.02Å; F670-F678 HydrophobicContact CD1-CD1 4.13Å; F670-F678 HydrophobicContact CD1-CE1 4.46Å; F670-F678 HydrophobicContact CD1-CG 4.36Å; F670-F678 WeakPolarHBondContact O-CD2 3.08Å; E671-F678 HydrophobicContact CB-CE2 4.3Å; E671-F678 HydrophobicContact CG-CE2 4Å; Y673-F678 HydrophobicContact CD2-CD2 4.42Å; C674-F678 WeakPolarHBondContact O-CB 3.41Å; C674-F678 PolarHBondContact O-N 3.48Å; K676-F678 VanDerWaalsContact C-N 3.26Å; K676-F678 PolarHBondContact O-N 3.39Å; F678-A681 PolarHBondContact O-N 3.28Å; F678-Q682 HydrophobicContact CD1-CG 4.39Å; F678-Q682 HydrophobicContact CE1-CG 4.08Å; F678-Q682 HydrophobicContact CE2-CG 4.42Å; F678-Q682 HydrophobicContact CZ-CG 4.09Å; F678-Q682 WeakPolarHBondContact O-CB 3.38Å; F678-Q682 VanDerWaalsContact O-CG 3.29Å; F678-Q682 WeakPolarHBondContact O-CG 3.33Å; F678-Q682 PolarHBondContact O-N 3.33Å
679I75.4Confident71.5Confident89 Ų8984.2 Ų84.246%0.45641%0.406SS..Hα-helixtrans-65.5-42.1178.1-65.6165.6000110.9Q675 K676 Q682 N683Q675-I679 HydrophobicContact CG-CD1 4.41Å; Q675-I679 WeakPolarHBondContact O-CD1 3.34Å; Q675-I679 VanDerWaalsContact O-CG1 3.29Å; Q675-I679 WeakPolarHBondContact O-CG1 3.48Å; Q675-I679 PolarHBondContact O-N 3.37Å; K676-I679 PolarHBondContact O-N 3.13Å; I679-Q682 PolarHBondContact O-N 2.98Å; I679-N683 PolarHBondContact O-N 3.19Å; I679-N683 PolarHBondContact O-ND2 3.01Å
680E74.9Confident71Confident103 Ų10382.1 Ų82.148%0.48139%0.393SS..Hα-helixtrans-63.2-42.3175.9-76.4171.8-178.900112.2K676 N683 Q684K676-E680 WeakPolarHBondContact CE-OE1 3.4Å; K676-E680 PolarHBondContact O-N 2.74Å; K676-E680 VanDerWaalsContact O-N 3.12Å; E680-N683 PolarHBondContact O-N 3.35Å; E680-Q684 PolarHBondContact O-N 3.04Å
681A75Confident70.2Confident15 Ų1586.3 Ų86.312%0.12441%0.406CS..Hα-helixtrans-65.2-40.2176.500000112.3C677 F678 Q684 R685C677-A681 VanDerWaalsContact O-CB 3.25Å; C677-A681 WeakPolarHBondContact O-CB 3.48Å; C677-A681 PolarHBondContact O-N 3.46Å; F678-A681 PolarHBondContact O-N 3.28Å; A681-Q684 PolarHBondContact O-N 2.73Å; A681-R685 WeakPolarHBondContact O-CG 3.29Å; A681-R685 PolarHBondContact O-N 2.87Å
682Q74.1Confident68.9Low69 Ų6985 Ų8532%0.32241%0.406SS..Hα-helixtrans-66.2-40.3176.7-72.6-65.1-2300112F678 I679 Q684 R685 F686F678-Q682 HydrophobicContact CD1-CG 4.39Å; F678-Q682 HydrophobicContact CE1-CG 4.08Å; F678-Q682 HydrophobicContact CE2-CG 4.42Å; F678-Q682 HydrophobicContact CZ-CG 4.09Å; F678-Q682 WeakPolarHBondContact O-CB 3.38Å; F678-Q682 VanDerWaalsContact O-CG 3.29Å; F678-Q682 WeakPolarHBondContact O-CG 3.33Å; F678-Q682 PolarHBondContact O-N 3.33Å; I679-Q682 PolarHBondContact O-N 2.98Å; Q682-Q684 VanDerWaalsContact C-N 3.35Å; Q682-Q684 PolarHBondContact O-N 3.25Å; Q682-R685 PolarHBondContact O-N 3.08Å; Q682-F686 WeakPolarHBondContact O-CB 3.38Å; Q682-F686 PolarHBondContact O-N 2.94Å
683N66.5Low67.6Low88 Ų8890.6 Ų90.647%0.47143%0.429SS..Hα-helixtrans-65-37.3175.4-78.3-25000112.3I679 E680 F686 H687I679-N683 PolarHBondContact O-N 3.19Å; I679-N683 PolarHBondContact O-ND2 3.01Å; E680-N683 PolarHBondContact O-N 3.35Å; N683-F686 PolarHBondContact O-N 3.2Å; N683-H687 PolarHBondContact O-CD2 3.25Å; N683-H687 PolarHBondContact O-N 3.43Å
684Q70.3Confident66Low135 Ų13594 Ų9463%0.63145%0.447SS*.Hα-helixtrans-64.7-45.7173.4-86.2178.5-9.700112.5E680 A681 Q682 F686 H687 E688E680-Q684 PolarHBondContact O-N 3.04Å; A681-Q684 PolarHBondContact O-N 2.73Å; Q682-Q684 VanDerWaalsContact C-N 3.35Å; Q682-Q684 PolarHBondContact O-N 3.25Å; Q684-F686 VanDerWaalsContact C-N 3.26Å; Q684-F686 PolarHBondContact O-N 3.25Å; Q684-H687 PolarHBondContact O-N 3.25Å; Q684-H687 VanDerWaalsContact O-N 3.16Å; Q684-E688 PolarHBondContact O-N 3.43Å
685R73.1Confident64.2Low108 Ų108100.5 Ų100.541%0.40848%0.476SS..Hα-helixtrans-58.4-39.9175.7-68.3-179.6-148.8-174.711.6111.5E671 A681 Q682 E688 A689E671-R685 IonicContact OE2-CZ 3.36Å; E671-R685 IonicContact OE2-NH1 2.66Å; E671-R685 PolarHBondContact OE2-NH1 3.44Å; E671-R685 IonicContact OE2-NH2 2.94Å; E671-R685 PolarHBondContact OE2-NH2 3.46Å; A681-R685 WeakPolarHBondContact O-CG 3.29Å; A681-R685 PolarHBondContact O-N 2.87Å; Q682-R685 PolarHBondContact O-N 3.08Å; R685-E688 PolarHBondContact O-N 2.98Å; R685-A689 WeakPolarHBondContact O-CB 3.33Å; R685-A689 PolarHBondContact O-N 2.86Å
686F58.7Low63.1Low130 Ų13099.7 Ų99.757%0.5748%0.475SS*.Hα-helixtrans-64.7-43175.9-178.5-102.9000112.8Q682 N683 Q684 A689 K690Q682-F686 WeakPolarHBondContact O-CB 3.38Å; Q682-F686 PolarHBondContact O-N 2.94Å; N683-F686 PolarHBondContact O-N 3.2Å; Q684-F686 VanDerWaalsContact C-N 3.26Å; Q684-F686 PolarHBondContact O-N 3.25Å; F686-A689 PolarHBondContact O-N 3.17Å; F686-K690 PolarHBondContact O-N 3.08Å; F686-K690 VanDerWaalsContact O-N 3.13Å
687H56.8Low61.4Low110 Ų110103 Ų10351%0.50948%0.483SS..Hα-helixtrans-71.1-28.4177.9-78.1-60.5000113.8N683 Q684 R691N683-H687 PolarHBondContact O-CD2 3.25Å; N683-H687 PolarHBondContact O-N 3.43Å; Q684-H687 PolarHBondContact O-N 3.25Å; Q684-H687 VanDerWaalsContact O-N 3.16Å; H687-R691 PolarHBondContact O-N 3.26Å
688E62.4Low59.6Low110 Ų110107.3 Ų107.351%0.51451%0.514SS..Hα-helixtrans-71.7-44.8172.4-75.8176.3171.600111.6Q684 R685 K690 R691 T692Q684-E688 PolarHBondContact O-N 3.43Å; R685-E688 PolarHBondContact O-N 2.98Å; E688-K690 VanDerWaalsContact C-N 3.26Å; E688-K690 PolarHBondContact O-N 3.48Å; E688-R691 PolarHBondContact O-N 3.04Å; E688-R691 VanDerWaalsContact O-N 3.13Å; E688-T692 PolarHBondContact O-N 2.73Å; E688-T692 PolarHBondContact O-OG1 3.21Å
689A59.4Low57.8Low57 Ų57109.2 Ų109.247%0.47153%0.533SS..Hα-helixtrans-58.2-39175.300000112.4R685 F686 T692 E693R685-A689 WeakPolarHBondContact O-CB 3.33Å; R685-A689 PolarHBondContact O-N 2.86Å; F686-A689 PolarHBondContact O-N 3.17Å; A689-T692 PolarHBondContact O-N 2.84Å; A689-E693 PolarHBondContact O-N 3.27Å
690K53.6Low56.2Low112 Ų112113.3 Ų113.349%0.48755%0.55SS.*Hα-helixtrans-67.6-34.4178-164.5175.9179.7-179.10113.2F686 E688 T692 E693 E694F686-K690 PolarHBondContact O-N 3.08Å; F686-K690 VanDerWaalsContact O-N 3.13Å; E688-K690 VanDerWaalsContact C-N 3.26Å; E688-K690 PolarHBondContact O-N 3.48Å; K690-T692 VanDerWaalsContact C-N 3.35Å; K690-E693 PolarHBondContact O-N 3.05Å; K690-E694 PolarHBondContact O-N 3.12Å
691R52.7Low54.5Low158 Ų158119.6 Ų119.660%0.59657%0.57SS**Hα-helixtrans-68.9-33.3174.2-85.9-171-78.6155.5-3.6112.3H687 E688 Q695H687-R691 PolarHBondContact O-N 3.26Å; E688-R691 PolarHBondContact O-N 3.04Å; E688-R691 VanDerWaalsContact O-N 3.13Å; R691-Q695 PolarHBondContact O-N 3.11Å
692T51.8Low52.6Low79 Ų79129.6 Ų129.649%0.48560%0.604SS.*Hα-helixtrans-69.6-35.9176.3-41.80000111.8E688 A689 K690 Q695 L696E688-T692 PolarHBondContact O-N 2.73Å; E688-T692 PolarHBondContact O-OG1 3.21Å; A689-T692 PolarHBondContact O-N 2.84Å; K690-T692 VanDerWaalsContact C-N 3.35Å; T692-Q695 PolarHBondContact O-N 2.94Å; T692-L696 PolarHBondContact O-N 3.15Å
693E49.1Very low50.5Low128 Ų128133.4 Ų133.460%0.59863%0.627SS**Hα-helixtrans-67.2-36175.3-110.3-173.1152.500113.5A689 K690 L696 R697A689-E693 PolarHBondContact O-N 3.27Å; K690-E693 PolarHBondContact O-N 3.05Å; E693-L696 PolarHBondContact O-N 2.99Å; E693-R697 PolarHBondContact O-N 3.49Å
694E44.2Very low48.8Very low127 Ų127135.6 Ų135.659%0.59364%0.643SS**Hα-helixtrans-71.3-32.3177.8-76.7175.9170.300112.5K690 R697K690-E694 PolarHBondContact O-N 3.12Å; E694-R697 PolarHBondContact O-N 2.76Å
695Q43.5Very low47.9Very low153 Ų153134.4 Ų134.472%0.71565%0.647SS**Hα-helixtrans-68.4-32.5172.8-89.7179.2-34.600113.1R691 T692 R697R691-Q695 PolarHBondContact O-N 3.11Å; T692-Q695 PolarHBondContact O-N 2.94Å; Q695-R697 VanDerWaalsContact C-N 3.35Å
696L48.2Very low45.8Very low115 Ų115140.6 Ų140.660%0.60267%0.67SS**Hα-helixtrans-74.7-21.1177.6-89.4149.1000113.5T692 E693 S699T692-L696 PolarHBondContact O-N 3.15Å; E693-L696 PolarHBondContact O-N 2.99Å; L696-S699 PolarHBondContact O-OG 3.45Å
697R41.2Very low44.7Very low214 Ų214140 Ų14081%0.80868%0.677SS**Hα-helixtrans-81.6-15.1177.8-78.6-175.6169.2-177.1-0.5114.5E693 E694 Q695E693-R697 PolarHBondContact O-N 3.49Å; E694-R697 PolarHBondContact O-N 2.76Å; Q695-R697 VanDerWaalsContact C-N 3.35Å
698S39.3Very low43.4Very low106 Ų106141.9 Ų141.974%0.74170%0.697SS**SBendtrans-86.1-12-179.8-169.80000114.3
699S43Very low42.1Very low88 Ų88146.1 Ų146.162%0.61572%0.717SS**SBendtrans-100.4-3.1-173.149.50000114.9L696L696-S699 PolarHBondContact O-OG 3.45Å
700Q43.3Very low40.9Very low174 Ų174149 Ų14981%0.81373%0.733SS**  trans-107.943.6-179.2-69.9-170.4-500114.3
701R38.3Very low40.3Very low236 Ų236150 Ų15089%0.89175%0.749SS**  trans-117.279.4158.3-86.8-166.5178.2-150.82109.9
702R34.6Very low40.2Very low224 Ų224147.8 Ų147.885%0.84576%0.758SS**  trans-174.1134.7140.3-109.8176.9-101.4-151.5-0.5112
703D30.8Very low40.5Very low149 Ų149153 Ų15380%0.79777%0.769SS**  trans89.9113.5151.9-53.4-31.2000121.3
704V30.5Very low41.1Very low135 Ų135150 Ų15082%0.81876%0.761SS**  trans-133.9154.8156.8169.90000103.6
705P52.5Low42.4Very low109 Ų109151.6 Ų151.671%0.70877%0.765SS**  cis-136.3171.8722.62.5000115.9
706R27.1Very low43.9Very low239 Ų239144.8 Ų144.890%0.90274%0.735SS**  174.7146.5114-104.2177.6166.7168.4-3.7115.7
707T36.9Very low45Very low117 Ų117142.8 Ų142.872%0.71874%0.735SS**  trans-48.5148.5172.445.60000117.7
708T29.6Very low46.5Very low150 Ų150138.4 Ų138.492%0.9272%0.718SS**  178159.5126.327.40000114.3
709Q35Very low47.5Very low198 Ų198138.9 Ų138.993%0.92573%0.728SS**  trans-72.6157.4-167.5-65.6164-900116
710S34.4Very low48.4Very low117 Ų117139.8 Ų139.882%0.81874%0.735SS**  trans-91.5139.6-177.31260000113.8
711T40.7Very low49.4Very low134 Ų134132.6 Ų132.682%0.82270%0.704SS**  trans-126.6137.4159.945.60000110.2
712S50.4Low50.9Low112 Ų112130.5 Ų130.578%0.78370%0.701SS**PPolyproline II helixtrans-81.4142.1-172.452.50000114.7
713R57.4Low52.6Low188 Ų188123 Ų12371%0.70968%0.677SS**PPolyproline II helixtrans-93.9151.4175.5-66.6-177.3-179.9-176.7-0.1113.1I724R713-I724 HydrophobicContact CB-CG2 4.08Å
714P62.7Low54.4Low66 Ų66121 Ų12143%0.42967%0.666SS.*PPolyproline II helixtrans-81.6159.8-176.531.1-33.5000115.6I724 L725P714-I724 WeakPolarHBondContact O-CG2 3.4Å; P714-L725 PolarHBondContact O-N 2.92Å
715K71.8Confident56.1Low159 Ų159115.4 Ų115.469%0.69163%0.631SS**BIsolated β-bridgetrans-101.9158.6-174.9-62.6178-177.2173.70112.8
716C74.7Confident56.5Low11 Ų11114.8 Ų114.87%0.07464%0.635CS.*PPolyproline II helixtrans-62.1140.7176.3175.30000113.1R718 N723 C733C716-R718 PolarHBondContact O-N 3.14Å; C716-N723 VanDerWaalsContact CB-O 3.29Å; C716-N723 WeakPolarHBondContact CB-O 3.05Å; C716-N723 PolarHBondContact N-O 3.37Å; C716-C733 HydrophobicContact CB-CB 4.36Å; C716-C733 PolarHBondContact SG-N 3.18Å; C716-C733 VanDerWaalsContact SG-N 3.37Å
717A71.8Confident57.8Low73 Ų73107 Ų10760%0.60362%0.616SS**SBendtrans-77-12.1-170.300000116A719 E731 L732A717-A719 PolarHBondContact O-N 3.04Å; A717-E731 VanDerWaalsContact CB-O 3.23Å; A717-E731 WeakPolarHBondContact CB-O 3.42Å; A717-E731 PolarHBondContact N-O 2.92Å; A717-L732 HydrophobicContact CB-CD2 4.32Å
718R71.9Confident58.8Low121 Ų121111.6 Ų111.646%0.45762%0.621SS.*SBendtrans-74.4123178.7-162.2172.1-167156.31.7110.5C716 S720 C721 L732 C736C716-R718 PolarHBondContact O-N 3.14Å; R718-S720 PolarHBondContact O-N 3.25Å; R718-C721 HydrophobicContact CB-CB 4.04Å; R718-C721 PolarHBondContact O-N 3.37Å; R718-L732 HydrophobicContact CB-CD2 4.03Å; R718-C736 VanDerWaalsContact CD-SG 3.53Å; R718-C736 PolarHBondContact NH1-O 3.35Å
719A60.6Low60Low116 Ų116109.3 Ų109.396%0.95961%0.611SS**THydrogen-bonded Turntrans-56.2-21-171.400000115.7A717A717-A719 PolarHBondContact O-N 3.04Å
720S60.7Low61.2Low107 Ų107104.2 Ų104.275%0.74859%0.587SS**THydrogen-bonded Turntrans-103.2-1.8177.853.10000114.7R718R718-S720 PolarHBondContact O-N 3.25Å
721C65.5Low62.7Low24 Ų24106.3 Ų106.316%0.16258%0.584CS.*  trans-104.7131.3-178.2-172.90000111.4R718 C733R718-C721 HydrophobicContact CB-CB 4.04Å; R718-C721 PolarHBondContact O-N 3.37Å; C721-C733 PolarHBondContact SG-SG 3.12Å
722K69.4Low64.1Low192 Ų192103.1 Ų103.184%0.83556%0.561SS**  trans-104.88.8-178.9-67.1-175.8-179.7177.50114.2
723N70.9Confident65.3Low65 Ų6598.4 Ų98.435%0.34853%0.528SS..PPolyproline II helixtrans-71.3145.7-176.8-69.6-19000111.8C716 C733 E735C716-N723 VanDerWaalsContact CB-O 3.29Å; C716-N723 WeakPolarHBondContact CB-O 3.05Å; C716-N723 PolarHBondContact N-O 3.37Å; N723-C733 HydrophobicContact CB-CB 4.03Å; N723-E735 PolarHBondContact ND2-OE2 3.41Å
724I68.4Low65.8Low108 Ų10895.7 Ų95.755%0.55453%0.525SS*.BIsolated β-bridgetrans-96.1136.1178.6-60.2174.1000107.9R713 P714R713-I724 HydrophobicContact CB-CG2 4.08Å; P714-I724 WeakPolarHBondContact O-CG2 3.4Å
725L66.1Low65.8Low18 Ų1899.8 Ų99.89%0.09454%0.539CS..PPolyproline II helixtrans-72.5136.2-177.8-67.3156.6000110.3P714 C727 E730P714-L725 PolarHBondContact O-N 2.92Å; L725-C727 VanDerWaalsContact C-N 3.3Å; L725-E730 WeakPolarHBondContact CD1-O 2.86Å; L725-E730 HydrophobicContact CD2-CB 4.33Å; L725-E730 WeakPolarHBondContact CD2-O 3.44Å
726A59.8Low65.7Low96 Ų9693.2 Ų93.279%0.79351%0.513SS*.SBendtrans-72.8-26.5176.700000111.9
727C56.3Low65.5Low74 Ų7496.8 Ų96.850%0.553%0.528SS..SBendtrans-135.6152.5-178.4-143.40000111.7L725 S729L725-C727 VanDerWaalsContact C-N 3.3Å; C727-S729 VanDerWaalsContact C-N 3.25Å; C727-S729 PolarHBondContact O-N 3.47Å
728R56.2Low64.8Low214 Ų214100.7 Ų100.781%0.80853%0.534SS*.THydrogen-bonded Turntrans-76.8-2.2-174.3-79.7-173.1177-171.2-0.5114.9
729S55Low63.7Low102 Ų102100.1 Ų100.171%0.71355%0.546SS*.THydrogen-bonded Turntrans-107.13.8-171.454.70000115C727C727-S729 VanDerWaalsContact C-N 3.25Å; C727-S729 PolarHBondContact O-N 3.47Å
730E61.7Low62.5Low92 Ų92102.4 Ų102.443%0.4354%0.542SS..  trans-120.8138.7-177-66.2-179.2170.500110.9L725L725-E730 WeakPolarHBondContact CD1-O 2.86Å; L725-E730 HydrophobicContact CD2-CB 4.33Å; L725-E730 WeakPolarHBondContact CD2-O 3.44Å
731E65.4Low61.9Low160 Ų160102.3 Ų102.375%0.74854%0.539SS*.SBendtrans-93.4-19.6-176.8-65.9-173.7161.900113.7A717A717-E731 VanDerWaalsContact CB-O 3.23Å; A717-E731 WeakPolarHBondContact CB-O 3.42Å; A717-E731 PolarHBondContact N-O 2.92Å
732L69.6Low60.5Low67 Ų67113.6 Ų113.635%0.35158%0.578SS.*SBendtrans-130.6143.6-176.1-65.6173.3000111.5A717 R718 Q737A717-L732 HydrophobicContact CB-CD2 4.32Å; R718-L732 HydrophobicContact CB-CD2 4.03Å; L732-Q737 HydrophobicContact CB-CG 4.49Å
733C75.7Confident58.8Low13 Ų13114 Ų1149%0.08859%0.585CS.*  trans-76.5157.8176.273.90000112.3C716 C721 N723 E735 C736 Q737C716-C733 HydrophobicContact CB-CB 4.36Å; C716-C733 PolarHBondContact SG-N 3.18Å; C716-C733 VanDerWaalsContact SG-N 3.37Å; C721-C733 PolarHBondContact SG-SG 3.12Å; N723-C733 HydrophobicContact CB-CB 4.03Å; C733-E735 PolarHBondContact O-N 3.05Å; C733-E735 VanDerWaalsContact O-N 3.08Å; C733-C736 PolarHBondContact O-N 3.1Å; C733-C736 VanDerWaalsContact SG-SG 3.7Å; C733-Q737 PolarHBondContact O-N 2.79Å
734M67.2Low56.9Low131 Ų131114.4 Ų114.465%0.64561%0.605SS**G310 helixtrans-53.2-32.7-177.2-66.5-63.6-68.400114.3
735E63.6Low56.2Low152 Ų152115.9 Ų115.971%0.7162%0.621SS**G310 helixtrans-73.5-27.7178.6-65.7173.9165.200112.8N723 C733 Q737N723-E735 PolarHBondContact ND2-OE2 3.41Å; C733-E735 PolarHBondContact O-N 3.05Å; C733-E735 VanDerWaalsContact O-N 3.08Å; E735-Q737 VanDerWaalsContact C-N 3.35Å
736C69.9Low54.5Low22 Ų22118.8 Ų118.815%0.14966%0.656CS.*G310 helixtrans-85.3-9.4179.8-75.90000113.4R718 C733R718-C736 VanDerWaalsContact CD-SG 3.53Å; R718-C736 PolarHBondContact NH1-O 3.35Å; C733-C736 PolarHBondContact O-N 3.1Å; C733-C736 VanDerWaalsContact SG-SG 3.7Å
737Q69.3Low53.3Low85 Ų85118.4 Ų118.440%0.39765%0.652SS.*SBendtrans-82.5-16.6-178.4-75.1177.6-6.600113.6L732 C733 E735L732-Q737 HydrophobicContact CB-CG 4.49Å; C733-Q737 PolarHBondContact O-N 2.79Å; E735-Q737 VanDerWaalsContact C-N 3.35Å
738H57.6Low52.1Low155 Ų155123.5 Ų123.572%0.71867%0.668SS**  trans-135.293.8-176.5-64.2-66.1000114
739P49.3Very low51Low109 Ų109125.2 Ų125.271%0.70868%0.675SS**  trans-93.3134170.232.8-25.9000111.5
740N34.8Very low49.7Very low165 Ų165123.5 Ų123.588%0.88267%0.673SS**  trans-103.5135.7172.9-141.60.9000110.3
741P49.2Very low48.4Very low105 Ų105129 Ų12968%0.68270%0.699SS**  trans-104.1144.2-17036.9-28.5000113.1
742R34.6Very low47Very low260 Ų260127 Ų12798%0.98170%0.7SS**  trans-165.1126.3147.6-106.6164.4-163.4-158.74.2111.7
743M34.3Very low45.4Very low202 Ų202127.8 Ų127.8100%0.99572%0.716SS**  trans-103.7156.1-177.4-106.5156.1153.400110.9
744G30.6Very low43.6Very low73 Ų73133.5 Ų133.575%0.75375%0.753SS**  trans-179.6128.8161.800000113
745P54.3Low42.3Very low138 Ų138136.2 Ų136.290%0.89676%0.764SS**  trans-112156.1-163.339.6-29000115.2
746G29.6Very low41.3Very low80 Ų80135.6 Ų135.683%0.82577%0.766SS**  trans176.1128.116800000114.6
747A35.7Very low40.3Very low87 Ų87139.4 Ų139.472%0.71979%0.79SS**  trans-86.2153.8-176.400000114.1
748H30.8Very low39.5Very low181 Ų181141.3 Ų141.384%0.83881%0.81SS**  trans128.8126.8143.6-76.1-65.2000117.1
749R32.7Very low39.6Very low251 Ų251140.7 Ų140.795%0.94781%0.805SS**  trans75128.9142.6-116.8178.5-169.9-159.53.2119.7
750G28.8Very low40.4Very low66 Ų66142 Ų14268%0.6880%0.802SS**  trans101.8110.5158.200000112.2P752G750-P752 VanDerWaalsContact O-CD 3.23Å; G750-P752 WeakPolarHBondContact O-CD 3.45Å
751E34.2Very low42.5Very low206 Ų206141.7 Ų141.796%0.96379%0.788SS**  trans-72.8125.6155.2-73.5-171.6141.200108.5
752P35.7Very low44.1Very low118 Ų118137.2 Ų137.277%0.76676%0.759SS**  trans-107.2155.4139.315.43.6000109.8G750G750-P752 VanDerWaalsContact O-CD 3.23Å; G750-P752 WeakPolarHBondContact O-CD 3.45Å
753A35.3Very low46.3Very low85 Ų85132.6 Ų132.670%0.70274%0.742SS**  trans-44.7151.8-17900000114.7E755A753-E755 PolarHBondContact O-N 2.95Å; A753-E755 VanDerWaalsContact O-N 3.07Å
754P38.5Very low48.5Very low132 Ų132123.9 Ų123.986%0.85770%0.702SS**  trans-67111.7175.126.5-30.6000110.3
755E39.6Very low50.6Low189 Ų189126.5 Ų126.588%0.88371%0.706SS**PPolyproline II helixtrans-62.1133160.5-73.1-169.2144.100109.7A753A753-E755 PolarHBondContact O-N 2.95Å; A753-E755 VanDerWaalsContact O-N 3.07Å
756D42.7Very low51.4Low138 Ų138125.1 Ų125.174%0.73871%0.706SS**PPolyproline II helixtrans-60.4137.3172.3-88.1-40.3000110.9
757P49.1Very low53.6Low102 Ų102122.3 Ų122.366%0.66267%0.673SS**PPolyproline II helixtrans-64.4153.9175.526.7-32.5000111.5K759P757-K759 PolarHBondContact O-N 3.37Å; P757-K759 VanDerWaalsContact O-N 3.15Å
758P51.9Low55.7Low125 Ų125123.5 Ų123.581%0.81267%0.668SS**PPolyproline II helixtrans-58.4121.3-17321.6-32000111.4Q760P758-Q760 PolarHBondContact O-N 2.93Å; P758-Q760 VanDerWaalsContact O-N 3.14Å
759K59.8Low58Low142 Ų142120.2 Ų120.262%0.61765%0.652SS**  trans-62.3112.5-177.6-64.4176.3-179.2173.50109.9P757 F770P757-K759 PolarHBondContact O-N 3.37Å; P757-K759 VanDerWaalsContact O-N 3.15Å; K759-F770 HydrophobicContact CB-CB 4.02Å; K759-F770 HydrophobicContact CB-CD1 3.37Å; K759-F770 HydrophobicContact CB-CD2 4.47Å; K759-F770 HydrophobicContact CB-CE1 3.9Å; K759-F770 HydrophobicContact CB-CG 3.7Å; K759-F770 HydrophobicContact CD-CD2 4.27Å; K759-F770 HydrophobicContact CD-CG 4.24Å; K759-F770 WeakPolarHBondContact O-CD1 3.23Å
760Q67Low60.3Low138 Ų138113.6 Ų113.665%0.64563%0.631SS**PPolyproline II helixtrans-71.4140.3174.1-70.7-167.6-11.300110.2P758 F770 G771P758-Q760 PolarHBondContact O-N 2.93Å; P758-Q760 VanDerWaalsContact O-N 3.14Å; Q760-F770 CarbonylContact O-C 3.57Å; Q760-F770 WeakPolarHBondContact O-CA 3.38Å; Q760-G771 PolarHBondContact O-N 3.02Å
761R78.9Confident62.8Low158 Ų158111 Ų11160%0.59660%0.604SS**BIsolated β-bridgetrans-64.9149.2174.3-80.2-175.4169.6-129.6-2.8111.1D768R761-D768 IonicContact CZ-OD1 3.68Å; R761-D768 IonicContact NH1-OD1 3.44Å; R761-D768 PolarHBondContact NH1-OD1 3.38Å; R761-D768 IonicContact NH2-OD1 2.73Å
762C81.9Confident65Low10 Ų10103.7 Ų103.77%0.06857%0.572CS.*PPolyproline II helixtrans-57.5136.7177179.20000109.9A764 C767 H769 G777 C779C762-A764 PolarHBondContact O-N 3.41Å; C762-A764 PolarHBondContact SG-N 3.01Å; C762-C767 HydrophobicContact CB-CB 4.01Å; C762-C767 VanDerWaalsContact SG-SG 3.69Å; C762-H769 WeakPolarHBondContact CB-O 3.04Å; C762-H769 PolarHBondContact N-O 3.16Å; C762-G777 WeakPolarHBondContact CA-O 3.49Å; C762-C779 HydrophobicContact CB-CB 4.2Å; C762-C779 PolarHBondContact SG-N 3.04Å
763R81.1Confident67Low163 Ų163102.7 Ų102.762%0.61557%0.573SS**SBendtrans-70.8-6.5178.5-75.6176.9174.9-174.1-8.8114.7N776 G777 Y778R763-N776 PolarHBondContact NH1-O 3.48Å; R763-N776 VanDerWaalsContact NH1-O 3.14Å; R763-G777 WeakPolarHBondContact CG-O 3.46Å; R763-G777 PolarHBondContact N-O 3.17Å; R763-Y778 HydrophobicContact CB-CD1 4.06Å; R763-Y778 HydrophobicContact CB-CD2 4.26Å; R763-Y778 HydrophobicContact CB-CE1 3.78Å; R763-Y778 HydrophobicContact CB-CE2 3.97Å; R763-Y778 HydrophobicContact CB-CG 4.3Å
764A80.7Confident69Low19 Ų19107.9 Ų107.916%0.15758%0.58CS.*SBendtrans-73.2134176.500000110.7C762 A766 C767 Y778 C782C762-A764 PolarHBondContact O-N 3.41Å; C762-A764 PolarHBondContact SG-N 3.01Å; A764-A766 PolarHBondContact O-N 3.4Å; A764-C767 HydrophobicContact CB-CB 3.8Å; A764-C767 WeakPolarHBondContact O-CB 3.3Å; A764-C767 PolarHBondContact O-N 3.05Å; A764-Y778 HydrophobicContact CB-CD1 4.15Å; A764-Y778 HydrophobicContact CB-CE1 4.32Å; A764-C782 HydrophobicContact CB-CB 3.77Å; A764-C782 VanDerWaalsContact CB-SG 3.51Å
765P74.2Confident70.9Confident129 Ų129102.2 Ų102.284%0.83854%0.543SS*.THydrogen-bonded Turntrans-56.6134.5176.6-19.330.1000110.6C767P765-C767 PolarHBondContact O-N 3.34Å
766A71.1Confident72.8Confident109 Ų10998.5 Ų98.590%0.90153%0.529SS*.THydrogen-bonded Turntrans60.620.6-179.300000116A764A764-A766 PolarHBondContact O-N 3.4Å
767C75.4Confident74.6Confident20 Ų2092.4 Ų92.414%0.13550%0.499CS..  trans-95.8116.7171.6-1740000110.8C762 A764 P765 H769C762-C767 HydrophobicContact CB-CB 4.01Å; C762-C767 VanDerWaalsContact SG-SG 3.69Å; A764-C767 HydrophobicContact CB-CB 3.8Å; A764-C767 WeakPolarHBondContact O-CB 3.3Å; A764-C767 PolarHBondContact O-N 3.05Å; P765-C767 PolarHBondContact O-N 3.34Å; C767-H769 VanDerWaalsContact C-N 3.29Å
768D80.1Confident76.1Confident112 Ų11289.8 Ų89.860%0.59948%0.476SS*.  trans-83.4-3.4178-73.3-44.1000113.8R761R761-D768 IonicContact CZ-OD1 3.68Å; R761-D768 IonicContact NH1-OD1 3.44Å; R761-D768 PolarHBondContact NH1-OD1 3.38Å; R761-D768 IonicContact NH2-OD1 2.73Å
769H78.6Confident77.7Confident112 Ų11284.2 Ų84.252%0.51944%0.441SS..SBendtrans-76.4161.6178.9-61.7-74.4000112.3C762 C767 C779C762-H769 WeakPolarHBondContact CB-O 3.04Å; C762-H769 PolarHBondContact N-O 3.16Å; C767-H769 VanDerWaalsContact C-N 3.29Å; H769-C779 HydrophobicContact CB-CB 3.88Å
770F82.6Confident78.5Confident113 Ų11382.4 Ų82.450%0.49644%0.437SS..BIsolated β-bridgetrans-87.2132.7179.6-61.5-77.5000111.7K759 Q760 C779K759-F770 HydrophobicContact CB-CB 4.02Å; K759-F770 HydrophobicContact CB-CD1 3.37Å; K759-F770 HydrophobicContact CB-CD2 4.47Å; K759-F770 HydrophobicContact CB-CE1 3.9Å; K759-F770 HydrophobicContact CB-CG 3.7Å; K759-F770 HydrophobicContact CD-CD2 4.27Å; K759-F770 HydrophobicContact CD-CG 4.24Å; K759-F770 WeakPolarHBondContact O-CD1 3.23Å; Q760-F770 CarbonylContact O-C 3.57Å; Q760-F770 WeakPolarHBondContact O-CA 3.38Å; F770-C779 WeakPolarHBondContact O-CB 3.43Å
771G79.9Confident78.9Confident12 Ų1282.3 Ų82.312%0.12444%0.437CS..PPolyproline II helixtrans-79.4148.5172.800000111.2Q760 G777 Y778Q760-G771 PolarHBondContact O-N 3.02Å; G771-G777 WeakPolarHBondContact CA-O 3.38Å; G771-Y778 WeakPolarHBondContact CA-O 3.25Å
772N80.7Confident78.7Confident52 Ų5276.3 Ų76.328%0.27842%0.419SS..  trans-122158.417571.568000111.4K774 C775 N776 G777 Y778 N780N772-K774 VanDerWaalsContact C-N 3.3Å; N772-K774 PolarHBondContact O-N 3.04Å; N772-K774 WeakPolarHBondContact OD1-CA 3.29Å; N772-K774 WeakPolarHBondContact OD1-CB 3.41Å; N772-K774 PolarHBondContact OD1-N 3.34Å; N772-C775 CarbonylContact O-C 3.59Å; N772-C775 PolarHBondContact O-N 3.47Å; N772-C775 WeakPolarHBondContact OD1-CB 3.45Å; N772-C775 PolarHBondContact OD1-N 3.43Å; N772-N776 PolarHBondContact O-N 2.97Å; N772-G777 PolarHBondContact O-N 3.31Å; N772-Y778 PolarHBondContact N-O 3.13Å; N772-Y778 VanDerWaalsContact N-O 3.16Å; N772-N780 PolarHBondContact ND2-OD1 3.38Å
773A77.1Confident78.7Confident96 Ų9677.9 Ų77.979%0.79343%0.425SS*.G310 helixtrans-66.1-31-177.200000112.9C775 N776A773-C775 PolarHBondContact O-N 3.13Å; A773-N776 PolarHBondContact O-N 3.46Å
774K77.7Confident78.2Confident195 Ų19576 Ų7685%0.84842%0.423SS*.G310 helixtrans-66.8-28.7177.6-63.1-176.6178.9179.40111.9N772N772-K774 VanDerWaalsContact C-N 3.3Å; N772-K774 PolarHBondContact O-N 3.04Å; N772-K774 WeakPolarHBondContact OD1-CA 3.29Å; N772-K774 WeakPolarHBondContact OD1-CB 3.41Å; N772-K774 PolarHBondContact OD1-N 3.34Å
775C78.6Confident77.7Confident13 Ų1381.3 Ų81.39%0.08844%0.443CS..G310 helixtrans-102.926.5178.3-68.10000112.8N772 A773 G777 Y778 N780 F783N772-C775 CarbonylContact O-C 3.59Å; N772-C775 PolarHBondContact O-N 3.47Å; N772-C775 WeakPolarHBondContact OD1-CB 3.45Å; N772-C775 PolarHBondContact OD1-N 3.43Å; A773-C775 PolarHBondContact O-N 3.13Å; C775-G777 PolarHBondContact O-N 3.28Å; C775-G777 VanDerWaalsContact O-N 3.1Å; C775-Y778 WeakPolarHBondContact CB-O 3.32Å; C775-Y778 WeakPolarHBondContact O-CB 3.49Å; C775-Y778 PolarHBondContact O-N 3.17Å; C775-N780 PolarHBondContact SG-OD1 3.48Å; C775-F783 HydrophobicContact CB-CB 3.74Å; C775-F783 HydrophobicContact CB-CD1 4.15Å; C775-F783 HydrophobicContact CB-CD2 3.85Å; C775-F783 HydrophobicContact CB-CE2 4.5Å; C775-F783 HydrophobicContact CB-CG 3.64Å; C775-F783 WeakPolarHBondContact O-CD2 3.34Å
776N80.8Confident77.4Confident110 Ų11079.8 Ų79.859%0.58842%0.423SS*.THydrogen-bonded Turntrans53.132.6177.9-69.6-32.5000114.7R763 N772 A773 F783R763-N776 PolarHBondContact NH1-O 3.48Å; R763-N776 VanDerWaalsContact NH1-O 3.14Å; N772-N776 PolarHBondContact O-N 2.97Å; A773-N776 PolarHBondContact O-N 3.46Å; N776-F783 HydrophobicContact CB-CE2 4.49Å
777G78.9Confident77.3Confident10 Ų1081.2 Ų81.210%0.10341%0.411CS..THydrogen-bonded Turntrans85.67.4-179.100000114.8C762 R763 G771 N772 C775C762-G777 WeakPolarHBondContact CA-O 3.49Å; R763-G777 WeakPolarHBondContact CG-O 3.46Å; R763-G777 PolarHBondContact N-O 3.17Å; G771-G777 WeakPolarHBondContact CA-O 3.38Å; N772-G777 PolarHBondContact O-N 3.31Å; C775-G777 PolarHBondContact O-N 3.28Å; C775-G777 VanDerWaalsContact O-N 3.1Å
778Y81.8Confident76.3Confident47 Ų4786 Ų8618%0.18443%0.432CS..SBendtrans-94.9155.5167.7-64.9-95.8000110.1R763 A764 G771 N772 C775 C782 K786R763-Y778 HydrophobicContact CB-CD1 4.06Å; R763-Y778 HydrophobicContact CB-CD2 4.26Å; R763-Y778 HydrophobicContact CB-CE1 3.78Å; R763-Y778 HydrophobicContact CB-CE2 3.97Å; R763-Y778 HydrophobicContact CB-CG 4.3Å; A764-Y778 HydrophobicContact CB-CD1 4.15Å; A764-Y778 HydrophobicContact CB-CE1 4.32Å; G771-Y778 WeakPolarHBondContact CA-O 3.25Å; N772-Y778 PolarHBondContact N-O 3.13Å; N772-Y778 VanDerWaalsContact N-O 3.16Å; C775-Y778 WeakPolarHBondContact CB-O 3.32Å; C775-Y778 WeakPolarHBondContact O-CB 3.49Å; C775-Y778 PolarHBondContact O-N 3.17Å; Y778-C782 HydrophobicContact CD1-CB 4.1Å; Y778-K786 HydrophobicContact CE1-CD 4.45Å; Y778-K786 HydrophobicContact CE2-CD 4.22Å
779C85.1Confident74.9Confident9 Ų988.7 Ų88.76%0.06144%0.436CS..  trans-69.1162.1164.371.50000108.9C762 H769 F770 E781 C782 F783C762-C779 HydrophobicContact CB-CB 4.2Å; C762-C779 PolarHBondContact SG-N 3.04Å; H769-C779 HydrophobicContact CB-CB 3.88Å; F770-C779 WeakPolarHBondContact O-CB 3.43Å; C779-E781 PolarHBondContact O-N 3.45Å; C779-C782 PolarHBondContact O-N 3Å; C779-C782 PolarHBondContact SG-N 2.81Å; C779-C782 PolarHBondContact SG-SG 3.47Å; C779-F783 VanDerWaalsContact O-CB 3.27Å; C779-F783 WeakPolarHBondContact O-CB 3.48Å; C779-F783 PolarHBondContact O-N 3.3Å
780N77.3Confident73.6Confident103 Ų10388.7 Ų88.755%0.55147%0.465SS*.Hα-helixtrans-56.2-40.7-175.9-63.8-23.2000111.6N772 C775 F783 Q784N772-N780 PolarHBondContact ND2-OD1 3.38Å; C775-N780 PolarHBondContact SG-OD1 3.48Å; N780-F783 PolarHBondContact O-N 3.4Å; N780-Q784 WeakPolarHBondContact O-CB 3.15Å; N780-Q784 PolarHBondContact O-N 3.34Å
781E75.3Confident73.1Confident137 Ų13787.5 Ų87.564%0.6446%0.464SS*.Hα-helixtrans-67.4-50179.7-66.6179.6176.100112.6C779 F783 Q784 F785C779-E781 PolarHBondContact O-N 3.45Å; E781-F783 PolarHBondContact O-N 3.3Å; E781-Q784 PolarHBondContact O-N 3.42Å; E781-F785 WeakPolarHBondContact O-CB 3.36Å; E781-F785 PolarHBondContact O-N 3.29Å
782C73.9Confident72.7Confident31 Ų3191.4 Ų91.421%0.20948%0.482CS..Hα-helixtrans-66.3-29.2177.9-66.20000112.3A764 Y778 C779 K786A764-C782 HydrophobicContact CB-CB 3.77Å; A764-C782 VanDerWaalsContact CB-SG 3.51Å; Y778-C782 HydrophobicContact CD1-CB 4.1Å; C779-C782 PolarHBondContact O-N 3Å; C779-C782 PolarHBondContact SG-N 2.81Å; C779-C782 PolarHBondContact SG-SG 3.47Å; C782-K786 WeakPolarHBondContact O-CB 3.45Å; C782-K786 PolarHBondContact O-N 3.09Å
783F81.7Confident72.3Confident43 Ų4393.6 Ų93.619%0.18949%0.493CS..Hα-helixtrans-69.2-42174.1-173.8-104.8000111.7C775 N776 C779 N780 E781 K786 Q787C775-F783 HydrophobicContact CB-CB 3.74Å; C775-F783 HydrophobicContact CB-CD1 4.15Å; C775-F783 HydrophobicContact CB-CD2 3.85Å; C775-F783 HydrophobicContact CB-CE2 4.5Å; C775-F783 HydrophobicContact CB-CG 3.64Å; C775-F783 WeakPolarHBondContact O-CD2 3.34Å; N776-F783 HydrophobicContact CB-CE2 4.49Å; C779-F783 VanDerWaalsContact O-CB 3.27Å; C779-F783 WeakPolarHBondContact O-CB 3.48Å; C779-F783 PolarHBondContact O-N 3.3Å; N780-F783 PolarHBondContact O-N 3.4Å; E781-F783 PolarHBondContact O-N 3.3Å; F783-K786 PolarHBondContact O-N 3.34Å; F783-Q787 HydrophobicContact CE1-CG 4.33Å; F783-Q787 VanDerWaalsContact CE1-NE2 3.29Å; F783-Q787 PolarHBondContact O-N 3.25Å
784Q71.3Confident72Confident123 Ų12393.5 Ų93.558%0.57548%0.475SS*.Hα-helixtrans-69.5-41.2177.7-151.1170.318.800111.1N780 E781 K786 Q787 M788N780-Q784 WeakPolarHBondContact O-CB 3.15Å; N780-Q784 PolarHBondContact O-N 3.34Å; E781-Q784 PolarHBondContact O-N 3.42Å; Q784-K786 VanDerWaalsContact C-N 3.34Å; Q784-K786 PolarHBondContact O-N 3.09Å; Q784-Q787 PolarHBondContact O-N 3.05Å; Q784-Q787 VanDerWaalsContact O-N 3.14Å; Q784-M788 WeakPolarHBondContact O-CG 3.42Å; Q784-M788 PolarHBondContact O-N 3.14Å
785F69Low71.7Confident132 Ų13287.1 Ų87.158%0.57945%0.452SS*.Hα-helixtrans-60.5-43.8172.5-165.8-87.8000111.6E781 Q787 M788 Y789E781-F785 WeakPolarHBondContact O-CB 3.36Å; E781-F785 PolarHBondContact O-N 3.29Å; F785-Q787 VanDerWaalsContact C-N 3.33Å; F785-Q787 PolarHBondContact O-N 3.06Å; F785-M788 PolarHBondContact O-N 3.08Å; F785-Y789 HydrophobicContact CD1-CD2 4.16Å; F785-Y789 AromaticContact CD2-CD2 3.8Å; F785-Y789 HydrophobicContact CD2-CD2 3.8Å; F785-Y789 AromaticContact CD2-CE2 4Å; F785-Y789 HydrophobicContact CD2-CE2 4Å; F785-Y789 HydrophobicContact CE1-CD2 4.03Å; F785-Y789 AromaticContact CE2-CD2 3.66Å; F785-Y789 HydrophobicContact CE2-CD2 3.66Å; F785-Y789 AromaticContact CE2-CE2 3.79Å; F785-Y789 HydrophobicContact CE2-CE2 3.79Å; F785-Y789 HydrophobicContact CG-CD2 4.05Å; F785-Y789 AromaticContact CZ-CD2 3.78Å; F785-Y789 HydrophobicContact CZ-CD2 3.78Å; F785-Y789 HydrophobicContact CZ-CE2 4.29Å; F785-Y789 HydrophobicContact CZ-CG 4.41Å; F785-Y789 PolarHBondContact O-N 2.94Å
786K68.3Low71.2Confident97 Ų9792.1 Ų92.142%0.42248%0.477SS..Hα-helixtrans-62.4-36.9173.3-177.2178.7179176.90112.6Y778 C782 F783 Q784 G790Y778-K786 HydrophobicContact CE1-CD 4.45Å; Y778-K786 HydrophobicContact CE2-CD 4.22Å; C782-K786 WeakPolarHBondContact O-CB 3.45Å; C782-K786 PolarHBondContact O-N 3.09Å; F783-K786 PolarHBondContact O-N 3.34Å; Q784-K786 VanDerWaalsContact C-N 3.34Å; Q784-K786 PolarHBondContact O-N 3.09Å; K786-G790 WeakPolarHBondContact O-CA 3.43Å; K786-G790 PolarHBondContact O-N 3.35Å
787Q69.9Low70.5Confident139 Ų13990.8 Ų90.865%0.6547%0.469SS*.Hα-helixtrans-70.9-31.3176.6-80.8-166.8-10.500113.3F783 Q784 F785F783-Q787 HydrophobicContact CE1-CG 4.33Å; F783-Q787 VanDerWaalsContact CE1-NE2 3.29Å; F783-Q787 PolarHBondContact O-N 3.25Å; Q784-Q787 PolarHBondContact O-N 3.05Å; Q784-Q787 VanDerWaalsContact O-N 3.14Å; F785-Q787 VanDerWaalsContact C-N 3.33Å; F785-Q787 PolarHBondContact O-N 3.06Å
788M54.2Low69.9Low119 Ų11997 Ų9759%0.58650%0.497SS*.Hα-helixtrans-83.9-30.5-179-68.4-169.9-55.600113.1Q784 F785Q784-M788 WeakPolarHBondContact O-CG 3.42Å; Q784-M788 PolarHBondContact O-N 3.14Å; F785-M788 PolarHBondContact O-N 3.08Å
789Y50.3Low68.9Low170 Ų170101.2 Ų101.267%0.66752%0.523SS*.Hα-helixtrans-132.1-3.6-169-57.7-70.7000115.3F785F785-Y789 HydrophobicContact CD1-CD2 4.16Å; F785-Y789 AromaticContact CD2-CD2 3.8Å; F785-Y789 HydrophobicContact CD2-CD2 3.8Å; F785-Y789 AromaticContact CD2-CE2 4Å; F785-Y789 HydrophobicContact CD2-CE2 4Å; F785-Y789 HydrophobicContact CE1-CD2 4.03Å; F785-Y789 AromaticContact CE2-CD2 3.66Å; F785-Y789 HydrophobicContact CE2-CD2 3.66Å; F785-Y789 AromaticContact CE2-CE2 3.79Å; F785-Y789 HydrophobicContact CE2-CE2 3.79Å; F785-Y789 HydrophobicContact CG-CD2 4.05Å; F785-Y789 AromaticContact CZ-CD2 3.78Å; F785-Y789 HydrophobicContact CZ-CD2 3.78Å; F785-Y789 HydrophobicContact CZ-CE2 4.29Å; F785-Y789 HydrophobicContact CZ-CG 4.41Å; F785-Y789 PolarHBondContact O-N 2.94Å
790G50.5Low67.4Low111 Ų111109.5 Ų109.5100%1.14457%0.565SS**  trans-1130-169.800000115.9K786K786-G790 WeakPolarHBondContact O-CA 3.43Å; K786-G790 PolarHBondContact O-N 3.35Å

Retrieved 790 of 790 residues in 208.5 ms (Link to these results)

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