A0A087YAM3_POEFO Loading...

Uncharacterized protein

AlphaFold DB (A0A3B3V1V6), UniProt , Accession A0A087YAM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 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
1M61.2Low84Confident116 Ų11668.5 Ų68.557%0.57133%0.332SS*.  0-760-68.7-157.168.800112.9R3 E4 E5 K287M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.22Å; M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 2.92Å; M1-E4 PolarHBondContact O-N 3.47Å; M1-E5 PolarHBondContact O-N 3.33Å; M1-E5 VanDerWaalsContact O-N 3.13Å; M1-K287 HydrophobicContact CE-CD 3.46Å; M1-K287 VanDerWaalsContact CE-CD 3.46Å; M1-K287 HydrophobicContact CE-CG 4.32Å; M1-K287 PolarHBondContact SD-NZ 3.11Å; M1-K287 VanDerWaalsContact SD-NZ 3.4Å
2V65.4Low84.9Confident73 Ų7365.8 Ų65.844%0.44232%0.32SS..Hα-helixtrans-51.2-46.9-178.2179.50000113.2E4 L6 D288V2-E4 VanDerWaalsContact C-N 3.34Å; V2-E4 PolarHBondContact O-N 2.61Å; V2-L6 WeakPolarHBondContact O-CB 3.4Å; V2-L6 PolarHBondContact O-N 2.92Å; V2-D288 HydrophobicContact CB-CB 4.13Å; V2-D288 HydrophobicContact CG1-CB 4.13Å; V2-D288 HydrophobicContact CG2-CB 3.99Å
3R75.8Confident85.6Confident71 Ų7169.2 Ų69.227%0.26834%0.335SS..Hα-helixtrans-68.8-29.8-180-166.7173.1178.8167.6-0.4113.7M1 T7 I213 R214M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.22Å; R3-T7 VanDerWaalsContact O-CB 3.26Å; R3-T7 WeakPolarHBondContact O-CB 3.37Å; R3-T7 PolarHBondContact O-N 3.11Å; R3-T7 PolarHBondContact O-OG1 2.71Å; R3-I213 HydrophobicContact CG-CG2 4.38Å; R3-R214 PolarHBondContact NH2-O 3.24Å
4E83.1Confident86.4Confident125 Ų12568.8 Ų68.858%0.58433%0.332SS*.Hα-helixtrans-76.3-44-177.7-68.6159.8150.500111M1 V2 T7 F8M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 2.92Å; M1-E4 PolarHBondContact O-N 3.47Å; V2-E4 VanDerWaalsContact C-N 3.34Å; V2-E4 PolarHBondContact O-N 2.61Å; E4-T7 PolarHBondContact O-N 3.22Å; E4-F8 WeakPolarHBondContact O-CB 3.42Å; E4-F8 PolarHBondContact O-N 2.98Å
5E88.8Confident87.1Confident47 Ų4764.7 Ų64.722%0.2231%0.312CS..Hα-helixtrans-68-43178.2-67.2-176.2-179.900111.5M1 T7 F8 R9 K287 D288M1-E5 PolarHBondContact O-N 3.33Å; M1-E5 VanDerWaalsContact O-N 3.13Å; E5-T7 VanDerWaalsContact C-N 3.34Å; E5-T7 PolarHBondContact O-N 3.33Å; E5-F8 WeakPolarHBondContact O-CB 3Å; E5-F8 PolarHBondContact O-N 2.64Å; E5-R9 PolarHBondContact O-N 2.68Å; E5-K287 WeakPolarHBondContact OE1-CB 3.25Å; E5-K287 WeakPolarHBondContact OE2-CA 3.42Å; E5-K287 PolarHBondContact OE2-N 3.48Å; E5-D288 PolarHBondContact OE2-N 3.04Å
6L90.5Very high87.6Confident2 Ų261.6 Ų61.61%0.0130%0.297CS..Hα-helixtrans-59.9-44.1171.9179.861.1000111.9V2 F8 R9 L10 I213 V242 E246V2-L6 WeakPolarHBondContact O-CB 3.4Å; V2-L6 PolarHBondContact O-N 2.92Å; L6-F8 VanDerWaalsContact C-N 3.31Å; L6-F8 PolarHBondContact O-N 2.86Å; L6-R9 PolarHBondContact O-N 3.32Å; L6-L10 HydrophobicContact CD1-CD1 3.91Å; L6-L10 HydrophobicContact CD1-CG 4.11Å; L6-L10 HydrophobicContact CD2-CD1 4.47Å; L6-L10 HydrophobicContact CG-CD1 3.79Å; L6-L10 HydrophobicContact CG-CG 4.38Å; L6-L10 VanDerWaalsContact O-CG 3.24Å; L6-L10 WeakPolarHBondContact O-CG 3.1Å; L6-L10 PolarHBondContact O-N 3.15Å; L6-I213 HydrophobicContact CD2-CD1 3.68Å; L6-I213 HydrophobicContact CG-CD1 3.88Å; L6-V242 HydrophobicContact CD1-CG1 4.36Å; L6-V242 HydrophobicContact CD2-CB 4.49Å; L6-V242 HydrophobicContact CD2-CG1 4.49Å; L6-E246 WeakPolarHBondContact CD1-OE1 3.35Å
7T89.8Confident88.2Confident21 Ų2158.9 Ų58.913%0.12928%0.284CS..Hα-helixtrans-61.7-41176.6-600000111.1R3 E4 E5 R9 L10 N11 V215R3-T7 VanDerWaalsContact O-CB 3.26Å; R3-T7 WeakPolarHBondContact O-CB 3.37Å; R3-T7 PolarHBondContact O-N 3.11Å; R3-T7 PolarHBondContact O-OG1 2.71Å; E4-T7 PolarHBondContact O-N 3.22Å; E5-T7 VanDerWaalsContact C-N 3.34Å; E5-T7 PolarHBondContact O-N 3.33Å; T7-R9 PolarHBondContact O-N 2.97Å; T7-L10 PolarHBondContact O-N 2.91Å; T7-N11 PolarHBondContact O-N 3.34Å; T7-N11 VanDerWaalsContact O-N 3.1Å; T7-N11 PolarHBondContact O-ND2 3.42Å; T7-V215 HydrophobicContact CG2-CG2 4.07Å
8F90.6Very high88.7Confident160 Ų16055.6 Ų55.670%0.70227%0.268SS*.Hα-helixtrans-59.8-44.8176.6-179.5-96000111.9E4 E5 L6 N11E4-F8 WeakPolarHBondContact O-CB 3.42Å; E4-F8 PolarHBondContact O-N 2.98Å; E5-F8 WeakPolarHBondContact O-CB 3Å; E5-F8 PolarHBondContact O-N 2.64Å; L6-F8 VanDerWaalsContact C-N 3.31Å; L6-F8 PolarHBondContact O-N 2.86Å; F8-N11 WeakPolarHBondContact O-CB 3.48Å; F8-N11 PolarHBondContact O-N 3.46Å
9R93.4Very high89.2Confident13 Ų1352.7 Ų52.75%0.04925%0.254CS..Hα-helixtrans-63.8-40175.2-67-172.1-66.2-86.95112.2E5 L6 T7 N11 D12 Y15 E246 N286 D288E5-R9 PolarHBondContact O-N 2.68Å; L6-R9 PolarHBondContact O-N 3.32Å; T7-R9 PolarHBondContact O-N 2.97Å; R9-N11 PolarHBondContact O-N 2.89Å; R9-D12 WeakPolarHBondContact O-CB 3.38Å; R9-D12 PolarHBondContact O-N 3.09Å; R9-D12 VanDerWaalsContact O-N 3.11Å; R9-Y15 HydrophobicContact CB-CD1 3.83Å; R9-Y15 HydrophobicContact CB-CE1 3.74Å; R9-Y15 HydrophobicContact CB-CG 4.42Å; R9-Y15 WeakPolarHBondContact O-CD1 3.05Å; R9-E246 IonicContact CZ-OE1 3.8Å; R9-E246 IonicContact CZ-OE2 2.74Å; R9-E246 IonicContact NE-OE1 3.89Å; R9-E246 PolarHBondContact NE-OE1 3.34Å; R9-E246 IonicContact NE-OE2 3.36Å; R9-E246 IonicContact NH2-OE1 2.96Å; R9-E246 PolarHBondContact NH2-OE1 3.48Å; R9-E246 IonicContact NH2-OE2 3.31Å; R9-E246 PolarHBondContact NH2-OE2 2.82Å; R9-N286 WeakPolarHBondContact CD-OD1 3.36Å; R9-N286 PolarHBondContact NH1-OD1 3.2Å; R9-D288 IonicContact CZ-OD1 3.96Å; R9-D288 IonicContact CZ-OD2 2.72Å; R9-D288 IonicContact NH1-OD1 2.96Å; R9-D288 PolarHBondContact NH1-OD1 3.48Å; R9-D288 IonicContact NH1-OD2 2.72Å; R9-D288 IonicContact NH2-OD1 3.6Å; R9-D288 PolarHBondContact NH2-OD1 3.31Å; R9-D288 IonicContact NH2-OD2 2.8Å; R9-D288 PolarHBondContact NH2-OD2 2.92Å
10L93.5Very high89.6Confident4 Ų451.6 Ų51.62%0.02125%0.248CC..Hα-helixtrans-74.4-8.2-179.6-64.4171.5000114.3L6 T7 D12 Y15 K16 L19 L211 I213 V242L6-L10 HydrophobicContact CD1-CD1 3.91Å; L6-L10 HydrophobicContact CD1-CG 4.11Å; L6-L10 HydrophobicContact CD2-CD1 4.47Å; L6-L10 HydrophobicContact CG-CD1 3.79Å; L6-L10 HydrophobicContact CG-CG 4.38Å; L6-L10 VanDerWaalsContact O-CG 3.24Å; L6-L10 WeakPolarHBondContact O-CG 3.1Å; L6-L10 PolarHBondContact O-N 3.15Å; T7-L10 PolarHBondContact O-N 2.91Å; L10-D12 PolarHBondContact O-N 3.44Å; L10-Y15 HydrophobicContact CD2-CD1 4.4Å; L10-K16 HydrophobicContact CB-CG 4.43Å; L10-K16 HydrophobicContact CD2-CG 3.92Å; L10-K16 WeakPolarHBondContact O-CD 3.36Å; L10-K16 WeakPolarHBondContact O-CE 3.2Å; L10-L19 HydrophobicContact CD2-CD2 4.11Å; L10-L211 HydrophobicContact CD2-CB 4.19Å; L10-L211 HydrophobicContact CD2-CD1 4.33Å; L10-I213 HydrophobicContact CD1-CD1 3.38Å; L10-I213 HydrophobicContact CD1-CG1 3.74Å; L10-V242 HydrophobicContact CD1-CG1 3.82Å; L10-V242 HydrophobicContact CD2-CG1 4.11Å
11N92.4Very high90Very high122 Ų12249.1 Ų49.165%0.65224%0.236SC*.THydrogen-bonded Turntrans-73.4-11.2167.4-71.5-28000112.8T7 F8 R9T7-N11 PolarHBondContact O-N 3.34Å; T7-N11 VanDerWaalsContact O-N 3.1Å; T7-N11 PolarHBondContact O-ND2 3.42Å; F8-N11 WeakPolarHBondContact O-CB 3.48Å; F8-N11 PolarHBondContact O-N 3.46Å; R9-N11 PolarHBondContact O-N 2.89Å
12D94.4Very high91.7Very high36 Ų3643.6 Ų43.619%0.19321%0.209CC..  trans-92.2117.7173.6-173.3-35.1000110.3R9 L10 E14 Y15 K16 R170R9-D12 WeakPolarHBondContact O-CB 3.38Å; R9-D12 PolarHBondContact O-N 3.09Å; R9-D12 VanDerWaalsContact O-N 3.11Å; L10-D12 PolarHBondContact O-N 3.44Å; D12-E14 VanDerWaalsContact C-N 3.35Å; D12-E14 PolarHBondContact O-N 3.46Å; D12-E14 PolarHBondContact OD1-N 3.02Å; D12-Y15 PolarHBondContact O-N 2.65Å; D12-Y15 PolarHBondContact OD1-N 3.07Å; D12-Y15 VanDerWaalsContact OD1-N 3.12Å; D12-K16 PolarHBondContact O-N 3.2Å; D12-R170 IonicContact OD2-CZ 3.04Å; D12-R170 IonicContact OD2-NE 2.65Å; D12-R170 PolarHBondContact OD2-NE 2.76Å; D12-R170 IonicContact OD2-NH1 3.02Å; D12-R170 IonicContact OD2-NH2 3.89Å; D12-R170 PolarHBondContact OD2-NH2 2.72Å
13E94.8Very high93.3Very high110 Ų11042.3 Ų42.351%0.51420%0.196SC..Hα-helixtrans-64-38179.4-66-58.4149.800112.7Y15 K16 N17E13-Y15 VanDerWaalsContact C-N 3.31Å; E13-Y15 PolarHBondContact O-N 2.92Å; E13-K16 PolarHBondContact O-N 3.13Å; E13-K16 WeakPolarHBondContact OE1-CE 3.43Å; E13-K16 IonicContact OE1-NZ 3.25Å; E13-K16 PolarHBondContact OE1-NZ 3.12Å; E13-K16 WeakPolarHBondContact OE2-CE 3.13Å; E13-K16 IonicContact OE2-NZ 2.68Å; E13-K16 PolarHBondContact OE2-NZ 3.28Å; E13-N17 PolarHBondContact O-N 2.77Å
14E96.4Very high94.3Very high63 Ų6338.9 Ų38.929%0.29418%0.183SC..Hα-helixtrans-71.6-32.1-179.8-60.9-169.3166.800111.1D12 N17 W18 R170 V171D12-E14 VanDerWaalsContact C-N 3.35Å; D12-E14 PolarHBondContact O-N 3.46Å; D12-E14 PolarHBondContact OD1-N 3.02Å; E14-N17 PolarHBondContact O-N 3.32Å; E14-W18 WeakPolarHBondContact O-CB 3.49Å; E14-W18 PolarHBondContact O-N 3.16Å; E14-R170 HydrophobicContact CB-CB 3.69Å; E14-R170 HydrophobicContact CB-CG 3.9Å; E14-R170 WeakPolarHBondContact O-CA 3.37Å; E14-V171 WeakPolarHBondContact CA-O 3.42Å; E14-V171 WeakPolarHBondContact CB-O 3.38Å; E14-V171 PolarHBondContact O-N 2.72Å
15Y96.4Very high95Very high7 Ų733.2 Ų33.23%0.02716%0.157CC..Hα-helixtrans-66.2-44.6171.1-170.6-97000111.8R9 L10 D12 E13 N17 W18 L19 F169 E246 F282R9-Y15 HydrophobicContact CB-CD1 3.83Å; R9-Y15 HydrophobicContact CB-CE1 3.74Å; R9-Y15 HydrophobicContact CB-CG 4.42Å; R9-Y15 WeakPolarHBondContact O-CD1 3.05Å; L10-Y15 HydrophobicContact CD2-CD1 4.4Å; D12-Y15 PolarHBondContact O-N 2.65Å; D12-Y15 PolarHBondContact OD1-N 3.07Å; D12-Y15 VanDerWaalsContact OD1-N 3.12Å; E13-Y15 VanDerWaalsContact C-N 3.31Å; E13-Y15 PolarHBondContact O-N 2.92Å; Y15-N17 VanDerWaalsContact C-N 3.3Å; Y15-N17 PolarHBondContact O-N 2.87Å; Y15-W18 HydrophobicContact CD2-CE3 4.37Å; Y15-W18 AromaticContact CE2-CE3 3.89Å; Y15-W18 HydrophobicContact CE2-CE3 3.89Å; Y15-W18 HydrophobicContact CE2-CZ3 4.03Å; Y15-W18 AromaticContact CZ-CZ3 3.99Å; Y15-W18 WeakPolarHBondContact O-CB 3.47Å; Y15-W18 PolarHBondContact O-N 2.76Å; Y15-W18 VanDerWaalsContact O-N 3.15Å; Y15-L19 PolarHBondContact O-N 3.42Å; Y15-F169 HydrophobicContact CD2-CB 4.25Å; Y15-F169 WeakPolarHBondContact CD2-O 3.27Å; Y15-F169 HydrophobicContact CE2-CB 3.98Å; Y15-E246 WeakPolarHBondContact OH-CG 3.36Å; Y15-E246 PolarHBondContact OH-OE1 2.83Å; Y15-F282 HydrophobicContact CE2-CE2 4.32Å; Y15-F282 AromaticContact CE2-CZ 3.78Å; Y15-F282 HydrophobicContact CE2-CZ 3.78Å
16K96.1Very high95.4Very high16 Ų1631.6 Ų31.67%0.0715%0.15CC..Hα-helixtrans-58.5-43.2174.4-78.2-174-72.3-175.90111.7L10 D12 E13 W18 L19 K20 L211L10-K16 HydrophobicContact CB-CG 4.43Å; L10-K16 HydrophobicContact CD2-CG 3.92Å; L10-K16 WeakPolarHBondContact O-CD 3.36Å; L10-K16 WeakPolarHBondContact O-CE 3.2Å; D12-K16 PolarHBondContact O-N 3.2Å; E13-K16 PolarHBondContact O-N 3.13Å; E13-K16 WeakPolarHBondContact OE1-CE 3.43Å; E13-K16 IonicContact OE1-NZ 3.25Å; E13-K16 PolarHBondContact OE1-NZ 3.12Å; E13-K16 WeakPolarHBondContact OE2-CE 3.13Å; E13-K16 IonicContact OE2-NZ 2.68Å; E13-K16 PolarHBondContact OE2-NZ 3.28Å; K16-W18 VanDerWaalsContact C-N 3.34Å; K16-L19 PolarHBondContact O-N 2.9Å; K16-K20 WeakPolarHBondContact O-CB 3.22Å; K16-K20 VanDerWaalsContact O-CG 3.3Å; K16-K20 WeakPolarHBondContact O-CG 3.4Å; K16-K20 PolarHBondContact O-N 3.45Å; K16-L211 HydrophobicContact CB-CD1 4.16Å; K16-L211 HydrophobicContact CD-CB 3.98Å; K16-L211 HydrophobicContact CG-CB 4.16Å; K16-L211 HydrophobicContact CG-CD1 4.15Å
17N97Very high95.8Very high15 Ų1532.4 Ų32.48%0.0815%0.154CC..Hα-helixtrans-61.4-43.9175.4-74.9-23.3000111.7E13 E14 Y15 L19 K20 A21 V171 D173 M176E13-N17 PolarHBondContact O-N 2.77Å; E14-N17 PolarHBondContact O-N 3.32Å; Y15-N17 VanDerWaalsContact C-N 3.3Å; Y15-N17 PolarHBondContact O-N 2.87Å; N17-L19 VanDerWaalsContact C-N 3.34Å; N17-L19 PolarHBondContact O-N 3.49Å; N17-K20 PolarHBondContact O-N 3.49Å; N17-A21 VanDerWaalsContact O-CB 3.32Å; N17-A21 WeakPolarHBondContact O-CB 3.46Å; N17-A21 PolarHBondContact O-N 3.16Å; N17-V171 HydrophobicContact CB-CG2 3.52Å; N17-V171 WeakPolarHBondContact CB-O 3.24Å; N17-V171 PolarHBondContact ND2-O 3.37Å; N17-D173 PolarHBondContact ND2-OD1 3.02Å; N17-M176 HydrophobicContact CB-CG 4.37Å; N17-M176 HydrophobicContact CB-SD 4.21Å
18W97.7Very high96.2Very high0 Ų031.4 Ų31.40%015%0.148CC..Hα-helixtrans-60.8-45.6178.8173.789000111E14 Y15 K16 A21 G22 L163 F169 V171 L249 L250 M253E14-W18 WeakPolarHBondContact O-CB 3.49Å; E14-W18 PolarHBondContact O-N 3.16Å; Y15-W18 HydrophobicContact CD2-CE3 4.37Å; Y15-W18 AromaticContact CE2-CE3 3.89Å; Y15-W18 HydrophobicContact CE2-CE3 3.89Å; Y15-W18 HydrophobicContact CE2-CZ3 4.03Å; Y15-W18 AromaticContact CZ-CZ3 3.99Å; Y15-W18 WeakPolarHBondContact O-CB 3.47Å; Y15-W18 PolarHBondContact O-N 2.76Å; Y15-W18 VanDerWaalsContact O-N 3.15Å; K16-W18 VanDerWaalsContact C-N 3.34Å; W18-A21 PolarHBondContact O-N 3.37Å; W18-G22 PolarHBondContact O-N 3.19Å; W18-L163 HydrophobicContact CG-CD1 4.06Å; W18-L163 PolarHBondContact NE1-O 3.18Å; W18-F169 VanDerWaalsContact CB-O 3.24Å; W18-F169 WeakPolarHBondContact CB-O 3.03Å; W18-F169 HydrophobicContact CD2-CB 4.06Å; W18-F169 HydrophobicContact CE3-CB 4.26Å; W18-F169 VanDerWaalsContact CG-C 3.42Å; W18-F169 VanDerWaalsContact CG-O 3.24Å; W18-F169 HydrophobicContact CH2-CD1 4.1Å; W18-F169 HydrophobicContact CZ2-CB 4.4Å; W18-F169 AromaticContact CZ2-CD1 3.75Å; W18-F169 HydrophobicContact CZ2-CD1 3.75Å; W18-F169 HydrophobicContact CZ3-CB 4.5Å; W18-V171 HydrophobicContact CB-CG1 4.39Å; W18-V171 HydrophobicContact CB-CG2 4.22Å; W18-L249 HydrophobicContact CD2-CD2 4.2Å; W18-L249 HydrophobicContact CE3-CD2 4.02Å; W18-L249 HydrophobicContact CH2-CB 4.42Å; W18-L249 HydrophobicContact CH2-CD2 3.32Å; W18-L249 HydrophobicContact CH2-CG 3.65Å; W18-L249 HydrophobicContact CZ2-CD2 3.49Å; W18-L249 VanDerWaalsContact CZ2-CD2 3.49Å; W18-L249 HydrophobicContact CZ2-CG 3.76Å; W18-L249 HydrophobicContact CZ3-CD2 3.61Å; W18-L249 HydrophobicContact CZ3-CG 4.38Å; W18-L250 HydrophobicContact CH2-CD2 3.92Å; W18-L250 HydrophobicContact CH2-CG 4.3Å; W18-M253 HydrophobicContact CH2-SD 4.22Å; W18-M253 HydrophobicContact CZ2-CE 4.42Å; W18-M253 HydrophobicContact CZ2-SD 3.5Å; W18-M253 WeakPolarHBondContact CZ2-SD 3.25Å
19L97.3Very high96.5Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-64.6-44178.1-177.255.6000112.4L10 Y15 K16 N17 A21 G22 R23 L211 V242 W245 E246 L249L10-L19 HydrophobicContact CD2-CD2 4.11Å; Y15-L19 PolarHBondContact O-N 3.42Å; K16-L19 PolarHBondContact O-N 2.9Å; N17-L19 VanDerWaalsContact C-N 3.34Å; N17-L19 PolarHBondContact O-N 3.49Å; L19-A21 PolarHBondContact O-N 3.23Å; L19-G22 PolarHBondContact O-N 3.13Å; L19-R23 WeakPolarHBondContact O-CB 3.2Å; L19-R23 PolarHBondContact O-N 3.31Å; L19-L211 HydrophobicContact CD2-CD1 4.25Å; L19-V242 HydrophobicContact CD2-CG1 3.63Å; L19-W245 HydrophobicContact CD1-CB 4.31Å; L19-E246 HydrophobicContact CD1-CB 4.09Å; L19-E246 HydrophobicContact CD2-CB 4.43Å; L19-L249 HydrophobicContact CD1-CD2 4.16Å
20K97.6Very high96.6Very high30 Ų3029 Ų2913%0.1314%0.141CC..Hα-helixtrans-59.7-46174.6-74.4176.6176.6-172.30111.6K16 N17 R23 C24 M206 L207 V209 L211K16-K20 WeakPolarHBondContact O-CB 3.22Å; K16-K20 VanDerWaalsContact O-CG 3.3Å; K16-K20 WeakPolarHBondContact O-CG 3.4Å; K16-K20 PolarHBondContact O-N 3.45Å; N17-K20 PolarHBondContact O-N 3.49Å; K20-R23 PolarHBondContact O-N 3.09Å; K20-C24 PolarHBondContact O-N 3.18Å; K20-C24 PolarHBondContact O-SG 3.34Å; K20-M206 HydrophobicContact CG-CE 3.93Å; K20-L207 PolarHBondContact NZ-O 3.24Å; K20-V209 WeakPolarHBondContact CE-O 3.31Å; K20-V209 PolarHBondContact NZ-O 3.33Å; K20-L211 HydrophobicContact CD-CD1 4.48Å; K20-L211 HydrophobicContact CG-CD1 3.83Å; K20-L211 HydrophobicContact CG-CG 4.49Å
21A98.1Very high96.8Very high0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-62-47.7179.600000111.2N17 W18 L19 R23 C24 L25 L163 W175 M176 Y179N17-A21 VanDerWaalsContact O-CB 3.32Å; N17-A21 WeakPolarHBondContact O-CB 3.46Å; N17-A21 PolarHBondContact O-N 3.16Å; W18-A21 PolarHBondContact O-N 3.37Å; L19-A21 PolarHBondContact O-N 3.23Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.47Å; A21-C24 WeakPolarHBondContact O-CB 3.3Å; A21-C24 PolarHBondContact O-N 3.06Å; A21-L25 PolarHBondContact O-N 2.85Å; A21-L163 HydrophobicContact CB-CD1 3.74Å; A21-L163 HydrophobicContact CB-CD2 3.9Å; A21-L163 HydrophobicContact CB-CG 4.48Å; A21-W175 HydrophobicContact CB-CH2 4.2Å; A21-W175 HydrophobicContact CB-CZ3 3.84Å; A21-M176 HydrophobicContact CB-CE 3.95Å; A21-M176 HydrophobicContact CB-SD 3.91Å; A21-Y179 HydrophobicContact CB-CD1 3.99Å; A21-Y179 HydrophobicContact CB-CE1 3.74Å; A21-Y179 PolarHBondContact O-OH 3.09Å
22G97.6Very high97Very high0 Ų023.1 Ų23.10%011%0.111CC..Hα-helixtrans-65.3-36178.300000112.5W18 L19 C24 L25 L26W18-G22 PolarHBondContact O-N 3.19Å; L19-G22 PolarHBondContact O-N 3.13Å; G22-C24 PolarHBondContact O-N 2.96Å; G22-L25 WeakPolarHBondContact O-CB 3.32Å; G22-L25 PolarHBondContact O-N 3.46Å; G22-L26 PolarHBondContact O-N 3.38Å; G22-L26 VanDerWaalsContact O-N 3.07Å
23R97.5Very high97.1Very high46 Ų4623.1 Ų23.117%0.17411%0.111CC..Hα-helixtrans-64.2-41.3173.4-174.353.6-179.9179.5-0.2112.4L19 K20 A21 L25 L26 I27 M206 W245 E248L19-R23 WeakPolarHBondContact O-CB 3.2Å; L19-R23 PolarHBondContact O-N 3.31Å; K20-R23 PolarHBondContact O-N 3.09Å; A21-R23 VanDerWaalsContact C-N 3.31Å; A21-R23 PolarHBondContact O-N 3.47Å; R23-L25 VanDerWaalsContact C-N 3.26Å; R23-L25 PolarHBondContact O-N 3.47Å; R23-L26 PolarHBondContact O-N 3.08Å; R23-I27 HydrophobicContact CG-CD1 4.12Å; R23-I27 WeakPolarHBondContact O-CG1 3.16Å; R23-I27 PolarHBondContact O-N 3.45Å; R23-M206 HydrophobicContact CB-CE 4.4Å; R23-M206 HydrophobicContact CB-CG 4Å; R23-M206 HydrophobicContact CB-SD 4.04Å; R23-M206 HydrophobicContact CG-CE 4.33Å; R23-M206 HydrophobicContact CG-CG 3.77Å; R23-M206 HydrophobicContact CG-SD 3.45Å; R23-M206 WeakPolarHBondContact CG-SD 3.33Å; R23-W245 HydrophobicContact CG-CD2 4.36Å; R23-W245 HydrophobicContact CG-CG 4.28Å; R23-E248 IonicContact CZ-OE2 2.86Å; R23-E248 IonicContact NH1-OE2 2.79Å; R23-E248 PolarHBondContact NH1-OE2 2.93Å
24C98.3Very high97.2Very high0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-60.9-37.2174-66.60000112K20 A21 G22 I27 L28 Y179 L183 I203K20-C24 PolarHBondContact O-N 3.18Å; K20-C24 PolarHBondContact O-SG 3.34Å; A21-C24 WeakPolarHBondContact O-CB 3.3Å; A21-C24 PolarHBondContact O-N 3.06Å; G22-C24 PolarHBondContact O-N 2.96Å; C24-I27 PolarHBondContact O-N 3.26Å; C24-L28 WeakPolarHBondContact O-CB 3.48Å; C24-L28 PolarHBondContact O-N 3.45Å; C24-Y179 HydrophobicContact CB-CE1 4.06Å; C24-L183 HydrophobicContact CB-CD1 3.8Å; C24-I203 HydrophobicContact CB-CG1 4.38Å; C24-I203 HydrophobicContact CB-CG2 4.3Å
25L97.9Very high97.2Very high5 Ų518.2 Ų18.23%0.0269%0.094CC..Hα-helixtrans-64.2-42176.1-175.468.7000112.2A21 G22 R23 L28 K29 A132 R160 M164 Y179A21-L25 PolarHBondContact O-N 2.85Å; G22-L25 WeakPolarHBondContact O-CB 3.32Å; G22-L25 PolarHBondContact O-N 3.46Å; R23-L25 VanDerWaalsContact C-N 3.26Å; R23-L25 PolarHBondContact O-N 3.47Å; L25-L28 WeakPolarHBondContact O-CB 3.24Å; L25-L28 PolarHBondContact O-N 2.77Å; L25-K29 PolarHBondContact O-N 3.23Å; L25-A132 HydrophobicContact CD1-CB 3.56Å; L25-A132 HydrophobicContact CD2-CB 4.18Å; L25-A132 HydrophobicContact CG-CB 3.69Å; L25-R160 HydrophobicContact CD1-CB 4.28Å; L25-R160 HydrophobicContact CD1-CG 3.53Å; L25-R160 HydrophobicContact CD2-CG 3.54Å; L25-R160 HydrophobicContact CG-CG 4.15Å; L25-M164 HydrophobicContact CD2-CG 4.41Å; L25-M164 HydrophobicContact CD2-SD 4.14Å; L25-Y179 PolarHBondContact N-OH 2.94Å
26L97.2Very high97.2Very high13 Ų1317.9 Ų17.97%0.0689%0.092CC..Hα-helixtrans-66.2-43175.9-65.6178.2000111.7G22 R23 L28 K29 D30 E248 E252G22-L26 PolarHBondContact O-N 3.38Å; G22-L26 VanDerWaalsContact O-N 3.07Å; R23-L26 PolarHBondContact O-N 3.08Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 3.23Å; L26-K29 WeakPolarHBondContact O-CB 3.4Å; L26-K29 PolarHBondContact O-N 3.45Å; L26-D30 PolarHBondContact O-N 3.29Å; L26-E248 HydrophobicContact CD1-CB 3.9Å; L26-E252 HydrophobicContact CD2-CB 4.44Å; L26-E252 HydrophobicContact CD2-CG 4.26Å
27I97.9Very high97.3Very high20 Ų2020 Ų2010%0.10310%0.104CC..Hα-helixtrans-58-43.7173.2-68.1164.4000110.5R23 C24 G31 V199 Q202 I203 M206R23-I27 HydrophobicContact CG-CD1 4.12Å; R23-I27 WeakPolarHBondContact O-CG1 3.16Å; R23-I27 PolarHBondContact O-N 3.45Å; C24-I27 PolarHBondContact O-N 3.26Å; I27-G31 PolarHBondContact O-N 3.02Å; I27-V199 HydrophobicContact CG2-CG1 4.11Å; I27-Q202 HydrophobicContact CD1-CB 4.46Å; I27-Q202 HydrophobicContact CG2-CB 3.87Å; I27-I203 HydrophobicContact CB-CG1 4.3Å; I27-I203 HydrophobicContact CG2-CD1 4.45Å; I27-I203 HydrophobicContact CG2-CG1 3.81Å; I27-M206 HydrophobicContact CD1-CB 4.15Å; I27-M206 HydrophobicContact CD1-CG 4.28Å
28L98.1Very high97.3Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-62.7-46176.4-178.266.8000111.5C24 L25 L26 D30 G31 L32 L136 V156 L183 F186 V187 M196 I203C24-L28 WeakPolarHBondContact O-CB 3.48Å; C24-L28 PolarHBondContact O-N 3.45Å; L25-L28 WeakPolarHBondContact O-CB 3.24Å; L25-L28 PolarHBondContact O-N 2.77Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 3.23Å; L28-D30 PolarHBondContact O-N 3.05Å; L28-G31 CarbonylContact O-C 3.54Å; L28-G31 PolarHBondContact O-N 3.38Å; L28-L32 HydrophobicContact CD1-CD1 4.29Å; L28-L32 HydrophobicContact CD1-CD2 4.44Å; L28-L32 HydrophobicContact CD1-CG 4.1Å; L28-L32 HydrophobicContact CD2-CD1 4.39Å; L28-L32 HydrophobicContact CG-CD1 3.94Å; L28-L32 HydrophobicContact CG-CG 4.15Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 3.38Å; L28-L136 HydrophobicContact CD2-CD2 4.37Å; L28-V156 HydrophobicContact CD2-CG1 3.92Å; L28-L183 HydrophobicContact CD2-CD2 3.75Å; L28-F186 HydrophobicContact CD1-CD1 4.18Å; L28-F186 HydrophobicContact CD1-CE1 3.99Å; L28-F186 HydrophobicContact CD2-CD1 4.21Å; L28-F186 HydrophobicContact CD2-CE1 4.11Å; L28-F186 HydrophobicContact CG-CE1 4.5Å; L28-V187 HydrophobicContact CD1-CG2 3.89Å; L28-M196 HydrophobicContact CD1-CE 4.27Å; L28-I203 HydrophobicContact CB-CD1 4.28Å; L28-I203 HydrophobicContact CD1-CD1 4.42Å
29K97.2Very high97.3Very high30 Ų3028.3 Ų28.313%0.1314%0.143CC..Hα-helixtrans-53.7-52.7177.6-172.8-15779.9161.40111L25 L26 G31 L32 L33 F130 A132 L135L25-K29 PolarHBondContact O-N 3.23Å; L26-K29 WeakPolarHBondContact O-CB 3.4Å; L26-K29 PolarHBondContact O-N 3.45Å; K29-G31 VanDerWaalsContact C-N 3.26Å; K29-G31 PolarHBondContact O-N 2.95Å; K29-L32 PolarHBondContact O-N 2.84Å; K29-L33 PolarHBondContact O-N 2.62Å; K29-L33 VanDerWaalsContact O-N 3.12Å; K29-F130 WeakPolarHBondContact CD-O 3.26Å; K29-A132 HydrophobicContact CB-CB 4.14Å; K29-A132 HydrophobicContact CG-CB 4.37Å; K29-L135 HydrophobicContact CG-CD1 3.98Å; K29-L135 WeakPolarHBondContact O-CD1 3.29Å
30D96.2Very high97.3Very high91 Ų9128.3 Ų28.349%0.48714%0.143SC..Hα-helixtrans-63.8-35.5-178.9-66.3-14.8000111.3L26 L28 P34L26-D30 PolarHBondContact O-N 3.29Å; L28-D30 PolarHBondContact O-N 3.05Å; D30-P34 WeakPolarHBondContact O-CD 3.46Å
31G96.6Very high97.3Very high3 Ų330 Ų303%0.03116%0.156CC..Hα-helixtrans-67.3-39173.100000114.3I27 L28 K29 L33 H195I27-G31 PolarHBondContact O-N 3.02Å; L28-G31 CarbonylContact O-C 3.54Å; L28-G31 PolarHBondContact O-N 3.38Å; K29-G31 VanDerWaalsContact C-N 3.26Å; K29-G31 PolarHBondContact O-N 2.95Å; G31-L33 VanDerWaalsContact C-N 3.33Å; G31-H195 PolarHBondContact O-CD2 2.95Å; G31-H195 PolarHBondContact O-NE2 3.14Å
32L97.7Very high97.3Very high1 Ų132.4 Ų32.41%0.00518%0.176CC..Hα-helixtrans-73.4-26.1-179.6-71.5178.2000112.6L28 K29 F35 T36 L135 L136 I139 F186 L190 M196L28-L32 HydrophobicContact CD1-CD1 4.29Å; L28-L32 HydrophobicContact CD1-CD2 4.44Å; L28-L32 HydrophobicContact CD1-CG 4.1Å; L28-L32 HydrophobicContact CD2-CD1 4.39Å; L28-L32 HydrophobicContact CG-CD1 3.94Å; L28-L32 HydrophobicContact CG-CG 4.15Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 3.38Å; K29-L32 PolarHBondContact O-N 2.84Å; L32-F35 HydrophobicContact CD2-CD1 4.49Å; L32-F35 PolarHBondContact O-N 2.84Å; L32-T36 WeakPolarHBondContact O-CB 3.45Å; L32-T36 WeakPolarHBondContact O-CG2 3.32Å; L32-T36 PolarHBondContact O-N 3.47Å; L32-T36 PolarHBondContact O-OG1 3.17Å; L32-L135 HydrophobicContact CB-CB 4.46Å; L32-L135 HydrophobicContact CB-CD1 4.03Å; L32-L135 HydrophobicContact CD1-CB 4.37Å; L32-L136 HydrophobicContact CD1-CD2 3.9Å; L32-L136 HydrophobicContact CD1-CG 4.31Å; L32-I139 HydrophobicContact CD1-CD1 4.17Å; L32-I139 HydrophobicContact CD2-CD1 3.9Å; L32-F186 HydrophobicContact CD1-CE1 4.17Å; L32-F186 HydrophobicContact CD1-CZ 4.44Å; L32-F186 HydrophobicContact CD2-CE1 4.05Å; L32-F186 HydrophobicContact CD2-CZ 4.03Å; L32-L190 HydrophobicContact CD2-CD1 3.62Å; L32-M196 HydrophobicContact CD2-CE 4.46Å
33L96.4Very high97.4Very high35 Ų3533.4 Ų33.418%0.18318%0.18CC..Hα-helixtrans-60.1-52.2-173179.566.6000113.1K29 G31 F35 T36 D37 W110 A127 D128 L135K29-L33 PolarHBondContact O-N 2.62Å; K29-L33 VanDerWaalsContact O-N 3.12Å; G31-L33 VanDerWaalsContact C-N 3.33Å; L33-F35 VanDerWaalsContact C-N 3.3Å; L33-F35 PolarHBondContact O-N 2.88Å; L33-T36 PolarHBondContact O-N 3.4Å; L33-T36 PolarHBondContact O-OG1 2.9Å; L33-D37 WeakPolarHBondContact O-CB 3.49Å; L33-D37 PolarHBondContact O-N 3.49Å; L33-W110 HydrophobicContact CD1-CH2 4.07Å; L33-W110 HydrophobicContact CD1-CZ2 3.97Å; L33-A127 HydrophobicContact CD1-CB 3.86Å; L33-A127 WeakPolarHBondContact CD1-O 3.37Å; L33-D128 HydrophobicContact CD2-CB 4.15Å; L33-L135 HydrophobicContact CB-CD1 4.31Å
34P96.2Very high97.4Very high67 Ų6732 Ų3244%0.43518%0.175SC..Hα-helixtrans-61.8-37.3176.9-2333.1000113.4D30 Q38D30-P34 WeakPolarHBondContact O-CD 3.46Å; P34-Q38 WeakPolarHBondContact O-CB 3.5Å; P34-Q38 PolarHBondContact O-N 3.22Å; P34-Q38 VanDerWaalsContact O-N 3.1Å
35F96Very high97.4Very high4 Ų433.2 Ų33.22%0.01819%0.188CC..Hα-helixtrans-65.9-46.9179.2167.1-113.6000111.6L32 L33 Q39 I139 F145 V148 L190 F192 V193L32-F35 HydrophobicContact CD2-CD1 4.49Å; L32-F35 PolarHBondContact O-N 2.84Å; L33-F35 VanDerWaalsContact C-N 3.3Å; L33-F35 PolarHBondContact O-N 2.88Å; F35-Q39 HydrophobicContact CD2-CG 4.05Å; F35-Q39 HydrophobicContact CE2-CG 3.66Å; F35-Q39 HydrophobicContact CZ-CG 4.09Å; F35-Q39 WeakPolarHBondContact O-CB 3.29Å; F35-Q39 VanDerWaalsContact O-CG 3.3Å; F35-Q39 WeakPolarHBondContact O-CG 3.39Å; F35-Q39 PolarHBondContact O-N 3.36Å; F35-Q39 VanDerWaalsContact O-N 3.14Å; F35-I139 HydrophobicContact CE1-CD1 4.42Å; F35-F145 HydrophobicContact CD1-CE1 4.44Å; F35-F145 AromaticContact CE1-CD1 3.72Å; F35-F145 HydrophobicContact CE1-CD1 3.72Å; F35-F145 AromaticContact CE1-CE1 3.91Å; F35-F145 HydrophobicContact CE1-CE1 3.91Å; F35-F145 AromaticContact CZ-CD1 3.84Å; F35-F145 HydrophobicContact CZ-CD1 3.84Å; F35-F145 HydrophobicContact CZ-CE1 4.23Å; F35-V148 HydrophobicContact CE1-CG2 4.48Å; F35-V148 HydrophobicContact CZ-CG2 4.28Å; F35-L190 HydrophobicContact CD1-CD2 4.35Å; F35-L190 HydrophobicContact CE1-CD2 3.76Å; F35-L190 HydrophobicContact CZ-CD2 3.84Å; F35-F192 AromaticContact CE2-CE2 3.98Å; F35-F192 HydrophobicContact CE2-CE2 3.98Å; F35-F192 HydrophobicContact CE2-CZ 4.11Å; F35-F192 HydrophobicContact CZ-CZ 4.24Å; F35-V193 HydrophobicContact CB-CG1 4.39Å; F35-V193 HydrophobicContact CD2-CG1 4.35Å; F35-V193 HydrophobicContact CD2-CG2 3.51Å; F35-V193 HydrophobicContact CE2-CG2 3.77Å; F35-V193 HydrophobicContact CG-CG2 4.26Å
36T97.5Very high97.4Very high0 Ų037.8 Ų37.80%021%0.212CC..Hα-helixtrans-68.3-40.2179.950.80000111.8L32 L33 Q39 L40 L138 I139 F145L32-T36 WeakPolarHBondContact O-CB 3.45Å; L32-T36 WeakPolarHBondContact O-CG2 3.32Å; L32-T36 PolarHBondContact O-N 3.47Å; L32-T36 PolarHBondContact O-OG1 3.17Å; L33-T36 PolarHBondContact O-N 3.4Å; L33-T36 PolarHBondContact O-OG1 2.9Å; T36-Q39 PolarHBondContact O-N 3.32Å; T36-L40 VanDerWaalsContact O-CB 3.24Å; T36-L40 WeakPolarHBondContact O-CB 3.39Å; T36-L40 WeakPolarHBondContact O-CG 3.39Å; T36-L40 PolarHBondContact O-N 3.01Å; T36-L138 HydrophobicContact CG2-CD2 4.3Å; T36-I139 HydrophobicContact CG2-CD1 3.86Å; T36-I139 HydrophobicContact CG2-CG1 3.93Å; T36-F145 HydrophobicContact CG2-CE1 4.01Å; T36-F145 HydrophobicContact CG2-CZ 4Å
37D97.3Very high97.5Very high60 Ų6037.3 Ų37.332%0.32121%0.21SC..Hα-helixtrans-61.4-47176.6-170.768.2000112.1L33 L40 T41 H109 W110L33-D37 WeakPolarHBondContact O-CB 3.49Å; L33-D37 PolarHBondContact O-N 3.49Å; D37-L40 PolarHBondContact O-N 2.95Å; D37-T41 VanDerWaalsContact O-CB 3.32Å; D37-T41 WeakPolarHBondContact O-CB 3.35Å; D37-T41 PolarHBondContact O-N 3.45Å; D37-T41 PolarHBondContact O-OG1 2.94Å; D37-H109 IonicContact OD1-CD2 3.66Å; D37-H109 IonicContact OD1-CE1 3.62Å; D37-H109 IonicContact OD1-NE2 3.66Å; D37-H109 PolarHBondContact OD1-NE2 3.29Å; D37-W110 HydrophobicContact CB-CZ2 3.95Å; D37-W110 PolarHBondContact OD1-NE1 3.41Å
38Q96.6Very high97.5Very high131 Ų13137.8 Ų37.861%0.61221%0.212SC*.Hα-helixtrans-61.6-47.8178.6-176.7-179.51.100111.7P34 T41 A42P34-Q38 WeakPolarHBondContact O-CB 3.5Å; P34-Q38 PolarHBondContact O-N 3.22Å; P34-Q38 VanDerWaalsContact O-N 3.1Å; Q38-T41 PolarHBondContact O-N 3.1Å; Q38-A42 PolarHBondContact O-N 3.22Å; Q38-A42 VanDerWaalsContact O-N 3.14Å
39Q97.2Very high97.5Very high59 Ų5942.7 Ų42.728%0.27624%0.238SC..Hα-helixtrans-65.8-42.5-179.4-71.4-708500112F35 T36 F43 F145F35-Q39 HydrophobicContact CD2-CG 4.05Å; F35-Q39 HydrophobicContact CE2-CG 3.66Å; F35-Q39 HydrophobicContact CZ-CG 4.09Å; F35-Q39 WeakPolarHBondContact O-CB 3.29Å; F35-Q39 VanDerWaalsContact O-CG 3.3Å; F35-Q39 WeakPolarHBondContact O-CG 3.39Å; F35-Q39 PolarHBondContact O-N 3.36Å; F35-Q39 VanDerWaalsContact O-N 3.14Å; T36-Q39 PolarHBondContact O-N 3.32Å; Q39-F43 WeakPolarHBondContact O-CB 3.43Å; Q39-F43 PolarHBondContact O-N 3.46Å; Q39-F145 HydrophobicContact CB-CD1 4.21Å; Q39-F145 HydrophobicContact CB-CE1 3.55Å; Q39-F145 HydrophobicContact CB-CZ 4.06Å; Q39-F145 HydrophobicContact CG-CD1 4.29Å; Q39-F145 HydrophobicContact CG-CE1 3.95Å
40L97.8Very high97.5Very high0 Ų047.1 Ų47.10%026%0.26CS..Hα-helixtrans-65.6-40.8177.3-83.3173.1000112.4T36 D37 F43 H44 H109 W110 A113 L138 F145T36-L40 VanDerWaalsContact O-CB 3.24Å; T36-L40 WeakPolarHBondContact O-CB 3.39Å; T36-L40 WeakPolarHBondContact O-CG 3.39Å; T36-L40 PolarHBondContact O-N 3.01Å; D37-L40 PolarHBondContact O-N 2.95Å; L40-F43 PolarHBondContact O-N 3.5Å; L40-H44 WeakPolarHBondContact O-CB 3.17Å; L40-H44 PolarHBondContact O-N 2.9Å; L40-H109 HydrophobicContact CB-CB 4.38Å; L40-W110 HydrophobicContact CD1-CD2 4.19Å; L40-W110 HydrophobicContact CD1-CE3 3.86Å; L40-W110 HydrophobicContact CD1-CH2 3.99Å; L40-W110 HydrophobicContact CD1-CZ2 4.27Å; L40-W110 HydrophobicContact CD1-CZ3 3.76Å; L40-A113 HydrophobicContact CD1-CB 3.52Å; L40-A113 HydrophobicContact CD2-CB 3.95Å; L40-A113 HydrophobicContact CG-CB 4.4Å; L40-L138 HydrophobicContact CD1-CD2 3.59Å; L40-L138 HydrophobicContact CD2-CD1 4.2Å; L40-L138 HydrophobicContact CG-CD2 4.19Å; L40-F145 HydrophobicContact CG-CZ 4.35Å
41T98.3Very high97.5Very high65 Ų6544.3 Ų44.340%0.39924%0.243SC..Hα-helixtrans-61.9-47.3178.7-61.60000110.8D37 Q38 G45 H109D37-T41 VanDerWaalsContact O-CB 3.32Å; D37-T41 WeakPolarHBondContact O-CB 3.35Å; D37-T41 PolarHBondContact O-N 3.45Å; D37-T41 PolarHBondContact O-OG1 2.94Å; Q38-T41 PolarHBondContact O-N 3.1Å; T41-G45 PolarHBondContact O-N 3.38Å; T41-G45 VanDerWaalsContact O-N 3.07Å; T41-H109 PolarHBondContact OG1-CE1 3.34Å; T41-H109 PolarHBondContact OG1-NE2 3.3Å
42A98.3Very high97.5Very high51 Ų5148.4 Ų48.442%0.42127%0.269SS..Hα-helixtrans-62.4-49.2176.800000111.4Q38 H44 G45 D46Q38-A42 PolarHBondContact O-N 3.22Å; Q38-A42 VanDerWaalsContact O-N 3.14Å; A42-H44 PolarHBondContact O-N 2.96Å; A42-G45 PolarHBondContact O-N 3.02Å; A42-D46 PolarHBondContact O-N 3.36Å
43F98.5Very high97.4Very high20 Ų2049.9 Ų49.99%0.08828%0.276CS..Hα-helixtrans-57.8-46178.4175.1-119.6000112.5Q39 L40 G45 D46 L47 H87 L112 C144Q39-F43 WeakPolarHBondContact O-CB 3.43Å; Q39-F43 PolarHBondContact O-N 3.46Å; L40-F43 PolarHBondContact O-N 3.5Å; F43-G45 PolarHBondContact O-N 3.15Å; F43-D46 PolarHBondContact O-N 3.11Å; F43-L47 HydrophobicContact CD1-CD1 4.19Å; F43-L47 HydrophobicContact CD2-CG 4.28Å; F43-L47 HydrophobicContact CE1-CD1 3.64Å; F43-L47 HydrophobicContact CE1-CG 4.29Å; F43-L47 HydrophobicContact CE2-CD1 4.13Å; F43-L47 HydrophobicContact CE2-CD2 3.87Å; F43-L47 HydrophobicContact CE2-CG 3.93Å; F43-L47 HydrophobicContact CZ-CD1 3.62Å; F43-L47 HydrophobicContact CZ-CD2 4.02Å; F43-L47 HydrophobicContact CZ-CG 3.95Å; F43-L47 WeakPolarHBondContact O-CG 3.38Å; F43-L47 PolarHBondContact O-N 2.71Å; F43-H87 AromaticContact CE2-CE1 3.88Å; F43-H87 AromaticContact CE2-CG 3.94Å; F43-H87 AromaticContact CE2-ND1 3.78Å; F43-H87 HydrophobicContact CZ-CB 3.86Å; F43-H87 AromaticContact CZ-CD2 3.84Å; F43-H87 AromaticContact CZ-CG 3.59Å; F43-H87 AromaticContact CZ-ND1 3.89Å; F43-L112 HydrophobicContact CD1-CD2 4.19Å; F43-L112 HydrophobicContact CE1-CD2 4.03Å; F43-C144 HydrophobicContact CB-CB 3.9Å; F43-C144 HydrophobicContact CD1-CB 3.92Å; F43-C144 HydrophobicContact CD2-CB 3.59Å; F43-C144 HydrophobicContact CE1-CB 4.31Å; F43-C144 HydrophobicContact CE2-CB 4.02Å; F43-C144 HydrophobicContact CG-CB 3.53Å; F43-C144 HydrophobicContact CZ-CB 4.34Å
44H98.6Very high97.4Very high17 Ų1748.2 Ų48.28%0.07927%0.267CS..Hα-helixtrans-61-44177.5-179.3-95.1000112.1L40 A42 D46 L47 L48 W80 W105 R106 H109L40-H44 WeakPolarHBondContact O-CB 3.17Å; L40-H44 PolarHBondContact O-N 2.9Å; A42-H44 PolarHBondContact O-N 2.96Å; H44-D46 PolarHBondContact O-N 2.91Å; H44-L47 PolarHBondContact O-N 2.78Å; H44-L48 VanDerWaalsContact CE1-CD1 3.5Å; H44-L48 WeakPolarHBondContact CE1-CD1 3.26Å; H44-L48 WeakPolarHBondContact O-CG 3.2Å; H44-L48 PolarHBondContact O-N 3.42Å; H44-W80 AromaticContact NE2-CH2 3.99Å; H44-W105 PolarHBondContact NE2-O 3.21Å; H44-R106 PolarHBondContact CE1-O 3.38Å; H44-H109 HydrophobicContact CB-CB 3.7Å
45G98.4Very high97.4Very high25 Ų2549.6 Ų49.626%0.25826%0.264SS..Hα-helixtrans-59-43.9173.200000112.8T41 A42 F43 L48 N49T41-G45 PolarHBondContact O-N 3.38Å; T41-G45 VanDerWaalsContact O-N 3.07Å; A42-G45 PolarHBondContact O-N 3.02Å; F43-G45 PolarHBondContact O-N 3.15Å; G45-L48 PolarHBondContact O-N 3Å; G45-N49 WeakPolarHBondContact O-CB 3.34Å; G45-N49 VanDerWaalsContact O-CG 3.25Å; G45-N49 PolarHBondContact O-N 3.12Å; G45-N49 PolarHBondContact O-ND2 3.2Å
46D98.3Very high97.4Very high102 Ų10254.9 Ų54.955%0.54529%0.287SS..Hα-helixtrans-64.1-42.4177.5-73.3-19.5000112.2A42 F43 H44 N49 Q50A42-D46 PolarHBondContact O-N 3.36Å; F43-D46 PolarHBondContact O-N 3.11Å; H44-D46 PolarHBondContact O-N 2.91Å; D46-N49 WeakPolarHBondContact O-CA 3.48Å; D46-N49 WeakPolarHBondContact O-CB 3.29Å; D46-N49 PolarHBondContact O-N 2.95Å; D46-N49 VanDerWaalsContact O-N 3.14Å; D46-Q50 WeakPolarHBondContact O-CB 3.39Å; D46-Q50 PolarHBondContact O-N 3.06Å
47L98.3Very high97.2Very high3 Ų359 Ų592%0.01631%0.314CS..Hα-helixtrans-60.7-48.5174.3-69.9-175.3000111.5F43 H44 N49 Q50 Y51 L54 W80 V83 L112F43-L47 HydrophobicContact CD1-CD1 4.19Å; F43-L47 HydrophobicContact CD2-CG 4.28Å; F43-L47 HydrophobicContact CE1-CD1 3.64Å; F43-L47 HydrophobicContact CE1-CG 4.29Å; F43-L47 HydrophobicContact CE2-CD1 4.13Å; F43-L47 HydrophobicContact CE2-CD2 3.87Å; F43-L47 HydrophobicContact CE2-CG 3.93Å; F43-L47 HydrophobicContact CZ-CD1 3.62Å; F43-L47 HydrophobicContact CZ-CD2 4.02Å; F43-L47 HydrophobicContact CZ-CG 3.95Å; F43-L47 WeakPolarHBondContact O-CG 3.38Å; F43-L47 PolarHBondContact O-N 2.71Å; H44-L47 PolarHBondContact O-N 2.78Å; L47-N49 PolarHBondContact O-N 3.12Å; L47-Q50 PolarHBondContact O-N 3.42Å; L47-Y51 HydrophobicContact CD2-CD2 4.22Å; L47-Y51 HydrophobicContact CD2-CE2 3.87Å; L47-Y51 WeakPolarHBondContact O-CB 3.46Å; L47-Y51 VanDerWaalsContact O-CD2 3.31Å; L47-Y51 WeakPolarHBondContact O-CD2 3.46Å; L47-Y51 PolarHBondContact O-N 2.79Å; L47-L54 HydrophobicContact CB-CD1 4.27Å; L47-W80 HydrophobicContact CD1-CZ3 4.16Å; L47-V83 HydrophobicContact CD1-CG1 3.81Å; L47-V83 HydrophobicContact CD2-CG1 3.57Å; L47-V83 HydrophobicContact CG-CG1 4.25Å; L47-L112 HydrophobicContact CD1-CD2 3.79Å
48L98.1Very high96.9Very high29 Ų2957.4 Ų57.415%0.15231%0.307CS..Hα-helixtrans-59-37.1176.2-71.2179.6000110.8H44 G45 L54 R55 W80 R106H44-L48 VanDerWaalsContact CE1-CD1 3.5Å; H44-L48 WeakPolarHBondContact CE1-CD1 3.26Å; H44-L48 WeakPolarHBondContact O-CG 3.2Å; H44-L48 PolarHBondContact O-N 3.42Å; G45-L48 PolarHBondContact O-N 3Å; L48-L54 HydrophobicContact CD2-CB 3.95Å; L48-R55 HydrophobicContact CB-CG 4.22Å; L48-R55 HydrophobicContact CD2-CG 4.16Å; L48-R55 PolarHBondContact O-NE 3.25Å; L48-R55 PolarHBondContact O-NH1 3.44Å; L48-R55 PolarHBondContact O-NH2 2.99Å; L48-W80 HydrophobicContact CD2-CH2 4.17Å; L48-W80 HydrophobicContact CD2-CZ2 3.89Å; L48-R106 HydrophobicContact CD2-CG 4.47Å
49N97.7Very high96.4Very high103 Ų10356.6 Ų56.655%0.55130%0.303SS*.Hα-helixtrans-66.4-49.4178-76.1-30.5000113.6G45 D46 L47 R55G45-N49 WeakPolarHBondContact O-CB 3.34Å; G45-N49 VanDerWaalsContact O-CG 3.25Å; G45-N49 PolarHBondContact O-N 3.12Å; G45-N49 PolarHBondContact O-ND2 3.2Å; D46-N49 WeakPolarHBondContact O-CA 3.48Å; D46-N49 WeakPolarHBondContact O-CB 3.29Å; D46-N49 PolarHBondContact O-N 2.95Å; D46-N49 VanDerWaalsContact O-N 3.14Å; L47-N49 PolarHBondContact O-N 3.12Å; N49-R55 VanDerWaalsContact CA-NH2 3.33Å; N49-R55 PolarHBondContact O-NH1 2.94Å; N49-R55 PolarHBondContact OD1-NH2 3.46Å
50Q97.4Very high95.5Very high124 Ų12456.6 Ų56.658%0.57931%0.307SS*.Hα-helixtrans-71.1-33.8-177.3-173.2173.838.700113D46 L47 P52D46-Q50 WeakPolarHBondContact O-CB 3.39Å; D46-Q50 PolarHBondContact O-N 3.06Å; L47-Q50 PolarHBondContact O-N 3.42Å; Q50-P52 WeakPolarHBondContact O-CD 3.42Å
51Y96.8Very high94.4Very high32 Ų3261.8 Ų61.813%0.12534%0.343CS..  trans-118.791.1-174.1-56.6-83.8000111.2L47 L53 L54 V83 R86L47-Y51 HydrophobicContact CD2-CD2 4.22Å; L47-Y51 HydrophobicContact CD2-CE2 3.87Å; L47-Y51 WeakPolarHBondContact O-CB 3.46Å; L47-Y51 VanDerWaalsContact O-CD2 3.31Å; L47-Y51 WeakPolarHBondContact O-CD2 3.46Å; L47-Y51 PolarHBondContact O-N 2.79Å; Y51-L53 PolarHBondContact O-N 3.49Å; Y51-L54 HydrophobicContact CD2-CD1 4Å; Y51-L54 HydrophobicContact CG-CD1 4.07Å; Y51-L54 HydrophobicContact CG-CG 4.43Å; Y51-L54 WeakPolarHBondContact O-CB 3.44Å; Y51-L54 PolarHBondContact O-N 3.36Å; Y51-V83 HydrophobicContact CD1-CG2 4.22Å; Y51-V83 HydrophobicContact CD2-CG2 4.16Å; Y51-V83 HydrophobicContact CE1-CG2 4.13Å; Y51-V83 HydrophobicContact CE2-CG1 4.27Å; Y51-V83 HydrophobicContact CE2-CG2 4.08Å; Y51-V83 HydrophobicContact CG-CG2 4.25Å; Y51-R86 PolarHBondContact OH-NH1 3.19Å
52P95.7Very high93.5Very high89 Ų8961.8 Ų61.858%0.57835%0.346SS*.G310 helixtrans-55.8-27.4-178-27.634.6000115.4Q50 L54 R55Q50-P52 WeakPolarHBondContact O-CD 3.42Å; P52-L54 VanDerWaalsContact C-N 3.31Å; P52-L54 PolarHBondContact O-N 3.1Å; P52-R55 WeakPolarHBondContact O-CB 3.44Å; P52-R55 PolarHBondContact O-N 3.46Å
53L96Very high92.9Very high31 Ų3159.9 Ų59.916%0.16233%0.33CS..G310 helixtrans-66.5-32.3177.6-176.958.9000112.6Y51 R55 K56 R75 V76 E79Y51-L53 PolarHBondContact O-N 3.49Å; L53-R55 PolarHBondContact O-N 3.08Å; L53-K56 HydrophobicContact CD1-CD 4.03Å; L53-K56 WeakPolarHBondContact O-CB 3.36Å; L53-K56 PolarHBondContact O-N 3.46Å; L53-R75 HydrophobicContact CD2-CG 4.06Å; L53-V76 HydrophobicContact CD1-CG2 3.93Å; L53-V76 HydrophobicContact CG-CG2 4.42Å; L53-E79 HydrophobicContact CB-CG 4.48Å; L53-E79 HydrophobicContact CD2-CB 3.74Å; L53-E79 HydrophobicContact CD2-CG 3.92Å; L53-E79 HydrophobicContact CG-CB 4.32Å; L53-E79 HydrophobicContact CG-CG 4.47Å
54L96.4Very high92.1Very high0 Ų064.8 Ų64.80%035%0.351CS..G310 helixtrans-67.4-21.8179.4-58.1-171.5000112.6L47 L48 Y51 P52 K56 E79 W80 V83L47-L54 HydrophobicContact CB-CD1 4.27Å; L48-L54 HydrophobicContact CD2-CB 3.95Å; Y51-L54 HydrophobicContact CD2-CD1 4Å; Y51-L54 HydrophobicContact CG-CD1 4.07Å; Y51-L54 HydrophobicContact CG-CG 4.43Å; Y51-L54 WeakPolarHBondContact O-CB 3.44Å; Y51-L54 PolarHBondContact O-N 3.36Å; P52-L54 VanDerWaalsContact C-N 3.31Å; P52-L54 PolarHBondContact O-N 3.1Å; L54-K56 PolarHBondContact O-N 3.03Å; L54-E79 HydrophobicContact CD2-CB 3.92Å; L54-E79 HydrophobicContact CD2-CG 3.78Å; L54-W80 HydrophobicContact CB-CD2 4.5Å; L54-W80 HydrophobicContact CB-CH2 4.24Å; L54-W80 HydrophobicContact CB-CZ2 3.63Å; L54-W80 HydrophobicContact CD1-CD2 4.24Å; L54-W80 HydrophobicContact CD1-CE3 4.08Å; L54-W80 HydrophobicContact CD1-CH2 3.97Å; L54-W80 HydrophobicContact CD1-CZ2 4.11Å; L54-W80 HydrophobicContact CD1-CZ3 3.95Å; L54-W80 HydrophobicContact CD2-CB 4.38Å; L54-W80 HydrophobicContact CD2-CD2 3.72Å; L54-W80 HydrophobicContact CD2-CE3 4.3Å; L54-W80 HydrophobicContact CD2-CG 3.74Å; L54-W80 HydrophobicContact CD2-CZ2 4.42Å; L54-W80 HydrophobicContact CG-CD2 4.36Å; L54-W80 HydrophobicContact CG-CZ2 4.25Å; L54-V83 HydrophobicContact CD1-CG1 4.37Å; L54-V83 HydrophobicContact CD1-CG2 4.24Å
55R96.3Very high91.3Very high97 Ų9765.2 Ų65.237%0.36636%0.355SS..G310 helixtrans-75.50.6172-59-178.8176.5109.6-25.1112.9L48 N49 P52 L53 R106L48-R55 HydrophobicContact CB-CG 4.22Å; L48-R55 HydrophobicContact CD2-CG 4.16Å; L48-R55 PolarHBondContact O-NE 3.25Å; L48-R55 PolarHBondContact O-NH1 3.44Å; L48-R55 PolarHBondContact O-NH2 2.99Å; N49-R55 VanDerWaalsContact CA-NH2 3.33Å; N49-R55 PolarHBondContact O-NH1 2.94Å; N49-R55 PolarHBondContact OD1-NH2 3.46Å; P52-R55 WeakPolarHBondContact O-CB 3.44Å; P52-R55 PolarHBondContact O-N 3.46Å; L53-R55 PolarHBondContact O-N 3.08Å; R55-R106 PolarHBondContact O-NE 3.41Å; R55-R106 VanDerWaalsContact O-NE 3.09Å; R55-R106 PolarHBondContact O-NH1 3.31Å; R55-R106 PolarHBondContact O-NH2 2.9Å
56K95.5Very high90.4Very high115 Ų11572.9 Ų72.950%0.538%0.376SS..SBendtrans-91.9148.3172.8-63.3-165.5-178-177.60110L53 L54 V76L53-K56 HydrophobicContact CD1-CD 4.03Å; L53-K56 WeakPolarHBondContact O-CB 3.36Å; L53-K56 PolarHBondContact O-N 3.46Å; L54-K56 PolarHBondContact O-N 3.03Å; K56-V76 HydrophobicContact CB-CG2 3.83Å; K56-V76 WeakPolarHBondContact O-CG1 3.44Å
57P93.3Very high89.3Confident86 Ų8669.7 Ų69.756%0.55837%0.368SS*.PPolyproline II helixtrans-67.3158171.831.6-33.6000110.3E59P57-E59 PolarHBondContact O-N 3.47Å
58C90.9Very high88.2Confident27 Ų2773.7 Ų73.718%0.18239%0.389CS..PPolyproline II helixtrans-55.3132.4167.8-179.60000110.1T60 C63 C77 R103C58-T60 VanDerWaalsContact C-N 3.31Å; C58-T60 PolarHBondContact O-N 3.2Å; C58-T60 PolarHBondContact SG-O 2.92Å; C58-C63 VanDerWaalsContact SG-SG 3.64Å; C58-C77 PolarHBondContact SG-SG 3.18Å; C58-R103 HydrophobicContact CB-CB 4.49Å
59E86.3Confident87.3Confident114 Ų11476.2 Ų76.253%0.53341%0.406SS..SBendtrans-78.3-18.2-171.8-58.1170162.100112.4P57 C74 R75 V76P57-E59 PolarHBondContact O-N 3.47Å; E59-C74 HydrophobicContact CB-CB 3.82Å; E59-C74 HydrophobicContact CG-CB 4.28Å; E59-C74 PolarHBondContact N-SG 3.45Å; E59-C74 WeakPolarHBondContact OE2-CB 3.45Å; E59-R75 PolarHBondContact OE2-N 2.94Å; E59-V76 HydrophobicContact CG-CG2 4.11Å
60T79.5Confident86.4Confident58 Ų5872.2 Ų72.236%0.35638%0.384SS..  trans-137.1148.4-178.969.60000111.9C58 S62 C63C58-T60 VanDerWaalsContact C-N 3.31Å; C58-T60 PolarHBondContact O-N 3.2Å; C58-T60 PolarHBondContact SG-O 2.92Å; T60-S62 VanDerWaalsContact CB-OG 3.25Å; T60-S62 WeakPolarHBondContact CB-OG 3.37Å; T60-S62 PolarHBondContact O-N 2.98Å; T60-S62 PolarHBondContact OG1-OG 2.77Å; T60-C63 PolarHBondContact OG1-N 3.43Å; T60-C63 PolarHBondContact OG1-SG 3.15Å
61S74.1Confident85.2Confident109 Ų10969 Ų6976%0.76237%0.373SS*.THydrogen-bonded Turntrans-76.1-4.2168.157.20000113
62S78.6Confident83.7Confident66 Ų6671.6 Ų71.646%0.46240%0.396SS..THydrogen-bonded Turntrans-87.2-13.5-177.559.70000114.2T60 K64T60-S62 VanDerWaalsContact CB-OG 3.25Å; T60-S62 WeakPolarHBondContact CB-OG 3.37Å; T60-S62 PolarHBondContact O-N 2.98Å; T60-S62 PolarHBondContact OG1-OG 2.77Å; S62-K64 VanDerWaalsContact C-N 3.35Å; S62-K64 PolarHBondContact O-N 3.23Å
63C86.8Confident82.9Confident10 Ų1069.9 Ų69.97%0.06838%0.384CS..  trans-64.895.9173.6-68.60000109.2C58 T60 S72 C74 C77C58-C63 VanDerWaalsContact SG-SG 3.64Å; T60-C63 PolarHBondContact OG1-N 3.43Å; T60-C63 PolarHBondContact OG1-SG 3.15Å; C63-S72 PolarHBondContact SG-O 3.19Å; C63-S72 VanDerWaalsContact SG-O 3.41Å; C63-C74 PolarHBondContact SG-N 3.01Å; C63-C74 VanDerWaalsContact SG-SG 3.7Å; C63-C77 HydrophobicContact CB-CB 4.46Å
64K81.1Confident82.7Confident124 Ų12469 Ų6954%0.53938%0.38SS..EExtended strand (participates in β ladder)trans-134.1135.2-177.8-68.9-173.9-179.2-177.80109.5S62 V71S62-K64 VanDerWaalsContact C-N 3.35Å; S62-K64 PolarHBondContact O-N 3.23Å; K64-V71 PolarHBondContact O-N 3.4Å
65P82.8Confident82.6Confident25 Ų2577.2 Ų77.216%0.16241%0.411CS..EExtended strand (participates in β ladder)trans-63.1148.3170.5-15.926.9000111.6T69 L70 W97 T98 C100P65-T69 WeakPolarHBondContact CA-O 3.41Å; P65-L70 HydrophobicContact CB-CD1 4.21Å; P65-L70 HydrophobicContact CG-CD1 3.91Å; P65-W97 HydrophobicContact CB-CB 3.82Å; P65-W97 WeakPolarHBondContact CB-O 3.37Å; P65-W97 HydrophobicContact CG-CB 4.36Å; P65-W97 WeakPolarHBondContact CG-O 3.32Å; P65-T98 HydrophobicContact CB-CG2 4.34Å; P65-C100 WeakPolarHBondContact CG-O 3.45Å
66R79.1Confident82.5Confident186 Ų18672.7 Ų72.770%0.70239%0.394SS*.EExtended strand (participates in β ladder)trans-136.9113.3164.1-70.5-167.5179.4-168.7-3.1108.3N68 T69 V71R66-N68 PolarHBondContact O-N 3.44Å; R66-T69 PolarHBondContact N-O 3.4Å; R66-T69 PolarHBondContact O-N 3.35Å; R66-T69 VanDerWaalsContact O-O 3.11Å; R66-T69 PolarHBondContact O-OG1 3.43Å; R66-V71 HydrophobicContact CB-CG2 3.95Å; R66-V71 HydrophobicContact CG-CG2 4.1Å
67G74.5Confident82.4Confident36 Ų3667.3 Ų67.337%0.37137%0.371SS..THydrogen-bonded Turntrans51-129.4-170.200000111.7T69 T98G67-T69 PolarHBondContact O-N 3.34Å; G67-T98 WeakPolarHBondContact O-CG2 3.45Å
68N76.4Confident82.4Confident87 Ų8764.7 Ų64.747%0.46535%0.354SS..THydrogen-bonded Turntrans-87.320.6-179.6-58-29000113.5R66 T94R66-N68 PolarHBondContact O-N 3.44Å; N68-T94 HydrophobicContact CB-CG2 4.04Å; N68-T94 VanDerWaalsContact ND2-CG2 3.26Å; N68-T94 WeakPolarHBondContact ND2-CG2 3.42Å
69T79.1Confident82.6Confident82 Ų8265.7 Ų65.750%0.50336%0.356SS..EExtended strand (participates in β ladder)trans-131.9153.6178.866.50000112.1P65 R66 G67P65-T69 WeakPolarHBondContact CA-O 3.41Å; R66-T69 PolarHBondContact N-O 3.4Å; R66-T69 PolarHBondContact O-N 3.35Å; R66-T69 VanDerWaalsContact O-O 3.11Å; R66-T69 PolarHBondContact O-OG1 3.43Å; G67-T69 PolarHBondContact O-N 3.34Å
70L77.9Confident83Confident18 Ų1860.4 Ų60.49%0.09433%0.332CS..EExtended strand (participates in β ladder)trans-104.1109.1171.6-165.561.4000109P65 V73 C77 P102 W105P65-L70 HydrophobicContact CB-CD1 4.21Å; P65-L70 HydrophobicContact CG-CD1 3.91Å; L70-V73 HydrophobicContact CB-CG1 3.74Å; L70-V73 HydrophobicContact CD2-CG1 3.34Å; L70-V73 HydrophobicContact CG-CG1 3.36Å; L70-C77 HydrophobicContact CD2-CB 4.31Å; L70-P102 HydrophobicContact CD1-CG 3.74Å; L70-P102 HydrophobicContact CD2-CG 4.13Å; L70-W105 HydrophobicContact CD2-CH2 3.85Å; L70-W105 HydrophobicContact CD2-CZ3 4.12Å
71V72.1Confident83.7Confident58 Ų5859.7 Ų59.735%0.35232%0.324SS..EExtended strand (participates in β ladder)trans-85.7137.7-175.1-179.70000110K64 R66K64-V71 PolarHBondContact O-N 3.4Å; R66-V71 HydrophobicContact CB-CG2 3.95Å; R66-V71 HydrophobicContact CG-CG2 4.1Å
72S66.4Low84.6Confident86 Ų8660.1 Ų60.160%0.60131%0.312SS*.SBendtrans55.954.1176.5-59.50000113.8C63 C74C63-S72 PolarHBondContact SG-O 3.19Å; C63-S72 VanDerWaalsContact SG-O 3.41Å; S72-C74 PolarHBondContact O-N 2.88Å
73V78.8Confident85.5Confident52 Ų5257.1 Ų57.132%0.31529%0.292SS..  trans-67.1119.1178.5-71.40000112.1L70 C77L70-V73 HydrophobicContact CB-CG1 3.74Å; L70-V73 HydrophobicContact CD2-CG1 3.34Å; L70-V73 HydrophobicContact CG-CG1 3.36Å; V73-C77 HydrophobicContact CB-CB 4.4Å; V73-C77 HydrophobicContact CG1-CB 4.41Å
74C91.8Very high85.9Confident13 Ų1356.7 Ų56.79%0.08829%0.288CS..  trans-65.3169.216576.90000110.7E59 C63 S72 V76 C77 S78E59-C74 HydrophobicContact CB-CB 3.82Å; E59-C74 HydrophobicContact CG-CB 4.28Å; E59-C74 PolarHBondContact N-SG 3.45Å; E59-C74 WeakPolarHBondContact OE2-CB 3.45Å; C63-C74 PolarHBondContact SG-N 3.01Å; C63-C74 VanDerWaalsContact SG-SG 3.7Å; S72-C74 PolarHBondContact O-N 2.88Å; C74-V76 PolarHBondContact O-N 3.15Å; C74-C77 PolarHBondContact O-N 2.96Å; C74-C77 PolarHBondContact SG-N 3.49Å; C74-C77 VanDerWaalsContact SG-SG 3.6Å; C74-S78 WeakPolarHBondContact O-CB 3.2Å; C74-S78 PolarHBondContact O-N 3.36Å
75R93Very high86.6Confident173 Ų17354 Ų5465%0.65328%0.28SS*.Hα-helixtrans-58.1-38.9-175.8-173-175.4172178.40.3112.3L53 E59 E79L53-R75 HydrophobicContact CD2-CG 4.06Å; E59-R75 PolarHBondContact OE2-N 2.94Å; R75-E79 PolarHBondContact O-N 2.91Å
76V93.8Very high87.2Confident2 Ų261 Ų611%0.01230%0.303CS..Hα-helixtrans-68.6-47.1179.5178.10000111.5L53 K56 E59 C74 S78 E79 W80L53-V76 HydrophobicContact CD1-CG2 3.93Å; L53-V76 HydrophobicContact CG-CG2 4.42Å; K56-V76 HydrophobicContact CB-CG2 3.83Å; K56-V76 WeakPolarHBondContact O-CG1 3.44Å; E59-V76 HydrophobicContact CG-CG2 4.11Å; C74-V76 PolarHBondContact O-N 3.15Å; V76-S78 VanDerWaalsContact C-N 3.34Å; V76-S78 PolarHBondContact O-N 3.39Å; V76-E79 PolarHBondContact O-N 3.07Å; V76-W80 PolarHBondContact O-N 3.19Å
77C93.5Very high88Confident1 Ų153.3 Ų53.31%0.00728%0.275CS..Hα-helixtrans-67.6-34.4179.3-67.50000112.6C58 C63 L70 V73 C74 E79 W80 Q81 P102 W105C58-C77 PolarHBondContact SG-SG 3.18Å; C63-C77 HydrophobicContact CB-CB 4.46Å; L70-C77 HydrophobicContact CD2-CB 4.31Å; V73-C77 HydrophobicContact CB-CB 4.4Å; V73-C77 HydrophobicContact CG1-CB 4.41Å; C74-C77 PolarHBondContact O-N 2.96Å; C74-C77 PolarHBondContact SG-N 3.49Å; C74-C77 VanDerWaalsContact SG-SG 3.6Å; C77-E79 VanDerWaalsContact C-N 3.29Å; C77-E79 PolarHBondContact O-N 3.08Å; C77-W80 PolarHBondContact O-N 3.27Å; C77-Q81 WeakPolarHBondContact O-CB 3.5Å; C77-Q81 PolarHBondContact O-N 3.45Å; C77-P102 HydrophobicContact CB-CB 4.41Å; C77-P102 VanDerWaalsContact SG-CB 3.51Å; C77-W105 HydrophobicContact CB-CZ3 4.44Å
78S93.1Very high89Confident31 Ų3152.1 Ų52.122%0.21726%0.26CS..Hα-helixtrans-62.4-38.5172.3-177.60000111.5C74 V76 Q81 K82C74-S78 WeakPolarHBondContact O-CB 3.2Å; C74-S78 PolarHBondContact O-N 3.36Å; V76-S78 VanDerWaalsContact C-N 3.34Å; V76-S78 PolarHBondContact O-N 3.39Å; S78-Q81 PolarHBondContact O-N 2.87Å; S78-K82 WeakPolarHBondContact O-CG 3.34Å; S78-K82 PolarHBondContact O-N 3.4Å; S78-K82 VanDerWaalsContact O-N 3.09Å
79E95.4Very high89.9Confident48 Ų4851 Ų5122%0.22425%0.249CC..Hα-helixtrans-69.1-43.9176.9-163.365.1-166.200112L53 L54 R75 V76 C77 Q81 K82 V83L53-E79 HydrophobicContact CB-CG 4.48Å; L53-E79 HydrophobicContact CD2-CB 3.74Å; L53-E79 HydrophobicContact CD2-CG 3.92Å; L53-E79 HydrophobicContact CG-CB 4.32Å; L53-E79 HydrophobicContact CG-CG 4.47Å; L54-E79 HydrophobicContact CD2-CB 3.92Å; L54-E79 HydrophobicContact CD2-CG 3.78Å; R75-E79 PolarHBondContact O-N 2.91Å; V76-E79 PolarHBondContact O-N 3.07Å; C77-E79 VanDerWaalsContact C-N 3.29Å; C77-E79 PolarHBondContact O-N 3.08Å; E79-Q81 VanDerWaalsContact C-N 3.3Å; E79-Q81 PolarHBondContact O-N 3.4Å; E79-K82 PolarHBondContact O-N 2.9Å; E79-K82 IonicContact OE2-NZ 3.58Å; E79-V83 WeakPolarHBondContact O-CG2 3.36Å; E79-V83 PolarHBondContact O-N 3.44Å
80W95.7Very high90.5Very high3 Ų350.4 Ų50.41%0.01124%0.241CC..Hα-helixtrans-55.6-46.4172-86.5110.2000111.9H44 L47 L48 L54 V76 C77 K82 V83 I84 W105 L112H44-W80 AromaticContact NE2-CH2 3.99Å; L47-W80 HydrophobicContact CD1-CZ3 4.16Å; L48-W80 HydrophobicContact CD2-CH2 4.17Å; L48-W80 HydrophobicContact CD2-CZ2 3.89Å; L54-W80 HydrophobicContact CB-CD2 4.5Å; L54-W80 HydrophobicContact CB-CH2 4.24Å; L54-W80 HydrophobicContact CB-CZ2 3.63Å; L54-W80 HydrophobicContact CD1-CD2 4.24Å; L54-W80 HydrophobicContact CD1-CE3 4.08Å; L54-W80 HydrophobicContact CD1-CH2 3.97Å; L54-W80 HydrophobicContact CD1-CZ2 4.11Å; L54-W80 HydrophobicContact CD1-CZ3 3.95Å; L54-W80 HydrophobicContact CD2-CB 4.38Å; L54-W80 HydrophobicContact CD2-CD2 3.72Å; L54-W80 HydrophobicContact CD2-CE3 4.3Å; L54-W80 HydrophobicContact CD2-CG 3.74Å; L54-W80 HydrophobicContact CD2-CZ2 4.42Å; L54-W80 HydrophobicContact CG-CD2 4.36Å; L54-W80 HydrophobicContact CG-CZ2 4.25Å; V76-W80 PolarHBondContact O-N 3.19Å; C77-W80 PolarHBondContact O-N 3.27Å; W80-K82 VanDerWaalsContact C-N 3.34Å; W80-K82 PolarHBondContact O-N 2.92Å; W80-V83 PolarHBondContact O-N 3.33Å; W80-I84 WeakPolarHBondContact O-CB 3.23Å; W80-I84 VanDerWaalsContact O-CG1 3.25Å; W80-I84 WeakPolarHBondContact O-CG1 3.3Å; W80-I84 PolarHBondContact O-N 2.75Å; W80-W105 HydrophobicContact CB-CD2 4.14Å; W80-W105 HydrophobicContact CB-CE3 3.25Å; W80-W105 HydrophobicContact CB-CZ3 3.52Å; W80-W105 HydrophobicContact CD2-CB 3.72Å; W80-W105 HydrophobicContact CD2-CE3 4.33Å; W80-W105 HydrophobicContact CD2-CG 4.39Å; W80-W105 HydrophobicContact CE3-CB 4.13Å; W80-W105 HydrophobicContact CG-CB 4.05Å; W80-W105 HydrophobicContact CG-CD2 4.23Å; W80-W105 AromaticContact CG-CE3 3.57Å; W80-W105 HydrophobicContact CG-CE3 3.57Å; W80-W105 HydrophobicContact CG-CG 4.49Å; W80-W105 HydrophobicContact CG-CZ3 4.32Å; W80-W105 VanDerWaalsContact CH2-O 3.29Å; W80-W105 WeakPolarHBondContact CH2-O 3.36Å; W80-W105 HydrophobicContact CZ2-CB 4.18Å; W80-W105 VanDerWaalsContact CZ2-O 3.26Å; W80-W105 WeakPolarHBondContact CZ2-O 3.47Å; W80-L112 HydrophobicContact CE3-CD1 4.08Å; W80-L112 HydrophobicContact CZ3-CD1 3.92Å; W80-L112 HydrophobicContact CZ3-CD2 4.18Å
81Q93.7Very high90.5Very high44 Ų4453.9 Ų53.921%0.20626%0.264CS..Hα-helixtrans-58.3-45.5178.6-172.7-176.613.600111.9C77 S78 E79 V83 I84 L85 W97C77-Q81 WeakPolarHBondContact O-CB 3.5Å; C77-Q81 PolarHBondContact O-N 3.45Å; S78-Q81 PolarHBondContact O-N 2.87Å; E79-Q81 VanDerWaalsContact C-N 3.3Å; E79-Q81 PolarHBondContact O-N 3.4Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.49Å; Q81-I84 PolarHBondContact O-N 2.95Å; Q81-L85 HydrophobicContact CG-CD1 4.03Å; Q81-L85 WeakPolarHBondContact O-CB 3.4Å; Q81-L85 VanDerWaalsContact O-CG 3.29Å; Q81-L85 WeakPolarHBondContact O-CG 3.37Å; Q81-L85 PolarHBondContact O-N 3.17Å; Q81-W97 HydrophobicContact CB-CH2 4.38Å; Q81-W97 HydrophobicContact CG-CH2 3.64Å; Q81-W97 HydrophobicContact CG-CZ2 3.74Å; Q81-W97 HydrophobicContact CG-CZ3 4.35Å
82K94.3Very high91.1Very high117 Ų11759 Ų5951%0.50929%0.289SS..Hα-helixtrans-61.6-42.9176.7-70.4171.8-167.2167.80112S78 E79 W80 L85 R86S78-K82 WeakPolarHBondContact O-CG 3.34Å; S78-K82 PolarHBondContact O-N 3.4Å; S78-K82 VanDerWaalsContact O-N 3.09Å; E79-K82 PolarHBondContact O-N 2.9Å; E79-K82 IonicContact OE2-NZ 3.58Å; W80-K82 VanDerWaalsContact C-N 3.34Å; W80-K82 PolarHBondContact O-N 2.92Å; K82-L85 PolarHBondContact O-N 2.73Å; K82-R86 VanDerWaalsContact O-CB 3.28Å; K82-R86 WeakPolarHBondContact O-CB 3.5Å; K82-R86 PolarHBondContact O-N 3.33Å
83V96.4Very high91.9Very high4 Ų456.2 Ų56.22%0.02427%0.271CS..Hα-helixtrans-66.8-43.7179.6171.30000110.7L47 Y51 L54 E79 W80 Q81 L85 R86 H87L47-V83 HydrophobicContact CD1-CG1 3.81Å; L47-V83 HydrophobicContact CD2-CG1 3.57Å; L47-V83 HydrophobicContact CG-CG1 4.25Å; Y51-V83 HydrophobicContact CD1-CG2 4.22Å; Y51-V83 HydrophobicContact CD2-CG2 4.16Å; Y51-V83 HydrophobicContact CE1-CG2 4.13Å; Y51-V83 HydrophobicContact CE2-CG1 4.27Å; Y51-V83 HydrophobicContact CE2-CG2 4.08Å; Y51-V83 HydrophobicContact CG-CG2 4.25Å; L54-V83 HydrophobicContact CD1-CG1 4.37Å; L54-V83 HydrophobicContact CD1-CG2 4.24Å; E79-V83 WeakPolarHBondContact O-CG2 3.36Å; E79-V83 PolarHBondContact O-N 3.44Å; W80-V83 PolarHBondContact O-N 3.33Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.49Å; V83-L85 PolarHBondContact O-N 2.92Å; V83-R86 WeakPolarHBondContact O-CB 3.24Å; V83-R86 PolarHBondContact O-N 3.04Å; V83-H87 PolarHBondContact O-CD2 2.98Å; V83-H87 VanDerWaalsContact O-CD2 3.23Å; V83-H87 PolarHBondContact O-N 3.02Å; V83-H87 VanDerWaalsContact O-N 3.1Å
84I95.9Very high92.3Very high0 Ų057.9 Ų57.90%028%0.282CS..Hα-helixtrans-57.7-50.1174.2-70.8165.3000110.7W80 Q81 R86 H87 H88 I95 W97 W105 L112 A115 Y116W80-I84 WeakPolarHBondContact O-CB 3.23Å; W80-I84 VanDerWaalsContact O-CG1 3.25Å; W80-I84 WeakPolarHBondContact O-CG1 3.3Å; W80-I84 PolarHBondContact O-N 2.75Å; Q81-I84 PolarHBondContact O-N 2.95Å; I84-R86 VanDerWaalsContact C-N 3.3Å; I84-R86 PolarHBondContact O-N 3.27Å; I84-H87 PolarHBondContact O-N 3.13Å; I84-H88 PolarHBondContact O-N 2.72Å; I84-I95 HydrophobicContact CG2-CD1 4.24Å; I84-W97 HydrophobicContact CB-CH2 4.19Å; I84-W97 HydrophobicContact CD1-CH2 4.44Å; I84-W97 HydrophobicContact CD1-CZ3 3.95Å; I84-W97 HydrophobicContact CG2-CH2 3.77Å; I84-W97 HydrophobicContact CG2-CZ3 4.1Å; I84-W105 HydrophobicContact CD1-CD2 4.23Å; I84-W105 HydrophobicContact CD1-CH2 4.07Å; I84-W105 HydrophobicContact CD1-CZ2 3.75Å; I84-W105 HydrophobicContact CD1-CZ3 4.48Å; I84-L112 HydrophobicContact CD1-CD1 3.73Å; I84-L112 HydrophobicContact CG1-CD1 3.39Å; I84-A115 HydrophobicContact CD1-CB 4.3Å; I84-A115 HydrophobicContact CG2-CB 3.65Å; I84-Y116 WeakPolarHBondContact CA-OH 3.49Å; I84-Y116 HydrophobicContact CG2-CE2 4.41Å; I84-Y116 PolarHBondContact O-OH 3.48Å
85L94.6Very high92.2Very high68 Ų6857.7 Ų57.736%0.35628%0.28SS..Hα-helixtrans-62-38.1178.5-74.1166.5000112.3Q81 K82 V83 H87 H88 I95 W97Q81-L85 HydrophobicContact CG-CD1 4.03Å; Q81-L85 WeakPolarHBondContact O-CB 3.4Å; Q81-L85 VanDerWaalsContact O-CG 3.29Å; Q81-L85 WeakPolarHBondContact O-CG 3.37Å; Q81-L85 PolarHBondContact O-N 3.17Å; K82-L85 PolarHBondContact O-N 2.73Å; V83-L85 PolarHBondContact O-N 2.92Å; L85-H87 VanDerWaalsContact C-N 3.28Å; L85-H87 PolarHBondContact O-N 3.43Å; L85-H88 WeakPolarHBondContact O-CB 3.18Å; L85-H88 PolarHBondContact O-N 3.45Å; L85-I95 HydrophobicContact CD2-CD1 3.48Å; L85-I95 VanDerWaalsContact CD2-CD1 3.48Å; L85-I95 HydrophobicContact CG-CD1 4.27Å; L85-W97 HydrophobicContact CD2-CZ2 4.42Å; L85-W97 HydrophobicContact CG-CZ2 4.38Å
86R95.7Very high92.1Very high171 Ų17151.9 Ų51.965%0.64526%0.26SS*.Hα-helixtrans-63.4-35.3178.1-178.5-179.8-175.7168.65.2112.6Y51 K82 V83 I84 H88Y51-R86 PolarHBondContact OH-NH1 3.19Å; K82-R86 VanDerWaalsContact O-CB 3.28Å; K82-R86 WeakPolarHBondContact O-CB 3.5Å; K82-R86 PolarHBondContact O-N 3.33Å; V83-R86 WeakPolarHBondContact O-CB 3.24Å; V83-R86 PolarHBondContact O-N 3.04Å; I84-R86 VanDerWaalsContact C-N 3.3Å; I84-R86 PolarHBondContact O-N 3.27Å; R86-H88 VanDerWaalsContact C-N 3.31Å
87H96.6Very high92Very high25 Ų2552.2 Ų52.212%0.11626%0.261CS..THydrogen-bonded Turntrans-92.77.8-179.4-74-71.6000113F43 V83 I84 L85 Y116 D143F43-H87 AromaticContact CE2-CE1 3.88Å; F43-H87 AromaticContact CE2-CG 3.94Å; F43-H87 AromaticContact CE2-ND1 3.78Å; F43-H87 HydrophobicContact CZ-CB 3.86Å; F43-H87 AromaticContact CZ-CD2 3.84Å; F43-H87 AromaticContact CZ-CG 3.59Å; F43-H87 AromaticContact CZ-ND1 3.89Å; V83-H87 PolarHBondContact O-CD2 2.98Å; V83-H87 VanDerWaalsContact O-CD2 3.23Å; V83-H87 PolarHBondContact O-N 3.02Å; V83-H87 VanDerWaalsContact O-N 3.1Å; I84-H87 PolarHBondContact O-N 3.13Å; L85-H87 VanDerWaalsContact C-N 3.28Å; L85-H87 PolarHBondContact O-N 3.43Å; H87-Y116 WeakPolarHBondContact CB-OH 3.46Å; H87-D143 VanDerWaalsContact CB-OD1 3.29Å; H87-D143 WeakPolarHBondContact CB-OD1 3.17Å; H87-D143 IonicContact CE1-OD1 3.23Å; H87-D143 IonicContact CE1-OD2 3.46Å; H87-D143 IonicContact CG-OD1 3.99Å; H87-D143 IonicContact CG-OD2 2.98Å; H87-D143 IonicContact ND1-OD1 2.72Å; H87-D143 PolarHBondContact ND1-OD1 2.91Å; H87-D143 IonicContact ND1-OD2 3.89Å; H87-D143 PolarHBondContact ND1-OD2 3.49Å; H87-D143 PolarHBondContact O-N 3.49Å
88H96.1Very high91.8Very high12 Ų1255.1 Ų55.16%0.05628%0.279CS..BIsolated β-bridgetrans-84.9119.9173.2-152.9-79.7000110.5I84 L85 R86 Q90 Y116 Y141I84-H88 PolarHBondContact O-N 2.72Å; L85-H88 WeakPolarHBondContact O-CB 3.18Å; L85-H88 PolarHBondContact O-N 3.45Å; R86-H88 VanDerWaalsContact C-N 3.31Å; H88-Q90 PolarHBondContact CE1-O 3.4Å; H88-Q90 VanDerWaalsContact ND1-C 3.29Å; H88-Q90 PolarHBondContact ND1-N 3.01Å; H88-Q90 PolarHBondContact ND1-O 3.17Å; H88-Q90 PolarHBondContact O-N 3.33Å; H88-Y116 HydrophobicContact CB-CE1 4.15Å; H88-Y116 AromaticContact CD2-CD1 3.44Å; H88-Y116 VanDerWaalsContact CD2-CD1 3.44Å; H88-Y116 WeakPolarHBondContact CD2-CD1 3.4Å; H88-Y116 AromaticContact CD2-CE1 3.64Å; H88-Y141 CarbonylContact C-O 3.58Å; H88-Y141 WeakPolarHBondContact CA-O 3.28Å; H88-Y141 AromaticContact CE1-CD1 3.28Å; H88-Y141 WeakPolarHBondContact CE1-CD1 3.3Å; H88-Y141 AromaticContact CE1-CG 3.74Å; H88-Y141 AromaticContact NE2-CD1 3.83Å; H88-Y141 AromaticContact NE2-CG 3.81Å
89R95.3Very high91.8Very high62 Ų6253.8 Ų53.823%0.23427%0.269CS..SBendtrans-64.4-19.5178.8-64.5-168.2-157.4-167.1-0.8113.7I139 N140 Y141 C142 D143 F145 V148R89-I139 PolarHBondContact NH2-O 3.17Å; R89-N140 WeakPolarHBondContact CD-O 3.41Å; R89-Y141 PolarHBondContact N-O 3.4Å; R89-C142 PolarHBondContact NE-O 3.22Å; R89-C142 PolarHBondContact NH2-O 3.44Å; R89-D143 HydrophobicContact CG-CB 4.05Å; R89-F145 PolarHBondContact NH2-O 3.31Å; R89-V148 PolarHBondContact NH1-O 3.4Å
90Q89.9Confident91.6Very high71 Ų7151.6 Ų51.633%0.33226%0.259SS..  trans-127.183.2178.8-63.4-168.8-11.200109.4H88 D92 A93 Y141H88-Q90 PolarHBondContact CE1-O 3.4Å; H88-Q90 VanDerWaalsContact ND1-C 3.29Å; H88-Q90 PolarHBondContact ND1-N 3.01Å; H88-Q90 PolarHBondContact ND1-O 3.17Å; H88-Q90 PolarHBondContact O-N 3.33Å; Q90-D92 PolarHBondContact O-N 2.88Å; Q90-D92 VanDerWaalsContact O-N 3.09Å; Q90-A93 HydrophobicContact CB-CB 3.87Å; Q90-A93 VanDerWaalsContact O-CB 3.29Å; Q90-A93 WeakPolarHBondContact O-CB 3.3Å; Q90-A93 PolarHBondContact O-N 3.39Å; Q90-Y141 HydrophobicContact CB-CD1 4.33Å; Q90-Y141 HydrophobicContact CB-CE1 4.41Å; Q90-Y141 HydrophobicContact CG-CD1 4.39Å; Q90-Y141 HydrophobicContact CG-CE1 4.42Å; Q90-Y141 VanDerWaalsContact OE1-CE1 3.26Å
91P79.4Confident91.4Very high91 Ų9155 Ų5559%0.59127%0.274SS*.THydrogen-bonded Turntrans-58.6-25.1-173.1-26.935.9000114.5
92D83.8Confident91.3Very high165 Ų16553.2 Ų53.288%0.88227%0.266SS*.THydrogen-bonded Turntrans-86.3-6179.2-54.9-46.8000113.5Q90Q90-D92 PolarHBondContact O-N 2.88Å; Q90-D92 VanDerWaalsContact O-N 3.09Å
93A84.3Confident91.2Very high27 Ų2754 Ų5422%0.22327%0.266CS..SBendtrans-72.5143.8178.800000111.1Q90 I95 Y141Q90-A93 HydrophobicContact CB-CB 3.87Å; Q90-A93 VanDerWaalsContact O-CB 3.29Å; Q90-A93 WeakPolarHBondContact O-CB 3.3Å; Q90-A93 PolarHBondContact O-N 3.39Å; A93-I95 PolarHBondContact O-N 2.89Å; A93-Y141 HydrophobicContact CB-CE1 4.14Å
94T86.5Confident91.1Very high87 Ų8758.8 Ų58.853%0.53429%0.285SS..PPolyproline II helixtrans-66.9123176.1-58.70000110.7N68N68-T94 HydrophobicContact CB-CG2 4.04Å; N68-T94 VanDerWaalsContact ND2-CG2 3.26Å; N68-T94 WeakPolarHBondContact ND2-CG2 3.42Å
95I90.4Very high91Very high9 Ų958.8 Ų58.85%0.04629%0.285CS..PPolyproline II helixtrans-92.3124.2171-64.5177.8000109.7I84 L85 A93 W97 A115I84-I95 HydrophobicContact CG2-CD1 4.24Å; L85-I95 HydrophobicContact CD2-CD1 3.48Å; L85-I95 VanDerWaalsContact CD2-CD1 3.48Å; L85-I95 HydrophobicContact CG-CD1 4.27Å; A93-I95 PolarHBondContact O-N 2.89Å; I95-W97 VanDerWaalsContact C-N 3.27Å; I95-W97 HydrophobicContact CB-CD2 4.34Å; I95-W97 HydrophobicContact CB-CZ2 3.95Å; I95-W97 HydrophobicContact CD1-CH2 3.94Å; I95-W97 HydrophobicContact CD1-CZ2 3.62Å; I95-W97 HydrophobicContact CG1-CZ2 4.38Å; I95-W97 HydrophobicContact CG2-CD2 3.53Å; I95-W97 VanDerWaalsContact CG2-CE2 3.41Å; I95-W97 HydrophobicContact CG2-CE3 3.85Å; I95-W97 HydrophobicContact CG2-CG 3.99Å; I95-W97 HydrophobicContact CG2-CH2 3.97Å; I95-W97 HydrophobicContact CG2-CZ2 3.67Å; I95-W97 HydrophobicContact CG2-CZ3 4.06Å; I95-W97 VanDerWaalsContact O-CD1 3.26Å; I95-W97 PolarHBondContact O-N 3.06Å; I95-A115 HydrophobicContact CG2-CB 4.22Å; I95-A115 WeakPolarHBondContact CG2-O 3.38Å
96H89.8Confident91.1Very high51 Ų5160.3 Ų60.324%0.23629%0.286CS..  trans-79.873.3174.9-61.1-63000110.8T98 N99 R119H96-T98 PolarHBondContact O-N 3.4Å; H96-N99 VanDerWaalsContact O-CB 3.32Å; H96-N99 WeakPolarHBondContact O-CB 3.37Å; H96-N99 PolarHBondContact O-N 3.31Å; H96-R119 PolarHBondContact CD2-N 3.38Å
97W91.3Very high91.1Very high10 Ų1057.2 Ų57.24%0.03829%0.286CS..G310 helixtrans-57.7-26-177.8-63100.3000112.9P65 Q81 I84 L85 I95 N99 C100 W105 A115P65-W97 HydrophobicContact CB-CB 3.82Å; P65-W97 WeakPolarHBondContact CB-O 3.37Å; P65-W97 HydrophobicContact CG-CB 4.36Å; P65-W97 WeakPolarHBondContact CG-O 3.32Å; Q81-W97 HydrophobicContact CB-CH2 4.38Å; Q81-W97 HydrophobicContact CG-CH2 3.64Å; Q81-W97 HydrophobicContact CG-CZ2 3.74Å; Q81-W97 HydrophobicContact CG-CZ3 4.35Å; I84-W97 HydrophobicContact CB-CH2 4.19Å; I84-W97 HydrophobicContact CD1-CH2 4.44Å; I84-W97 HydrophobicContact CD1-CZ3 3.95Å; I84-W97 HydrophobicContact CG2-CH2 3.77Å; I84-W97 HydrophobicContact CG2-CZ3 4.1Å; L85-W97 HydrophobicContact CD2-CZ2 4.42Å; L85-W97 HydrophobicContact CG-CZ2 4.38Å; I95-W97 VanDerWaalsContact C-N 3.27Å; I95-W97 HydrophobicContact CB-CD2 4.34Å; I95-W97 HydrophobicContact CB-CZ2 3.95Å; I95-W97 HydrophobicContact CD1-CH2 3.94Å; I95-W97 HydrophobicContact CD1-CZ2 3.62Å; I95-W97 HydrophobicContact CG1-CZ2 4.38Å; I95-W97 HydrophobicContact CG2-CD2 3.53Å; I95-W97 VanDerWaalsContact CG2-CE2 3.41Å; I95-W97 HydrophobicContact CG2-CE3 3.85Å; I95-W97 HydrophobicContact CG2-CG 3.99Å; I95-W97 HydrophobicContact CG2-CH2 3.97Å; I95-W97 HydrophobicContact CG2-CZ2 3.67Å; I95-W97 HydrophobicContact CG2-CZ3 4.06Å; I95-W97 VanDerWaalsContact O-CD1 3.26Å; I95-W97 PolarHBondContact O-N 3.06Å; W97-N99 PolarHBondContact O-N 3.47Å; W97-C100 WeakPolarHBondContact O-CA 3.41Å; W97-C100 VanDerWaalsContact O-CB 3.31Å; W97-C100 WeakPolarHBondContact O-CB 3.32Å; W97-C100 PolarHBondContact O-N 2.95Å; W97-W105 HydrophobicContact CE3-CH2 4.09Å; W97-W105 HydrophobicContact CE3-CZ2 4.03Å; W97-W105 AromaticContact CZ3-CH2 3.9Å; W97-W105 HydrophobicContact CZ3-CH2 3.9Å; W97-W105 AromaticContact CZ3-CZ2 3.91Å; W97-W105 HydrophobicContact CZ3-CZ2 3.91Å; W97-A115 HydrophobicContact CZ3-CB 4.34Å
98T90.2Very high91.1Very high62 Ų6258.3 Ų58.338%0.3829%0.292SS..G310 helixtrans-57.9-21.6173.644.70000114.3P65 G67 H96 C100 A122P65-T98 HydrophobicContact CB-CG2 4.34Å; G67-T98 WeakPolarHBondContact O-CG2 3.45Å; H96-T98 PolarHBondContact O-N 3.4Å; T98-C100 PolarHBondContact O-N 3.33Å; T98-A122 WeakPolarHBondContact O-CB 3.21Å
99N92Very high91.1Very high3 Ų359.4 Ų59.42%0.01630%0.298CS..G310 helixtrans-66.2-23.6169.7-69.5-21.4000112.5H96 W97 K114 P118 G120 Q121H96-N99 VanDerWaalsContact O-CB 3.32Å; H96-N99 WeakPolarHBondContact O-CB 3.37Å; H96-N99 PolarHBondContact O-N 3.31Å; W97-N99 PolarHBondContact O-N 3.47Å; N99-K114 HydrophobicContact CB-CB 3.99Å; N99-K114 PolarHBondContact ND2-O 3.01Å; N99-K114 WeakPolarHBondContact O-CD 3.41Å; N99-P118 PolarHBondContact ND2-O 3.38Å; N99-G120 PolarHBondContact OD1-N 2.82Å; N99-Q121 HydrophobicContact CB-CB 4.13Å; N99-Q121 PolarHBondContact OD1-N 2.95Å
100C92.4Very high91.2Very high1 Ų157.2 Ų57.21%0.00729%0.289CS..  trans-100.4149.8-166.4-59.90000114P65 W97 T98 W105 E111P65-C100 WeakPolarHBondContact CG-O 3.45Å; W97-C100 WeakPolarHBondContact O-CA 3.41Å; W97-C100 VanDerWaalsContact O-CB 3.31Å; W97-C100 WeakPolarHBondContact O-CB 3.32Å; W97-C100 PolarHBondContact O-N 2.95Å; T98-C100 PolarHBondContact O-N 3.33Å; C100-W105 HydrophobicContact CB-CZ2 3.76Å; C100-E111 VanDerWaalsContact C-OE1 3.23Å; C100-E111 WeakPolarHBondContact CA-OE1 3.19Å
101F91.6Very high91.5Very high74 Ų7454 Ų5433%0.32528%0.275SS..  trans-121.892.8169.1-65.1-78.7000107.8R103 Y104 E111 A122F101-R103 PolarHBondContact O-N 2.85Å; F101-Y104 HydrophobicContact CB-CD2 3.6Å; F101-Y104 HydrophobicContact CB-CE2 3.94Å; F101-Y104 HydrophobicContact CG-CD2 4.39Å; F101-Y104 HydrophobicContact CG-CE2 4.37Å; F101-Y104 PolarHBondContact O-N 3.47Å; F101-E111 HydrophobicContact CB-CG 4.48Å; F101-E111 PolarHBondContact N-OE1 2.88Å; F101-A122 VanDerWaalsContact CE2-O 3.3Å; F101-A122 WeakPolarHBondContact CE2-O 3.18Å
102P91.8Very high92.3Very high7 Ų749.7 Ų49.75%0.04525%0.246CC..THydrogen-bonded Turntrans-51.9-25.9-171.7-28.831.6000115.8L70 C77 Y104 W105L70-P102 HydrophobicContact CD1-CG 3.74Å; L70-P102 HydrophobicContact CD2-CG 4.13Å; C77-P102 HydrophobicContact CB-CB 4.41Å; C77-P102 VanDerWaalsContact SG-CB 3.51Å; P102-Y104 PolarHBondContact O-N 3.18Å; P102-W105 HydrophobicContact CB-CD2 4.18Å; P102-W105 HydrophobicContact CB-CE3 3.66Å; P102-W105 HydrophobicContact CB-CH2 4.09Å; P102-W105 HydrophobicContact CB-CZ3 3.63Å; P102-W105 HydrophobicContact CG-CE3 4.41Å; P102-W105 HydrophobicContact CG-CH2 3.96Å; P102-W105 HydrophobicContact CG-CZ2 4.29Å; P102-W105 HydrophobicContact CG-CZ3 4Å; P102-W105 PolarHBondContact O-N 3.31Å
103R91.2Very high93Very high135 Ų13541.9 Ų41.951%0.50920%0.204SC..THydrogen-bonded Turntrans-61.1-26.1176.674.7-179.1103.6-179.57.7113.8C58 F101C58-R103 HydrophobicContact CB-CB 4.49Å; F101-R103 PolarHBondContact O-N 2.85Å
104Y93.7Very high93.6Very high104 Ų10441 Ų4141%0.40820%0.195SC..THydrogen-bonded Turntrans-99.8-8.9-178.4-48.9-62.4000113.8F101 P102 R106 T107 D108F101-Y104 HydrophobicContact CB-CD2 3.6Å; F101-Y104 HydrophobicContact CB-CE2 3.94Å; F101-Y104 HydrophobicContact CG-CD2 4.39Å; F101-Y104 HydrophobicContact CG-CE2 4.37Å; F101-Y104 PolarHBondContact O-N 3.47Å; P102-Y104 PolarHBondContact O-N 3.18Å; Y104-R106 PolarHBondContact O-N 2.9Å; Y104-T107 PolarHBondContact O-N 3.4Å; Y104-T107 PolarHBondContact O-OG1 3.01Å; Y104-D108 PolarHBondContact O-N 3.42Å
105W95Very high94Very high0 Ų036.9 Ų36.90%017%0.171CC..THydrogen-bonded Turntrans-52.7-31177.3-72.9-27.4000113.8H44 L70 C77 W80 I84 W97 C100 P102 E111H44-W105 PolarHBondContact NE2-O 3.21Å; L70-W105 HydrophobicContact CD2-CH2 3.85Å; L70-W105 HydrophobicContact CD2-CZ3 4.12Å; C77-W105 HydrophobicContact CB-CZ3 4.44Å; W80-W105 HydrophobicContact CB-CD2 4.14Å; W80-W105 HydrophobicContact CB-CE3 3.25Å; W80-W105 HydrophobicContact CB-CZ3 3.52Å; W80-W105 HydrophobicContact CD2-CB 3.72Å; W80-W105 HydrophobicContact CD2-CE3 4.33Å; W80-W105 HydrophobicContact CD2-CG 4.39Å; W80-W105 HydrophobicContact CE3-CB 4.13Å; W80-W105 HydrophobicContact CG-CB 4.05Å; W80-W105 HydrophobicContact CG-CD2 4.23Å; W80-W105 AromaticContact CG-CE3 3.57Å; W80-W105 HydrophobicContact CG-CE3 3.57Å; W80-W105 HydrophobicContact CG-CG 4.49Å; W80-W105 HydrophobicContact CG-CZ3 4.32Å; W80-W105 VanDerWaalsContact CH2-O 3.29Å; W80-W105 WeakPolarHBondContact CH2-O 3.36Å; W80-W105 HydrophobicContact CZ2-CB 4.18Å; W80-W105 VanDerWaalsContact CZ2-O 3.26Å; W80-W105 WeakPolarHBondContact CZ2-O 3.47Å; I84-W105 HydrophobicContact CD1-CD2 4.23Å; I84-W105 HydrophobicContact CD1-CH2 4.07Å; I84-W105 HydrophobicContact CD1-CZ2 3.75Å; I84-W105 HydrophobicContact CD1-CZ3 4.48Å; W97-W105 HydrophobicContact CE3-CH2 4.09Å; W97-W105 HydrophobicContact CE3-CZ2 4.03Å; W97-W105 AromaticContact CZ3-CH2 3.9Å; W97-W105 HydrophobicContact CZ3-CH2 3.9Å; W97-W105 AromaticContact CZ3-CZ2 3.91Å; W97-W105 HydrophobicContact CZ3-CZ2 3.91Å; C100-W105 HydrophobicContact CB-CZ2 3.76Å; P102-W105 HydrophobicContact CB-CD2 4.18Å; P102-W105 HydrophobicContact CB-CE3 3.66Å; P102-W105 HydrophobicContact CB-CH2 4.09Å; P102-W105 HydrophobicContact CB-CZ3 3.63Å; P102-W105 HydrophobicContact CG-CE3 4.41Å; P102-W105 HydrophobicContact CG-CH2 3.96Å; P102-W105 HydrophobicContact CG-CZ2 4.29Å; P102-W105 HydrophobicContact CG-CZ3 4Å; P102-W105 PolarHBondContact O-N 3.31Å; W105-E111 PolarHBondContact NE1-O 3.09Å
106R95.8Very high94.3Very high100 Ų10036.6 Ų36.638%0.37717%0.169SC..THydrogen-bonded Turntrans-68.2-34.4175.7175.6-178167.6179.54.1113.8H44 L48 R55 Y104H44-R106 PolarHBondContact CE1-O 3.38Å; L48-R106 HydrophobicContact CD2-CG 4.47Å; R55-R106 PolarHBondContact O-NE 3.41Å; R55-R106 VanDerWaalsContact O-NE 3.09Å; R55-R106 PolarHBondContact O-NH1 3.31Å; R55-R106 PolarHBondContact O-NH2 2.9Å; Y104-R106 PolarHBondContact O-N 2.9Å
107T95.9Very high94.5Very high106 Ų10634.4 Ų34.465%0.6516%0.159SC*.THydrogen-bonded Turntrans-115.6-13-16551.70000113.6Y104Y104-T107 PolarHBondContact O-N 3.4Å; Y104-T107 PolarHBondContact O-OG1 3.01Å
108D96.4Very high94.5Very high47 Ų4735.4 Ų35.425%0.25117%0.167SC..  trans-133111.9-173.7-175.6-9.3000109.5Y104 W110 E111 L112Y104-D108 PolarHBondContact O-N 3.42Å; D108-W110 VanDerWaalsContact C-N 3.28Å; D108-W110 PolarHBondContact O-N 3.39Å; D108-W110 WeakPolarHBondContact OD1-CA 3.39Å; D108-W110 WeakPolarHBondContact OD1-CB 3.3Å; D108-W110 PolarHBondContact OD1-N 3.32Å; D108-E111 HydrophobicContact CB-CB 3.91Å; D108-E111 PolarHBondContact O-N 3.01Å; D108-E111 PolarHBondContact OD1-N 3.23Å; D108-L112 PolarHBondContact O-N 3.3Å
109H97.3Very high94.4Very high36 Ų3636.6 Ų36.617%0.16716%0.164CC..Hα-helixtrans-70-25.417858.9-81.1000112.6D37 L40 T41 H44 L112 A113D37-H109 IonicContact OD1-CD2 3.66Å; D37-H109 IonicContact OD1-CE1 3.62Å; D37-H109 IonicContact OD1-NE2 3.66Å; D37-H109 PolarHBondContact OD1-NE2 3.29Å; L40-H109 HydrophobicContact CB-CB 4.38Å; T41-H109 PolarHBondContact OG1-CE1 3.34Å; T41-H109 PolarHBondContact OG1-NE2 3.3Å; H44-H109 HydrophobicContact CB-CB 3.7Å; H109-L112 WeakPolarHBondContact O-CB 3.33Å; H109-L112 PolarHBondContact O-N 3.14Å; H109-A113 PolarHBondContact O-N 3.39Å
110W97.5Very high94.1Very high16 Ų1637.3 Ų37.36%0.06117%0.172CC..Hα-helixtrans-74.2-31.5173.8-75.1105.3000111.8L33 D37 L40 D108 L112 A113 K114 M117 A127 F130 L135 L138L33-W110 HydrophobicContact CD1-CH2 4.07Å; L33-W110 HydrophobicContact CD1-CZ2 3.97Å; D37-W110 HydrophobicContact CB-CZ2 3.95Å; D37-W110 PolarHBondContact OD1-NE1 3.41Å; L40-W110 HydrophobicContact CD1-CD2 4.19Å; L40-W110 HydrophobicContact CD1-CE3 3.86Å; L40-W110 HydrophobicContact CD1-CH2 3.99Å; L40-W110 HydrophobicContact CD1-CZ2 4.27Å; L40-W110 HydrophobicContact CD1-CZ3 3.76Å; D108-W110 VanDerWaalsContact C-N 3.28Å; D108-W110 PolarHBondContact O-N 3.39Å; D108-W110 WeakPolarHBondContact OD1-CA 3.39Å; D108-W110 WeakPolarHBondContact OD1-CB 3.3Å; D108-W110 PolarHBondContact OD1-N 3.32Å; W110-L112 VanDerWaalsContact C-N 3.28Å; W110-L112 PolarHBondContact O-N 3Å; W110-A113 HydrophobicContact CE3-CB 3.94Å; W110-A113 HydrophobicContact CZ3-CB 4.46Å; W110-A113 WeakPolarHBondContact O-CB 3.5Å; W110-A113 PolarHBondContact O-N 3.17Å; W110-A113 VanDerWaalsContact O-N 3.14Å; W110-K114 WeakPolarHBondContact O-CG 3.44Å; W110-K114 PolarHBondContact O-N 3.18Å; W110-K114 VanDerWaalsContact O-N 3.1Å; W110-M117 HydrophobicContact CE3-CE 3.92Å; W110-M117 HydrophobicContact CZ3-CE 3.7Å; W110-A127 HydrophobicContact CD2-CB 4.23Å; W110-A127 VanDerWaalsContact CE2-CB 3.49Å; W110-A127 HydrophobicContact CZ2-CB 3.73Å; W110-F130 HydrophobicContact CB-CE2 4.11Å; W110-F130 HydrophobicContact CB-CZ 4.43Å; W110-F130 HydrophobicContact CD2-CD2 4.17Å; W110-F130 AromaticContact CD2-CE2 3.66Å; W110-F130 HydrophobicContact CD2-CE2 3.66Å; W110-F130 AromaticContact CE3-CD2 3.59Å; W110-F130 HydrophobicContact CE3-CD2 3.59Å; W110-F130 AromaticContact CE3-CE2 3.23Å; W110-F130 HydrophobicContact CE3-CE2 3.23Å; W110-F130 AromaticContact CE3-CZ 3.97Å; W110-F130 HydrophobicContact CE3-CZ 3.97Å; W110-F130 HydrophobicContact CG-CE2 4.05Å; W110-F130 HydrophobicContact CH2-CD2 4.37Å; W110-F130 AromaticContact CZ3-CD2 3.7Å; W110-F130 HydrophobicContact CZ3-CD2 3.7Å; W110-F130 AromaticContact CZ3-CE2 3.87Å; W110-F130 HydrophobicContact CZ3-CE2 3.87Å; W110-F130 HydrophobicContact CZ3-CG 4.46Å; W110-L135 HydrophobicContact CH2-CD2 3.77Å; W110-L135 HydrophobicContact CZ3-CD2 3.91Å; W110-L138 HydrophobicContact CZ3-CD2 4.16Å
111E96.1Very high94Very high4 Ų437.4 Ų37.42%0.01917%0.173CC..Hα-helixtrans-64.6-35.8171.8-164.763.9-140.700112.1C100 F101 W105 D108 K114C100-E111 VanDerWaalsContact C-OE1 3.23Å; C100-E111 WeakPolarHBondContact CA-OE1 3.19Å; F101-E111 HydrophobicContact CB-CG 4.48Å; F101-E111 PolarHBondContact N-OE1 2.88Å; W105-E111 PolarHBondContact NE1-O 3.09Å; D108-E111 HydrophobicContact CB-CB 3.91Å; D108-E111 PolarHBondContact O-N 3.01Å; D108-E111 PolarHBondContact OD1-N 3.23Å; E111-K114 IonicContact OE1-NZ 3.53Å; E111-K114 IonicContact OE2-NZ 3.82Å; E111-K114 PolarHBondContact OE2-NZ 3.2Å
112L96.1Very high93.9Very high0 Ų035.3 Ų35.30%017%0.169CC..Hα-helixtrans-64.7-43.6170.5171.965.9000110.9F43 L47 W80 I84 D108 H109 W110 K114 A115F43-L112 HydrophobicContact CD1-CD2 4.19Å; F43-L112 HydrophobicContact CE1-CD2 4.03Å; L47-L112 HydrophobicContact CD1-CD2 3.79Å; W80-L112 HydrophobicContact CE3-CD1 4.08Å; W80-L112 HydrophobicContact CZ3-CD1 3.92Å; W80-L112 HydrophobicContact CZ3-CD2 4.18Å; I84-L112 HydrophobicContact CD1-CD1 3.73Å; I84-L112 HydrophobicContact CG1-CD1 3.39Å; D108-L112 PolarHBondContact O-N 3.3Å; H109-L112 WeakPolarHBondContact O-CB 3.33Å; H109-L112 PolarHBondContact O-N 3.14Å; W110-L112 VanDerWaalsContact C-N 3.28Å; W110-L112 PolarHBondContact O-N 3Å; L112-K114 VanDerWaalsContact C-N 3.29Å; L112-K114 PolarHBondContact O-N 3.47Å; L112-A115 PolarHBondContact O-N 2.74Å
113A97.7Very high93.7Very high0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-61.2-34.3-176.800000113.5L40 H109 W110 A115 Y116 M117 L138L40-A113 HydrophobicContact CD1-CB 3.52Å; L40-A113 HydrophobicContact CD2-CB 3.95Å; L40-A113 HydrophobicContact CG-CB 4.4Å; H109-A113 PolarHBondContact O-N 3.39Å; W110-A113 HydrophobicContact CE3-CB 3.94Å; W110-A113 HydrophobicContact CZ3-CB 4.46Å; W110-A113 WeakPolarHBondContact O-CB 3.5Å; W110-A113 PolarHBondContact O-N 3.17Å; W110-A113 VanDerWaalsContact O-N 3.14Å; A113-A115 PolarHBondContact O-N 2.82Å; A113-Y116 PolarHBondContact O-N 3.36Å; A113-M117 HydrophobicContact CB-CE 3.93Å; A113-L138 HydrophobicContact CB-CD1 3.99Å; A113-L138 HydrophobicContact CB-CD2 4.28Å
114K96.4Very high93.6Very high8 Ų836.1 Ų36.14%0.03518%0.176CC..G310 helixtrans-56.1-22.3179-77.2179-166.9170.70114.8N99 W110 E111 L112 Y116 M117 Q121 V124 F130N99-K114 HydrophobicContact CB-CB 3.99Å; N99-K114 PolarHBondContact ND2-O 3.01Å; N99-K114 WeakPolarHBondContact O-CD 3.41Å; W110-K114 WeakPolarHBondContact O-CG 3.44Å; W110-K114 PolarHBondContact O-N 3.18Å; W110-K114 VanDerWaalsContact O-N 3.1Å; E111-K114 IonicContact OE1-NZ 3.53Å; E111-K114 IonicContact OE2-NZ 3.82Å; E111-K114 PolarHBondContact OE2-NZ 3.2Å; L112-K114 VanDerWaalsContact C-N 3.29Å; L112-K114 PolarHBondContact O-N 3.47Å; K114-Y116 PolarHBondContact O-N 2.95Å; K114-M117 HydrophobicContact CG-SD 4.25Å; K114-M117 PolarHBondContact O-N 3.08Å; K114-Q121 WeakPolarHBondContact CE-O 3.3Å; K114-Q121 HydrophobicContact CG-CB 4.19Å; K114-V124 VanDerWaalsContact CE-O 3.25Å; K114-V124 WeakPolarHBondContact CE-O 3.48Å; K114-V124 PolarHBondContact NZ-O 2.88Å; K114-F130 HydrophobicContact CG-CE1 4.15Å; K114-F130 HydrophobicContact CG-CZ 4.14Å
115A95.1Very high93.3Very high2 Ų239.7 Ų39.72%0.01719%0.194CC..G310 helixtrans-70.6-17.8174.700000113.4I84 I95 W97 L112 A113I84-A115 HydrophobicContact CD1-CB 4.3Å; I84-A115 HydrophobicContact CG2-CB 3.65Å; I95-A115 HydrophobicContact CG2-CB 4.22Å; I95-A115 WeakPolarHBondContact CG2-O 3.38Å; W97-A115 HydrophobicContact CZ3-CB 4.34Å; L112-A115 PolarHBondContact O-N 2.74Å; A113-A115 PolarHBondContact O-N 2.82Å
116Y96.6Very high93Very high3 Ų346.6 Ų46.61%0.01222%0.22CC..G310 helixtrans-104.97.7178.7-56.1-82.4000112.5I84 H87 H88 A113 K114 N137 L138 Y141 C142I84-Y116 WeakPolarHBondContact CA-OH 3.49Å; I84-Y116 HydrophobicContact CG2-CE2 4.41Å; I84-Y116 PolarHBondContact O-OH 3.48Å; H87-Y116 WeakPolarHBondContact CB-OH 3.46Å; H88-Y116 HydrophobicContact CB-CE1 4.15Å; H88-Y116 AromaticContact CD2-CD1 3.44Å; H88-Y116 VanDerWaalsContact CD2-CD1 3.44Å; H88-Y116 WeakPolarHBondContact CD2-CD1 3.4Å; H88-Y116 AromaticContact CD2-CE1 3.64Å; A113-Y116 PolarHBondContact O-N 3.36Å; K114-Y116 PolarHBondContact O-N 2.95Å; Y116-N137 CarbonylContact O-C 3.28Å; Y116-N137 VanDerWaalsContact O-C 3.28Å; Y116-L138 HydrophobicContact CD2-CD1 4.18Å; Y116-L138 HydrophobicContact CG-CD1 4.34Å; Y116-L138 PolarHBondContact O-N 3.29Å; Y116-Y141 WeakPolarHBondContact O-CD2 3.3Å; Y116-C142 HydrophobicContact CD1-CB 3.8Å; Y116-C142 HydrophobicContact CD2-CB 4.08Å; Y116-C142 HydrophobicContact CE1-CB 3.99Å; Y116-C142 HydrophobicContact CE2-CB 4.25Å; Y116-C142 HydrophobicContact CG-CB 3.84Å
117M95.3Very high92.7Very high5 Ų543 Ų433%0.02521%0.212CC..SBendtrans-105.6157.5-175.7-67.8178.4175.600110.6W110 A113 K114 Q121 F130 A134 L138W110-M117 HydrophobicContact CE3-CE 3.92Å; W110-M117 HydrophobicContact CZ3-CE 3.7Å; A113-M117 HydrophobicContact CB-CE 3.93Å; K114-M117 HydrophobicContact CG-SD 4.25Å; K114-M117 PolarHBondContact O-N 3.08Å; M117-Q121 HydrophobicContact CB-CG 3.91Å; M117-Q121 HydrophobicContact SD-CG 4.28Å; M117-F130 HydrophobicContact CE-CD1 3.89Å; M117-F130 HydrophobicContact CE-CD2 4.42Å; M117-F130 HydrophobicContact CE-CE1 3.89Å; M117-F130 HydrophobicContact CE-CE2 4.45Å; M117-F130 HydrophobicContact CE-CG 4.18Å; M117-F130 HydrophobicContact CE-CZ 4.19Å; M117-F130 HydrophobicContact SD-CD1 3.6Å; M117-F130 VanDerWaalsContact SD-CD1 3.6Å; M117-F130 HydrophobicContact SD-CE1 3.39Å; M117-F130 WeakPolarHBondContact SD-CE1 3.47Å; M117-F130 HydrophobicContact SD-CG 4.45Å; M117-F130 HydrophobicContact SD-CZ 4.13Å; M117-A134 HydrophobicContact CE-CB 4.32Å; M117-A134 HydrophobicContact CG-CB 4.17Å; M117-A134 HydrophobicContact SD-CB 3.87Å; M117-L138 HydrophobicContact CE-CB 4.25Å; M117-L138 HydrophobicContact CE-CD2 4.1Å; M117-L138 HydrophobicContact CG-CB 4.4Å
118P91.3Very high92.4Very high31 Ų3141.6 Ų41.620%0.20120%0.2CC..  trans-59.4168.8170.829.7-38000110.6N99 Q121N99-P118 PolarHBondContact ND2-O 3.38Å; P118-Q121 VanDerWaalsContact O-CG 3.3Å; P118-Q121 WeakPolarHBondContact O-CG 3.34Å
119R86.8Confident92.2Very high87 Ų8743.3 Ų43.333%0.32821%0.206SC..SBendtrans-53.5167.3173.370.1-162.7-172-143.7-5.7113.4H96 Q121 E263 A268 D272H96-R119 PolarHBondContact CD2-N 3.38Å; R119-Q121 PolarHBondContact O-NE2 2.71Å; R119-E263 WeakPolarHBondContact CD-OE2 3.21Å; R119-E263 WeakPolarHBondContact CG-OE1 3.44Å; R119-E263 IonicContact NE-OE2 3.54Å; R119-E263 PolarHBondContact NE-OE2 2.97Å; R119-A268 VanDerWaalsContact CZ-CB 3.47Å; R119-D272 IonicContact NH2-OD2 3.69Å; R119-D272 PolarHBondContact NH2-OD2 3.38Å
120G85.5Confident92Very high18 Ų1841.7 Ų41.719%0.18620%0.199CC..SBendtrans85.36.4175.800000116.7N99N99-G120 PolarHBondContact OD1-N 2.82Å
121Q91.1Very high91.8Very high2 Ų241.2 Ų41.21%0.00920%0.198CC..  trans-94.6-0.5-174.3-51.8-56.4-38.800114.3N99 K114 M117 P118 R119 K123 V124 F130N99-Q121 HydrophobicContact CB-CB 4.13Å; N99-Q121 PolarHBondContact OD1-N 2.95Å; K114-Q121 WeakPolarHBondContact CE-O 3.3Å; K114-Q121 HydrophobicContact CG-CB 4.19Å; M117-Q121 HydrophobicContact CB-CG 3.91Å; M117-Q121 HydrophobicContact SD-CG 4.28Å; P118-Q121 VanDerWaalsContact O-CG 3.3Å; P118-Q121 WeakPolarHBondContact O-CG 3.34Å; R119-Q121 PolarHBondContact O-NE2 2.71Å; Q121-K123 VanDerWaalsContact C-N 3.32Å; Q121-K123 PolarHBondContact O-N 2.92Å; Q121-V124 WeakPolarHBondContact O-CB 3.43Å; Q121-V124 PolarHBondContact O-N 3.45Å; Q121-F130 HydrophobicContact CB-CE1 4.35Å
122A88.6Confident91.7Very high31 Ų3141.2 Ų41.226%0.25620%0.199SC..THydrogen-bonded Turntrans-57.9-42-17800000112.6T98 F101 V124T98-A122 WeakPolarHBondContact O-CB 3.21Å; F101-A122 VanDerWaalsContact CE2-O 3.3Å; F101-A122 WeakPolarHBondContact CE2-O 3.18Å; A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 3.2Å
123K88.1Confident91.7Very high153 Ų15341.5 Ų41.567%0.66520%0.2SC*.THydrogen-bonded Turntrans-81.4-10-176.3-65.1178.1-175.7169.80113.5Q121Q121-K123 VanDerWaalsContact C-N 3.32Å; Q121-K123 PolarHBondContact O-N 2.92Å
124V90Very high91.6Very high5 Ų541.5 Ų41.53%0.0320%0.2CC..  trans-74.3127.9-178.4-179.70000109.9K114 Q121 A122 E129 F130K114-V124 VanDerWaalsContact CE-O 3.25Å; K114-V124 WeakPolarHBondContact CE-O 3.48Å; K114-V124 PolarHBondContact NZ-O 2.88Å; Q121-V124 WeakPolarHBondContact O-CB 3.43Å; Q121-V124 PolarHBondContact O-N 3.45Å; A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 3.2Å; V124-E129 HydrophobicContact CG1-CB 3.74Å; V124-F130 HydrophobicContact CB-CD1 4.38Å; V124-F130 HydrophobicContact CB-CE1 3.91Å; V124-F130 HydrophobicContact CB-CZ 4.27Å; V124-F130 HydrophobicContact CG1-CD1 3.73Å; V124-F130 HydrophobicContact CG1-CD2 4.2Å; V124-F130 HydrophobicContact CG1-CE1 3.49Å; V124-F130 VanDerWaalsContact CG1-CE1 3.49Å; V124-F130 HydrophobicContact CG1-CE2 3.97Å; V124-F130 HydrophobicContact CG1-CG 4.08Å; V124-F130 HydrophobicContact CG1-CZ 3.62Å
125K86.8Confident91.7Very high179 Ų17941.1 Ų41.178%0.77820%0.199SC*.  trans-117.2-25.4-175.7-67.4-179.3-176174.40113.1E129K125-E129 PolarHBondContact N-OE2 3.33Å
126R88.4Confident91.8Very high146 Ų14641 Ų4155%0.55120%0.198SC*.SBendtrans-117.3149.2-175.7-55.9169.350139.3-6.2110.8D128 E129R126-D128 WeakPolarHBondContact CB-OD1 3.37Å; R126-D128 IonicContact CZ-OD1 3.35Å; R126-D128 IonicContact CZ-OD2 3.5Å; R126-D128 IonicContact NE-OD1 2.86Å; R126-D128 PolarHBondContact NE-OD1 3.25Å; R126-D128 IonicContact NE-OD2 2.79Å; R126-D128 IonicContact NH2-OD1 3.77Å; R126-D128 PolarHBondContact NH2-OD1 3.33Å; R126-D128 IonicContact NH2-OD2 2.93Å; R126-D128 PolarHBondContact NH2-OD2 2.62Å; R126-D128 PolarHBondContact O-N 3.07Å; R126-E129 HydrophobicContact CB-CG 4.11Å; R126-E129 PolarHBondContact N-OE2 3.39Å; R126-E129 WeakPolarHBondContact O-CB 3.29Å; R126-E129 PolarHBondContact O-N 3.14Å
127A89.8Confident91.9Very high25 Ų2541.7 Ų41.721%0.20720%0.201CC..G310 helixtrans-60-36.1-178.900000112.5L33 W110 E129 F130L33-A127 HydrophobicContact CD1-CB 3.86Å; L33-A127 WeakPolarHBondContact CD1-O 3.37Å; W110-A127 HydrophobicContact CD2-CB 4.23Å; W110-A127 VanDerWaalsContact CE2-CB 3.49Å; W110-A127 HydrophobicContact CZ2-CB 3.73Å; A127-E129 VanDerWaalsContact C-N 3.26Å; A127-E129 PolarHBondContact O-N 2.99Å; A127-F130 WeakPolarHBondContact O-CD2 3.14Å; A127-F130 PolarHBondContact O-N 3.03Å
128D90Very high92Very high76 Ų7641.4 Ų41.441%0.40620%0.2SC..G310 helixtrans-73.1-12.9-17956.1-31.3000114.5L33 R126L33-D128 HydrophobicContact CD2-CB 4.15Å; R126-D128 WeakPolarHBondContact CB-OD1 3.37Å; R126-D128 IonicContact CZ-OD1 3.35Å; R126-D128 IonicContact CZ-OD2 3.5Å; R126-D128 IonicContact NE-OD1 2.86Å; R126-D128 PolarHBondContact NE-OD1 3.25Å; R126-D128 IonicContact NE-OD2 2.79Å; R126-D128 IonicContact NH2-OD1 3.77Å; R126-D128 PolarHBondContact NH2-OD1 3.33Å; R126-D128 IonicContact NH2-OD2 2.93Å; R126-D128 PolarHBondContact NH2-OD2 2.62Å; R126-D128 PolarHBondContact O-N 3.07Å
129E91.3Very high92.3Very high82 Ų8240 Ų4038%0.38319%0.191SC..G310 helixtrans-87.1-12.6177.8-68.6171.1175.700113.3V124 K125 R126 A127 R259V124-E129 HydrophobicContact CG1-CB 3.74Å; K125-E129 PolarHBondContact N-OE2 3.33Å; R126-E129 HydrophobicContact CB-CG 4.11Å; R126-E129 PolarHBondContact N-OE2 3.39Å; R126-E129 WeakPolarHBondContact O-CB 3.29Å; R126-E129 PolarHBondContact O-N 3.14Å; A127-E129 VanDerWaalsContact C-N 3.26Å; A127-E129 PolarHBondContact O-N 2.99Å; E129-R259 PolarHBondContact O-NH2 2.96Å
130F93.3Very high92.9Very high2 Ų236 Ų361%0.00918%0.176CC..  trans-69.6131.7174.3-69.9-66.1000110.2K29 W110 K114 M117 Q121 V124 A127 A134 L135K29-F130 WeakPolarHBondContact CD-O 3.26Å; W110-F130 HydrophobicContact CB-CE2 4.11Å; W110-F130 HydrophobicContact CB-CZ 4.43Å; W110-F130 HydrophobicContact CD2-CD2 4.17Å; W110-F130 AromaticContact CD2-CE2 3.66Å; W110-F130 HydrophobicContact CD2-CE2 3.66Å; W110-F130 AromaticContact CE3-CD2 3.59Å; W110-F130 HydrophobicContact CE3-CD2 3.59Å; W110-F130 AromaticContact CE3-CE2 3.23Å; W110-F130 HydrophobicContact CE3-CE2 3.23Å; W110-F130 AromaticContact CE3-CZ 3.97Å; W110-F130 HydrophobicContact CE3-CZ 3.97Å; W110-F130 HydrophobicContact CG-CE2 4.05Å; W110-F130 HydrophobicContact CH2-CD2 4.37Å; W110-F130 AromaticContact CZ3-CD2 3.7Å; W110-F130 HydrophobicContact CZ3-CD2 3.7Å; W110-F130 AromaticContact CZ3-CE2 3.87Å; W110-F130 HydrophobicContact CZ3-CE2 3.87Å; W110-F130 HydrophobicContact CZ3-CG 4.46Å; K114-F130 HydrophobicContact CG-CE1 4.15Å; K114-F130 HydrophobicContact CG-CZ 4.14Å; M117-F130 HydrophobicContact CE-CD1 3.89Å; M117-F130 HydrophobicContact CE-CD2 4.42Å; M117-F130 HydrophobicContact CE-CE1 3.89Å; M117-F130 HydrophobicContact CE-CE2 4.45Å; M117-F130 HydrophobicContact CE-CG 4.18Å; M117-F130 HydrophobicContact CE-CZ 4.19Å; M117-F130 HydrophobicContact SD-CD1 3.6Å; M117-F130 VanDerWaalsContact SD-CD1 3.6Å; M117-F130 HydrophobicContact SD-CE1 3.39Å; M117-F130 WeakPolarHBondContact SD-CE1 3.47Å; M117-F130 HydrophobicContact SD-CG 4.45Å; M117-F130 HydrophobicContact SD-CZ 4.13Å; Q121-F130 HydrophobicContact CB-CE1 4.35Å; V124-F130 HydrophobicContact CB-CD1 4.38Å; V124-F130 HydrophobicContact CB-CE1 3.91Å; V124-F130 HydrophobicContact CB-CZ 4.27Å; V124-F130 HydrophobicContact CG1-CD1 3.73Å; V124-F130 HydrophobicContact CG1-CD2 4.2Å; V124-F130 HydrophobicContact CG1-CE1 3.49Å; V124-F130 VanDerWaalsContact CG1-CE1 3.49Å; V124-F130 HydrophobicContact CG1-CE2 3.97Å; V124-F130 HydrophobicContact CG1-CG 4.08Å; V124-F130 HydrophobicContact CG1-CZ 3.62Å; A127-F130 WeakPolarHBondContact O-CD2 3.14Å; A127-F130 PolarHBondContact O-N 3.03Å; F130-A134 HydrophobicContact CB-CB 4.02Å; F130-A134 HydrophobicContact CD1-CB 3.88Å; F130-A134 HydrophobicContact CG-CB 4.34Å; F130-L135 HydrophobicContact CB-CD2 4.08Å; F130-L135 HydrophobicContact CB-CG 4.39Å
131D93.1Very high93.5Very high7 Ų738 Ų384%0.03718%0.178CC..  trans-78.8173.1176.860.940.1000111.5S133 A134 L135 E252 R259D131-S133 PolarHBondContact O-N 3.24Å; D131-S133 VanDerWaalsContact OD1-CA 3.3Å; D131-S133 WeakPolarHBondContact OD1-CA 3.45Å; D131-S133 WeakPolarHBondContact OD1-CB 3.49Å; D131-S133 PolarHBondContact OD1-N 3.12Å; D131-A134 PolarHBondContact O-N 3.29Å; D131-A134 PolarHBondContact OD1-N 2.93Å; D131-L135 PolarHBondContact O-N 2.91Å; D131-E252 WeakPolarHBondContact CA-OE1 2.99Å; D131-E252 WeakPolarHBondContact CB-OE1 3.39Å; D131-R259 IonicContact OD2-CZ 2.62Å; D131-R259 IonicContact OD2-NH1 3.73Å; D131-R259 PolarHBondContact OD2-NH1 3.32Å
132A95.4Very high93.8Very high4 Ų437.9 Ų37.93%0.03318%0.178CC..Hα-helixtrans-59.9-32.3177.300000112.2L25 K29 L136L25-A132 HydrophobicContact CD1-CB 3.56Å; L25-A132 HydrophobicContact CD2-CB 4.18Å; L25-A132 HydrophobicContact CG-CB 3.69Å; K29-A132 HydrophobicContact CB-CB 4.14Å; K29-A132 HydrophobicContact CG-CB 4.37Å; A132-L136 VanDerWaalsContact O-CB 3.29Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 WeakPolarHBondContact O-CD1 3.43Å; A132-L136 WeakPolarHBondContact O-CG 3.49Å; A132-L136 PolarHBondContact O-N 2.89Å
133S94.9Very high94.2Very high5 Ų538.9 Ų38.94%0.03518%0.179CC..Hα-helixtrans-61.8-48.4176.7-156.40000111.7D131 L135 L136 N137 R160D131-S133 PolarHBondContact O-N 3.24Å; D131-S133 VanDerWaalsContact OD1-CA 3.3Å; D131-S133 WeakPolarHBondContact OD1-CA 3.45Å; D131-S133 WeakPolarHBondContact OD1-CB 3.49Å; D131-S133 PolarHBondContact OD1-N 3.12Å; S133-L135 PolarHBondContact O-N 3.2Å; S133-L136 PolarHBondContact O-N 3.19Å; S133-N137 VanDerWaalsContact O-CB 3.27Å; S133-N137 WeakPolarHBondContact O-CB 3.5Å; S133-N137 PolarHBondContact O-N 3.49Å; S133-N137 PolarHBondContact O-ND2 3.12Å; S133-N137 PolarHBondContact OG-ND2 2.92Å; S133-R160 VanDerWaalsContact OG-CZ 3.29Å; S133-R160 PolarHBondContact OG-NH2 3.24Å
134A96Very high94.6Very high0 Ų032.6 Ų32.60%015%0.154CC..Hα-helixtrans-59.5-48.3-178.600000110.7M117 F130 D131 L138M117-A134 HydrophobicContact CE-CB 4.32Å; M117-A134 HydrophobicContact CG-CB 4.17Å; M117-A134 HydrophobicContact SD-CB 3.87Å; F130-A134 HydrophobicContact CB-CB 4.02Å; F130-A134 HydrophobicContact CD1-CB 3.88Å; F130-A134 HydrophobicContact CG-CB 4.34Å; D131-A134 PolarHBondContact O-N 3.29Å; D131-A134 PolarHBondContact OD1-N 2.93Å; A134-L138 VanDerWaalsContact O-CB 3.26Å; A134-L138 WeakPolarHBondContact O-CB 3.48Å; A134-L138 PolarHBondContact O-N 3.32Å
135L98Very high95Very high1 Ų132.4 Ų32.41%0.00515%0.153CC..Hα-helixtrans-66.8-42.8179.6-59.4-176.4000112.4K29 L32 L33 W110 F130 D131 S133 L138 I139K29-L135 HydrophobicContact CG-CD1 3.98Å; K29-L135 WeakPolarHBondContact O-CD1 3.29Å; L32-L135 HydrophobicContact CB-CB 4.46Å; L32-L135 HydrophobicContact CB-CD1 4.03Å; L32-L135 HydrophobicContact CD1-CB 4.37Å; L33-L135 HydrophobicContact CB-CD1 4.31Å; W110-L135 HydrophobicContact CH2-CD2 3.77Å; W110-L135 HydrophobicContact CZ3-CD2 3.91Å; F130-L135 HydrophobicContact CB-CD2 4.08Å; F130-L135 HydrophobicContact CB-CG 4.39Å; D131-L135 PolarHBondContact O-N 2.91Å; S133-L135 PolarHBondContact O-N 3.2Å; L135-L138 WeakPolarHBondContact O-CB 3.41Å; L135-L138 PolarHBondContact O-N 3.04Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.03Å; L135-I139 PolarHBondContact O-N 2.95Å; L135-I139 VanDerWaalsContact O-N 3.13Å
136L98.3Very high95.3Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-66.7-42.9178.6-70.6167.3000111.8L28 L32 A132 S133 I139 N140 V153 V156 I157 F186L28-L136 HydrophobicContact CD2-CD2 4.37Å; L32-L136 HydrophobicContact CD1-CD2 3.9Å; L32-L136 HydrophobicContact CD1-CG 4.31Å; A132-L136 VanDerWaalsContact O-CB 3.29Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 WeakPolarHBondContact O-CD1 3.43Å; A132-L136 WeakPolarHBondContact O-CG 3.49Å; A132-L136 PolarHBondContact O-N 2.89Å; S133-L136 PolarHBondContact O-N 3.19Å; L136-I139 PolarHBondContact O-N 2.9Å; L136-N140 WeakPolarHBondContact O-CB 3.29Å; L136-N140 PolarHBondContact O-N 3.41Å; L136-V153 HydrophobicContact CB-CG1 4.25Å; L136-V153 HydrophobicContact CD2-CG1 4.19Å; L136-V153 WeakPolarHBondContact O-CG1 3.28Å; L136-V156 HydrophobicContact CD1-CG1 3.8Å; L136-V156 HydrophobicContact CD2-CB 4.41Å; L136-V156 HydrophobicContact CD2-CG1 4.06Å; L136-I157 HydrophobicContact CB-CD1 4.04Å; L136-I157 HydrophobicContact CB-CG1 3.6Å; L136-I157 HydrophobicContact CD1-CG1 4.2Å; L136-I157 HydrophobicContact CG-CG1 4.45Å; L136-F186 HydrophobicContact CD2-CE1 3.78Å; L136-F186 HydrophobicContact CD2-CZ 3.97Å
137N97.8Very high95.5Very high16 Ų1624.5 Ų24.59%0.08614%0.143CC..Hα-helixtrans-65.8-40.2177.4-81.1-76.3000111.7Y116 S133 I139 N140 Y141Y116-N137 CarbonylContact O-C 3.28Å; Y116-N137 VanDerWaalsContact O-C 3.28Å; S133-N137 VanDerWaalsContact O-CB 3.27Å; S133-N137 WeakPolarHBondContact O-CB 3.5Å; S133-N137 PolarHBondContact O-N 3.49Å; S133-N137 PolarHBondContact O-ND2 3.12Å; S133-N137 PolarHBondContact OG-ND2 2.92Å; N137-I139 VanDerWaalsContact C-N 3.31Å; N137-I139 PolarHBondContact O-N 3.5Å; N137-N140 PolarHBondContact O-N 2.83Å; N137-N140 VanDerWaalsContact O-N 3.12Å; N137-Y141 HydrophobicContact CB-CD2 4.02Å; N137-Y141 HydrophobicContact CB-CE2 4.11Å; N137-Y141 WeakPolarHBondContact O-CB 3.43Å; N137-Y141 WeakPolarHBondContact O-CD2 3.49Å; N137-Y141 PolarHBondContact O-N 3.35Å; N137-Y141 VanDerWaalsContact OD1-CE2 3.24Å; N137-Y141 WeakPolarHBondContact OD1-CE2 3.39Å
138L98.1Very high95.9Very high0 Ų023.4 Ų23.40%013%0.133CC..Hα-helixtrans-53.8-48.9172.3168.464.8000111.5T36 L40 W110 A113 Y116 M117 A134 L135 N140 Y141 C142 F145T36-L138 HydrophobicContact CG2-CD2 4.3Å; L40-L138 HydrophobicContact CD1-CD2 3.59Å; L40-L138 HydrophobicContact CD2-CD1 4.2Å; L40-L138 HydrophobicContact CG-CD2 4.19Å; W110-L138 HydrophobicContact CZ3-CD2 4.16Å; A113-L138 HydrophobicContact CB-CD1 3.99Å; A113-L138 HydrophobicContact CB-CD2 4.28Å; Y116-L138 HydrophobicContact CD2-CD1 4.18Å; Y116-L138 HydrophobicContact CG-CD1 4.34Å; Y116-L138 PolarHBondContact O-N 3.29Å; M117-L138 HydrophobicContact CE-CB 4.25Å; M117-L138 HydrophobicContact CE-CD2 4.1Å; M117-L138 HydrophobicContact CG-CB 4.4Å; A134-L138 VanDerWaalsContact O-CB 3.26Å; A134-L138 WeakPolarHBondContact O-CB 3.48Å; A134-L138 PolarHBondContact O-N 3.32Å; L135-L138 WeakPolarHBondContact O-CB 3.41Å; L135-L138 PolarHBondContact O-N 3.04Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 2.77Å; L138-Y141 PolarHBondContact O-N 3.43Å; L138-C142 HydrophobicContact CD1-CB 4.08Å; L138-C142 VanDerWaalsContact O-CB 3.28Å; L138-C142 WeakPolarHBondContact O-CB 3.46Å; L138-C142 PolarHBondContact O-N 3.24Å; L138-F145 HydrophobicContact CD1-CE2 4Å; L138-F145 HydrophobicContact CD2-CE2 4.09Å; L138-F145 HydrophobicContact CD2-CZ 4.11Å; L138-F145 HydrophobicContact CG-CE2 3.67Å; L138-F145 HydrophobicContact CG-CZ 4.19Å
139I98.2Very high96.2Very high0 Ų022.7 Ų22.70%013%0.129CC..Hα-helixtrans-65.1-38.5178.5-64.3166.8000111.2L32 F35 T36 R89 L135 L136 N137 F145 V148 V153 F186L32-I139 HydrophobicContact CD1-CD1 4.17Å; L32-I139 HydrophobicContact CD2-CD1 3.9Å; F35-I139 HydrophobicContact CE1-CD1 4.42Å; T36-I139 HydrophobicContact CG2-CD1 3.86Å; T36-I139 HydrophobicContact CG2-CG1 3.93Å; R89-I139 PolarHBondContact NH2-O 3.17Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.03Å; L135-I139 PolarHBondContact O-N 2.95Å; L135-I139 VanDerWaalsContact O-N 3.13Å; L136-I139 PolarHBondContact O-N 2.9Å; N137-I139 VanDerWaalsContact C-N 3.31Å; N137-I139 PolarHBondContact O-N 3.5Å; I139-F145 HydrophobicContact CB-CD2 4.49Å; I139-F145 HydrophobicContact CB-CG 4.37Å; I139-F145 HydrophobicContact CG1-CD1 4.11Å; I139-F145 HydrophobicContact CG1-CD2 4.33Å; I139-F145 HydrophobicContact CG1-CE1 4.23Å; I139-F145 HydrophobicContact CG1-CE2 4.46Å; I139-F145 HydrophobicContact CG1-CG 4.16Å; I139-F145 HydrophobicContact CG1-CZ 4.41Å; I139-F145 HydrophobicContact CG2-CB 4.04Å; I139-F145 HydrophobicContact CG2-CG 4.28Å; I139-V148 HydrophobicContact CG2-CB 3.99Å; I139-V148 HydrophobicContact CG2-CG1 3.76Å; I139-V148 HydrophobicContact CG2-CG2 4.25Å; I139-V153 HydrophobicContact CB-CG1 4.48Å; I139-V153 HydrophobicContact CG2-CG1 4.48Å; I139-V153 HydrophobicContact CG2-CG2 3.78Å; I139-F186 HydrophobicContact CD1-CZ 4.33Å
140N97.8Very high96.4Very high3 Ų320.3 Ų20.32%0.01612%0.121CC..Hα-helixtrans-68-38.5179.2174.466.5000112.8R89 L136 N137 L138 V153 R154 I157R89-N140 WeakPolarHBondContact CD-O 3.41Å; L136-N140 WeakPolarHBondContact O-CB 3.29Å; L136-N140 PolarHBondContact O-N 3.41Å; N137-N140 PolarHBondContact O-N 2.83Å; N137-N140 VanDerWaalsContact O-N 3.12Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 2.77Å; N140-V153 HydrophobicContact CB-CB 4.34Å; N140-V153 HydrophobicContact CB-CG1 3.84Å; N140-R154 WeakPolarHBondContact OD1-CG 3.26Å; N140-R154 PolarHBondContact OD1-NH1 3.36Å; N140-I157 HydrophobicContact CB-CD1 4.08Å
141Y97.7Very high96.6Very high60 Ų6026.5 Ų26.524%0.23515%0.148CC..Hα-helixtrans-99.5-28-170.1-70.7-59000114.5H88 R89 Q90 A93 Y116 N137 L138H88-Y141 CarbonylContact C-O 3.58Å; H88-Y141 WeakPolarHBondContact CA-O 3.28Å; H88-Y141 AromaticContact CE1-CD1 3.28Å; H88-Y141 WeakPolarHBondContact CE1-CD1 3.3Å; H88-Y141 AromaticContact CE1-CG 3.74Å; H88-Y141 AromaticContact NE2-CD1 3.83Å; H88-Y141 AromaticContact NE2-CG 3.81Å; R89-Y141 PolarHBondContact N-O 3.4Å; Q90-Y141 HydrophobicContact CB-CD1 4.33Å; Q90-Y141 HydrophobicContact CB-CE1 4.41Å; Q90-Y141 HydrophobicContact CG-CD1 4.39Å; Q90-Y141 HydrophobicContact CG-CE1 4.42Å; Q90-Y141 VanDerWaalsContact OE1-CE1 3.26Å; A93-Y141 HydrophobicContact CB-CE1 4.14Å; Y116-Y141 WeakPolarHBondContact O-CD2 3.3Å; N137-Y141 HydrophobicContact CB-CD2 4.02Å; N137-Y141 HydrophobicContact CB-CE2 4.11Å; N137-Y141 WeakPolarHBondContact O-CB 3.43Å; N137-Y141 WeakPolarHBondContact O-CD2 3.49Å; N137-Y141 PolarHBondContact O-N 3.35Å; N137-Y141 VanDerWaalsContact OD1-CE2 3.24Å; N137-Y141 WeakPolarHBondContact OD1-CE2 3.39Å; L138-Y141 PolarHBondContact O-N 3.43Å
142C97.9Very high96.8Very high0 Ų027.5 Ų27.50%015%0.153CC..BIsolated β-bridgetrans-90.9130.2179.7-170.20000111.7R89 Y116 L138 C144 F145R89-C142 PolarHBondContact NE-O 3.22Å; R89-C142 PolarHBondContact NH2-O 3.44Å; Y116-C142 HydrophobicContact CD1-CB 3.8Å; Y116-C142 HydrophobicContact CD2-CB 4.08Å; Y116-C142 HydrophobicContact CE1-CB 3.99Å; Y116-C142 HydrophobicContact CE2-CB 4.25Å; Y116-C142 HydrophobicContact CG-CB 3.84Å; L138-C142 HydrophobicContact CD1-CB 4.08Å; L138-C142 VanDerWaalsContact O-CB 3.28Å; L138-C142 WeakPolarHBondContact O-CB 3.46Å; L138-C142 PolarHBondContact O-N 3.24Å; C142-C144 PolarHBondContact O-N 2.83Å; C142-C144 PolarHBondContact SG-SG 2.88Å; C142-F145 HydrophobicContact CB-CD2 4.1Å; C142-F145 HydrophobicContact CB-CE2 4.33Å; C142-F145 PolarHBondContact O-N 2.82Å
143D96.9Very high96.9Very high52 Ų5227.3 Ų27.328%0.27815%0.152SC..G310 helixtrans-73.6-11.1179.576-6.8000114H87 R89 F145 S146H87-D143 VanDerWaalsContact CB-OD1 3.29Å; H87-D143 WeakPolarHBondContact CB-OD1 3.17Å; H87-D143 IonicContact CE1-OD1 3.23Å; H87-D143 IonicContact CE1-OD2 3.46Å; H87-D143 IonicContact CG-OD1 3.99Å; H87-D143 IonicContact CG-OD2 2.98Å; H87-D143 IonicContact ND1-OD1 2.72Å; H87-D143 PolarHBondContact ND1-OD1 2.91Å; H87-D143 IonicContact ND1-OD2 3.89Å; H87-D143 PolarHBondContact ND1-OD2 3.49Å; H87-D143 PolarHBondContact O-N 3.49Å; R89-D143 HydrophobicContact CG-CB 4.05Å; D143-F145 PolarHBondContact O-N 2.83Å; D143-F145 VanDerWaalsContact O-N 3.09Å; D143-S146 WeakPolarHBondContact O-CA 3.49Å; D143-S146 WeakPolarHBondContact O-CB 3.45Å; D143-S146 PolarHBondContact O-N 3.42Å; D143-S146 PolarHBondContact O-OG 3.25Å
144C97.4Very high97.1Very high22 Ų2231.6 Ų31.615%0.14917%0.167CC..G310 helixtrans-62.9-17.5173.878.40000112.5F43 C142F43-C144 HydrophobicContact CB-CB 3.9Å; F43-C144 HydrophobicContact CD1-CB 3.92Å; F43-C144 HydrophobicContact CD2-CB 3.59Å; F43-C144 HydrophobicContact CE1-CB 4.31Å; F43-C144 HydrophobicContact CE2-CB 4.02Å; F43-C144 HydrophobicContact CG-CB 3.53Å; F43-C144 HydrophobicContact CZ-CB 4.34Å; C142-C144 PolarHBondContact O-N 2.83Å; C142-C144 PolarHBondContact SG-SG 2.88Å
145F97.4Very high97.2Very high0 Ų035 Ų350%018%0.183CC..G310 helixtrans-95.625.2172-58-81.6000113.1F35 T36 Q39 L40 R89 L138 I139 C142 D143 S147 V148F35-F145 HydrophobicContact CD1-CE1 4.44Å; F35-F145 AromaticContact CE1-CD1 3.72Å; F35-F145 HydrophobicContact CE1-CD1 3.72Å; F35-F145 AromaticContact CE1-CE1 3.91Å; F35-F145 HydrophobicContact CE1-CE1 3.91Å; F35-F145 AromaticContact CZ-CD1 3.84Å; F35-F145 HydrophobicContact CZ-CD1 3.84Å; F35-F145 HydrophobicContact CZ-CE1 4.23Å; T36-F145 HydrophobicContact CG2-CE1 4.01Å; T36-F145 HydrophobicContact CG2-CZ 4Å; Q39-F145 HydrophobicContact CB-CD1 4.21Å; Q39-F145 HydrophobicContact CB-CE1 3.55Å; Q39-F145 HydrophobicContact CB-CZ 4.06Å; Q39-F145 HydrophobicContact CG-CD1 4.29Å; Q39-F145 HydrophobicContact CG-CE1 3.95Å; L40-F145 HydrophobicContact CG-CZ 4.35Å; R89-F145 PolarHBondContact NH2-O 3.31Å; L138-F145 HydrophobicContact CD1-CE2 4Å; L138-F145 HydrophobicContact CD2-CE2 4.09Å; L138-F145 HydrophobicContact CD2-CZ 4.11Å; L138-F145 HydrophobicContact CG-CE2 3.67Å; L138-F145 HydrophobicContact CG-CZ 4.19Å; I139-F145 HydrophobicContact CB-CD2 4.49Å; I139-F145 HydrophobicContact CB-CG 4.37Å; I139-F145 HydrophobicContact CG1-CD1 4.11Å; I139-F145 HydrophobicContact CG1-CD2 4.33Å; I139-F145 HydrophobicContact CG1-CE1 4.23Å; I139-F145 HydrophobicContact CG1-CE2 4.46Å; I139-F145 HydrophobicContact CG1-CG 4.16Å; I139-F145 HydrophobicContact CG1-CZ 4.41Å; I139-F145 HydrophobicContact CG2-CB 4.04Å; I139-F145 HydrophobicContact CG2-CG 4.28Å; C142-F145 HydrophobicContact CB-CD2 4.1Å; C142-F145 HydrophobicContact CB-CE2 4.33Å; C142-F145 PolarHBondContact O-N 2.82Å; D143-F145 PolarHBondContact O-N 2.83Å; D143-F145 VanDerWaalsContact O-N 3.09Å; F145-S147 PolarHBondContact O-N 2.91Å; F145-V148 HydrophobicContact CB-CG2 4.44Å; F145-V148 WeakPolarHBondContact O-CB 3.29Å; F145-V148 PolarHBondContact O-N 3.36Å
146S93.9Very high97.2Very high98 Ų9835 Ų3569%0.68518%0.183SC*.THydrogen-bonded Turntrans-55.9-18.3-171.150.80000115.2D143 V148D143-S146 WeakPolarHBondContact O-CA 3.49Å; D143-S146 WeakPolarHBondContact O-CB 3.45Å; D143-S146 PolarHBondContact O-N 3.42Å; D143-S146 PolarHBondContact O-OG 3.25Å; S146-V148 PolarHBondContact O-N 3.45Å
147S93.3Very high97.2Very high62 Ų6235.9 Ų35.943%0.43419%0.188SC..THydrogen-bonded Turntrans-68.7-15.2170.755.50000114.4F145 Q189F145-S147 PolarHBondContact O-N 2.91Å; S147-Q189 PolarHBondContact O-NE2 2.83Å
148V96.6Very high97.1Very high1 Ų140 Ų401%0.00621%0.207CC..SBendtrans-102.4129.4-179-172.30000110.2F35 R89 I139 F145 S146 P150 V153 F186 L190F35-V148 HydrophobicContact CE1-CG2 4.48Å; F35-V148 HydrophobicContact CZ-CG2 4.28Å; R89-V148 PolarHBondContact NH1-O 3.4Å; I139-V148 HydrophobicContact CG2-CB 3.99Å; I139-V148 HydrophobicContact CG2-CG1 3.76Å; I139-V148 HydrophobicContact CG2-CG2 4.25Å; F145-V148 HydrophobicContact CB-CG2 4.44Å; F145-V148 WeakPolarHBondContact O-CB 3.29Å; F145-V148 PolarHBondContact O-N 3.36Å; S146-V148 PolarHBondContact O-N 3.45Å; V148-P150 WeakPolarHBondContact O-CD 3.48Å; V148-V153 HydrophobicContact CG1-CG2 3.64Å; V148-F186 HydrophobicContact CG1-CD2 4.4Å; V148-F186 HydrophobicContact CG1-CE2 3.78Å; V148-L190 HydrophobicContact CG2-CD2 3.7Å
149D96.4Very high97.1Very high61 Ų6140 Ų4033%0.32621%0.207SC..  trans-75.9114.1-178.7179.1-4.3000108.1K151 L152 V153D149-K151 PolarHBondContact O-N 2.94Å; D149-K151 VanDerWaalsContact O-N 3.08Å; D149-K151 VanDerWaalsContact OD1-CB 3.32Å; D149-K151 WeakPolarHBondContact OD1-CB 3.29Å; D149-K151 PolarHBondContact OD1-N 2.83Å; D149-L152 HydrophobicContact CB-CD1 4.44Å; D149-L152 HydrophobicContact CB-CG 4.26Å; D149-L152 PolarHBondContact O-N 3.28Å; D149-V153 PolarHBondContact O-N 3.4Å
150P95.8Very high97Very high32 Ų3240.5 Ų40.521%0.20821%0.208CC..Hα-helixtrans-66.1-16-176.131.9-38.3000112.3V148 R154V148-P150 WeakPolarHBondContact O-CD 3.48Å; P150-R154 WeakPolarHBondContact O-CB 3.34Å; P150-R154 WeakPolarHBondContact O-CG 3.03Å; P150-R154 PolarHBondContact O-N 2.85Å; P150-R154 PolarHBondContact O-NH1 2.88Å
151K96.9Very high96.9Very high132 Ų13243 Ų4357%0.57422%0.222SC*.Hα-helixtrans-65.6-42.1172.1-66.9177.1179.8177.50112D149 R154 Q155D149-K151 PolarHBondContact O-N 2.94Å; D149-K151 VanDerWaalsContact O-N 3.08Å; D149-K151 VanDerWaalsContact OD1-CB 3.32Å; D149-K151 WeakPolarHBondContact OD1-CB 3.29Å; D149-K151 PolarHBondContact OD1-N 2.83Å; K151-R154 PolarHBondContact O-N 3.37Å; K151-Q155 WeakPolarHBondContact O-CG 3.44Å; K151-Q155 PolarHBondContact O-N 3.14Å; K151-Q155 VanDerWaalsContact O-N 3.17Å
152L98Very high96.7Very high29 Ų2943.8 Ų43.815%0.15223%0.227CC..Hα-helixtrans-68.1-41178.4-61.1-175000110.7D149 R154 Q155 V156 H185 F186 Q189D149-L152 HydrophobicContact CB-CD1 4.44Å; D149-L152 HydrophobicContact CB-CG 4.26Å; D149-L152 PolarHBondContact O-N 3.28Å; L152-R154 PolarHBondContact O-N 3.34Å; L152-Q155 PolarHBondContact O-N 3.1Å; L152-V156 PolarHBondContact O-N 2.85Å; L152-H185 HydrophobicContact CD1-CB 4.34Å; L152-H185 HydrophobicContact CD2-CB 4.01Å; L152-F186 HydrophobicContact CB-CB 4.4Å; L152-F186 HydrophobicContact CB-CD2 4.36Å; L152-Q189 HydrophobicContact CD1-CB 4.28Å
153V97.9Very high96.6Very high0 Ų043.8 Ų43.80%023%0.228CC..Hα-helixtrans-59.7-46175.6-1700000110.9L136 I139 N140 V148 D149 Q155 V156 I157 F186L136-V153 HydrophobicContact CB-CG1 4.25Å; L136-V153 HydrophobicContact CD2-CG1 4.19Å; L136-V153 WeakPolarHBondContact O-CG1 3.28Å; I139-V153 HydrophobicContact CB-CG1 4.48Å; I139-V153 HydrophobicContact CG2-CG1 4.48Å; I139-V153 HydrophobicContact CG2-CG2 3.78Å; N140-V153 HydrophobicContact CB-CB 4.34Å; N140-V153 HydrophobicContact CB-CG1 3.84Å; V148-V153 HydrophobicContact CG1-CG2 3.64Å; D149-V153 PolarHBondContact O-N 3.4Å; V153-Q155 VanDerWaalsContact C-N 3.33Å; V153-Q155 PolarHBondContact O-N 3.31Å; V153-V156 PolarHBondContact O-N 3.44Å; V153-I157 HydrophobicContact CG1-CD1 3.96Å; V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 WeakPolarHBondContact O-CG1 3.29Å; V153-I157 PolarHBondContact O-N 3.12Å; V153-F186 HydrophobicContact CB-CE2 4.5Å; V153-F186 HydrophobicContact CG2-CD2 4.17Å; V153-F186 HydrophobicContact CG2-CE2 3.66Å; V153-F186 HydrophobicContact CG2-CZ 4.49Å
154R97.9Very high96.3Very high94 Ų9441.5 Ų41.536%0.35522%0.215SC..Hα-helixtrans-62.8-35.7178.5-77.3-170.4-62.2-85.52.4113.6N140 P150 K151 L152 V156 I157 Q158N140-R154 WeakPolarHBondContact OD1-CG 3.26Å; N140-R154 PolarHBondContact OD1-NH1 3.36Å; P150-R154 WeakPolarHBondContact O-CB 3.34Å; P150-R154 WeakPolarHBondContact O-CG 3.03Å; P150-R154 PolarHBondContact O-N 2.85Å; P150-R154 PolarHBondContact O-NH1 2.88Å; K151-R154 PolarHBondContact O-N 3.37Å; L152-R154 PolarHBondContact O-N 3.34Å; R154-V156 VanDerWaalsContact C-N 3.34Å; R154-I157 PolarHBondContact O-N 3.09Å; R154-Q158 WeakPolarHBondContact O-CB 3.5Å; R154-Q158 PolarHBondContact O-N 3.46Å
155Q98.1Very high95.8Very high73 Ų7343.8 Ų43.834%0.34122%0.223SC..Hα-helixtrans-62.5-44174.1-71.9174.32.600111K151 L152 V153 Q158 C159 A182K151-Q155 WeakPolarHBondContact O-CG 3.44Å; K151-Q155 PolarHBondContact O-N 3.14Å; K151-Q155 VanDerWaalsContact O-N 3.17Å; L152-Q155 PolarHBondContact O-N 3.1Å; V153-Q155 VanDerWaalsContact C-N 3.33Å; V153-Q155 PolarHBondContact O-N 3.31Å; Q155-Q158 PolarHBondContact O-N 2.94Å; Q155-C159 PolarHBondContact O-N 3.46Å; Q155-C159 PolarHBondContact O-SG 3.4Å; Q155-C159 VanDerWaalsContact O-SG 3.38Å; Q155-A182 HydrophobicContact CB-CB 4.06Å
156V98.4Very high95.3Very high0 Ų044.7 Ų44.70%023%0.23CC..Hα-helixtrans-65.5-42.9176.3-178.50000111.2L28 L136 L152 V153 R154 Q158 C159 R160 A182 L183 F186L28-V156 HydrophobicContact CD2-CG1 3.92Å; L136-V156 HydrophobicContact CD1-CG1 3.8Å; L136-V156 HydrophobicContact CD2-CB 4.41Å; L136-V156 HydrophobicContact CD2-CG1 4.06Å; L152-V156 PolarHBondContact O-N 2.85Å; V153-V156 PolarHBondContact O-N 3.44Å; R154-V156 VanDerWaalsContact C-N 3.34Å; V156-Q158 VanDerWaalsContact C-N 3.3Å; V156-Q158 PolarHBondContact O-N 3.37Å; V156-C159 PolarHBondContact O-N 3.48Å; V156-R160 VanDerWaalsContact O-CB 3.23Å; V156-R160 WeakPolarHBondContact O-CB 3.44Å; V156-R160 PolarHBondContact O-N 2.96Å; V156-A182 HydrophobicContact CG2-CB 4.44Å; V156-L183 HydrophobicContact CG1-CD2 3.94Å; V156-L183 HydrophobicContact CG2-CD2 4.32Å; V156-F186 HydrophobicContact CG2-CB 3.71Å; V156-F186 HydrophobicContact CG2-CD1 4Å; V156-F186 HydrophobicContact CG2-CG 3.96Å
157I97.9Very high94.4Very high19 Ų1943 Ų4310%0.09722%0.217CC..Hα-helixtrans-57.8-43.3174.6-69168.7000111L136 N140 V153 R154 R160 N161L136-I157 HydrophobicContact CB-CD1 4.04Å; L136-I157 HydrophobicContact CB-CG1 3.6Å; L136-I157 HydrophobicContact CD1-CG1 4.2Å; L136-I157 HydrophobicContact CG-CG1 4.45Å; N140-I157 HydrophobicContact CB-CD1 4.08Å; V153-I157 HydrophobicContact CG1-CD1 3.96Å; V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 WeakPolarHBondContact O-CG1 3.29Å; V153-I157 PolarHBondContact O-N 3.12Å; R154-I157 PolarHBondContact O-N 3.09Å; I157-R160 WeakPolarHBondContact O-CB 3.14Å; I157-R160 PolarHBondContact O-N 3.36Å; I157-N161 VanDerWaalsContact O-CG 3.23Å; I157-N161 PolarHBondContact O-N 2.74Å; I157-N161 PolarHBondContact O-OD1 2.89Å
158Q97.3Very high94Very high103 Ų10345.6 Ų45.648%0.48122%0.222SC..Hα-helixtrans-60.8-53.9178.6179.4179.3-7.100111R154 Q155 V156 R160 N161 E162R154-Q158 WeakPolarHBondContact O-CB 3.5Å; R154-Q158 PolarHBondContact O-N 3.46Å; Q155-Q158 PolarHBondContact O-N 2.94Å; V156-Q158 VanDerWaalsContact C-N 3.3Å; V156-Q158 PolarHBondContact O-N 3.37Å; Q158-R160 VanDerWaalsContact C-N 3.25Å; Q158-R160 PolarHBondContact O-N 2.97Å; Q158-N161 PolarHBondContact O-N 3.45Å; Q158-E162 VanDerWaalsContact CG-OE1 3.29Å; Q158-E162 WeakPolarHBondContact CG-OE1 3.39Å; Q158-E162 PolarHBondContact NE2-OE1 3.48Å; Q158-E162 WeakPolarHBondContact O-CG 3.47Å; Q158-E162 PolarHBondContact O-N 3.13Å
159C97.6Very high93.8Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-60.9-37.6177.8-60.10000111.9Q155 V156 N161 E162 L163 W175 H178 Y179Q155-C159 PolarHBondContact O-N 3.46Å; Q155-C159 PolarHBondContact O-SG 3.4Å; Q155-C159 VanDerWaalsContact O-SG 3.38Å; V156-C159 PolarHBondContact O-N 3.48Å; C159-N161 PolarHBondContact O-N 3.12Å; C159-E162 PolarHBondContact O-N 2.95Å; C159-L163 VanDerWaalsContact O-CB 3.3Å; C159-L163 WeakPolarHBondContact O-CB 3.37Å; C159-L163 PolarHBondContact O-N 3.39Å; C159-W175 HydrophobicContact CB-CH2 4.39Å; C159-W175 HydrophobicContact CB-CZ2 3.82Å; C159-W175 VanDerWaalsContact O-CZ2 3.32Å; C159-W175 WeakPolarHBondContact O-CZ2 2.89Å; C159-H178 VanDerWaalsContact SG-CD2 3.58Å; C159-Y179 HydrophobicContact CB-CD2 3.45Å; C159-Y179 VanDerWaalsContact CB-CD2 3.45Å; C159-Y179 HydrophobicContact CB-CE2 4.08Å; C159-Y179 HydrophobicContact CB-CG 4.46Å
160R96.5Very high93.7Very high9 Ų948 Ų483%0.03423%0.227CC..Hα-helixtrans-55.8-52.3175.1-163.9-70.1-68.8-157.518.4110.6L25 S133 V156 I157 Q158 E162 L163 M164 E256L25-R160 HydrophobicContact CD1-CB 4.28Å; L25-R160 HydrophobicContact CD1-CG 3.53Å; L25-R160 HydrophobicContact CD2-CG 3.54Å; L25-R160 HydrophobicContact CG-CG 4.15Å; S133-R160 VanDerWaalsContact OG-CZ 3.29Å; S133-R160 PolarHBondContact OG-NH2 3.24Å; V156-R160 VanDerWaalsContact O-CB 3.23Å; V156-R160 WeakPolarHBondContact O-CB 3.44Å; V156-R160 PolarHBondContact O-N 2.96Å; I157-R160 WeakPolarHBondContact O-CB 3.14Å; I157-R160 PolarHBondContact O-N 3.36Å; Q158-R160 VanDerWaalsContact C-N 3.25Å; Q158-R160 PolarHBondContact O-N 2.97Å; R160-E162 PolarHBondContact O-N 3.26Å; R160-L163 WeakPolarHBondContact O-CB 3.24Å; R160-L163 PolarHBondContact O-N 3.48Å; R160-M164 WeakPolarHBondContact O-CB 3.19Å; R160-M164 VanDerWaalsContact O-CG 3.29Å; R160-M164 WeakPolarHBondContact O-CG 3.42Å; R160-M164 PolarHBondContact O-N 3.26Å; R160-E256 IonicContact CZ-OE1 3.17Å; R160-E256 IonicContact CZ-OE2 2.95Å; R160-E256 IonicContact NH1-OE1 2.73Å; R160-E256 PolarHBondContact NH1-OE1 2.93Å; R160-E256 IonicContact NH1-OE2 3.72Å; R160-E256 PolarHBondContact NH1-OE2 3.09Å; R160-E256 IonicContact NH2-OE1 3.37Å; R160-E256 PolarHBondContact NH2-OE1 3.31Å
161N94.4Very high93.8Very high56 Ų5647 Ų4730%0.29922%0.22SC..Hα-helixtrans-63.9-42-178.3-66.4-12.7000111.4I157 Q158 C159 L163 M164 H165I157-N161 VanDerWaalsContact O-CG 3.23Å; I157-N161 PolarHBondContact O-N 2.74Å; I157-N161 PolarHBondContact O-OD1 2.89Å; Q158-N161 PolarHBondContact O-N 3.45Å; C159-N161 PolarHBondContact O-N 3.12Å; N161-L163 VanDerWaalsContact C-N 3.31Å; N161-L163 PolarHBondContact O-N 2.87Å; N161-M164 PolarHBondContact O-N 3.17Å; N161-H165 VanDerWaalsContact O-CB 3.3Å; N161-H165 WeakPolarHBondContact O-CB 3.41Å; N161-H165 VanDerWaalsContact O-CG 3.31Å; N161-H165 PolarHBondContact O-N 3.11Å
162E94.7Very high93.7Very high76 Ų7647.1 Ų47.136%0.35522%0.221SC..Hα-helixtrans-60.6-39.7175.1-69.8167.8-175.100112.1Q158 C159 R160 S166 W175Q158-E162 VanDerWaalsContact CG-OE1 3.29Å; Q158-E162 WeakPolarHBondContact CG-OE1 3.39Å; Q158-E162 PolarHBondContact NE2-OE1 3.48Å; Q158-E162 WeakPolarHBondContact O-CG 3.47Å; Q158-E162 PolarHBondContact O-N 3.13Å; C159-E162 PolarHBondContact O-N 2.95Å; R160-E162 PolarHBondContact O-N 3.26Å; E162-S166 PolarHBondContact O-N 3.26Å; E162-S166 VanDerWaalsContact O-N 3.14Å; E162-W175 HydrophobicContact CB-CZ2 4.33Å; E162-W175 PolarHBondContact OE2-NE1 2.93Å
163L95.2Very high93.7Very high1 Ų150.1 Ų50.11%0.00524%0.237CC..Hα-helixtrans-69.2-49.1178179.471.4000112.6W18 A21 C159 R160 N161 H165 S166 V171 W175W18-L163 HydrophobicContact CG-CD1 4.06Å; W18-L163 PolarHBondContact NE1-O 3.18Å; A21-L163 HydrophobicContact CB-CD1 3.74Å; A21-L163 HydrophobicContact CB-CD2 3.9Å; A21-L163 HydrophobicContact CB-CG 4.48Å; C159-L163 VanDerWaalsContact O-CB 3.3Å; C159-L163 WeakPolarHBondContact O-CB 3.37Å; C159-L163 PolarHBondContact O-N 3.39Å; R160-L163 WeakPolarHBondContact O-CB 3.24Å; R160-L163 PolarHBondContact O-N 3.48Å; N161-L163 VanDerWaalsContact C-N 3.31Å; N161-L163 PolarHBondContact O-N 2.87Å; L163-H165 PolarHBondContact O-N 3.27Å; L163-S166 WeakPolarHBondContact O-CB 3.42Å; L163-S166 PolarHBondContact O-N 2.85Å; L163-V171 HydrophobicContact CD1-CG1 3.9Å; L163-W175 HydrophobicContact CB-CH2 3.92Å; L163-W175 HydrophobicContact CB-CZ2 4.16Å; L163-W175 HydrophobicContact CD1-CH2 4.08Å; L163-W175 HydrophobicContact CD1-CZ3 4.4Å; L163-W175 HydrophobicContact CG-CH2 4.45Å
164M91.2Very high93.7Very high4 Ų455.3 Ų55.32%0.0227%0.265CS..Hα-helixtrans-72-19.9-176.4-63.6-59.2-74.200112.4L25 R160 N161 L249 E252 M253 E256 Q275L25-M164 HydrophobicContact CD2-CG 4.41Å; L25-M164 HydrophobicContact CD2-SD 4.14Å; R160-M164 WeakPolarHBondContact O-CB 3.19Å; R160-M164 VanDerWaalsContact O-CG 3.29Å; R160-M164 WeakPolarHBondContact O-CG 3.42Å; R160-M164 PolarHBondContact O-N 3.26Å; N161-M164 PolarHBondContact O-N 3.17Å; M164-L249 HydrophobicContact SD-CD1 4.2Å; M164-E252 HydrophobicContact CE-CB 4.41Å; M164-E252 HydrophobicContact CE-CG 4.24Å; M164-M253 HydrophobicContact CE-CB 4.05Å; M164-M253 HydrophobicContact CE-CG 3.39Å; M164-M253 WeakPolarHBondContact O-CE 3.42Å; M164-M253 HydrophobicContact SD-CG 3.98Å; M164-E256 WeakPolarHBondContact CE-OE2 3.28Å; M164-Q275 PolarHBondContact O-NE2 3.05Å
165H86.9Confident93.6Very high69 Ų6952.9 Ų52.932%0.31926%0.256SS..THydrogen-bonded Turntrans-106.914.6174.3-55.6165.3000112.7N161 L163 C167 H271N161-H165 VanDerWaalsContact O-CB 3.3Å; N161-H165 WeakPolarHBondContact O-CB 3.41Å; N161-H165 VanDerWaalsContact O-CG 3.31Å; N161-H165 PolarHBondContact O-N 3.11Å; L163-H165 PolarHBondContact O-N 3.27Å; H165-C167 PolarHBondContact O-N 2.78Å; H165-C167 VanDerWaalsContact O-N 3.09Å; H165-H271 AromaticContact CE1-CE1 3.96Å; H165-H271 AromaticContact ND1-CE1 3.76Å
166S87.4Confident93.6Very high19 Ų1950.3 Ų50.313%0.13324%0.244CC..  trans-65.6111170.8177.40000108.9E162 L163 E168 F169 R170E162-S166 PolarHBondContact O-N 3.26Å; E162-S166 VanDerWaalsContact O-N 3.14Å; L163-S166 WeakPolarHBondContact O-CB 3.42Å; L163-S166 PolarHBondContact O-N 2.85Å; S166-E168 PolarHBondContact O-N 2.8Å; S166-F169 PolarHBondContact O-N 2.85Å; S166-R170 PolarHBondContact OG-N 3.22Å; S166-R170 PolarHBondContact OG-O 2.8Å
167C73.9Confident93.6Very high62 Ų6257.3 Ų57.342%0.41927%0.27SS..THydrogen-bonded Turntrans-68.1-21.5-175.953.10000113.7H165H165-C167 PolarHBondContact O-N 2.78Å; H165-C167 VanDerWaalsContact O-N 3.09Å
168E84.4Confident93.6Very high117 Ų11760.4 Ų60.455%0.54728%0.284SS..THydrogen-bonded Turntrans-105.70.5-178.1-64.6-177.9-177.200112.9S166 R170S166-E168 PolarHBondContact O-N 2.8Å; E168-R170 HydrophobicContact CB-CB 4.19Å; E168-R170 HydrophobicContact CB-CG 4.32Å; E168-R170 WeakPolarHBondContact O-CG 3.3Å; E168-R170 PolarHBondContact O-N 2.78Å
169F93.2Very high93.6Very high5 Ų555.5 Ų55.52%0.02226%0.261CS..SBendtrans55.936.3-173.9-48.6-86.4000112Y15 W18 S166 L250 M253 L279 F282Y15-F169 HydrophobicContact CD2-CB 4.25Å; Y15-F169 WeakPolarHBondContact CD2-O 3.27Å; Y15-F169 HydrophobicContact CE2-CB 3.98Å; W18-F169 VanDerWaalsContact CB-O 3.24Å; W18-F169 WeakPolarHBondContact CB-O 3.03Å; W18-F169 HydrophobicContact CD2-CB 4.06Å; W18-F169 HydrophobicContact CE3-CB 4.26Å; W18-F169 VanDerWaalsContact CG-C 3.42Å; W18-F169 VanDerWaalsContact CG-O 3.24Å; W18-F169 HydrophobicContact CH2-CD1 4.1Å; W18-F169 HydrophobicContact CZ2-CB 4.4Å; W18-F169 AromaticContact CZ2-CD1 3.75Å; W18-F169 HydrophobicContact CZ2-CD1 3.75Å; W18-F169 HydrophobicContact CZ3-CB 4.5Å; S166-F169 PolarHBondContact O-N 2.85Å; F169-L250 HydrophobicContact CD1-CD2 4.33Å; F169-L250 HydrophobicContact CE1-CD2 4.26Å; F169-M253 HydrophobicContact CD1-CE 4.03Å; F169-M253 HydrophobicContact CD1-SD 4.01Å; F169-M253 HydrophobicContact CE1-CE 3.61Å; F169-M253 HydrophobicContact CE1-SD 3.76Å; F169-L279 HydrophobicContact CE1-CD1 3.81Å; F169-L279 HydrophobicContact CZ-CB 4.41Å; F169-L279 HydrophobicContact CZ-CD1 3.93Å; F169-F282 HydrophobicContact CB-CE2 4.45Å; F169-F282 HydrophobicContact CD2-CB 4.13Å; F169-F282 HydrophobicContact CD2-CD1 4.29Å; F169-F282 AromaticContact CD2-CD2 3.43Å; F169-F282 HydrophobicContact CD2-CD2 3.43Å; F169-F282 VanDerWaalsContact CD2-CD2 3.43Å; F169-F282 AromaticContact CD2-CE2 3.85Å; F169-F282 HydrophobicContact CD2-CE2 3.85Å; F169-F282 AromaticContact CD2-CG 3.68Å; F169-F282 HydrophobicContact CD2-CG 3.68Å; F169-F282 HydrophobicContact CD2-CZ 4.44Å; F169-F282 HydrophobicContact CE2-CB 3.45Å; F169-F282 VanDerWaalsContact CE2-CB 3.45Å; F169-F282 HydrophobicContact CE2-CD1 4.22Å; F169-F282 AromaticContact CE2-CD2 3.7Å; F169-F282 HydrophobicContact CE2-CD2 3.7Å; F169-F282 AromaticContact CE2-CG 3.52Å; F169-F282 HydrophobicContact CE2-CG 3.52Å; F169-F282 HydrophobicContact CG-CD2 4.23Å; F169-F282 HydrophobicContact CG-CE2 4.28Å; F169-F282 HydrophobicContact CG-CG 4.4Å; F169-F282 HydrophobicContact CG-CZ 4.49Å; F169-F282 HydrophobicContact CZ-CB 3.91Å; F169-F282 HydrophobicContact CZ-CD1 4.42Å; F169-F282 HydrophobicContact CZ-CG 4.09Å
170R95.1Very high93.6Very high107 Ų10760 Ų6040%0.40428%0.278SS..  trans-133.3144.2-175-75.2174.6-168.8-163.4-9.1109.9D12 E14 S166 E168D12-R170 IonicContact OD2-CZ 3.04Å; D12-R170 IonicContact OD2-NE 2.65Å; D12-R170 PolarHBondContact OD2-NE 2.76Å; D12-R170 IonicContact OD2-NH1 3.02Å; D12-R170 IonicContact OD2-NH2 3.89Å; D12-R170 PolarHBondContact OD2-NH2 2.72Å; E14-R170 HydrophobicContact CB-CB 3.69Å; E14-R170 HydrophobicContact CB-CG 3.9Å; E14-R170 WeakPolarHBondContact O-CA 3.37Å; S166-R170 PolarHBondContact OG-N 3.22Å; S166-R170 PolarHBondContact OG-O 2.8Å; E168-R170 HydrophobicContact CB-CB 4.19Å; E168-R170 HydrophobicContact CB-CG 4.32Å; E168-R170 WeakPolarHBondContact O-CG 3.3Å; E168-R170 PolarHBondContact O-N 2.78Å
171V96.4Very high93.6Very high11 Ų1162.2 Ų62.27%0.06729%0.293CS..  trans-140.6141.4169.6-57.50000111.5E14 N17 W18 L163 W175 M176E14-V171 WeakPolarHBondContact CA-O 3.42Å; E14-V171 WeakPolarHBondContact CB-O 3.38Å; E14-V171 PolarHBondContact O-N 2.72Å; N17-V171 HydrophobicContact CB-CG2 3.52Å; N17-V171 WeakPolarHBondContact CB-O 3.24Å; N17-V171 PolarHBondContact ND2-O 3.37Å; W18-V171 HydrophobicContact CB-CG1 4.39Å; W18-V171 HydrophobicContact CB-CG2 4.22Å; L163-V171 HydrophobicContact CD1-CG1 3.9Å; V171-W175 HydrophobicContact CB-CD2 4.13Å; V171-W175 HydrophobicContact CB-CE3 3.61Å; V171-W175 HydrophobicContact CB-CZ3 4.08Å; V171-W175 HydrophobicContact CG1-CD2 4.32Å; V171-W175 HydrophobicContact CG1-CE3 3.96Å; V171-W175 HydrophobicContact CG1-CH2 4.48Å; V171-W175 HydrophobicContact CG1-CZ3 4.06Å; V171-W175 HydrophobicContact CG2-CE3 3.62Å; V171-W175 HydrophobicContact CG2-CZ3 3.81Å; V171-M176 HydrophobicContact CG2-SD 4.37Å
172K96.4Very high93.8Very high136 Ų13659.6 Ų59.659%0.59128%0.279SS*.  trans-74.7155.1-177-60.8-174.5177.5-1800112.2D174 W175 M176K172-D174 VanDerWaalsContact C-N 3.29Å; K172-D174 PolarHBondContact O-N 3.05Å; K172-W175 WeakPolarHBondContact O-CB 3.3Å; K172-W175 PolarHBondContact O-N 3.28Å; K172-W175 VanDerWaalsContact O-N 3.12Å; K172-M176 PolarHBondContact O-N 3.48Å
173D96.9Very high94Very high92 Ų9256 Ų5649%0.49226%0.262SS..Hα-helixtrans-57.1-40.3176.8-68.6-28.9000113.4N17 W175 M176 R177N17-D173 PolarHBondContact ND2-OD1 3.02Å; D173-W175 VanDerWaalsContact C-N 3.31Å; D173-W175 PolarHBondContact O-N 3.43Å; D173-M176 WeakPolarHBondContact O-CB 3.36Å; D173-M176 PolarHBondContact O-N 3.41Å; D173-M176 VanDerWaalsContact O-N 3.13Å; D173-R177 WeakPolarHBondContact O-CG 3.49Å; D173-R177 PolarHBondContact O-N 2.83Å
174D97.3Very high94.1Very high108 Ų10860.6 Ų60.658%0.57828%0.279SS*.Hα-helixtrans-63-41.1179.3-74.211000111.4K172 M176 R177 H178K172-D174 VanDerWaalsContact C-N 3.29Å; K172-D174 PolarHBondContact O-N 3.05Å; D174-M176 VanDerWaalsContact C-N 3.35Å; D174-R177 PolarHBondContact O-N 3.1Å; D174-R177 IonicContact OD1-CZ 3.1Å; D174-R177 IonicContact OD1-NH1 2.92Å; D174-R177 PolarHBondContact OD1-NH1 2.86Å; D174-R177 IonicContact OD1-NH2 2.61Å; D174-R177 PolarHBondContact OD1-NH2 3.09Å; D174-R177 IonicContact OD2-NH2 3.77Å; D174-H178 PolarHBondContact O-N 3.45Å
175W97.4Very high94.4Very high44 Ų4464 Ų6417%0.16730%0.295CS..Hα-helixtrans-64.1-43172.5-176.793.7000110.6A21 C159 E162 L163 V171 K172 D173 R177 H178 Y179A21-W175 HydrophobicContact CB-CH2 4.2Å; A21-W175 HydrophobicContact CB-CZ3 3.84Å; C159-W175 HydrophobicContact CB-CH2 4.39Å; C159-W175 HydrophobicContact CB-CZ2 3.82Å; C159-W175 VanDerWaalsContact O-CZ2 3.32Å; C159-W175 WeakPolarHBondContact O-CZ2 2.89Å; E162-W175 HydrophobicContact CB-CZ2 4.33Å; E162-W175 PolarHBondContact OE2-NE1 2.93Å; L163-W175 HydrophobicContact CB-CH2 3.92Å; L163-W175 HydrophobicContact CB-CZ2 4.16Å; L163-W175 HydrophobicContact CD1-CH2 4.08Å; L163-W175 HydrophobicContact CD1-CZ3 4.4Å; L163-W175 HydrophobicContact CG-CH2 4.45Å; V171-W175 HydrophobicContact CB-CD2 4.13Å; V171-W175 HydrophobicContact CB-CE3 3.61Å; V171-W175 HydrophobicContact CB-CZ3 4.08Å; V171-W175 HydrophobicContact CG1-CD2 4.32Å; V171-W175 HydrophobicContact CG1-CE3 3.96Å; V171-W175 HydrophobicContact CG1-CH2 4.48Å; V171-W175 HydrophobicContact CG1-CZ3 4.06Å; V171-W175 HydrophobicContact CG2-CE3 3.62Å; V171-W175 HydrophobicContact CG2-CZ3 3.81Å; K172-W175 WeakPolarHBondContact O-CB 3.3Å; K172-W175 PolarHBondContact O-N 3.28Å; K172-W175 VanDerWaalsContact O-N 3.12Å; D173-W175 VanDerWaalsContact C-N 3.31Å; D173-W175 PolarHBondContact O-N 3.43Å; W175-R177 VanDerWaalsContact C-N 3.31Å; W175-R177 PolarHBondContact O-N 3.34Å; W175-H178 WeakPolarHBondContact O-CA 3.29Å; W175-H178 WeakPolarHBondContact O-CB 3.47Å; W175-H178 PolarHBondContact O-N 3.24Å; W175-H178 VanDerWaalsContact O-N 3.07Å; W175-Y179 HydrophobicContact CH2-CD1 4.43Å; W175-Y179 AromaticContact CH2-CD2 3.95Å; W175-Y179 HydrophobicContact CH2-CD2 3.95Å; W175-Y179 AromaticContact CH2-CG 3.83Å; W175-Y179 HydrophobicContact CH2-CG 3.83Å; W175-Y179 HydrophobicContact CZ2-CD2 4.5Å; W175-Y179 HydrophobicContact CZ3-CD1 4.26Å; W175-Y179 HydrophobicContact CZ3-CD2 4.49Å; W175-Y179 AromaticContact CZ3-CG 3.92Å; W175-Y179 HydrophobicContact CZ3-CG 3.92Å; W175-Y179 PolarHBondContact O-N 2.97Å
176M97.1Very high94.9Very high18 Ų1860.7 Ų60.79%0.08928%0.28CS..Hα-helixtrans-61.2-38.2179-161.562.8-147.400112.6N17 A21 V171 K172 D173 D174 Y179 R180 L207N17-M176 HydrophobicContact CB-CG 4.37Å; N17-M176 HydrophobicContact CB-SD 4.21Å; A21-M176 HydrophobicContact CB-CE 3.95Å; A21-M176 HydrophobicContact CB-SD 3.91Å; V171-M176 HydrophobicContact CG2-SD 4.37Å; K172-M176 PolarHBondContact O-N 3.48Å; D173-M176 WeakPolarHBondContact O-CB 3.36Å; D173-M176 PolarHBondContact O-N 3.41Å; D173-M176 VanDerWaalsContact O-N 3.13Å; D174-M176 VanDerWaalsContact C-N 3.35Å; M176-Y179 HydrophobicContact CE-CD1 3.58Å; M176-Y179 HydrophobicContact CE-CE1 4.13Å; M176-Y179 PolarHBondContact O-N 3.37Å; M176-Y179 HydrophobicContact SD-CD1 4.27Å; M176-R180 WeakPolarHBondContact O-CB 3.28Å; M176-R180 PolarHBondContact O-N 2.93Å; M176-L207 HydrophobicContact CE-CD2 3.04Å
177R97.6Very high95.4Very high147 Ų14760.4 Ų60.456%0.55528%0.277SS*.Hα-helixtrans-65.3-39.9173.5-68.1-165.9-55.1-93.56112.1D173 D174 W175 T181D173-R177 WeakPolarHBondContact O-CG 3.49Å; D173-R177 PolarHBondContact O-N 2.83Å; D174-R177 PolarHBondContact O-N 3.1Å; D174-R177 IonicContact OD1-CZ 3.1Å; D174-R177 IonicContact OD1-NH1 2.92Å; D174-R177 PolarHBondContact OD1-NH1 2.86Å; D174-R177 IonicContact OD1-NH2 2.61Å; D174-R177 PolarHBondContact OD1-NH2 3.09Å; D174-R177 IonicContact OD2-NH2 3.77Å; W175-R177 VanDerWaalsContact C-N 3.31Å; W175-R177 PolarHBondContact O-N 3.34Å; R177-T181 PolarHBondContact O-N 3.2Å; R177-T181 VanDerWaalsContact O-N 3.15Å; R177-T181 PolarHBondContact O-OG1 2.92Å
178H97.8Very high96.4Very high84 Ų8462.9 Ų62.939%0.38928%0.282SS..Hα-helixtrans-63.5-49.4174.4-179.967000111.1C159 D174 W175 R180 T181 A182C159-H178 VanDerWaalsContact SG-CD2 3.58Å; D174-H178 PolarHBondContact O-N 3.45Å; W175-H178 WeakPolarHBondContact O-CA 3.29Å; W175-H178 WeakPolarHBondContact O-CB 3.47Å; W175-H178 PolarHBondContact O-N 3.24Å; W175-H178 VanDerWaalsContact O-N 3.07Å; H178-R180 PolarHBondContact O-N 3.32Å; H178-T181 WeakPolarHBondContact O-CB 3.35Å; H178-T181 PolarHBondContact O-N 3.02Å; H178-T181 VanDerWaalsContact O-N 3.09Å; H178-A182 PolarHBondContact O-N 2.75Å
179Y97.9Very high97Very high0 Ų059.7 Ų59.70%027%0.268CS..Hα-helixtrans-57.3-48.4178176.8-112.7000112.6A21 C24 L25 C159 W175 M176 T181 A182 L183A21-Y179 HydrophobicContact CB-CD1 3.99Å; A21-Y179 HydrophobicContact CB-CE1 3.74Å; A21-Y179 PolarHBondContact O-OH 3.09Å; C24-Y179 HydrophobicContact CB-CE1 4.06Å; L25-Y179 PolarHBondContact N-OH 2.94Å; C159-Y179 HydrophobicContact CB-CD2 3.45Å; C159-Y179 VanDerWaalsContact CB-CD2 3.45Å; C159-Y179 HydrophobicContact CB-CE2 4.08Å; C159-Y179 HydrophobicContact CB-CG 4.46Å; W175-Y179 HydrophobicContact CH2-CD1 4.43Å; W175-Y179 AromaticContact CH2-CD2 3.95Å; W175-Y179 HydrophobicContact CH2-CD2 3.95Å; W175-Y179 AromaticContact CH2-CG 3.83Å; W175-Y179 HydrophobicContact CH2-CG 3.83Å; W175-Y179 HydrophobicContact CZ2-CD2 4.5Å; W175-Y179 HydrophobicContact CZ3-CD1 4.26Å; W175-Y179 HydrophobicContact CZ3-CD2 4.49Å; W175-Y179 AromaticContact CZ3-CG 3.92Å; W175-Y179 HydrophobicContact CZ3-CG 3.92Å; W175-Y179 PolarHBondContact O-N 2.97Å; M176-Y179 HydrophobicContact CE-CD1 3.58Å; M176-Y179 HydrophobicContact CE-CE1 4.13Å; M176-Y179 PolarHBondContact O-N 3.37Å; M176-Y179 HydrophobicContact SD-CD1 4.27Å; Y179-T181 VanDerWaalsContact C-N 3.26Å; Y179-T181 PolarHBondContact O-N 3.27Å; Y179-A182 PolarHBondContact O-N 2.93Å; Y179-L183 HydrophobicContact CD1-CD1 4.04Å; Y179-L183 HydrophobicContact CD1-CG 4.5Å; Y179-L183 HydrophobicContact CD2-CG 4.24Å; Y179-L183 HydrophobicContact CE1-CD1 3.31Å; Y179-L183 HydrophobicContact CE1-CG 4.04Å; Y179-L183 HydrophobicContact CE2-CD1 3.95Å; Y179-L183 HydrophobicContact CE2-CD2 4.18Å; Y179-L183 HydrophobicContact CE2-CG 3.81Å; Y179-L183 PolarHBondContact O-N 3.39Å; Y179-L183 WeakPolarHBondContact OH-CD1 2.96Å
180R97.6Very high97.1Very high96 Ų9659.5 Ų59.536%0.36227%0.267SS..Hα-helixtrans-56-42.6175176.7170-170.6-172.73.1111.8M176 H178 R184 E204 L207M176-R180 WeakPolarHBondContact O-CB 3.28Å; M176-R180 PolarHBondContact O-N 2.93Å; H178-R180 PolarHBondContact O-N 3.32Å; R180-R184 WeakPolarHBondContact O-CB 3.44Å; R180-R184 PolarHBondContact O-N 3.5Å; R180-E204 IonicContact CZ-OE2 3.78Å; R180-E204 VanDerWaalsContact CZ-OE2 3.25Å; R180-E204 IonicContact NE-OE1 3.87Å; R180-E204 IonicContact NE-OE2 2.83Å; R180-E204 PolarHBondContact NE-OE2 3.42Å; R180-E204 IonicContact NH2-OE2 2.83Å; R180-E204 PolarHBondContact NH2-OE2 3.1Å; R180-L207 HydrophobicContact CB-CD1 4.03Å; R180-L207 HydrophobicContact CG-CD1 3.65Å
181T97.9Very high97Very high55 Ų5557.4 Ų57.434%0.33727%0.269SS..Hα-helixtrans-65.6-47.3178.8-57.30000111.1R177 H178 Y179 R184 H185R177-T181 PolarHBondContact O-N 3.2Å; R177-T181 VanDerWaalsContact O-N 3.15Å; R177-T181 PolarHBondContact O-OG1 2.92Å; H178-T181 WeakPolarHBondContact O-CB 3.35Å; H178-T181 PolarHBondContact O-N 3.02Å; H178-T181 VanDerWaalsContact O-N 3.09Å; Y179-T181 VanDerWaalsContact C-N 3.26Å; Y179-T181 PolarHBondContact O-N 3.27Å; T181-R184 PolarHBondContact O-N 3.42Å; T181-H185 PolarHBondContact O-CD2 2.88Å; T181-H185 PolarHBondContact O-N 2.96Å
182A98.1Very high96.7Very high1 Ų162.2 Ų62.21%0.00829%0.289CS..Hα-helixtrans-58.9-49.4177.900000111.9Q155 V156 H178 Y179 H185 F186Q155-A182 HydrophobicContact CB-CB 4.06Å; V156-A182 HydrophobicContact CG2-CB 4.44Å; H178-A182 PolarHBondContact O-N 2.75Å; Y179-A182 PolarHBondContact O-N 2.93Å; A182-H185 PolarHBondContact O-N 3.1Å; A182-F186 WeakPolarHBondContact O-CB 3.44Å; A182-F186 PolarHBondContact O-N 3.41Å
183L97.5Very high96.6Very high1 Ų156.2 Ų56.21%0.00526%0.264CS..Hα-helixtrans-59.1-49.6176.4-81.1-172.2000112.2C24 L28 V156 Y179 H185 F186 V187 I203C24-L183 HydrophobicContact CB-CD1 3.8Å; L28-L183 HydrophobicContact CD2-CD2 3.75Å; V156-L183 HydrophobicContact CG1-CD2 3.94Å; V156-L183 HydrophobicContact CG2-CD2 4.32Å; Y179-L183 HydrophobicContact CD1-CD1 4.04Å; Y179-L183 HydrophobicContact CD1-CG 4.5Å; Y179-L183 HydrophobicContact CD2-CG 4.24Å; Y179-L183 HydrophobicContact CE1-CD1 3.31Å; Y179-L183 HydrophobicContact CE1-CG 4.04Å; Y179-L183 HydrophobicContact CE2-CD1 3.95Å; Y179-L183 HydrophobicContact CE2-CD2 4.18Å; Y179-L183 HydrophobicContact CE2-CG 3.81Å; Y179-L183 PolarHBondContact O-N 3.39Å; Y179-L183 WeakPolarHBondContact OH-CD1 2.96Å; L183-H185 VanDerWaalsContact C-N 3.32Å; L183-H185 PolarHBondContact O-N 3.4Å; L183-F186 PolarHBondContact O-N 3.01Å; L183-V187 WeakPolarHBondContact O-CB 3.35Å; L183-V187 WeakPolarHBondContact O-CG2 3.49Å; L183-V187 PolarHBondContact O-N 2.84Å; L183-I203 HydrophobicContact CD1-CG2 3.86Å
184R97.1Very high96.3Very high96 Ų9657 Ų5736%0.36227%0.273SS..Hα-helixtrans-58.6-46.3-178-178.8-179.367.2-162-5111.1R180 T181 Q188R180-R184 WeakPolarHBondContact O-CB 3.44Å; R180-R184 PolarHBondContact O-N 3.5Å; T181-R184 PolarHBondContact O-N 3.42Å; R184-Q188 HydrophobicContact CG-CG 4.33Å; R184-Q188 VanDerWaalsContact O-CB 3.24Å; R184-Q188 WeakPolarHBondContact O-CB 3.37Å; R184-Q188 WeakPolarHBondContact O-CG 3.4Å; R184-Q188 PolarHBondContact O-N 3.45Å
185H97.9Very high96.2Very high76 Ų7654.8 Ų54.835%0.35226%0.26SS..Hα-helixtrans-63.4-43.8179.8-74.3-136.8000111.1L152 T181 A182 L183 Q189L152-H185 HydrophobicContact CD1-CB 4.34Å; L152-H185 HydrophobicContact CD2-CB 4.01Å; T181-H185 PolarHBondContact O-CD2 2.88Å; T181-H185 PolarHBondContact O-N 2.96Å; A182-H185 PolarHBondContact O-N 3.1Å; L183-H185 VanDerWaalsContact C-N 3.32Å; L183-H185 PolarHBondContact O-N 3.4Å; H185-Q189 PolarHBondContact O-N 3.29Å
186F98.1Very high96.1Very high0 Ų052.7 Ų52.70%025%0.252CS..Hα-helixtrans-64.1-48177.9177.4-120.6000112.7L28 L32 L136 I139 V148 L152 V153 V156 A182 L183 Q188 Q189 L190L28-F186 HydrophobicContact CD1-CD1 4.18Å; L28-F186 HydrophobicContact CD1-CE1 3.99Å; L28-F186 HydrophobicContact CD2-CD1 4.21Å; L28-F186 HydrophobicContact CD2-CE1 4.11Å; L28-F186 HydrophobicContact CG-CE1 4.5Å; L32-F186 HydrophobicContact CD1-CE1 4.17Å; L32-F186 HydrophobicContact CD1-CZ 4.44Å; L32-F186 HydrophobicContact CD2-CE1 4.05Å; L32-F186 HydrophobicContact CD2-CZ 4.03Å; L136-F186 HydrophobicContact CD2-CE1 3.78Å; L136-F186 HydrophobicContact CD2-CZ 3.97Å; I139-F186 HydrophobicContact CD1-CZ 4.33Å; V148-F186 HydrophobicContact CG1-CD2 4.4Å; V148-F186 HydrophobicContact CG1-CE2 3.78Å; L152-F186 HydrophobicContact CB-CB 4.4Å; L152-F186 HydrophobicContact CB-CD2 4.36Å; V153-F186 HydrophobicContact CB-CE2 4.5Å; V153-F186 HydrophobicContact CG2-CD2 4.17Å; V153-F186 HydrophobicContact CG2-CE2 3.66Å; V153-F186 HydrophobicContact CG2-CZ 4.49Å; V156-F186 HydrophobicContact CG2-CB 3.71Å; V156-F186 HydrophobicContact CG2-CD1 4Å; V156-F186 HydrophobicContact CG2-CG 3.96Å; A182-F186 WeakPolarHBondContact O-CB 3.44Å; A182-F186 PolarHBondContact O-N 3.41Å; L183-F186 PolarHBondContact O-N 3.01Å; F186-Q188 PolarHBondContact O-N 3.44Å; F186-Q189 WeakPolarHBondContact O-CB 3.2Å; F186-Q189 PolarHBondContact O-N 2.99Å; F186-L190 HydrophobicContact CE1-CD1 4.14Å; F186-L190 HydrophobicContact CE2-CD1 4.17Å; F186-L190 HydrophobicContact CZ-CD1 3.82Å; F186-L190 PolarHBondContact O-N 3.06Å
187V97.1Very high95.9Very high12 Ų1257 Ų577%0.07327%0.274CS..Hα-helixtrans-66.8-37.7-179.91750000111.6L28 L183 Q189 L190 S191 M196 I203L28-V187 HydrophobicContact CD1-CG2 3.89Å; L183-V187 WeakPolarHBondContact O-CB 3.35Å; L183-V187 WeakPolarHBondContact O-CG2 3.49Å; L183-V187 PolarHBondContact O-N 2.84Å; V187-Q189 VanDerWaalsContact C-N 3.27Å; V187-Q189 PolarHBondContact O-N 3.48Å; V187-L190 CarbonylContact O-C 3.58Å; V187-L190 PolarHBondContact O-N 3.44Å; V187-S191 PolarHBondContact O-N 2.97Å; V187-M196 HydrophobicContact CG1-CE 4.14Å; V187-M196 HydrophobicContact CG2-CE 4.32Å; V187-I203 HydrophobicContact CG2-CD1 3.98Å
188Q96.1Very high95.9Very high114 Ų11453.8 Ų53.853%0.53327%0.272SS..Hα-helixtrans-61.5-35.5174.8-78.2173.2-10.500112.5R184 F186 L190 S191R184-Q188 HydrophobicContact CG-CG 4.33Å; R184-Q188 VanDerWaalsContact O-CB 3.24Å; R184-Q188 WeakPolarHBondContact O-CB 3.37Å; R184-Q188 WeakPolarHBondContact O-CG 3.4Å; R184-Q188 PolarHBondContact O-N 3.45Å; F186-Q188 PolarHBondContact O-N 3.44Å; Q188-L190 PolarHBondContact O-N 3.19Å; Q188-S191 WeakPolarHBondContact O-CB 3.32Å; Q188-S191 PolarHBondContact O-N 3.35Å; Q188-S191 VanDerWaalsContact O-N 3.13Å; Q188-S191 PolarHBondContact O-OG 2.87Å
189Q96.1Very high95.8Very high51 Ų5150.2 Ų50.224%0.23826%0.255CS..Hα-helixtrans-62.1-31174.5-176.6168.140.200112.2S147 L152 H185 F186 V187 S191 F192S147-Q189 PolarHBondContact O-NE2 2.83Å; L152-Q189 HydrophobicContact CD1-CB 4.28Å; H185-Q189 PolarHBondContact O-N 3.29Å; F186-Q189 WeakPolarHBondContact O-CB 3.2Å; F186-Q189 PolarHBondContact O-N 2.99Å; V187-Q189 VanDerWaalsContact C-N 3.27Å; V187-Q189 PolarHBondContact O-N 3.48Å; Q189-S191 VanDerWaalsContact C-N 3.29Å; Q189-S191 PolarHBondContact O-N 3.39Å; Q189-F192 WeakPolarHBondContact O-CD1 3.36Å; Q189-F192 WeakPolarHBondContact O-CE1 3.35Å
190L95.9Very high95.8Very high0 Ų051 Ų510%026%0.264CS..THydrogen-bonded Turntrans-87.411.2178.2-63173.1000113.5L32 F35 V148 F186 V187 Q188 F192 V193 M196L32-L190 HydrophobicContact CD2-CD1 3.62Å; F35-L190 HydrophobicContact CD1-CD2 4.35Å; F35-L190 HydrophobicContact CE1-CD2 3.76Å; F35-L190 HydrophobicContact CZ-CD2 3.84Å; V148-L190 HydrophobicContact CG2-CD2 3.7Å; F186-L190 HydrophobicContact CE1-CD1 4.14Å; F186-L190 HydrophobicContact CE2-CD1 4.17Å; F186-L190 HydrophobicContact CZ-CD1 3.82Å; F186-L190 PolarHBondContact O-N 3.06Å; V187-L190 CarbonylContact O-C 3.58Å; V187-L190 PolarHBondContact O-N 3.44Å; Q188-L190 PolarHBondContact O-N 3.19Å; L190-F192 HydrophobicContact CD2-CE1 4.14Å; L190-F192 HydrophobicContact CD2-CZ 3.99Å; L190-F192 PolarHBondContact O-N 3.41Å; L190-V193 VanDerWaalsContact O-CB 3.32Å; L190-V193 WeakPolarHBondContact O-CB 3.24Å; L190-V193 PolarHBondContact O-N 3.45Å; L190-M196 HydrophobicContact CB-CB 4.09Å; L190-M196 HydrophobicContact CB-CE 4.23Å; L190-M196 HydrophobicContact CB-CG 3.97Å; L190-M196 HydrophobicContact CD1-CE 3.78Å; L190-M196 HydrophobicContact CD1-SD 4.5Å; L190-M196 WeakPolarHBondContact O-CB 3.39Å
191S92.1Very high95.7Very high64 Ų6453.1 Ų53.145%0.44828%0.275SS..THydrogen-bonded Turntrans-60.4-17.9-179.5550000114.9V187 Q188 Q189 V193V187-S191 PolarHBondContact O-N 2.97Å; Q188-S191 WeakPolarHBondContact O-CB 3.32Å; Q188-S191 PolarHBondContact O-N 3.35Å; Q188-S191 VanDerWaalsContact O-N 3.13Å; Q188-S191 PolarHBondContact O-OG 2.87Å; Q189-S191 VanDerWaalsContact C-N 3.29Å; Q189-S191 PolarHBondContact O-N 3.39Å; S191-V193 PolarHBondContact O-N 3.26Å
192F91.8Very high95.7Very high112 Ų11254.9 Ų54.949%0.49128%0.28SS..THydrogen-bonded Turntrans-69.5-14.5171.365.1-94.5000113.1F35 Q189 L190F35-F192 AromaticContact CE2-CE2 3.98Å; F35-F192 HydrophobicContact CE2-CE2 3.98Å; F35-F192 HydrophobicContact CE2-CZ 4.11Å; F35-F192 HydrophobicContact CZ-CZ 4.24Å; Q189-F192 WeakPolarHBondContact O-CD1 3.36Å; Q189-F192 WeakPolarHBondContact O-CE1 3.35Å; L190-F192 HydrophobicContact CD2-CE1 4.14Å; L190-F192 HydrophobicContact CD2-CZ 3.99Å; L190-F192 PolarHBondContact O-N 3.41Å
193V93.8Very high95.7Very high10 Ų1055 Ų556%0.06128%0.28CS..SBendtrans-93.8114.5174.9-174.50000108.4F35 L190 S191 H195 M196F35-V193 HydrophobicContact CB-CG1 4.39Å; F35-V193 HydrophobicContact CD2-CG1 4.35Å; F35-V193 HydrophobicContact CD2-CG2 3.51Å; F35-V193 HydrophobicContact CE2-CG2 3.77Å; F35-V193 HydrophobicContact CG-CG2 4.26Å; L190-V193 VanDerWaalsContact O-CB 3.32Å; L190-V193 WeakPolarHBondContact O-CB 3.24Å; L190-V193 PolarHBondContact O-N 3.45Å; S191-V193 PolarHBondContact O-N 3.26Å; V193-H195 WeakPolarHBondContact CG1-CE1 3.47Å; V193-H195 WeakPolarHBondContact CG1-ND1 3.4Å; V193-H195 PolarHBondContact O-N 3.43Å; V193-M196 HydrophobicContact CB-CB 4.06Å; V193-M196 HydrophobicContact CB-CG 3.7Å; V193-M196 HydrophobicContact CG1-CB 4.48Å; V193-M196 HydrophobicContact CG1-CG 3.81Å; V193-M196 HydrophobicContact CG2-CG 4.45Å; V193-M196 WeakPolarHBondContact O-CB 3.21Å; V193-M196 PolarHBondContact O-N 2.97Å
194P90.8Very high95.6Very high107 Ų10757.3 Ų57.370%0.69529%0.291SS*.Hα-helixtrans-54.8-43.1-169.1-3035.7000115.2M196 L197P194-M196 VanDerWaalsContact C-N 3.3Å; P194-M196 PolarHBondContact O-N 3.05Å; P194-L197 PolarHBondContact O-N 3.2Å
195H93.6Very high95.5Very high62 Ų6256.8 Ų56.829%0.28730%0.295SS..Hα-helixtrans-74-20-178.770.4-86.2000113.3G31 V193 L197 T198 V199G31-H195 PolarHBondContact O-CD2 2.95Å; G31-H195 PolarHBondContact O-NE2 3.14Å; V193-H195 WeakPolarHBondContact CG1-CE1 3.47Å; V193-H195 WeakPolarHBondContact CG1-ND1 3.4Å; V193-H195 PolarHBondContact O-N 3.43Å; H195-L197 PolarHBondContact O-N 3.46Å; H195-T198 WeakPolarHBondContact O-CB 3.4Å; H195-T198 PolarHBondContact O-N 3.47Å; H195-T198 VanDerWaalsContact O-N 3.08Å; H195-V199 WeakPolarHBondContact O-CG2 3.37Å; H195-V199 PolarHBondContact O-N 3.46Å; H195-V199 VanDerWaalsContact O-N 3.1Å
196M95.8Very high95.5Very high0 Ų053.8 Ų53.80%028%0.282CS..Hα-helixtrans-68.9-21.4178.7-71.4-61.2-52.500112.8L28 L32 V187 L190 V193 P194 V199 G200L28-M196 HydrophobicContact CD1-CE 4.27Å; L32-M196 HydrophobicContact CD2-CE 4.46Å; V187-M196 HydrophobicContact CG1-CE 4.14Å; V187-M196 HydrophobicContact CG2-CE 4.32Å; L190-M196 HydrophobicContact CB-CB 4.09Å; L190-M196 HydrophobicContact CB-CE 4.23Å; L190-M196 HydrophobicContact CB-CG 3.97Å; L190-M196 HydrophobicContact CD1-CE 3.78Å; L190-M196 HydrophobicContact CD1-SD 4.5Å; L190-M196 WeakPolarHBondContact O-CB 3.39Å; V193-M196 HydrophobicContact CB-CB 4.06Å; V193-M196 HydrophobicContact CB-CG 3.7Å; V193-M196 HydrophobicContact CG1-CB 4.48Å; V193-M196 HydrophobicContact CG1-CG 3.81Å; V193-M196 HydrophobicContact CG2-CG 4.45Å; V193-M196 WeakPolarHBondContact O-CB 3.21Å; V193-M196 PolarHBondContact O-N 2.97Å; P194-M196 VanDerWaalsContact C-N 3.3Å; P194-M196 PolarHBondContact O-N 3.05Å; M196-V199 HydrophobicContact CE-CB 4.16Å; M196-V199 HydrophobicContact CE-CG1 3.91Å; M196-V199 PolarHBondContact O-N 2.96Å; M196-V199 HydrophobicContact SD-CB 4.25Å; M196-V199 HydrophobicContact SD-CG1 4.39Å; M196-V199 HydrophobicContact SD-CG2 4.09Å; M196-G200 PolarHBondContact O-N 3.03Å
197L94.3Very high95.2Very high108 Ų10854.7 Ų54.757%0.56529%0.286SS*.Hα-helixtrans-64.4-42.3169.5-64175.9000111.4P194 H195 G200 K201P194-L197 PolarHBondContact O-N 3.2Å; H195-L197 PolarHBondContact O-N 3.46Å; L197-G200 PolarHBondContact O-N 2.91Å; L197-K201 PolarHBondContact O-N 3.41Å; L197-K201 VanDerWaalsContact O-N 3.09Å
198T96.1Very high95Very high81 Ų8158.5 Ų58.550%0.49731%0.31SS..Hα-helixtrans-65.9-43175.4-55.80000111.1H195 G200 K201 Q202H195-T198 WeakPolarHBondContact O-CB 3.4Å; H195-T198 PolarHBondContact O-N 3.47Å; H195-T198 VanDerWaalsContact O-N 3.08Å; T198-G200 VanDerWaalsContact C-N 3.32Å; T198-G200 PolarHBondContact O-N 2.78Å; T198-K201 PolarHBondContact O-N 3.34Å; T198-Q202 WeakPolarHBondContact O-CG 3.47Å; T198-Q202 PolarHBondContact O-N 3.23Å
199V97Very high94.8Very high8 Ų855.4 Ų55.45%0.04830%0.299CS..Hα-helixtrans-58.3-45.3175.4174.30000110.6I27 H195 M196 K201 Q202 I203I27-V199 HydrophobicContact CG2-CG1 4.11Å; H195-V199 WeakPolarHBondContact O-CG2 3.37Å; H195-V199 PolarHBondContact O-N 3.46Å; H195-V199 VanDerWaalsContact O-N 3.1Å; M196-V199 HydrophobicContact CE-CB 4.16Å; M196-V199 HydrophobicContact CE-CG1 3.91Å; M196-V199 PolarHBondContact O-N 2.96Å; M196-V199 HydrophobicContact SD-CB 4.25Å; M196-V199 HydrophobicContact SD-CG1 4.39Å; M196-V199 HydrophobicContact SD-CG2 4.09Å; V199-K201 VanDerWaalsContact C-N 3.33Å; V199-K201 PolarHBondContact O-N 3.18Å; V199-Q202 PolarHBondContact O-N 3.01Å; V199-I203 HydrophobicContact CG1-CD1 3.97Å; V199-I203 WeakPolarHBondContact O-CG1 3.38Å; V199-I203 PolarHBondContact O-N 3.05Å
200G96.9Very high94.4Very high17 Ų1758.7 Ų58.718%0.17532%0.318CS..Hα-helixtrans-60-41.4176.100000113M196 L197 T198 I203 E204M196-G200 PolarHBondContact O-N 3.03Å; L197-G200 PolarHBondContact O-N 2.91Å; T198-G200 VanDerWaalsContact C-N 3.32Å; T198-G200 PolarHBondContact O-N 2.78Å; G200-I203 PolarHBondContact O-N 2.9Å; G200-E204 WeakPolarHBondContact O-CG 3.44Å; G200-E204 PolarHBondContact O-N 2.89Å
201K96.3Very high94.1Very high140 Ų14058.9 Ų58.961%0.60932%0.319SS*.Hα-helixtrans-64-46.9174.4-173.3-178.1174.9-174.20111.9L197 T198 V199 I203 E204 D205L197-K201 PolarHBondContact O-N 3.41Å; L197-K201 VanDerWaalsContact O-N 3.09Å; T198-K201 PolarHBondContact O-N 3.34Å; V199-K201 VanDerWaalsContact C-N 3.33Å; V199-K201 PolarHBondContact O-N 3.18Å; K201-I203 VanDerWaalsContact C-N 3.28Å; K201-I203 PolarHBondContact O-N 3.3Å; K201-E204 PolarHBondContact O-N 3.4Å; K201-D205 WeakPolarHBondContact O-CB 3.44Å; K201-D205 PolarHBondContact O-N 3.04Å
202Q97.4Very high93.6Very high93 Ų9359.1 Ų59.144%0.43532%0.321SS..Hα-helixtrans-59.3-39.1178.3-72.8174.2-18.200112.4I27 T198 V199 M206I27-Q202 HydrophobicContact CD1-CB 4.46Å; I27-Q202 HydrophobicContact CG2-CB 3.87Å; T198-Q202 WeakPolarHBondContact O-CG 3.47Å; T198-Q202 PolarHBondContact O-N 3.23Å; V199-Q202 PolarHBondContact O-N 3.01Å; Q202-M206 VanDerWaalsContact O-CB 3.26Å; Q202-M206 WeakPolarHBondContact O-CB 3.3Å; Q202-M206 PolarHBondContact O-N 2.9Å
203I97.4Very high93Very high3 Ų355 Ų552%0.01530%0.303CS..Hα-helixtrans-63.6-50174.4-73.1169.5000110.5C24 I27 L28 L183 V187 V199 G200 K201 D205 M206 L207C24-I203 HydrophobicContact CB-CG1 4.38Å; C24-I203 HydrophobicContact CB-CG2 4.3Å; I27-I203 HydrophobicContact CB-CG1 4.3Å; I27-I203 HydrophobicContact CG2-CD1 4.45Å; I27-I203 HydrophobicContact CG2-CG1 3.81Å; L28-I203 HydrophobicContact CB-CD1 4.28Å; L28-I203 HydrophobicContact CD1-CD1 4.42Å; L183-I203 HydrophobicContact CD1-CG2 3.86Å; V187-I203 HydrophobicContact CG2-CD1 3.98Å; V199-I203 HydrophobicContact CG1-CD1 3.97Å; V199-I203 WeakPolarHBondContact O-CG1 3.38Å; V199-I203 PolarHBondContact O-N 3.05Å; G200-I203 PolarHBondContact O-N 2.9Å; K201-I203 VanDerWaalsContact C-N 3.28Å; K201-I203 PolarHBondContact O-N 3.3Å; I203-D205 PolarHBondContact O-N 2.9Å; I203-M206 PolarHBondContact O-N 2.89Å; I203-L207 HydrophobicContact CG2-CD1 3.92Å; I203-L207 HydrophobicContact CG2-CG 4.44Å; I203-L207 WeakPolarHBondContact O-CG 3.28Å; I203-L207 PolarHBondContact O-N 3.09Å
204E96.3Very high91.6Very high50 Ų5063.3 Ų63.323%0.23433%0.334CS..Hα-helixtrans-62.3-42.2179.1-70-65.7158.600112.1R180 G200 K201 M206 L207 T208R180-E204 IonicContact CZ-OE2 3.78Å; R180-E204 VanDerWaalsContact CZ-OE2 3.25Å; R180-E204 IonicContact NE-OE1 3.87Å; R180-E204 IonicContact NE-OE2 2.83Å; R180-E204 PolarHBondContact NE-OE2 3.42Å; R180-E204 IonicContact NH2-OE2 2.83Å; R180-E204 PolarHBondContact NH2-OE2 3.1Å; G200-E204 WeakPolarHBondContact O-CG 3.44Å; G200-E204 PolarHBondContact O-N 2.89Å; K201-E204 PolarHBondContact O-N 3.4Å; E204-M206 PolarHBondContact O-N 3.37Å; E204-L207 PolarHBondContact O-N 3.48Å; E204-T208 WeakPolarHBondContact O-CG2 3.21Å; E204-T208 PolarHBondContact O-N 3.49Å; E204-T208 PolarHBondContact O-OG1 2.94Å
205D95.5Very high90Very high84 Ų8460.2 Ų60.245%0.44931%0.313SS..Hα-helixtrans-58.7-48175.2-68-15.9000110.1K201 I203 L207 T208 V209K201-D205 WeakPolarHBondContact O-CB 3.44Å; K201-D205 PolarHBondContact O-N 3.04Å; I203-D205 PolarHBondContact O-N 2.9Å; D205-L207 VanDerWaalsContact C-N 3.35Å; D205-L207 PolarHBondContact O-N 3.22Å; D205-T208 PolarHBondContact O-N 3.19Å; D205-T208 VanDerWaalsContact O-N 3.11Å; D205-T208 PolarHBondContact O-OG1 3.41Å; D205-V209 PolarHBondContact O-N 3.24Å; D205-V209 VanDerWaalsContact O-N 3.08Å
206M96.3Very high87.9Confident13 Ų1364.2 Ų64.26%0.06433%0.33CS..Hα-helixtrans-60.7-39.8178.3-172.264.1-123.800112.9K20 R23 I27 Q202 I203 E204 T208 V209 L211 W245K20-M206 HydrophobicContact CG-CE 3.93Å; R23-M206 HydrophobicContact CB-CE 4.4Å; R23-M206 HydrophobicContact CB-CG 4Å; R23-M206 HydrophobicContact CB-SD 4.04Å; R23-M206 HydrophobicContact CG-CE 4.33Å; R23-M206 HydrophobicContact CG-CG 3.77Å; R23-M206 HydrophobicContact CG-SD 3.45Å; R23-M206 WeakPolarHBondContact CG-SD 3.33Å; I27-M206 HydrophobicContact CD1-CB 4.15Å; I27-M206 HydrophobicContact CD1-CG 4.28Å; Q202-M206 VanDerWaalsContact O-CB 3.26Å; Q202-M206 WeakPolarHBondContact O-CB 3.3Å; Q202-M206 PolarHBondContact O-N 2.9Å; I203-M206 PolarHBondContact O-N 2.89Å; E204-M206 PolarHBondContact O-N 3.37Å; M206-T208 PolarHBondContact O-N 3.47Å; M206-V209 HydrophobicContact CE-CB 4.5Å; M206-V209 HydrophobicContact CE-CG1 3.37Å; M206-V209 WeakPolarHBondContact O-CG1 3.45Å; M206-V209 PolarHBondContact O-N 3.4Å; M206-V209 HydrophobicContact SD-CG1 4.43Å; M206-L211 HydrophobicContact CE-CD2 4.18Å; M206-W245 HydrophobicContact CE-CE3 4.02Å; M206-W245 HydrophobicContact CE-CH2 4.4Å; M206-W245 HydrophobicContact CE-CZ3 3.74Å; M206-W245 HydrophobicContact SD-CE3 4.35Å; M206-W245 HydrophobicContact SD-CH2 4.22Å; M206-W245 HydrophobicContact SD-CZ3 4.07Å
207L93.7Very high85.7Confident19 Ų1967.3 Ų67.310%0.09936%0.362CS..Hα-helixtrans-65.4-28.8178.1-68.8171.8000112.3K20 M176 R180 I203 E204 D205K20-L207 PolarHBondContact NZ-O 3.24Å; M176-L207 HydrophobicContact CE-CD2 3.04Å; R180-L207 HydrophobicContact CB-CD1 4.03Å; R180-L207 HydrophobicContact CG-CD1 3.65Å; I203-L207 HydrophobicContact CG2-CD1 3.92Å; I203-L207 HydrophobicContact CG2-CG 4.44Å; I203-L207 WeakPolarHBondContact O-CG 3.28Å; I203-L207 PolarHBondContact O-N 3.09Å; E204-L207 PolarHBondContact O-N 3.48Å; D205-L207 VanDerWaalsContact C-N 3.35Å; D205-L207 PolarHBondContact O-N 3.22Å
208T91.9Very high83.5Confident93 Ų9367.8 Ų67.857%0.57137%0.369SS*.Hα-helixtrans-94.3-11-178.362.40000114.9E204 D205 M206E204-T208 WeakPolarHBondContact O-CG2 3.21Å; E204-T208 PolarHBondContact O-N 3.49Å; E204-T208 PolarHBondContact O-OG1 2.94Å; D205-T208 PolarHBondContact O-N 3.19Å; D205-T208 VanDerWaalsContact O-N 3.11Å; D205-T208 PolarHBondContact O-OG1 3.41Å; M206-T208 PolarHBondContact O-N 3.47Å
209V91.4Very high81.2Confident49 Ų4969.9 Ų69.930%0.29738%0.377SS..  trans-60.7141.5-177.184.50000111.5K20 D205 M206 L211K20-V209 WeakPolarHBondContact CE-O 3.31Å; K20-V209 PolarHBondContact NZ-O 3.33Å; D205-V209 PolarHBondContact O-N 3.24Å; D205-V209 VanDerWaalsContact O-N 3.08Å; M206-V209 HydrophobicContact CE-CB 4.5Å; M206-V209 HydrophobicContact CE-CG1 3.37Å; M206-V209 WeakPolarHBondContact O-CG1 3.45Å; M206-V209 PolarHBondContact O-N 3.4Å; M206-V209 HydrophobicContact SD-CG1 4.43Å; V209-L211 HydrophobicContact CG1-CD2 3.53Å; V209-L211 HydrophobicContact CG1-CG 3.94Å
210D88.7Confident78.6Confident119 Ų11976.6 Ų76.664%0.63641%0.408SS*.  trans-85.6121.5166.3-173.44.6000108.7S212D210-S212 VanDerWaalsContact C-N 3.35Å; D210-S212 VanDerWaalsContact OD1-CB 3.25Å; D210-S212 WeakPolarHBondContact OD1-CB 3.49Å; D210-S212 PolarHBondContact OD1-N 3.45Å; D210-S212 PolarHBondContact OD1-OG 2.72Å
211L88.8Confident76.1Confident5 Ų583.3 Ų83.33%0.02644%0.439CS..  trans-91.92179.7-64.4-179.7000112.6L10 K16 L19 K20 M206 V209 I213 V242 W245L10-L211 HydrophobicContact CD2-CB 4.19Å; L10-L211 HydrophobicContact CD2-CD1 4.33Å; K16-L211 HydrophobicContact CB-CD1 4.16Å; K16-L211 HydrophobicContact CD-CB 3.98Å; K16-L211 HydrophobicContact CG-CB 4.16Å; K16-L211 HydrophobicContact CG-CD1 4.15Å; L19-L211 HydrophobicContact CD2-CD1 4.25Å; K20-L211 HydrophobicContact CD-CD1 4.48Å; K20-L211 HydrophobicContact CG-CD1 3.83Å; K20-L211 HydrophobicContact CG-CG 4.49Å; M206-L211 HydrophobicContact CE-CD2 4.18Å; V209-L211 HydrophobicContact CG1-CD2 3.53Å; V209-L211 HydrophobicContact CG1-CG 3.94Å; L211-I213 PolarHBondContact O-N 3.41Å; L211-V242 HydrophobicContact CD2-CG1 4.44Å; L211-V242 HydrophobicContact CD2-CG2 3.83Å; L211-W245 HydrophobicContact CD2-CE3 4.37Å; L211-W245 HydrophobicContact CD2-CZ3 3.88Å
212S82.9Confident73.7Confident69 Ų6984.2 Ų84.248%0.48345%0.451SS..PPolyproline II helixtrans-59.2116.1177.6-55.90000111.3D210D210-S212 VanDerWaalsContact C-N 3.35Å; D210-S212 VanDerWaalsContact OD1-CB 3.25Å; D210-S212 WeakPolarHBondContact OD1-CB 3.49Å; D210-S212 PolarHBondContact OD1-N 3.45Å; D210-S212 PolarHBondContact OD1-OG 2.72Å
213I77.8Confident71.2Confident24 Ų2485.4 Ų85.412%0.12347%0.469CS..PPolyproline II helixtrans-91.2121.4175.5-59.8175.8000108.9R3 L6 L10 L211 A239R3-I213 HydrophobicContact CG-CG2 4.38Å; L6-I213 HydrophobicContact CD2-CD1 3.68Å; L6-I213 HydrophobicContact CG-CD1 3.88Å; L10-I213 HydrophobicContact CD1-CD1 3.38Å; L10-I213 HydrophobicContact CD1-CG1 3.74Å; L211-I213 PolarHBondContact O-N 3.41Å; I213-A239 HydrophobicContact CD1-CB 3.82Å; I213-A239 HydrophobicContact CG1-CB 4.34Å; I213-A239 HydrophobicContact CG2-CB 4Å
214R65.3Low68.7Low185 Ų18590.7 Ų90.770%0.69851%0.513SS*.PPolyproline II helixtrans-76.5127.5170.5-63.6-173.1-177.6-1680.5110R3R3-R214 PolarHBondContact NH2-O 3.24Å
215V57.6Low66Low42 Ų4291.3 Ų91.326%0.25553%0.533SS..  trans-101.8106.7173.8-177.50000108.4T7 G217T7-V215 HydrophobicContact CG2-CG2 4.07Å; V215-G217 PolarHBondContact O-N 2.99Å
216F48.6Very low63.7Low146 Ų14694 Ų9464%0.6456%0.555SS**THydrogen-bonded Turntrans-68.5118173.3-82.3-85.2000109.5P235F216-P235 HydrophobicContact CD2-CG 4.38Å; F216-P235 HydrophobicContact CE2-CG 3.88Å
217G50.7Low61Low66 Ų6698.7 Ų98.768%0.6859%0.589SS**THydrogen-bonded Turntrans137.6-18.6179.300000114.8V215V215-G217 PolarHBondContact O-N 2.99Å
218V47.2Very low58.8Low117 Ų117102.2 Ų102.271%0.70962%0.621SS**THydrogen-bonded Turntrans-118.6-26.6177.4-166.30000112.3
219D47Very low56.2Low126 Ų126105.2 Ų105.267%0.67463%0.634SS**SBendtrans-89.1-3.6179.6-69.6-26.8000114.7L221D219-L221 PolarHBondContact O-N 3.49Å
220Q42.5Very low53.7Low149 Ų149108.9 Ų108.970%0.69666%0.662SS**  trans-87.781.4170.4-91.9179.49.700109.5D222Q220-D222 PolarHBondContact O-N 3.46Å
221L44.3Very low51.2Low158 Ų158109.2 Ų109.283%0.82766%0.663SS**  trans-69.5122.2152.9-119.997.2000107.9D219 S223D219-L221 PolarHBondContact O-N 3.49Å; L221-S223 PolarHBondContact O-N 3.05Å; L221-S223 VanDerWaalsContact O-N 3.11Å
222D46.2Very low49Very low159 Ų159114.7 Ų114.785%0.8570%0.699SS**SBendtrans-2.290.3170.9-70.9-28.4000116.6Q220Q220-D222 PolarHBondContact O-N 3.46Å
223S45.9Very low47Very low117 Ų117118.5 Ų118.582%0.81871%0.714SS**  trans-144.7116154.3-79.20000109.7L221L221-S223 PolarHBondContact O-N 3.05Å; L221-S223 VanDerWaalsContact O-N 3.11Å
224A45.2Very low45.4Very low114 Ų114119.5 Ų119.594%0.94272%0.723SS**  trans-66.4141.9-167.400000114.3
225G39.7Very low44.8Very low64 Ų64113.4 Ų113.466%0.6671%0.707SS**  trans141.2121.4154.600000114.3S227G225-S227 PolarHBondContact O-N 3.14Å
226P45.8Very low44.4Very low140 Ų140116.8 Ų116.891%0.90972%0.721SS**  trans-84.4100.6172.932.1-26.7000109.4
227S40.6Very low44.9Very low111 Ų111113.3 Ų113.378%0.77672%0.715SS**  trans-97.3103.2162.756.90000108.8G225 D229G225-S227 PolarHBondContact O-N 3.14Å; S227-D229 PolarHBondContact O-N 2.9Å; S227-D229 VanDerWaalsContact O-N 3.16Å
228A46.9Very low46.2Very low94 Ų94112 Ų11278%0.77770%0.701SS**  trans-70.696.9164.800000108.4
229D36.5Very low47.9Very low156 Ų156107 Ų10783%0.83467%0.671SS**  trans-154.687.1157.7-85.6-35000106S227 D231S227-D229 PolarHBondContact O-N 2.9Å; S227-D229 VanDerWaalsContact O-N 3.16Å; D229-D231 PolarHBondContact O-N 3.3Å; D229-D231 VanDerWaalsContact O-N 3.16Å
230S39Very low49.8Very low126 Ų126107.5 Ų107.588%0.88167%0.67SS**  trans-74102.2172.4-61.40000108.2
231D36.6Very low52Low126 Ų126101.7 Ų101.767%0.67465%0.646SS**  trans-55.2142.3168.7-128.1-24.1000110.2D229 D233D229-D231 PolarHBondContact O-N 3.3Å; D229-D231 VanDerWaalsContact O-N 3.16Å; D231-D233 PolarHBondContact O-N 3.18Å
232P42.3Very low54.3Low119 Ų11994.6 Ų94.677%0.77361%0.609SS**SBendtrans-64.9-19178.9-16.430.2000113.5S234P232-S234 PolarHBondContact O-N 3.33Å; P232-S234 VanDerWaalsContact O-N 3.12Å
233D42.3Very low56.5Low150 Ų15087.8 Ų87.880%0.80257%0.574SS**SBendtrans-86.252.8175-75.1-22.3000111.4D231D231-D233 PolarHBondContact O-N 3.18Å
234S44.3Very low58.8Low45 Ų4588.5 Ų88.532%0.31556%0.559SS.*  trans-60.5137.2177.5-176.90000111.1P232 E236 S237P232-S234 PolarHBondContact O-N 3.33Å; P232-S234 VanDerWaalsContact O-N 3.12Å; S234-E236 PolarHBondContact O-N 3.36Å; S234-S237 WeakPolarHBondContact O-CB 3.36Å; S234-S237 PolarHBondContact O-N 3.26Å
235P50.8Low61.2Low56 Ų5685 Ų8536%0.36452%0.521SS..Hα-helixtrans-61.6-9.5174.617.7-25000114.2F216 S237 G238 A239F216-P235 HydrophobicContact CD2-CG 4.38Å; F216-P235 HydrophobicContact CE2-CG 3.88Å; P235-S237 VanDerWaalsContact C-N 3.33Å; P235-G238 PolarHBondContact O-N 3.28Å; P235-A239 PolarHBondContact O-N 3.3Å
236E49.8Very low63.9Low114 Ų11482 Ų8253%0.53349%0.49SS..Hα-helixtrans-61.8-39.3167.3-68.7-180156.200112S234 G238 A239 E240S234-E236 PolarHBondContact O-N 3.36Å; E236-G238 VanDerWaalsContact C-N 3.29Å; E236-G238 PolarHBondContact O-N 3.28Å; E236-A239 PolarHBondContact O-N 3.32Å; E236-E240 WeakPolarHBondContact O-CB 3.31Å; E236-E240 VanDerWaalsContact O-CG 3.3Å; E236-E240 WeakPolarHBondContact O-CG 3.26Å; E236-E240 PolarHBondContact O-N 3.46Å; E236-E240 VanDerWaalsContact O-N 3.08Å
237S59.2Low66.3Low73 Ų7375.7 Ų75.751%0.5145%0.45SS..Hα-helixtrans-64.2-34.3177.8-173.20000112.5S234 P235 S241S234-S237 WeakPolarHBondContact O-CB 3.36Å; S234-S237 PolarHBondContact O-N 3.26Å; P235-S237 VanDerWaalsContact C-N 3.33Å; S237-S241 VanDerWaalsContact O-CB 3.29Å; S237-S241 WeakPolarHBondContact O-CB 3.42Å; S237-S241 PolarHBondContact O-N 2.75Å; S237-S241 VanDerWaalsContact O-N 3.15Å; S237-S241 PolarHBondContact O-OG 3.38Å
238G77.8Confident68.9Low38 Ų3873.8 Ų73.839%0.39243%0.429SS..Hα-helixtrans-69.6-52.2176.700000112.4P235 E236 E240 S241 V242P235-G238 PolarHBondContact O-N 3.28Å; E236-G238 VanDerWaalsContact C-N 3.29Å; E236-G238 PolarHBondContact O-N 3.28Å; G238-E240 PolarHBondContact O-N 3.43Å; G238-S241 WeakPolarHBondContact O-CB 3.47Å; G238-S241 PolarHBondContact O-N 3.44Å; G238-V242 WeakPolarHBondContact O-CG2 3.5Å; G238-V242 PolarHBondContact O-N 2.98Å
239A82.9Confident71.2Confident11 Ų1169.4 Ų69.49%0.09139%0.392CS..Hα-helixtrans-61.6-42.1-179.200000112.6I213 P235 E236 S241 V242 S243I213-A239 HydrophobicContact CD1-CB 3.82Å; I213-A239 HydrophobicContact CG1-CB 4.34Å; I213-A239 HydrophobicContact CG2-CB 4Å; P235-A239 PolarHBondContact O-N 3.3Å; E236-A239 PolarHBondContact O-N 3.32Å; A239-S241 VanDerWaalsContact C-N 3.35Å; A239-V242 PolarHBondContact O-N 2.72Å; A239-S243 WeakPolarHBondContact O-CB 3.38Å; A239-S243 PolarHBondContact O-N 3.07Å
240E86.6Confident74Confident137 Ų13762 Ų6264%0.6435%0.353SS*.Hα-helixtrans-63.8-40.6175.7-72177.3-179.400111.9E236 G238 S243 R244E236-E240 WeakPolarHBondContact O-CB 3.31Å; E236-E240 VanDerWaalsContact O-CG 3.3Å; E236-E240 WeakPolarHBondContact O-CG 3.26Å; E236-E240 PolarHBondContact O-N 3.46Å; E236-E240 VanDerWaalsContact O-N 3.08Å; G238-E240 PolarHBondContact O-N 3.43Å; E240-S243 PolarHBondContact O-N 3.13Å; E240-R244 WeakPolarHBondContact O-CB 3.33Å; E240-R244 PolarHBondContact O-N 2.98Å
241S89.6Confident76.6Confident28 Ų2857.8 Ų57.820%0.19632%0.319CS..Hα-helixtrans-62.6-44.8176.2-670000111.8S237 G238 A239 R244 W245S237-S241 VanDerWaalsContact O-CB 3.29Å; S237-S241 WeakPolarHBondContact O-CB 3.42Å; S237-S241 PolarHBondContact O-N 2.75Å; S237-S241 VanDerWaalsContact O-N 3.15Å; S237-S241 PolarHBondContact O-OG 3.38Å; G238-S241 WeakPolarHBondContact O-CB 3.47Å; G238-S241 PolarHBondContact O-N 3.44Å; A239-S241 VanDerWaalsContact C-N 3.35Å; S241-R244 WeakPolarHBondContact O-CB 3.2Å; S241-R244 PolarHBondContact O-N 3.19Å; S241-W245 PolarHBondContact O-N 3.37Å
242V92.5Very high79.3Confident8 Ų852.6 Ų52.65%0.04829%0.291CS..Hα-helixtrans-66.8-43.5178.7-178.20000111.3L6 L10 L19 L211 G238 A239 R244 W245 E246L6-V242 HydrophobicContact CD1-CG1 4.36Å; L6-V242 HydrophobicContact CD2-CB 4.49Å; L6-V242 HydrophobicContact CD2-CG1 4.49Å; L10-V242 HydrophobicContact CD1-CG1 3.82Å; L10-V242 HydrophobicContact CD2-CG1 4.11Å; L19-V242 HydrophobicContact CD2-CG1 3.63Å; L211-V242 HydrophobicContact CD2-CG1 4.44Å; L211-V242 HydrophobicContact CD2-CG2 3.83Å; G238-V242 WeakPolarHBondContact O-CG2 3.5Å; G238-V242 PolarHBondContact O-N 2.98Å; A239-V242 PolarHBondContact O-N 2.72Å; V242-R244 VanDerWaalsContact C-N 3.25Å; V242-R244 PolarHBondContact O-N 3.48Å; V242-W245 HydrophobicContact CB-CE3 4.39Å; V242-W245 HydrophobicContact CG2-CE3 3.99Å; V242-W245 HydrophobicContact CG2-CZ3 3.85Å; V242-W245 PolarHBondContact O-N 3.21Å; V242-W245 VanDerWaalsContact O-N 3.14Å; V242-E246 WeakPolarHBondContact O-CB 3.19Å; V242-E246 PolarHBondContact O-N 3.18Å
243S93Very high81.6Confident17 Ų1747 Ų4712%0.11925%0.254CS..Hα-helixtrans-59.8-35.9174.2-177.10000112.6A239 E240 A247 K292A239-S243 WeakPolarHBondContact O-CB 3.38Å; A239-S243 PolarHBondContact O-N 3.07Å; E240-S243 PolarHBondContact O-N 3.13Å; S243-A247 WeakPolarHBondContact O-CB 3.21Å; S243-A247 PolarHBondContact O-N 3.48Å; S243-A247 VanDerWaalsContact O-N 3.12Å; S243-K292 PolarHBondContact O-NZ 3.46Å
244R94.1Very high83.9Confident131 Ų13140 Ų4049%0.49422%0.217SC..Hα-helixtrans-67.8-45.8173.8178.9175.557.2173.1-3.9111.3E240 S241 V242 E246 A247 E248E240-R244 WeakPolarHBondContact O-CB 3.33Å; E240-R244 PolarHBondContact O-N 2.98Å; S241-R244 WeakPolarHBondContact O-CB 3.2Å; S241-R244 PolarHBondContact O-N 3.19Å; V242-R244 VanDerWaalsContact C-N 3.25Å; V242-R244 PolarHBondContact O-N 3.48Å; R244-E246 VanDerWaalsContact C-N 3.32Å; R244-E246 PolarHBondContact O-N 3.22Å; R244-A247 PolarHBondContact O-N 2.92Å; R244-E248 HydrophobicContact CG-CG 4.32Å; R244-E248 VanDerWaalsContact CG-OE1 3.29Å; R244-E248 WeakPolarHBondContact CG-OE1 3.18Å; R244-E248 WeakPolarHBondContact O-CB 3.5Å; R244-E248 WeakPolarHBondContact O-CG 3.4Å; R244-E248 PolarHBondContact O-N 2.91Å
245W95.2Very high86Confident41 Ų4143.2 Ų43.216%0.15522%0.222CC..Hα-helixtrans-60.8-41.9178-60-22.7000112.3L19 R23 M206 L211 S241 V242 E248 L249L19-W245 HydrophobicContact CD1-CB 4.31Å; R23-W245 HydrophobicContact CG-CD2 4.36Å; R23-W245 HydrophobicContact CG-CG 4.28Å; M206-W245 HydrophobicContact CE-CE3 4.02Å; M206-W245 HydrophobicContact CE-CH2 4.4Å; M206-W245 HydrophobicContact CE-CZ3 3.74Å; M206-W245 HydrophobicContact SD-CE3 4.35Å; M206-W245 HydrophobicContact SD-CH2 4.22Å; M206-W245 HydrophobicContact SD-CZ3 4.07Å; L211-W245 HydrophobicContact CD2-CE3 4.37Å; L211-W245 HydrophobicContact CD2-CZ3 3.88Å; S241-W245 PolarHBondContact O-N 3.37Å; V242-W245 HydrophobicContact CB-CE3 4.39Å; V242-W245 HydrophobicContact CG2-CE3 3.99Å; V242-W245 HydrophobicContact CG2-CZ3 3.85Å; V242-W245 PolarHBondContact O-N 3.21Å; V242-W245 VanDerWaalsContact O-N 3.14Å; W245-E248 PolarHBondContact O-N 3.07Å; W245-L249 WeakPolarHBondContact O-CB 3.43Å; W245-L249 PolarHBondContact O-N 3.5Å
246E95.9Very high87.7Confident0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-59.5-49.5176.2-177.9-176-116.100110.9L6 R9 Y15 L19 V242 R244 E248 L249 L250 L289L6-E246 WeakPolarHBondContact CD1-OE1 3.35Å; R9-E246 IonicContact CZ-OE1 3.8Å; R9-E246 IonicContact CZ-OE2 2.74Å; R9-E246 IonicContact NE-OE1 3.89Å; R9-E246 PolarHBondContact NE-OE1 3.34Å; R9-E246 IonicContact NE-OE2 3.36Å; R9-E246 IonicContact NH2-OE1 2.96Å; R9-E246 PolarHBondContact NH2-OE1 3.48Å; R9-E246 IonicContact NH2-OE2 3.31Å; R9-E246 PolarHBondContact NH2-OE2 2.82Å; Y15-E246 WeakPolarHBondContact OH-CG 3.36Å; Y15-E246 PolarHBondContact OH-OE1 2.83Å; L19-E246 HydrophobicContact CD1-CB 4.09Å; L19-E246 HydrophobicContact CD2-CB 4.43Å; V242-E246 WeakPolarHBondContact O-CB 3.19Å; V242-E246 PolarHBondContact O-N 3.18Å; R244-E246 VanDerWaalsContact C-N 3.32Å; R244-E246 PolarHBondContact O-N 3.22Å; E246-E248 PolarHBondContact O-N 3.47Å; E246-L249 PolarHBondContact O-N 3.34Å; E246-L250 HydrophobicContact CG-CD1 3.9Å; E246-L250 WeakPolarHBondContact O-CB 3.39Å; E246-L250 VanDerWaalsContact O-CG 3.29Å; E246-L250 WeakPolarHBondContact O-CG 3.47Å; E246-L250 PolarHBondContact O-N 3.4Å; E246-L289 HydrophobicContact CG-CD2 4.47Å
247A95.6Very high89.3Confident9 Ų937.5 Ų37.57%0.07419%0.191CC..Hα-helixtrans-66.5-38.7178.500000113.3S243 R244 L249 L250 Q251 K292 F293S243-A247 WeakPolarHBondContact O-CB 3.21Å; S243-A247 PolarHBondContact O-N 3.48Å; S243-A247 VanDerWaalsContact O-N 3.12Å; R244-A247 PolarHBondContact O-N 2.92Å; A247-L249 VanDerWaalsContact C-N 3.29Å; A247-L249 PolarHBondContact O-N 2.84Å; A247-L250 PolarHBondContact O-N 2.92Å; A247-Q251 WeakPolarHBondContact O-CB 3.48Å; A247-Q251 PolarHBondContact O-N 2.8Å; A247-K292 HydrophobicContact CB-CD 3.81Å; A247-F293 HydrophobicContact CB-CE2 4.14Å; A247-F293 HydrophobicContact CB-CZ 4.13Å; A247-F293 WeakPolarHBondContact O-CZ 3.31Å
248E95.6Very high90.3Very high71 Ų7136.9 Ų36.933%0.33218%0.182SC..Hα-helixtrans-61.1-40.8175.9-75.7172.2-174.300111.5R23 L26 R244 W245 E246 E252R23-E248 IonicContact CZ-OE2 2.86Å; R23-E248 IonicContact NH1-OE2 2.79Å; R23-E248 PolarHBondContact NH1-OE2 2.93Å; L26-E248 HydrophobicContact CD1-CB 3.9Å; R244-E248 HydrophobicContact CG-CG 4.32Å; R244-E248 VanDerWaalsContact CG-OE1 3.29Å; R244-E248 WeakPolarHBondContact CG-OE1 3.18Å; R244-E248 WeakPolarHBondContact O-CB 3.5Å; R244-E248 WeakPolarHBondContact O-CG 3.4Å; R244-E248 PolarHBondContact O-N 2.91Å; W245-E248 PolarHBondContact O-N 3.07Å; E246-E248 PolarHBondContact O-N 3.47Å; E248-E252 PolarHBondContact O-N 2.9Å; E248-E252 VanDerWaalsContact O-N 3.11Å
249L95.9Very high90.1Very high1 Ų137.7 Ų37.71%0.00517%0.173CC..Hα-helixtrans-69-47.3177.9-179.457000112.3W18 L19 M164 W245 E246 A247 Q251 E252 M253W18-L249 HydrophobicContact CD2-CD2 4.2Å; W18-L249 HydrophobicContact CE3-CD2 4.02Å; W18-L249 HydrophobicContact CH2-CB 4.42Å; W18-L249 HydrophobicContact CH2-CD2 3.32Å; W18-L249 HydrophobicContact CH2-CG 3.65Å; W18-L249 HydrophobicContact CZ2-CD2 3.49Å; W18-L249 VanDerWaalsContact CZ2-CD2 3.49Å; W18-L249 HydrophobicContact CZ2-CG 3.76Å; W18-L249 HydrophobicContact CZ3-CD2 3.61Å; W18-L249 HydrophobicContact CZ3-CG 4.38Å; L19-L249 HydrophobicContact CD1-CD2 4.16Å; M164-L249 HydrophobicContact SD-CD1 4.2Å; W245-L249 WeakPolarHBondContact O-CB 3.43Å; W245-L249 PolarHBondContact O-N 3.5Å; E246-L249 PolarHBondContact O-N 3.34Å; A247-L249 VanDerWaalsContact C-N 3.29Å; A247-L249 PolarHBondContact O-N 2.84Å; L249-Q251 VanDerWaalsContact C-N 3.29Å; L249-Q251 PolarHBondContact O-N 3.35Å; L249-E252 WeakPolarHBondContact O-CB 3.45Å; L249-E252 PolarHBondContact O-N 2.98Å; L249-E252 VanDerWaalsContact O-N 3.12Å; L249-M253 PolarHBondContact O-N 3.24Å
250L95.6Very high89.2Confident1 Ų137.6 Ų37.61%0.00517%0.173CC..Hα-helixtrans-62.2-38.3177.1-69.4167.7000111.7W18 F169 E246 A247 E252 M253 L254 L279 F282 L283 L289 F293W18-L250 HydrophobicContact CH2-CD2 3.92Å; W18-L250 HydrophobicContact CH2-CG 4.3Å; F169-L250 HydrophobicContact CD1-CD2 4.33Å; F169-L250 HydrophobicContact CE1-CD2 4.26Å; E246-L250 HydrophobicContact CG-CD1 3.9Å; E246-L250 WeakPolarHBondContact O-CB 3.39Å; E246-L250 VanDerWaalsContact O-CG 3.29Å; E246-L250 WeakPolarHBondContact O-CG 3.47Å; E246-L250 PolarHBondContact O-N 3.4Å; A247-L250 PolarHBondContact O-N 2.92Å; L250-E252 VanDerWaalsContact C-N 3.3Å; L250-E252 PolarHBondContact O-N 2.82Å; L250-M253 HydrophobicContact CD2-SD 4.45Å; L250-M253 PolarHBondContact O-N 2.93Å; L250-L254 WeakPolarHBondContact O-CB 3.39Å; L250-L254 PolarHBondContact O-N 3.31Å; L250-L279 HydrophobicContact CD2-CD1 3.7Å; L250-F282 HydrophobicContact CD1-CE1 4.24Å; L250-F282 HydrophobicContact CD2-CD1 4.14Å; L250-F282 HydrophobicContact CD2-CE1 4.04Å; L250-L283 HydrophobicContact CD1-CD2 4.06Å; L250-L289 HydrophobicContact CD1-CD1 3.68Å; L250-L289 HydrophobicContact CD1-CD2 3.78Å; L250-L289 HydrophobicContact CD1-CG 4.35Å; L250-F293 HydrophobicContact CB-CE2 4.26Å; L250-F293 HydrophobicContact CB-CZ 3.85Å; L250-F293 HydrophobicContact CD1-CE2 4.36Å
251Q93.9Very high87.6Confident38 Ų3833.6 Ų33.618%0.17817%0.169CC..Hα-helixtrans-62.2-39.4174.3-176.868.561.200111.8A247 L249 L254 R255 F293A247-Q251 WeakPolarHBondContact O-CB 3.48Å; A247-Q251 PolarHBondContact O-N 2.8Å; L249-Q251 VanDerWaalsContact C-N 3.29Å; L249-Q251 PolarHBondContact O-N 3.35Å; Q251-L254 PolarHBondContact O-N 3.32Å; Q251-R255 VanDerWaalsContact CG-CZ 3.49Å; Q251-R255 VanDerWaalsContact O-CG 3.31Å; Q251-R255 WeakPolarHBondContact O-CG 3.42Å; Q251-R255 PolarHBondContact O-N 3.44Å; Q251-F293 HydrophobicContact CB-CE1 4.03Å; Q251-F293 HydrophobicContact CB-CZ 4.32Å
252E92.1Very high85.9Confident16 Ų1637.8 Ų37.88%0.07519%0.189CC..Hα-helixtrans-66.5-44.6177.3-165.270.4173.300111.3L26 D131 M164 E248 L249 L250 L254 R255 E256L26-E252 HydrophobicContact CD2-CB 4.44Å; L26-E252 HydrophobicContact CD2-CG 4.26Å; D131-E252 WeakPolarHBondContact CA-OE1 2.99Å; D131-E252 WeakPolarHBondContact CB-OE1 3.39Å; M164-E252 HydrophobicContact CE-CB 4.41Å; M164-E252 HydrophobicContact CE-CG 4.24Å; E248-E252 PolarHBondContact O-N 2.9Å; E248-E252 VanDerWaalsContact O-N 3.11Å; L249-E252 WeakPolarHBondContact O-CB 3.45Å; L249-E252 PolarHBondContact O-N 2.98Å; L249-E252 VanDerWaalsContact O-N 3.12Å; L250-E252 VanDerWaalsContact C-N 3.3Å; L250-E252 PolarHBondContact O-N 2.82Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.02Å; E252-R255 PolarHBondContact O-N 3.4Å; E252-R255 IonicContact OE2-NH1 2.83Å; E252-R255 PolarHBondContact OE2-NH1 3.5Å; E252-E256 PolarHBondContact O-N 2.87Å
253M91.9Very high84.2Confident3 Ų339.8 Ų39.82%0.01520%0.198CC..Hα-helixtrans-59-44.1174.1-66.4-179.988.700112.1W18 M164 F169 L249 L250 R255 E256 C257 L279W18-M253 HydrophobicContact CH2-SD 4.22Å; W18-M253 HydrophobicContact CZ2-CE 4.42Å; W18-M253 HydrophobicContact CZ2-SD 3.5Å; W18-M253 WeakPolarHBondContact CZ2-SD 3.25Å; M164-M253 HydrophobicContact CE-CB 4.05Å; M164-M253 HydrophobicContact CE-CG 3.39Å; M164-M253 WeakPolarHBondContact O-CE 3.42Å; M164-M253 HydrophobicContact SD-CG 3.98Å; F169-M253 HydrophobicContact CD1-CE 4.03Å; F169-M253 HydrophobicContact CD1-SD 4.01Å; F169-M253 HydrophobicContact CE1-CE 3.61Å; F169-M253 HydrophobicContact CE1-SD 3.76Å; L249-M253 PolarHBondContact O-N 3.24Å; L250-M253 HydrophobicContact CD2-SD 4.45Å; L250-M253 PolarHBondContact O-N 2.93Å; M253-R255 VanDerWaalsContact C-N 3.34Å; M253-R255 PolarHBondContact O-N 3.21Å; M253-E256 PolarHBondContact O-N 3.48Å; M253-C257 PolarHBondContact O-N 3.14Å; M253-C257 PolarHBondContact O-SG 2.84Å; M253-L279 HydrophobicContact CB-CD2 4.16Å
254L90.2Very high82.2Confident2 Ų247.8 Ų47.81%0.0123%0.233CC..Hα-helixtrans-60.9-45.4178.917862.6000111.3L250 Q251 E252 E256 C257 L258 L276 L279 E296 I300L250-L254 WeakPolarHBondContact O-CB 3.39Å; L250-L254 PolarHBondContact O-N 3.31Å; Q251-L254 PolarHBondContact O-N 3.32Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.02Å; L254-E256 VanDerWaalsContact C-N 3.29Å; L254-E256 PolarHBondContact O-N 3Å; L254-C257 PolarHBondContact O-N 3.41Å; L254-L258 HydrophobicContact CD1-CD1 3.99Å; L254-L258 HydrophobicContact CD1-CG 4.1Å; L254-L258 HydrophobicContact CD2-CD1 4.49Å; L254-L258 HydrophobicContact CG-CD1 3.91Å; L254-L258 HydrophobicContact CG-CG 4.4Å; L254-L258 WeakPolarHBondContact O-CB 3.29Å; L254-L258 VanDerWaalsContact O-CG 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.42Å; L254-L258 PolarHBondContact O-N 3.2Å; L254-L276 HydrophobicContact CD1-CD1 3.63Å; L254-L279 HydrophobicContact CB-CD2 3.72Å; L254-L279 HydrophobicContact CD1-CD2 4.07Å; L254-E296 HydrophobicContact CD2-CB 3.59Å; L254-E296 HydrophobicContact CD2-CG 3.57Å; L254-I300 HydrophobicContact CD1-CD1 3.78Å
255R87.4Confident80.4Confident113 Ų11345.5 Ų45.543%0.42623%0.231SC..Hα-helixtrans-61.1-39.8177.6-74173.4-171.51480.9111.7Q251 E252 M253 L258 R259Q251-R255 VanDerWaalsContact CG-CZ 3.49Å; Q251-R255 VanDerWaalsContact O-CG 3.31Å; Q251-R255 WeakPolarHBondContact O-CG 3.42Å; Q251-R255 PolarHBondContact O-N 3.44Å; E252-R255 PolarHBondContact O-N 3.4Å; E252-R255 IonicContact OE2-NH1 2.83Å; E252-R255 PolarHBondContact OE2-NH1 3.5Å; M253-R255 VanDerWaalsContact C-N 3.34Å; M253-R255 PolarHBondContact O-N 3.21Å; R255-L258 PolarHBondContact O-N 3.1Å; R255-R259 WeakPolarHBondContact O-CB 3.5Å; R255-R259 WeakPolarHBondContact O-CG 3.25Å; R255-R259 PolarHBondContact O-N 3Å
256E85.8Confident78.6Confident37 Ų3749 Ų4917%0.17325%0.249CC..Hα-helixtrans-62.7-47.2176.9-175.3163.3-163.400111.5R160 M164 E252 M253 L254 L258 R259 A260R160-E256 IonicContact CZ-OE1 3.17Å; R160-E256 IonicContact CZ-OE2 2.95Å; R160-E256 IonicContact NH1-OE1 2.73Å; R160-E256 PolarHBondContact NH1-OE1 2.93Å; R160-E256 IonicContact NH1-OE2 3.72Å; R160-E256 PolarHBondContact NH1-OE2 3.09Å; R160-E256 IonicContact NH2-OE1 3.37Å; R160-E256 PolarHBondContact NH2-OE1 3.31Å; M164-E256 WeakPolarHBondContact CE-OE2 3.28Å; E252-E256 PolarHBondContact O-N 2.87Å; M253-E256 PolarHBondContact O-N 3.48Å; L254-E256 VanDerWaalsContact C-N 3.29Å; L254-E256 PolarHBondContact O-N 3Å; E256-L258 PolarHBondContact O-N 3.19Å; E256-R259 PolarHBondContact O-N 3.24Å; E256-A260 PolarHBondContact O-N 2.95Å
257C83.9Confident76.7Confident12 Ų1255.5 Ų55.58%0.08128%0.283CS..Hα-helixtrans-60.5-44.6177-60.10000111.9M253 L254 R259 A260 G261 L276M253-C257 PolarHBondContact O-N 3.14Å; M253-C257 PolarHBondContact O-SG 2.84Å; L254-C257 PolarHBondContact O-N 3.41Å; C257-R259 VanDerWaalsContact C-N 3.34Å; C257-R259 PolarHBondContact O-N 3.45Å; C257-A260 PolarHBondContact O-N 3.02Å; C257-G261 PolarHBondContact O-N 3.42Å; C257-L276 HydrophobicContact CB-CB 4.15Å; C257-L276 HydrophobicContact CB-CD1 3.98Å
258L79.8Confident75Confident61 Ų6155.5 Ų55.532%0.31928%0.283SS..Hα-helixtrans-69.9-27.9-179.8-68.5174.9000113.7L254 R255 E256 A260 N262 L276 I300 L303L254-L258 HydrophobicContact CD1-CD1 3.99Å; L254-L258 HydrophobicContact CD1-CG 4.1Å; L254-L258 HydrophobicContact CD2-CD1 4.49Å; L254-L258 HydrophobicContact CG-CD1 3.91Å; L254-L258 HydrophobicContact CG-CG 4.4Å; L254-L258 WeakPolarHBondContact O-CB 3.29Å; L254-L258 VanDerWaalsContact O-CG 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.42Å; L254-L258 PolarHBondContact O-N 3.2Å; R255-L258 PolarHBondContact O-N 3.1Å; E256-L258 PolarHBondContact O-N 3.19Å; L258-A260 VanDerWaalsContact C-N 3.3Å; L258-N262 PolarHBondContact O-ND2 3.08Å; L258-L276 HydrophobicContact CD2-CD1 4.39Å; L258-L276 HydrophobicContact CD2-CD2 4.28Å; L258-I300 HydrophobicContact CD2-CG1 4.43Å; L258-L303 HydrophobicContact CD2-CD1 4.42Å
259R75.3Confident73.6Confident54 Ų5454.7 Ų54.720%0.20428%0.279CS..Hα-helixtrans-65-38.3174.2-80168.5-179.6172.7-1110.7E129 D131 R255 E256 C257E129-R259 PolarHBondContact O-NH2 2.96Å; D131-R259 IonicContact OD2-CZ 2.62Å; D131-R259 IonicContact OD2-NH1 3.73Å; D131-R259 PolarHBondContact OD2-NH1 3.32Å; R255-R259 WeakPolarHBondContact O-CB 3.5Å; R255-R259 WeakPolarHBondContact O-CG 3.25Å; R255-R259 PolarHBondContact O-N 3Å; E256-R259 PolarHBondContact O-N 3.24Å; C257-R259 VanDerWaalsContact C-N 3.34Å; C257-R259 PolarHBondContact O-N 3.45Å
260A62.8Low72.1Confident9 Ų958.4 Ų58.47%0.07430%0.302CS..Hα-helixtrans-76.6-31.1-178.600000114.8E256 C257 L258 N262 E263 D272E256-A260 PolarHBondContact O-N 2.95Å; C257-A260 PolarHBondContact O-N 3.02Å; L258-A260 VanDerWaalsContact C-N 3.3Å; A260-N262 PolarHBondContact O-N 3.48Å; A260-N262 VanDerWaalsContact O-N 3.13Å; A260-E263 WeakPolarHBondContact O-CG 3.45Å; A260-D272 HydrophobicContact CB-CB 3.6Å; A260-D272 WeakPolarHBondContact CB-OD2 3.45Å
261G54.3Low70.7Confident54 Ų5462.2 Ų62.256%0.55732%0.319SS*.THydrogen-bonded Turntrans-68.4-7.4-177.400000116.5C257C257-G261 PolarHBondContact O-N 3.42Å
262N53Low69.8Low116 Ų11661.2 Ų61.262%0.6232%0.315SS*.THydrogen-bonded Turntrans-92.716.8-178.1-77.4-71.6000114L258 A260L258-N262 PolarHBondContact O-ND2 3.08Å; A260-N262 PolarHBondContact O-N 3.48Å; A260-N262 VanDerWaalsContact O-N 3.13Å
263E56.8Low69.1Low50 Ų5062.9 Ų62.923%0.23433%0.332CS..SBendtrans-107.3-178.1-162.7-62.3-170170.300114.2R119 A260 K269R119-E263 WeakPolarHBondContact CD-OE2 3.21Å; R119-E263 WeakPolarHBondContact CG-OE1 3.44Å; R119-E263 IonicContact NE-OE2 3.54Å; R119-E263 PolarHBondContact NE-OE2 2.97Å; A260-E263 WeakPolarHBondContact O-CG 3.45Å; E263-K269 WeakPolarHBondContact O-CE 3.48Å; E263-K269 PolarHBondContact O-NZ 3.16Å
264E51Low68.8Low184 Ų18467.7 Ų67.786%0.8635%0.354SS*.SBendtrans-109.3-4.5178.7-71.1177.2176.900112.3
265D56.6Low68.5Low83 Ų8367.7 Ų67.744%0.44435%0.354SS..  trans-91.4107.1-177-174.2-6.2000111.4D267 A268 K269D265-D267 PolarHBondContact O-N 2.96Å; D265-A268 HydrophobicContact CB-CB 4.1Å; D265-A268 PolarHBondContact O-N 3.06Å; D265-K269 WeakPolarHBondContact O-CG 3.32Å; D265-K269 PolarHBondContact O-N 3.25Å
266E57.2Low68.6Low116 Ų11663.5 Ų63.554%0.54234%0.34SS..Hα-helixtrans-63.4-37.9-171.5-66-58135.700114.3K269 T270E266-K269 PolarHBondContact O-N 2.97Å; E266-K269 IonicContact OE1-NZ 3.18Å; E266-K269 PolarHBondContact OE1-NZ 3.43Å; E266-T270 WeakPolarHBondContact O-CG2 3.25Å; E266-T270 PolarHBondContact O-N 3.38Å; E266-T270 PolarHBondContact O-OG1 3.16Å
267D55.9Low68.8Low135 Ų13565.7 Ų65.772%0.72235%0.35SS*.Hα-helixtrans-74.6-33.8-177.7-72.2-16.5000111.6D265 T270D265-D267 PolarHBondContact O-N 2.96Å; D267-T270 PolarHBondContact O-OG1 3.17Å
268A60.3Low69Low9 Ų969.9 Ų69.97%0.07436%0.364CS..Hα-helixtrans-69-43.6173.500000111.9R119 D265 T270 D272R119-A268 VanDerWaalsContact CZ-CB 3.47Å; D265-A268 HydrophobicContact CB-CB 4.1Å; D265-A268 PolarHBondContact O-N 3.06Å; A268-T270 VanDerWaalsContact C-N 3.33Å; A268-T270 PolarHBondContact O-N 3.21Å; A268-D272 WeakPolarHBondContact O-CB 3.5Å; A268-D272 VanDerWaalsContact O-CG 3.25Å; A268-D272 PolarHBondContact O-N 3.04Å; A268-D272 VanDerWaalsContact O-OD2 3.14Å
269K65.3Low69.6Low54 Ų5467 Ų6724%0.23535%0.349CS..Hα-helixtrans-58.8-42.6177.9-75.2170.4-171.4178.90112.8E263 D265 E266 D272 A273E263-K269 WeakPolarHBondContact O-CE 3.48Å; E263-K269 PolarHBondContact O-NZ 3.16Å; D265-K269 WeakPolarHBondContact O-CG 3.32Å; D265-K269 PolarHBondContact O-N 3.25Å; E266-K269 PolarHBondContact O-N 2.97Å; E266-K269 IonicContact OE1-NZ 3.18Å; E266-K269 PolarHBondContact OE1-NZ 3.43Å; K269-D272 PolarHBondContact O-N 3.01Å; K269-A273 WeakPolarHBondContact O-CB 3.38Å; K269-A273 PolarHBondContact O-N 3.27Å
270T64.3Low70.4Confident80 Ų8066.7 Ų66.749%0.49135%0.348SS..Hα-helixtrans-66.6-47.3-17546.90000111.9E266 D267 A268 D272 A273 E274E266-T270 WeakPolarHBondContact O-CG2 3.25Å; E266-T270 PolarHBondContact O-N 3.38Å; E266-T270 PolarHBondContact O-OG1 3.16Å; D267-T270 PolarHBondContact O-OG1 3.17Å; A268-T270 VanDerWaalsContact C-N 3.33Å; A268-T270 PolarHBondContact O-N 3.21Å; T270-D272 VanDerWaalsContact C-N 3.34Å; T270-D272 PolarHBondContact O-N 3.49Å; T270-A273 PolarHBondContact O-N 3.36Å; T270-E274 PolarHBondContact O-N 3.18Å
271H66.7Low71.9Confident81 Ų8168 Ų6838%0.37536%0.362SS..Hα-helixtrans-60.4-43.5175.5177.3-85.2000112.1H165 E274 Q275H165-H271 AromaticContact CE1-CE1 3.96Å; H165-H271 AromaticContact ND1-CE1 3.76Å; H271-E274 PolarHBondContact O-N 2.79Å; H271-Q275 PolarHBondContact O-N 2.95Å; H271-Q275 VanDerWaalsContact O-N 3.1Å
272D74.3Confident73.8Confident17 Ų1767.1 Ų67.19%0.09134%0.343CS..Hα-helixtrans-76.1-26.7-175.1-62.1-24.6000111.7R119 A260 A268 K269 T270 L276R119-D272 IonicContact NH2-OD2 3.69Å; R119-D272 PolarHBondContact NH2-OD2 3.38Å; A260-D272 HydrophobicContact CB-CB 3.6Å; A260-D272 WeakPolarHBondContact CB-OD2 3.45Å; A268-D272 WeakPolarHBondContact O-CB 3.5Å; A268-D272 VanDerWaalsContact O-CG 3.25Å; A268-D272 PolarHBondContact O-N 3.04Å; A268-D272 VanDerWaalsContact O-OD2 3.14Å; K269-D272 PolarHBondContact O-N 3.01Å; T270-D272 VanDerWaalsContact C-N 3.34Å; T270-D272 PolarHBondContact O-N 3.49Å; D272-L276 WeakPolarHBondContact O-CB 3.35Å; D272-L276 PolarHBondContact O-N 3.06Å
273A79.1Confident75.7Confident51 Ų5161.7 Ų61.742%0.42131%0.314SS..Hα-helixtrans-69.1-42.2168.700000112.5K269 T270 Q275 L276 E277K269-A273 WeakPolarHBondContact O-CB 3.38Å; K269-A273 PolarHBondContact O-N 3.27Å; T270-A273 PolarHBondContact O-N 3.36Å; A273-Q275 VanDerWaalsContact C-N 3.29Å; A273-Q275 PolarHBondContact O-N 3.13Å; A273-L276 PolarHBondContact O-N 2.79Å; A273-E277 PolarHBondContact O-N 3.28Å
274E83.9Confident77.4Confident103 Ų10363.9 Ų63.948%0.48132%0.324SS..Hα-helixtrans-60-41.3173.7-74.7-173.9-169.400111.8T270 H271 E277 R278T270-E274 PolarHBondContact O-N 3.18Å; H271-E274 PolarHBondContact O-N 2.79Å; E274-E277 PolarHBondContact O-N 3.13Å; E274-R278 VanDerWaalsContact O-CG 3.3Å; E274-R278 WeakPolarHBondContact O-CG 3.43Å; E274-R278 PolarHBondContact O-N 3.1Å; E274-R278 IonicContact OE2-CZ 3.97Å; E274-R278 IonicContact OE2-NH2 2.72Å; E274-R278 PolarHBondContact OE2-NH2 3.03Å
275Q85.7Confident79.4Confident3 Ų359 Ų591%0.01432%0.315CS..Hα-helixtrans-67.9-38.8178.3-172.561.412.100111.7M164 H271 A273 R278 L279M164-Q275 PolarHBondContact O-NE2 3.05Å; H271-Q275 PolarHBondContact O-N 2.95Å; H271-Q275 VanDerWaalsContact O-N 3.1Å; A273-Q275 VanDerWaalsContact C-N 3.29Å; A273-Q275 PolarHBondContact O-N 3.13Å; Q275-R278 PolarHBondContact O-N 3.32Å; Q275-L279 WeakPolarHBondContact O-CB 3.4Å; Q275-L279 PolarHBondContact O-N 3.5Å
276L88.8Confident81.2Confident25 Ų2556.1 Ų56.113%0.13130%0.3CS..Hα-helixtrans-61-44.8174.2-174.961.4000111.5L254 C257 L258 D272 A273 R278 L279 R280 I300L254-L276 HydrophobicContact CD1-CD1 3.63Å; C257-L276 HydrophobicContact CB-CB 4.15Å; C257-L276 HydrophobicContact CB-CD1 3.98Å; L258-L276 HydrophobicContact CD2-CD1 4.39Å; L258-L276 HydrophobicContact CD2-CD2 4.28Å; D272-L276 WeakPolarHBondContact O-CB 3.35Å; D272-L276 PolarHBondContact O-N 3.06Å; A273-L276 PolarHBondContact O-N 2.79Å; L276-R278 PolarHBondContact O-N 2.79Å; L276-L279 PolarHBondContact O-N 3.05Å; L276-R280 WeakPolarHBondContact O-CB 3.49Å; L276-R280 PolarHBondContact O-N 3.14Å; L276-I300 HydrophobicContact CD1-CD1 3.94Å; L276-I300 HydrophobicContact CD1-CG1 4.36Å; L276-I300 HydrophobicContact CD2-CG2 4.22Å; L276-I300 HydrophobicContact CG-CG2 4.49Å
277E89.3Confident82.8Confident82 Ų8255.2 Ų55.238%0.38329%0.294SS..Hα-helixtrans-63.5-40.4177.9-82.5-58.697.500112.6A273 E274 R280 G281A273-E277 PolarHBondContact O-N 3.28Å; E274-E277 PolarHBondContact O-N 3.13Å; E277-R280 PolarHBondContact O-N 2.99Å; E277-R280 IonicContact OE2-NH1 3.86Å; E277-G281 PolarHBondContact O-N 2.75Å
278R89.8Confident84.6Confident100 Ų10049.4 Ų49.438%0.37726%0.263SS..Hα-helixtrans-64-43.9175-70.6171.6-169.5150.412.3111.9E274 Q275 L276 G281 F282E274-R278 VanDerWaalsContact O-CG 3.3Å; E274-R278 WeakPolarHBondContact O-CG 3.43Å; E274-R278 PolarHBondContact O-N 3.1Å; E274-R278 IonicContact OE2-CZ 3.97Å; E274-R278 IonicContact OE2-NH2 2.72Å; E274-R278 PolarHBondContact OE2-NH2 3.03Å; Q275-R278 PolarHBondContact O-N 3.32Å; L276-R278 PolarHBondContact O-N 2.79Å; R278-G281 PolarHBondContact O-N 3.02Å; R278-F282 WeakPolarHBondContact O-CB 3.35Å; R278-F282 PolarHBondContact O-N 3.39Å
279L92.2Very high86.3Confident1 Ų149 Ų491%0.00526%0.26CS..Hα-helixtrans-63.1-44.1176-178.561.9000111.3F169 L250 M253 L254 Q275 L276 G281 F282 L283F169-L279 HydrophobicContact CE1-CD1 3.81Å; F169-L279 HydrophobicContact CZ-CB 4.41Å; F169-L279 HydrophobicContact CZ-CD1 3.93Å; L250-L279 HydrophobicContact CD2-CD1 3.7Å; M253-L279 HydrophobicContact CB-CD2 4.16Å; L254-L279 HydrophobicContact CB-CD2 3.72Å; L254-L279 HydrophobicContact CD1-CD2 4.07Å; Q275-L279 WeakPolarHBondContact O-CB 3.4Å; Q275-L279 PolarHBondContact O-N 3.5Å; L276-L279 PolarHBondContact O-N 3.05Å; L279-G281 PolarHBondContact O-N 3.28Å; L279-F282 PolarHBondContact O-N 3.32Å; L279-L283 HydrophobicContact CD1-CG 4.38Å; L279-L283 HydrophobicContact CG-CD1 4.24Å; L279-L283 VanDerWaalsContact O-CG 3.28Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.29Å
280R91.9Very high87.6Confident48 Ų4847.2 Ų47.218%0.18126%0.256CS..Hα-helixtrans-57.7-49.5174.6178.8171.7179.6-95.9-0.3111.3L276 E277 F282 L283 Q284 L297 D301L276-R280 WeakPolarHBondContact O-CB 3.49Å; L276-R280 PolarHBondContact O-N 3.14Å; E277-R280 PolarHBondContact O-N 2.99Å; E277-R280 IonicContact OE2-NH1 3.86Å; R280-F282 VanDerWaalsContact C-N 3.33Å; R280-F282 PolarHBondContact O-N 2.87Å; R280-L283 PolarHBondContact O-N 3Å; R280-Q284 WeakPolarHBondContact O-CB 2.67Å; R280-Q284 WeakPolarHBondContact O-CG 3.5Å; R280-Q284 PolarHBondContact O-N 3.04Å; R280-L297 HydrophobicContact CB-CD2 4.42Å; R280-L297 HydrophobicContact CG-CD2 3.85Å; R280-D301 IonicContact CZ-OD1 2.8Å; R280-D301 VanDerWaalsContact CZ-OD1 3.23Å; R280-D301 IonicContact NE-OD1 2.83Å; R280-D301 PolarHBondContact NE-OD1 3.15Å; R280-D301 IonicContact NH2-OD1 3.53Å; R280-D301 PolarHBondContact NH2-OD1 2.86Å; R280-D301 IonicContact NH2-OD2 2.77Å
281G92.8Very high89Confident35 Ų3548.7 Ų48.736%0.36126%0.258SS..Hα-helixtrans-59.5-41.7176.400000112.7E277 R278 L279 Q284 A285E277-G281 PolarHBondContact O-N 2.75Å; R278-G281 PolarHBondContact O-N 3.02Å; L279-G281 PolarHBondContact O-N 3.28Å; G281-Q284 PolarHBondContact O-N 3.39Å; G281-A285 VanDerWaalsContact O-CB 3.28Å; G281-A285 WeakPolarHBondContact O-CB 3.5Å; G281-A285 PolarHBondContact O-N 2.86Å
282F94.1Very high90.3Very high36 Ų3649.5 Ų49.516%0.15826%0.26CS..Hα-helixtrans-63.3-45.3176-178.9-96.2000112.4Y15 F169 L250 R278 L279 R280 A285 N286 L289Y15-F282 HydrophobicContact CE2-CE2 4.32Å; Y15-F282 AromaticContact CE2-CZ 3.78Å; Y15-F282 HydrophobicContact CE2-CZ 3.78Å; F169-F282 HydrophobicContact CB-CE2 4.45Å; F169-F282 HydrophobicContact CD2-CB 4.13Å; F169-F282 HydrophobicContact CD2-CD1 4.29Å; F169-F282 AromaticContact CD2-CD2 3.43Å; F169-F282 HydrophobicContact CD2-CD2 3.43Å; F169-F282 VanDerWaalsContact CD2-CD2 3.43Å; F169-F282 AromaticContact CD2-CE2 3.85Å; F169-F282 HydrophobicContact CD2-CE2 3.85Å; F169-F282 AromaticContact CD2-CG 3.68Å; F169-F282 HydrophobicContact CD2-CG 3.68Å; F169-F282 HydrophobicContact CD2-CZ 4.44Å; F169-F282 HydrophobicContact CE2-CB 3.45Å; F169-F282 VanDerWaalsContact CE2-CB 3.45Å; F169-F282 HydrophobicContact CE2-CD1 4.22Å; F169-F282 AromaticContact CE2-CD2 3.7Å; F169-F282 HydrophobicContact CE2-CD2 3.7Å; F169-F282 AromaticContact CE2-CG 3.52Å; F169-F282 HydrophobicContact CE2-CG 3.52Å; F169-F282 HydrophobicContact CG-CD2 4.23Å; F169-F282 HydrophobicContact CG-CE2 4.28Å; F169-F282 HydrophobicContact CG-CG 4.4Å; F169-F282 HydrophobicContact CG-CZ 4.49Å; F169-F282 HydrophobicContact CZ-CB 3.91Å; F169-F282 HydrophobicContact CZ-CD1 4.42Å; F169-F282 HydrophobicContact CZ-CG 4.09Å; L250-F282 HydrophobicContact CD1-CE1 4.24Å; L250-F282 HydrophobicContact CD2-CD1 4.14Å; L250-F282 HydrophobicContact CD2-CE1 4.04Å; R278-F282 WeakPolarHBondContact O-CB 3.35Å; R278-F282 PolarHBondContact O-N 3.39Å; L279-F282 PolarHBondContact O-N 3.32Å; R280-F282 VanDerWaalsContact C-N 3.33Å; R280-F282 PolarHBondContact O-N 2.87Å; F282-A285 PolarHBondContact O-N 2.78Å; F282-N286 PolarHBondContact O-N 3.02Å; F282-N286 PolarHBondContact O-ND2 3.18Å; F282-L289 HydrophobicContact CD1-CD1 4.28Å; F282-L289 HydrophobicContact CE1-CD1 3.6Å; F282-L289 HydrophobicContact CZ-CD1 4.35Å
283L94.3Very high91.3Very high2 Ų249 Ų491%0.0126%0.257CS..Hα-helixtrans-64.4-39.3177.3-66.9174.3000111.8L250 L279 R280 L289 G290 F293 L297L250-L283 HydrophobicContact CD1-CD2 4.06Å; L279-L283 HydrophobicContact CD1-CG 4.38Å; L279-L283 HydrophobicContact CG-CD1 4.24Å; L279-L283 VanDerWaalsContact O-CG 3.28Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.29Å; R280-L283 PolarHBondContact O-N 3Å; L283-L289 HydrophobicContact CD2-CB 3.89Å; L283-L289 HydrophobicContact CD2-CD1 4.39Å; L283-G290 VanDerWaalsContact O-CA 3.3Å; L283-G290 WeakPolarHBondContact O-CA 3.36Å; L283-G290 PolarHBondContact O-N 3.36Å; L283-G290 VanDerWaalsContact O-N 3.1Å; L283-F293 HydrophobicContact CD1-CB 4.05Å; L283-F293 HydrophobicContact CD1-CD1 4.5Å; L283-F293 HydrophobicContact CD1-CG 4.15Å; L283-F293 HydrophobicContact CD2-CB 4.45Å; L283-F293 HydrophobicContact CD2-CD2 3.68Å; L283-F293 HydrophobicContact CD2-CE2 4.08Å; L283-F293 HydrophobicContact CD2-CG 4.09Å; L283-L297 HydrophobicContact CB-CD1 4.38Å; L283-L297 HydrophobicContact CB-CD2 4.27Å; L283-L297 HydrophobicContact CD1-CD2 4.24Å
284Q92.8Very high91.9Very high96 Ų9649.1 Ų49.145%0.44926%0.255SS..Hα-helixtrans-72.3-31.6178.3-71.9176-15.700113.1R280 G281 N286 L297R280-Q284 WeakPolarHBondContact O-CB 2.67Å; R280-Q284 WeakPolarHBondContact O-CG 3.5Å; R280-Q284 PolarHBondContact O-N 3.04Å; G281-Q284 PolarHBondContact O-N 3.39Å; Q284-N286 VanDerWaalsContact C-N 3.26Å; Q284-N286 PolarHBondContact O-N 3.43Å; Q284-L297 HydrophobicContact CG-CD1 4.33Å; Q284-L297 HydrophobicContact CG-CD2 4.35Å
285A92.6Very high92.3Very high82 Ų8247.5 Ų47.568%0.67826%0.255SS*.Hα-helixtrans-72.2-19.2177.800000113.5G281 F282G281-A285 VanDerWaalsContact O-CB 3.28Å; G281-A285 WeakPolarHBondContact O-CB 3.5Å; G281-A285 PolarHBondContact O-N 2.86Å; F282-A285 PolarHBondContact O-N 2.78Å
286N93.1Very high92.6Very high22 Ų2249.8 Ų49.812%0.11827%0.266CS..SBendtrans-113.8103.8178.9-68.6-86.4000108.7R9 F282 Q284 D288 L289 G290R9-N286 WeakPolarHBondContact CD-OD1 3.36Å; R9-N286 PolarHBondContact NH1-OD1 3.2Å; F282-N286 PolarHBondContact O-N 3.02Å; F282-N286 PolarHBondContact O-ND2 3.18Å; Q284-N286 VanDerWaalsContact C-N 3.26Å; Q284-N286 PolarHBondContact O-N 3.43Å; N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 PolarHBondContact O-N 3.39Å; N286-L289 HydrophobicContact CB-CB 4.07Å; N286-L289 HydrophobicContact CB-CD1 3.92Å; N286-L289 HydrophobicContact CB-CG 4.18Å; N286-L289 PolarHBondContact O-N 2.93Å; N286-L289 VanDerWaalsContact O-N 3.09Å; N286-G290 PolarHBondContact O-N 2.82Å
287K92.4Very high92.7Very high98 Ų9849.3 Ų49.343%0.42626%0.264SS..Hα-helixtrans-60.2-37.3-170.9179.1171.1156.4-168.50112.4M1 E5 L289 G290 E291M1-K287 HydrophobicContact CE-CD 3.46Å; M1-K287 VanDerWaalsContact CE-CD 3.46Å; M1-K287 HydrophobicContact CE-CG 4.32Å; M1-K287 PolarHBondContact SD-NZ 3.11Å; M1-K287 VanDerWaalsContact SD-NZ 3.4Å; E5-K287 WeakPolarHBondContact OE1-CB 3.25Å; E5-K287 WeakPolarHBondContact OE2-CA 3.42Å; E5-K287 PolarHBondContact OE2-N 3.48Å; K287-L289 VanDerWaalsContact C-N 3.32Å; K287-L289 PolarHBondContact O-N 2.84Å; K287-G290 PolarHBondContact O-N 3.34Å; K287-E291 WeakPolarHBondContact CE-OE1 3.31Å; K287-E291 HydrophobicContact CG-CG 4.42Å; K287-E291 IonicContact NZ-OE1 3.85Å; K287-E291 WeakPolarHBondContact O-CB 3.26Å; K287-E291 WeakPolarHBondContact O-CG 3.29Å; K287-E291 PolarHBondContact O-N 2.84Å
288D93.9Very high92.6Very high12 Ų1251.6 Ų51.66%0.06427%0.274CS..Hα-helixtrans-60.6-41.3177.173.3-42.7000112.8V2 E5 R9 N286 K292V2-D288 HydrophobicContact CB-CB 4.13Å; V2-D288 HydrophobicContact CG1-CB 4.13Å; V2-D288 HydrophobicContact CG2-CB 3.99Å; E5-D288 PolarHBondContact OE2-N 3.04Å; R9-D288 IonicContact CZ-OD1 3.96Å; R9-D288 IonicContact CZ-OD2 2.72Å; R9-D288 IonicContact NH1-OD1 2.96Å; R9-D288 PolarHBondContact NH1-OD1 3.48Å; R9-D288 IonicContact NH1-OD2 2.72Å; R9-D288 IonicContact NH2-OD1 3.6Å; R9-D288 PolarHBondContact NH2-OD1 3.31Å; R9-D288 IonicContact NH2-OD2 2.8Å; R9-D288 PolarHBondContact NH2-OD2 2.92Å; N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 PolarHBondContact O-N 3.39Å; D288-K292 WeakPolarHBondContact O-CB 3.11Å; D288-K292 PolarHBondContact O-N 3.45Å
289L94.6Very high92.5Very high1 Ų149.3 Ų49.31%0.00528%0.276CS..Hα-helixtrans-74.3-41.7174.7-66.4176.6000111.8E246 L250 F282 L283 N286 K287 E291 K292 F293E246-L289 HydrophobicContact CG-CD2 4.47Å; L250-L289 HydrophobicContact CD1-CD1 3.68Å; L250-L289 HydrophobicContact CD1-CD2 3.78Å; L250-L289 HydrophobicContact CD1-CG 4.35Å; F282-L289 HydrophobicContact CD1-CD1 4.28Å; F282-L289 HydrophobicContact CE1-CD1 3.6Å; F282-L289 HydrophobicContact CZ-CD1 4.35Å; L283-L289 HydrophobicContact CD2-CB 3.89Å; L283-L289 HydrophobicContact CD2-CD1 4.39Å; N286-L289 HydrophobicContact CB-CB 4.07Å; N286-L289 HydrophobicContact CB-CD1 3.92Å; N286-L289 HydrophobicContact CB-CG 4.18Å; N286-L289 PolarHBondContact O-N 2.93Å; N286-L289 VanDerWaalsContact O-N 3.09Å; K287-L289 VanDerWaalsContact C-N 3.32Å; K287-L289 PolarHBondContact O-N 2.84Å; L289-E291 VanDerWaalsContact C-N 3.3Å; L289-E291 PolarHBondContact O-N 2.93Å; L289-K292 PolarHBondContact O-N 3Å; L289-K292 VanDerWaalsContact O-N 3.09Å; L289-F293 HydrophobicContact CD2-CE2 4.21Å; L289-F293 WeakPolarHBondContact O-CD2 3.45Å; L289-F293 PolarHBondContact O-N 2.62Å
290G92.9Very high92.1Very high16 Ų1649.4 Ų49.417%0.16528%0.277CS..Hα-helixtrans-59.6-38.9177.500000112.9L283 N286 K287 S294L283-G290 VanDerWaalsContact O-CA 3.3Å; L283-G290 WeakPolarHBondContact O-CA 3.36Å; L283-G290 PolarHBondContact O-N 3.36Å; L283-G290 VanDerWaalsContact O-N 3.1Å; N286-G290 PolarHBondContact O-N 2.82Å; K287-G290 PolarHBondContact O-N 3.34Å; G290-S294 WeakPolarHBondContact O-CA 3.3Å; G290-S294 PolarHBondContact O-N 3.09Å
291E93.4Very high91.7Very high112 Ų11250 Ų5052%0.52328%0.284SS..Hα-helixtrans-65.6-45.3172.3-73.4175-172.900111.3K287 L289 F293 S294K287-E291 WeakPolarHBondContact CE-OE1 3.31Å; K287-E291 HydrophobicContact CG-CG 4.42Å; K287-E291 IonicContact NZ-OE1 3.85Å; K287-E291 WeakPolarHBondContact O-CB 3.26Å; K287-E291 WeakPolarHBondContact O-CG 3.29Å; K287-E291 PolarHBondContact O-N 2.84Å; L289-E291 VanDerWaalsContact C-N 3.3Å; L289-E291 PolarHBondContact O-N 2.93Å; E291-F293 PolarHBondContact O-N 3.48Å; E291-S294 WeakPolarHBondContact O-CB 3.4Å; E291-S294 PolarHBondContact O-N 3.09Å; E291-S294 PolarHBondContact O-OG 3.39Å
292K94.1Very high91.1Very high98 Ų9851.5 Ų51.543%0.42629%0.288SS..Hα-helixtrans-65.6-36.3-177.8-169.2172-170169.70113.7S243 A247 D288 L289S243-K292 PolarHBondContact O-NZ 3.46Å; A247-K292 HydrophobicContact CB-CD 3.81Å; D288-K292 WeakPolarHBondContact O-CB 3.11Å; D288-K292 PolarHBondContact O-N 3.45Å; L289-K292 PolarHBondContact O-N 3Å; L289-K292 VanDerWaalsContact O-N 3.09Å
293F95Very high90.1Very high5 Ų555 Ų552%0.02231%0.308CS..THydrogen-bonded Turntrans-103.420.7-179.7-71.6-89.8000112.8A247 L250 Q251 L283 L289 E291 S295 E296 L297A247-F293 HydrophobicContact CB-CE2 4.14Å; A247-F293 HydrophobicContact CB-CZ 4.13Å; A247-F293 WeakPolarHBondContact O-CZ 3.31Å; L250-F293 HydrophobicContact CB-CE2 4.26Å; L250-F293 HydrophobicContact CB-CZ 3.85Å; L250-F293 HydrophobicContact CD1-CE2 4.36Å; Q251-F293 HydrophobicContact CB-CE1 4.03Å; Q251-F293 HydrophobicContact CB-CZ 4.32Å; L283-F293 HydrophobicContact CD1-CB 4.05Å; L283-F293 HydrophobicContact CD1-CD1 4.5Å; L283-F293 HydrophobicContact CD1-CG 4.15Å; L283-F293 HydrophobicContact CD2-CB 4.45Å; L283-F293 HydrophobicContact CD2-CD2 3.68Å; L283-F293 HydrophobicContact CD2-CE2 4.08Å; L283-F293 HydrophobicContact CD2-CG 4.09Å; L289-F293 HydrophobicContact CD2-CE2 4.21Å; L289-F293 WeakPolarHBondContact O-CD2 3.45Å; L289-F293 PolarHBondContact O-N 2.62Å; E291-F293 PolarHBondContact O-N 3.48Å; F293-S295 VanDerWaalsContact C-N 3.3Å; F293-S295 PolarHBondContact O-N 3.32Å; F293-E296 HydrophobicContact CB-CB 4.45Å; F293-E296 HydrophobicContact CD1-CB 4.44Å; F293-E296 HydrophobicContact CD1-CG 4.26Å; F293-E296 WeakPolarHBondContact O-CB 3.38Å; F293-E296 PolarHBondContact O-N 3.18Å; F293-E296 VanDerWaalsContact O-N 3.14Å; F293-L297 WeakPolarHBondContact O-CG 3.15Å; F293-L297 PolarHBondContact O-N 2.84Å
294S93.2Very high88.9Confident54 Ų5459.1 Ų59.138%0.37833%0.327SS..Hα-helixtrans-60-36.9-174.252.40000113.5G290 E291 Q298G290-S294 WeakPolarHBondContact O-CA 3.3Å; G290-S294 PolarHBondContact O-N 3.09Å; E291-S294 WeakPolarHBondContact O-CB 3.4Å; E291-S294 PolarHBondContact O-N 3.09Å; E291-S294 PolarHBondContact O-OG 3.39Å; S294-Q298 WeakPolarHBondContact O-CB 3.47Å; S294-Q298 VanDerWaalsContact O-CG 3.25Å; S294-Q298 WeakPolarHBondContact O-CG 2.9Å; S294-Q298 PolarHBondContact O-N 3.34Å; S294-Q298 VanDerWaalsContact O-N 3.08Å
295S91.1Very high87.7Confident70 Ų7057.5 Ų57.549%0.4933%0.331SS..Hα-helixtrans-65.1-42.8174.7340000112.8F293 Q298 A299F293-S295 VanDerWaalsContact C-N 3.3Å; F293-S295 PolarHBondContact O-N 3.32Å; S295-Q298 PolarHBondContact O-N 3.27Å; S295-A299 WeakPolarHBondContact O-CB 3.19Å; S295-A299 PolarHBondContact O-N 3.48Å
296E91.9Very high86Confident51 Ų5160.7 Ų60.724%0.23833%0.329CS..Hα-helixtrans-67-44.6179.7-73.376.5-176.200110.7L254 F293 Q298 A299 I300L254-E296 HydrophobicContact CD2-CB 3.59Å; L254-E296 HydrophobicContact CD2-CG 3.57Å; F293-E296 HydrophobicContact CB-CB 4.45Å; F293-E296 HydrophobicContact CD1-CB 4.44Å; F293-E296 HydrophobicContact CD1-CG 4.26Å; F293-E296 WeakPolarHBondContact O-CB 3.38Å; F293-E296 PolarHBondContact O-N 3.18Å; F293-E296 VanDerWaalsContact O-N 3.14Å; E296-Q298 PolarHBondContact O-N 3.35Å; E296-A299 WeakPolarHBondContact O-CB 3.33Å; E296-A299 PolarHBondContact O-N 3.21Å; E296-A299 VanDerWaalsContact O-N 3.16Å; E296-I300 WeakPolarHBondContact O-CG1 3.46Å; E296-I300 PolarHBondContact O-N 3.45Å
297L90.2Very high84.1Confident15 Ų1562.1 Ų62.18%0.07935%0.349CS..Hα-helixtrans-59.7-45.3175.4-71.4170.4000111.4R280 L283 Q284 F293 A299 I300 D301R280-L297 HydrophobicContact CB-CD2 4.42Å; R280-L297 HydrophobicContact CG-CD2 3.85Å; L283-L297 HydrophobicContact CB-CD1 4.38Å; L283-L297 HydrophobicContact CB-CD2 4.27Å; L283-L297 HydrophobicContact CD1-CD2 4.24Å; Q284-L297 HydrophobicContact CG-CD1 4.33Å; Q284-L297 HydrophobicContact CG-CD2 4.35Å; F293-L297 WeakPolarHBondContact O-CG 3.15Å; F293-L297 PolarHBondContact O-N 2.84Å; L297-A299 VanDerWaalsContact C-N 3.29Å; L297-A299 PolarHBondContact O-N 3.35Å; L297-I300 PolarHBondContact O-N 3.32Å; L297-D301 VanDerWaalsContact O-CG 3.28Å; L297-D301 PolarHBondContact O-N 2.86Å
298Q88.6Confident81.8Confident130 Ų13060.2 Ų60.261%0.60736%0.357SS*.Hα-helixtrans-62.4-36175.2-74173.510.500112.8S294 S295 E296 S302S294-Q298 WeakPolarHBondContact O-CB 3.47Å; S294-Q298 VanDerWaalsContact O-CG 3.25Å; S294-Q298 WeakPolarHBondContact O-CG 2.9Å; S294-Q298 PolarHBondContact O-N 3.34Å; S294-Q298 VanDerWaalsContact O-N 3.08Å; S295-Q298 PolarHBondContact O-N 3.27Å; E296-Q298 PolarHBondContact O-N 3.35Å; Q298-S302 WeakPolarHBondContact O-CB 3.44Å; Q298-S302 PolarHBondContact O-N 3.28Å; Q298-S302 PolarHBondContact O-OG 2.89Å
299A86.4Confident79.1Confident51 Ų5167.7 Ų67.742%0.42139%0.392SS..Hα-helixtrans-67.9-39.3177.100000111.8S295 E296 L297 S302 L303S295-A299 WeakPolarHBondContact O-CB 3.19Å; S295-A299 PolarHBondContact O-N 3.48Å; E296-A299 WeakPolarHBondContact O-CB 3.33Å; E296-A299 PolarHBondContact O-N 3.21Å; E296-A299 VanDerWaalsContact O-N 3.16Å; L297-A299 VanDerWaalsContact C-N 3.29Å; L297-A299 PolarHBondContact O-N 3.35Å; A299-S302 PolarHBondContact O-N 3.46Å; A299-L303 WeakPolarHBondContact O-CG 3.47Å; A299-L303 PolarHBondContact O-N 3.21Å; A299-L303 VanDerWaalsContact O-N 3.16Å
300I84.3Confident76.4Confident4 Ų476.2 Ų76.22%0.02143%0.432CS..Hα-helixtrans-62.2-51.6173.9-63.9161.8000110L254 L258 L276 E296 L297 S302 L303 E304L254-I300 HydrophobicContact CD1-CD1 3.78Å; L258-I300 HydrophobicContact CD2-CG1 4.43Å; L276-I300 HydrophobicContact CD1-CD1 3.94Å; L276-I300 HydrophobicContact CD1-CG1 4.36Å; L276-I300 HydrophobicContact CD2-CG2 4.22Å; L276-I300 HydrophobicContact CG-CG2 4.49Å; E296-I300 WeakPolarHBondContact O-CG1 3.46Å; E296-I300 PolarHBondContact O-N 3.45Å; L297-I300 PolarHBondContact O-N 3.32Å; I300-S302 PolarHBondContact O-N 3.39Å; I300-L303 WeakPolarHBondContact O-CB 3.25Å; I300-L303 PolarHBondContact O-N 3.26Å; I300-E304 PolarHBondContact O-N 3.41Å; I300-E304 VanDerWaalsContact O-N 3.13Å
301D83.4Confident73.7Confident61 Ų6186 Ų8633%0.32648%0.481SS..Hα-helixtrans-57.5-36.7179.6-64.8-18.9000111.7R280 L297 A305R280-D301 IonicContact CZ-OD1 2.8Å; R280-D301 VanDerWaalsContact CZ-OD1 3.23Å; R280-D301 IonicContact NE-OD1 2.83Å; R280-D301 PolarHBondContact NE-OD1 3.15Å; R280-D301 IonicContact NH2-OD1 3.53Å; R280-D301 PolarHBondContact NH2-OD1 2.86Å; R280-D301 IonicContact NH2-OD2 2.77Å; L297-D301 VanDerWaalsContact O-CG 3.28Å; L297-D301 PolarHBondContact O-N 2.86Å; D301-A305 WeakPolarHBondContact O-CB 3.37Å; D301-A305 PolarHBondContact O-N 3.27Å
302S80.4Confident72.7Confident65 Ų6584.8 Ų84.846%0.45548%0.479SS..Hα-helixtrans-71.5-26.8177.7-61.20000113.8Q298 A299 I300 K306Q298-S302 WeakPolarHBondContact O-CB 3.44Å; Q298-S302 PolarHBondContact O-N 3.28Å; Q298-S302 PolarHBondContact O-OG 2.89Å; A299-S302 PolarHBondContact O-N 3.46Å; I300-S302 PolarHBondContact O-N 3.39Å; S302-K306 WeakPolarHBondContact O-CG 3.49Å; S302-K306 PolarHBondContact O-N 3.29Å
303L74.1Confident71.6Confident109 Ų10984.1 Ų84.157%0.57148%0.481SS*.Hα-helixtrans-75.7-40.7175.5-73167.2000110.5L258 A299 I300 K306 G307L258-L303 HydrophobicContact CD2-CD1 4.42Å; A299-L303 WeakPolarHBondContact O-CG 3.47Å; A299-L303 PolarHBondContact O-N 3.21Å; A299-L303 VanDerWaalsContact O-N 3.16Å; I300-L303 WeakPolarHBondContact O-CB 3.25Å; I300-L303 PolarHBondContact O-N 3.26Å; L303-K306 PolarHBondContact O-N 3.46Å; L303-G307 PolarHBondContact O-N 3.48Å; L303-G307 VanDerWaalsContact O-N 3.09Å
304E68Low70.3Confident89 Ų8988.4 Ų88.442%0.41651%0.507SS..Hα-helixtrans-66.5-43.2176.4-67.3179.7169.400112.2I300 K306 G307 G308I300-E304 PolarHBondContact O-N 3.41Å; I300-E304 VanDerWaalsContact O-N 3.13Å; E304-K306 PolarHBondContact O-N 3Å; E304-G307 PolarHBondContact O-N 3.37Å; E304-G307 VanDerWaalsContact O-N 3.13Å; E304-G308 PolarHBondContact O-N 2.87Å; E304-G308 VanDerWaalsContact O-N 3.1Å
305A66.9Low68.9Low63 Ų6390.5 Ų90.552%0.52151%0.514SS..Hα-helixtrans-61-33.1177.300000112.7D301D301-A305 WeakPolarHBondContact O-CB 3.37Å; D301-A305 PolarHBondContact O-N 3.27Å
306K58.4Low67.5Low148 Ų14891.8 Ų91.864%0.64352%0.516SS*.Hα-helixtrans-78.9-29.4176.1-72.8175.8-178.2176.20113.1S302 L303 E304 G308S302-K306 WeakPolarHBondContact O-CG 3.49Å; S302-K306 PolarHBondContact O-N 3.29Å; L303-K306 PolarHBondContact O-N 3.46Å; E304-K306 PolarHBondContact O-N 3Å; K306-G308 VanDerWaalsContact C-N 3.32Å
307G52.9Low65.9Low52 Ų5294.5 Ų94.554%0.53653%0.534SS..Hα-helixtrans-72.1-25174.200000113.4L303 E304L303-G307 PolarHBondContact O-N 3.48Å; L303-G307 VanDerWaalsContact O-N 3.09Å; E304-G307 PolarHBondContact O-N 3.37Å; E304-G307 VanDerWaalsContact O-N 3.13Å
308G42.8Very low64.2Low58 Ų58100.1 Ų100.160%0.59857%0.567SS**THydrogen-bonded Turntrans-87.7-4.1177.800000116E304 K306E304-G308 PolarHBondContact O-N 2.87Å; E304-G308 VanDerWaalsContact O-N 3.1Å; K306-G308 VanDerWaalsContact C-N 3.32Å
309E38.3Very low62.3Low170 Ų17097.8 Ų97.879%0.79456%0.564SS**THydrogen-bonded Turntrans-991.2177.2-76.6-175.2164.800113.4
310E38.4Very low60.3Low179 Ų179101.8 Ų101.884%0.83658%0.576SS**  trans-100.78.5176.8-74.6-169.616200114.8
311D35.3Very low58.1Low223 Ų223110.6 Ų110.6100%1.19363%0.626SS**  trans-99.90172.1-85.3-19000113.7

Retrieved 311 of 311 residues in 540 ms (Link to these results)

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