A0A087X7K7_POEFO Loading...

Nicotinamide-nucleotide adenylyltransferase

AlphaFold DB , UniProt , Accession A0A087X7K7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 275 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
1M41Very low77.4Confident239 Ų23995.7 Ų95.7100%1.17752%0.515SS*.  0113.50-71.8172.8-175.600105.5N3M1-N3 PolarHBondContact O-N 3.38Å
2E45.3Very low79.2Confident195 Ų19587.8 Ų87.891%0.91147%0.472SS*.PPolyproline II helixtrans-64125.8174.5-72.7176.5157.400107.8
3N52.2Low80.7Confident147 Ų14781.5 Ų81.579%0.78644%0.44SS*.PPolyproline II helixtrans-58.4131.4171.6-78.9-20.1000107.8M1 T5M1-N3 PolarHBondContact O-N 3.38Å; N3-T5 PolarHBondContact O-N 3.11Å
4P60.5Low82Confident108 Ų10877.5 Ų77.570%0.70142%0.42SS*.PPolyproline II helixtrans-56.4127176.122-30.2000108.8T6P4-T6 PolarHBondContact O-N 3.21Å; P4-T6 VanDerWaalsContact O-N 3.11Å
5T80Confident83.1Confident141 Ų14174 Ų7487%0.86541%0.41SS*.  trans-65.7110.7177.934.90000109.2N3N3-T5 PolarHBondContact O-N 3.11Å
6T88.9Confident84Confident69 Ų6970.4 Ų70.442%0.42339%0.391SS..PPolyproline II helixtrans-68.9139.4176.353.60000110.8P4 K8P4-T6 PolarHBondContact O-N 3.21Å; P4-T6 VanDerWaalsContact O-N 3.11Å; T6-K8 PolarHBondContact O-N 3.18Å
7S92.8Very high84.9Confident47 Ų4766.8 Ų66.833%0.32937%0.37SS..EExtended strand (participates in β ladder)trans-74.1123.4174.1-63.90000110Q40 Y41 S42S7-Q40 PolarHBondContact N-O 3.06Å; S7-Y41 CarbonylContact O-C 3.55Å; S7-Y41 VanDerWaalsContact O-CA 3.26Å; S7-Y41 WeakPolarHBondContact O-CA 3.45Å; S7-S42 PolarHBondContact O-N 3.48Å
8K95.6Very high85.6Confident106 Ų10663.4 Ų63.446%0.46135%0.352SS..EExtended strand (participates in β ladder)trans-69.8134.6173.5-66.5176.8-176.3170.90109.6T6 S42 I44 P144 Q145T6-K8 PolarHBondContact O-N 3.18Å; K8-S42 CarbonylContact C-O 3.56Å; K8-S42 WeakPolarHBondContact CA-O 3.17Å; K8-I44 HydrophobicContact CB-CD1 4.11Å; K8-I44 HydrophobicContact CB-CG1 4.42Å; K8-I44 HydrophobicContact CB-CG2 4.17Å; K8-I44 HydrophobicContact CD-CD1 4.37Å; K8-I44 HydrophobicContact CD-CG2 4.42Å; K8-I44 HydrophobicContact CG-CG2 4.07Å; K8-P144 HydrophobicContact CB-CB 4.09Å; K8-P144 HydrophobicContact CB-CG 4.3Å; K8-P144 CarbonylContact O-C 3.54Å; K8-P144 WeakPolarHBondContact O-CA 3.38Å; K8-Q145 PolarHBondContact O-N 3.44Å
9V97.6Very high86.3Confident0 Ų060.1 Ų60.10%033%0.333CS..EExtended strand (participates in β ladder)trans-125.9138.7-179.2178.50000111L11 L35 Y41 S42 V43 I44 Q145 M147V9-L11 HydrophobicContact CG1-CD2 4.04Å; V9-L11 HydrophobicContact CG1-CG 4.49Å; V9-L35 HydrophobicContact CG1-CD1 4.1Å; V9-Y41 HydrophobicContact CG2-CD1 3.35Å; V9-Y41 HydrophobicContact CG2-CE1 4.16Å; V9-Y41 HydrophobicContact CG2-CG 3.98Å; V9-S42 PolarHBondContact N-O 2.97Å; V9-V43 HydrophobicContact CB-CG2 4.37Å; V9-V43 WeakPolarHBondContact O-CA 3.32Å; V9-I44 WeakPolarHBondContact O-CG1 3.47Å; V9-I44 PolarHBondContact O-N 3.26Å; V9-Q145 CarbonylContact C-O 3.57Å; V9-Q145 WeakPolarHBondContact CA-O 3.37Å; V9-Q145 HydrophobicContact CG2-CB 4.4Å; V9-M147 HydrophobicContact CG1-CB 4.33Å; V9-M147 HydrophobicContact CG1-CG 3.99Å; V9-M147 HydrophobicContact CG1-SD 3.9Å; V9-M147 HydrophobicContact CG2-CE 4.21Å; V9-M147 HydrophobicContact CG2-SD 4.5Å
10V98.6Very high86.9Confident1 Ų157.1 Ų57.11%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-110.5128165.5179.60000108.2I44 K45 I47 L106 P144 Q145 L146 M147V10-I44 HydrophobicContact CG2-CD1 4.11Å; V10-I44 HydrophobicContact CG2-CG1 3.94Å; V10-K45 CarbonylContact C-O 3.56Å; V10-K45 WeakPolarHBondContact CA-O 3.43Å; V10-K45 HydrophobicContact CG1-CB 4.12Å; V10-K45 HydrophobicContact CG2-CB 4.16Å; V10-I47 HydrophobicContact CG1-CD1 3.8Å; V10-I47 HydrophobicContact CG1-CG1 4.09Å; V10-L106 HydrophobicContact CB-CD1 3.91Å; V10-L106 HydrophobicContact CG1-CD1 4.19Å; V10-L106 HydrophobicContact CG2-CD1 3.78Å; V10-L106 HydrophobicContact CG2-CD2 3.93Å; V10-P144 HydrophobicContact CG2-CB 4.21Å; V10-Q145 PolarHBondContact N-O 2.73Å; V10-L146 HydrophobicContact CB-CD1 3.86Å; V10-L146 HydrophobicContact CG1-CD1 3.7Å; V10-L146 WeakPolarHBondContact O-CA 3.44Å; V10-M147 PolarHBondContact O-N 3.2Å
11L98.9Very high87.5Confident0 Ų054.4 Ų54.40%030%0.302CS..EExtended strand (participates in β ladder)trans-94.3126.8175.8-64.4178.1000109.8V9 F28 A31 L35 V43 K45 G46 I47 W79 M147 L149 V179V9-L11 HydrophobicContact CG1-CD2 4.04Å; V9-L11 HydrophobicContact CG1-CG 4.49Å; L11-F28 HydrophobicContact CB-CD1 4.29Å; L11-F28 HydrophobicContact CB-CE1 4.17Å; L11-A31 HydrophobicContact CD1-CB 3.69Å; L11-L35 HydrophobicContact CD2-CD1 3.87Å; L11-V43 HydrophobicContact CD1-CG1 3.89Å; L11-V43 HydrophobicContact CG-CG1 3.96Å; L11-K45 PolarHBondContact N-O 2.89Å; L11-G46 CarbonylContact O-C 3.33Å; L11-G46 WeakPolarHBondContact O-CA 3.29Å; L11-I47 PolarHBondContact O-N 3.44Å; L11-W79 HydrophobicContact CD1-CH2 4.11Å; L11-W79 HydrophobicContact CD1-CZ3 4.2Å; L11-M147 HydrophobicContact CD2-CB 4.21Å; L11-L149 HydrophobicContact CB-CB 4.4Å; L11-L149 HydrophobicContact CD1-CD2 4.49Å; L11-V179 HydrophobicContact CD2-CG2 3.95Å
12L98.9Very high90.2Very high0 Ų045.3 Ų45.30%026%0.258CS..EExtended strand (participates in β ladder)trans-115.4120.5175.5172.865000109.8I47 V98 I99 H102 L146 M147 L148 L149L12-I47 CarbonylContact C-O 3.48Å; L12-I47 WeakPolarHBondContact CA-O 3.49Å; L12-I47 HydrophobicContact CD1-CB 3.86Å; L12-I47 HydrophobicContact CD1-CG2 3.7Å; L12-V98 HydrophobicContact CD2-CG1 4.39Å; L12-I99 HydrophobicContact CD2-CB 4.45Å; L12-I99 HydrophobicContact CD2-CG1 3.82Å; L12-H102 HydrophobicContact CD2-CB 4.48Å; L12-L146 HydrophobicContact CB-CD1 3.96Å; L12-L146 HydrophobicContact CB-CG 4.45Å; L12-L146 HydrophobicContact CD2-CD2 4.22Å; L12-M147 PolarHBondContact N-O 3.09Å; L12-L148 CarbonylContact O-C 3.5Å; L12-L148 WeakPolarHBondContact O-CA 3.25Å; L12-L149 PolarHBondContact O-N 3.5Å
13A98.9Very high92.5Very high7 Ų736.1 Ų36.16%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-108.9107.1172.600000110.4F17 F28 I47 S49 L149A13-F17 HydrophobicContact CB-CZ 4.15Å; A13-F17 WeakPolarHBondContact O-CZ 3.47Å; A13-F28 HydrophobicContact CB-CE1 4.46Å; A13-F28 HydrophobicContact CB-CE2 3.69Å; A13-F28 HydrophobicContact CB-CZ 3.44Å; A13-F28 VanDerWaalsContact CB-CZ 3.44Å; A13-I47 PolarHBondContact N-O 2.93Å; A13-S49 PolarHBondContact O-N 3.13Å; A13-L149 WeakPolarHBondContact CA-O 3.35Å; A13-L149 HydrophobicContact CB-CB 4.26Å; A13-L149 HydrophobicContact CB-CD2 4.42Å; A13-L149 HydrophobicContact CB-CG 4.42Å
14C98.7Very high94.7Very high25 Ų2531.2 Ų31.217%0.16919%0.187CC..EExtended strand (participates in β ladder)trans-84.8140.8168.3-66.50000109.8S49 T95C14-S49 WeakPolarHBondContact CA-O 3.39Å; C14-T95 HydrophobicContact CB-CG2 4.21Å
15G97.9Very high96.5Very high25 Ų2527.5 Ų27.526%0.25816%0.162SC..EExtended strand (participates in β ladder)trans175.8173.9178.900000114.8F17 S49 P50 V51G15-F17 WeakPolarHBondContact O-CD2 3.41Å; G15-S49 PolarHBondContact N-O 2.92Å; G15-P50 WeakPolarHBondContact O-CA 3.26Å; G15-V51 PolarHBondContact O-N 3.28Å
16S98.5Very high97.3Very high17 Ų1724.8 Ų24.812%0.11914%0.135CC..  trans-70.3-40178-530000112.5N18 K57 R66S16-N18 VanDerWaalsContact C-N 3.34Å; S16-N18 PolarHBondContact O-N 3.32Å; S16-K57 WeakPolarHBondContact OG-CD 3.41Å; S16-K57 PolarHBondContact OG-NZ 2.82Å; S16-R66 VanDerWaalsContact O-CD 3.31Å; S16-R66 WeakPolarHBondContact O-CD 3.3Å; S16-R66 PolarHBondContact O-NH1 3.47Å
17F98.5Very high97.7Very high8 Ų822.4 Ų22.44%0.03512%0.12CC..  trans46.156.1-173-54.5-76.9000112.2A13 G15 P19 I20 H24 I48 P50A13-F17 HydrophobicContact CB-CZ 4.15Å; A13-F17 WeakPolarHBondContact O-CZ 3.47Å; G15-F17 WeakPolarHBondContact O-CD2 3.41Å; F17-P19 VanDerWaalsContact C-CA 3.45Å; F17-P19 CarbonylContact C-O 3.53Å; F17-P19 CarbonylContact O-C 3.51Å; F17-P19 VanDerWaalsContact O-C 3.27Å; F17-P19 VanDerWaalsContact O-CA 3.27Å; F17-P19 WeakPolarHBondContact O-CA 3.46Å; F17-I20 VanDerWaalsContact C-N 3.33Å; F17-I20 HydrophobicContact CB-CB 4.17Å; F17-I20 HydrophobicContact CD1-CB 4.33Å; F17-I20 HydrophobicContact CD1-CD1 4.29Å; F17-I20 HydrophobicContact CD1-CG1 4.09Å; F17-I20 PolarHBondContact O-N 3.32Å; F17-H24 HydrophobicContact CD1-CB 4.3Å; F17-H24 AromaticContact CD1-CD2 3.66Å; F17-H24 AromaticContact CD1-CG 3.98Å; F17-H24 HydrophobicContact CE1-CB 4.15Å; F17-H24 AromaticContact CE1-CD2 3.64Å; F17-I48 HydrophobicContact CD1-CG2 4.23Å; F17-I48 HydrophobicContact CD2-CG2 3.92Å; F17-I48 HydrophobicContact CE1-CG2 3.97Å; F17-I48 HydrophobicContact CE2-CG2 3.65Å; F17-I48 HydrophobicContact CG-CG2 4.21Å; F17-I48 HydrophobicContact CZ-CG2 3.68Å; F17-P50 HydrophobicContact CD2-CB 4.21Å; F17-P50 HydrophobicContact CD2-CG 4.2Å
18N98.6Very high98Very high7 Ų720.2 Ų20.24%0.03710%0.104CC..THydrogen-bonded Turntrans-121.469.7-168.9-17537.2000113.7S16 G59 L60 I61 A218 R222 Y249S16-N18 VanDerWaalsContact C-N 3.34Å; S16-N18 PolarHBondContact O-N 3.32Å; N18-G59 PolarHBondContact ND2-O 3.09Å; N18-L60 HydrophobicContact CB-CD1 4.08Å; N18-I61 WeakPolarHBondContact OD1-CG1 3.37Å; N18-A218 WeakPolarHBondContact O-CB 3.47Å; N18-R222 WeakPolarHBondContact O-CD 3.32Å; N18-R222 PolarHBondContact O-NH1 3.47Å; N18-Y249 WeakPolarHBondContact OD1-CE1 3.12Å; N18-Y249 PolarHBondContact OD1-OH 3.38Å
19P98.6Very high98.1Very high0 Ų017.7 Ų17.70%09%0.094CC..THydrogen-bonded Turncis-86.3171-3.532.9-32.7000112F17 M69 A218 V221 L235 Y249F17-P19 VanDerWaalsContact C-CA 3.45Å; F17-P19 CarbonylContact C-O 3.53Å; F17-P19 CarbonylContact O-C 3.51Å; F17-P19 VanDerWaalsContact O-C 3.27Å; F17-P19 VanDerWaalsContact O-CA 3.27Å; F17-P19 WeakPolarHBondContact O-CA 3.46Å; P19-M69 HydrophobicContact CB-CE 3.87Å; P19-M69 HydrophobicContact CB-SD 3.75Å; P19-A218 WeakPolarHBondContact O-CB 3.48Å; P19-V221 HydrophobicContact CG-CB 4.41Å; P19-V221 HydrophobicContact CG-CG1 3.63Å; P19-L235 HydrophobicContact CG-CD1 4.24Å; P19-L235 HydrophobicContact CG-CD2 4.33Å; P19-Y249 VanDerWaalsContact CA-OH 3.27Å; P19-Y249 WeakPolarHBondContact CA-OH 3.26Å; P19-Y249 HydrophobicContact CB-CE2 3.86Å; P19-Y249 WeakPolarHBondContact CB-OH 3.44Å; P19-Y249 WeakPolarHBondContact CD-OH 3.37Å; P19-Y249 HydrophobicContact CG-CE2 3.82Å
20I98.6Very high98.1Very high0 Ų018.3 Ų18.30%010%0.097CC..  trans-59.2146.2161.4-169.3164.9000109.3F17 H24 L25 I48 M69 A70 A73 L235 V239F17-I20 VanDerWaalsContact C-N 3.33Å; F17-I20 HydrophobicContact CB-CB 4.17Å; F17-I20 HydrophobicContact CD1-CB 4.33Å; F17-I20 HydrophobicContact CD1-CD1 4.29Å; F17-I20 HydrophobicContact CD1-CG1 4.09Å; F17-I20 PolarHBondContact O-N 3.32Å; I20-H24 HydrophobicContact CG1-CB 3.93Å; I20-L25 HydrophobicContact CD1-CD2 4.06Å; I20-I48 HydrophobicContact CD1-CD1 3.59Å; I20-M69 HydrophobicContact CG2-CB 4.16Å; I20-A70 HydrophobicContact CD1-CB 4.2Å; I20-A73 HydrophobicContact CD1-CB 3.89Å; I20-A73 HydrophobicContact CG1-CB 4.4Å; I20-A73 HydrophobicContact CG2-CB 3.75Å; I20-L235 VanDerWaalsContact O-CD2 3.32Å; I20-L235 WeakPolarHBondContact O-CD2 3.4Å; I20-V239 HydrophobicContact CG2-CG1 4.41Å; I20-V239 HydrophobicContact CG2-CG2 4.21Å
21T98.2Very high98.1Very high0 Ų018.2 Ų18.20%010%0.097CC..  trans-133.4166.4-177.673.60000110.6M23 H24 L25 I216 A218 V221 L235T21-M23 PolarHBondContact O-N 3.33Å; T21-M23 VanDerWaalsContact O-N 3.1Å; T21-M23 PolarHBondContact OG1-N 3.38Å; T21-H24 PolarHBondContact N-ND1 2.93Å; T21-H24 WeakPolarHBondContact O-CB 3.37Å; T21-H24 PolarHBondContact O-N 3.04Å; T21-H24 PolarHBondContact OG1-CE1 3.43Å; T21-H24 PolarHBondContact OG1-ND1 3.21Å; T21-L25 PolarHBondContact O-N 2.91Å; T21-I216 HydrophobicContact CG2-CG2 4.11Å; T21-I216 PolarHBondContact OG1-O 3.08Å; T21-A218 HydrophobicContact CG2-CB 4.42Å; T21-V221 HydrophobicContact CG2-CG2 4.04Å; T21-L235 HydrophobicContact CG2-CD2 3.59Å
22N97.4Very high98.1Very high48 Ų4821.1 Ų21.126%0.25711%0.108SC..Hα-helixtrans-56.8-27.4174.6-72.1-10.6000112.5L25 R26 Y233 L234 L235 P236N22-L25 PolarHBondContact O-N 3Å; N22-R26 VanDerWaalsContact O-CB 3.32Å; N22-R26 WeakPolarHBondContact O-CB 3.3Å; N22-R26 PolarHBondContact O-N 3.22Å; N22-Y233 PolarHBondContact ND2-O 2.76Å; N22-L234 WeakPolarHBondContact CB-O 3.23Å; N22-L234 PolarHBondContact N-O 3.44Å; N22-L235 VanDerWaalsContact OD1-C 3.25Å; N22-P236 WeakPolarHBondContact OD1-CD 3.4Å
23M95.2Very high98.1Very high2 Ų224.6 Ų24.61%0.0113%0.126CC..Hα-helixtrans-70.3-34.2176.8-174.551.1-170.600112.7T21 R26 M27 R183 N214 I216T21-M23 PolarHBondContact O-N 3.33Å; T21-M23 VanDerWaalsContact O-N 3.1Å; T21-M23 PolarHBondContact OG1-N 3.38Å; M23-R26 PolarHBondContact O-N 3.39Å; M23-R26 HydrophobicContact SD-CB 4.16Å; M23-R26 HydrophobicContact SD-CG 4.29Å; M23-M27 HydrophobicContact CE-CG 4.11Å; M23-M27 WeakPolarHBondContact O-CG 3.45Å; M23-M27 PolarHBondContact O-N 3.1Å; M23-R183 HydrophobicContact CE-CG 4.13Å; M23-N214 HydrophobicContact SD-CB 3.87Å; M23-N214 VanDerWaalsContact SD-O 3.33Å; M23-I216 HydrophobicContact CB-CB 4.19Å
24H97.6Very high98Very high44 Ų4427.2 Ų27.220%0.20414%0.137CC..Hα-helixtrans-65.5-41.7174.7-60.893.2000111.1F17 I20 T21 M27 F28F17-H24 HydrophobicContact CD1-CB 4.3Å; F17-H24 AromaticContact CD1-CD2 3.66Å; F17-H24 AromaticContact CD1-CG 3.98Å; F17-H24 HydrophobicContact CE1-CB 4.15Å; F17-H24 AromaticContact CE1-CD2 3.64Å; I20-H24 HydrophobicContact CG1-CB 3.93Å; T21-H24 PolarHBondContact N-ND1 2.93Å; T21-H24 WeakPolarHBondContact O-CB 3.37Å; T21-H24 PolarHBondContact O-N 3.04Å; T21-H24 PolarHBondContact OG1-CE1 3.43Å; T21-H24 PolarHBondContact OG1-ND1 3.21Å; H24-M27 PolarHBondContact O-N 2.62Å; H24-F28 WeakPolarHBondContact O-CD2 3.48Å
25L98Very high98Very high31 Ų3126 Ų2616%0.16213%0.129CC..Hα-helixtrans-64.5-43.2174.4-59.1177.7000111I20 T21 N22 M27 F28 E29 I48 A73 T74 P236I20-L25 HydrophobicContact CD1-CD2 4.06Å; T21-L25 PolarHBondContact O-N 2.91Å; N22-L25 PolarHBondContact O-N 3Å; L25-M27 VanDerWaalsContact C-N 3.26Å; L25-M27 PolarHBondContact O-N 3.17Å; L25-F28 WeakPolarHBondContact O-CB 3.33Å; L25-F28 PolarHBondContact O-N 3.33Å; L25-F28 VanDerWaalsContact O-N 3.1Å; L25-E29 PolarHBondContact O-N 2.99Å; L25-I48 HydrophobicContact CD2-CD1 4.39Å; L25-A73 HydrophobicContact CD1-CB 4.35Å; L25-A73 HydrophobicContact CD2-CB 4.39Å; L25-T74 HydrophobicContact CD2-CG2 3.98Å; L25-P236 HydrophobicContact CD1-CG 3.77Å
26R97.3Very high98Very high84 Ų8428.5 Ų28.532%0.31713%0.134SC..Hα-helixtrans-59.2-35.7177.5-178.456.4178.7160.42.6112.6N22 M23 F28 E29 L30 E210N22-R26 VanDerWaalsContact O-CB 3.32Å; N22-R26 WeakPolarHBondContact O-CB 3.3Å; N22-R26 PolarHBondContact O-N 3.22Å; M23-R26 PolarHBondContact O-N 3.39Å; M23-R26 HydrophobicContact SD-CB 4.16Å; M23-R26 HydrophobicContact SD-CG 4.29Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 2.94Å; R26-E29 PolarHBondContact O-N 3.4Å; R26-L30 HydrophobicContact CG-CD1 3.86Å; R26-L30 HydrophobicContact CG-CG 4.2Å; R26-L30 VanDerWaalsContact NH2-CD2 3.34Å; R26-L30 WeakPolarHBondContact O-CB 3.29Å; R26-L30 VanDerWaalsContact O-CG 3.29Å; R26-L30 WeakPolarHBondContact O-CG 3.42Å; R26-L30 PolarHBondContact O-N 2.87Å; R26-E210 IonicContact CZ-OE1 3.62Å; R26-E210 IonicContact NE-OE1 2.87Å; R26-E210 PolarHBondContact NE-OE1 3.15Å; R26-E210 IonicContact NH2-OE1 3.46Å; R26-E210 PolarHBondContact NH2-OE1 3.31Å; R26-E210 IonicContact NH2-OE2 3.58Å
27M96.9Very high97.9Very high19 Ų1934.5 Ų34.59%0.09417%0.165CC..Hα-helixtrans-59.7-36.5176.3-74.6171.654.700113M23 H24 L25 A31 L149 C150 V181M23-M27 HydrophobicContact CE-CG 4.11Å; M23-M27 WeakPolarHBondContact O-CG 3.45Å; M23-M27 PolarHBondContact O-N 3.1Å; H24-M27 PolarHBondContact O-N 2.62Å; L25-M27 VanDerWaalsContact C-N 3.26Å; L25-M27 PolarHBondContact O-N 3.17Å; M27-A31 VanDerWaalsContact O-CB 3.23Å; M27-A31 WeakPolarHBondContact O-CB 3.39Å; M27-A31 PolarHBondContact O-N 2.92Å; M27-L149 HydrophobicContact CB-CD2 4.46Å; M27-L149 HydrophobicContact CE-CG 4.44Å; M27-C150 WeakPolarHBondContact CE-O 3.35Å; M27-V181 HydrophobicContact CB-CB 4.49Å; M27-V181 HydrophobicContact CB-CG2 4.19Å; M27-V181 HydrophobicContact CE-CB 4.48Å; M27-V181 HydrophobicContact CG-CB 4.04Å; M27-V181 HydrophobicContact CG-CG1 4.08Å; M27-V181 HydrophobicContact CG-CG2 4.29Å
28F98.6Very high97.8Very high1 Ų136.5 Ų36.50%0.00418%0.178CC..Hα-helixtrans-66.1-47.3176.3-83-89.9000111.5L11 A13 H24 L25 R26 L30 A31 R32 I48 W79 I80 L149L11-F28 HydrophobicContact CB-CD1 4.29Å; L11-F28 HydrophobicContact CB-CE1 4.17Å; A13-F28 HydrophobicContact CB-CE1 4.46Å; A13-F28 HydrophobicContact CB-CE2 3.69Å; A13-F28 HydrophobicContact CB-CZ 3.44Å; A13-F28 VanDerWaalsContact CB-CZ 3.44Å; H24-F28 WeakPolarHBondContact O-CD2 3.48Å; L25-F28 WeakPolarHBondContact O-CB 3.33Å; L25-F28 PolarHBondContact O-N 3.33Å; L25-F28 VanDerWaalsContact O-N 3.1Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 2.94Å; F28-L30 PolarHBondContact O-N 3.39Å; F28-A31 PolarHBondContact O-N 2.8Å; F28-R32 WeakPolarHBondContact O-CB 3.44Å; F28-R32 PolarHBondContact O-N 2.9Å; F28-I48 HydrophobicContact CE2-CD1 4.04Å; F28-I48 HydrophobicContact CE2-CG1 3.54Å; F28-I48 HydrophobicContact CZ-CG1 3.62Å; F28-W79 HydrophobicContact CB-CH2 3.68Å; F28-W79 HydrophobicContact CB-CZ2 3.73Å; F28-W79 AromaticContact CD1-CH2 3.84Å; F28-W79 HydrophobicContact CD1-CH2 3.84Å; F28-W79 HydrophobicContact CD1-CZ3 4.15Å; F28-W79 HydrophobicContact CG-CH2 4.26Å; F28-W79 WeakPolarHBondContact O-CH2 3.12Å; F28-I80 HydrophobicContact CB-CD1 3.51Å; F28-I80 HydrophobicContact CB-CG1 4.23Å; F28-I80 HydrophobicContact CD1-CD1 4.31Å; F28-I80 HydrophobicContact CD1-CG1 4.22Å; F28-I80 HydrophobicContact CD1-CG2 4.38Å; F28-I80 HydrophobicContact CD2-CD1 4.33Å; F28-I80 HydrophobicContact CE1-CG2 4.34Å; F28-I80 HydrophobicContact CE2-CG2 4.49Å; F28-I80 HydrophobicContact CG-CD1 3.82Å; F28-I80 HydrophobicContact CG-CG1 4.23Å; F28-I80 HydrophobicContact CG-CG2 4.47Å; F28-I80 HydrophobicContact CZ-CG2 4.38Å; F28-L149 HydrophobicContact CB-CD2 4.25Å; F28-L149 HydrophobicContact CD1-CD2 3.6Å; F28-L149 HydrophobicContact CD2-CD2 3.78Å; F28-L149 HydrophobicContact CE1-CD2 3.78Å; F28-L149 HydrophobicContact CE2-CD2 3.94Å; F28-L149 HydrophobicContact CG-CD2 3.61Å; F28-L149 HydrophobicContact CZ-CD2 3.95Å
29E98.3Very high97.6Very high52 Ų5238.3 Ų38.324%0.24320%0.198CC..Hα-helixtrans-60.4-46.9178.7-60.3-57.6139.100111.2L25 R26 A31 R32 D33 W79L25-E29 PolarHBondContact O-N 2.99Å; R26-E29 PolarHBondContact O-N 3.4Å; E29-A31 PolarHBondContact O-N 3.33Å; E29-R32 PolarHBondContact O-N 2.83Å; E29-R32 IonicContact OE1-NH2 3.69Å; E29-R32 IonicContact OE2-CZ 3.96Å; E29-R32 IonicContact OE2-NE 3.74Å; E29-R32 IonicContact OE2-NH2 2.97Å; E29-R32 PolarHBondContact OE2-NH2 3.5Å; E29-D33 VanDerWaalsContact O-CG 3.27Å; E29-D33 PolarHBondContact O-N 2.72Å; E29-W79 PolarHBondContact OE1-NE1 2.96Å
30L97.9Very high97.4Very high13 Ų1344.2 Ų44.27%0.06823%0.226CC..Hα-helixtrans-60.1-44177.1-72.9168.8000113.3R26 F28 R32 H34 V181 V208 E210R26-L30 HydrophobicContact CG-CD1 3.86Å; R26-L30 HydrophobicContact CG-CG 4.2Å; R26-L30 VanDerWaalsContact NH2-CD2 3.34Å; R26-L30 WeakPolarHBondContact O-CB 3.29Å; R26-L30 VanDerWaalsContact O-CG 3.29Å; R26-L30 WeakPolarHBondContact O-CG 3.42Å; R26-L30 PolarHBondContact O-N 2.87Å; F28-L30 PolarHBondContact O-N 3.39Å; L30-R32 VanDerWaalsContact C-N 3.35Å; L30-H34 VanDerWaalsContact O-CB 3.3Å; L30-H34 WeakPolarHBondContact O-CB 3.37Å; L30-H34 PolarHBondContact O-N 2.83Å; L30-V181 HydrophobicContact CB-CG1 4.49Å; L30-V181 HydrophobicContact CB-CG2 4.44Å; L30-V181 HydrophobicContact CD1-CG1 3.68Å; L30-V208 HydrophobicContact CB-CG1 4.17Å; L30-E210 HydrophobicContact CD1-CB 3.76Å; L30-E210 HydrophobicContact CD1-CG 3.88Å; L30-E210 VanDerWaalsContact CD2-OE2 3.23Å; L30-E210 WeakPolarHBondContact CD2-OE2 3.33Å
31A98.5Very high97.3Very high0 Ų045.6 Ų45.60%023%0.231CC..Hα-helixtrans-65.8-40.4178.900000111.7L11 M27 F28 E29 L35 L149 V179 V181L11-A31 HydrophobicContact CD1-CB 3.69Å; M27-A31 VanDerWaalsContact O-CB 3.23Å; M27-A31 WeakPolarHBondContact O-CB 3.39Å; M27-A31 PolarHBondContact O-N 2.92Å; F28-A31 PolarHBondContact O-N 2.8Å; E29-A31 PolarHBondContact O-N 3.33Å; A31-L35 WeakPolarHBondContact O-CB 2.94Å; A31-L35 VanDerWaalsContact O-CG 3.29Å; A31-L35 WeakPolarHBondContact O-CG 3.22Å; A31-L35 PolarHBondContact O-N 3.32Å; A31-L35 VanDerWaalsContact O-N 3.07Å; A31-L149 HydrophobicContact CB-CD1 3.54Å; A31-L149 HydrophobicContact CB-CD2 4.32Å; A31-V179 HydrophobicContact CB-CG1 3.68Å; A31-V181 HydrophobicContact CB-CG2 4.46Å
32R98.6Very high97.3Very high61 Ų6147.6 Ų47.623%0.2325%0.245CC..Hα-helixtrans-63.1-54.917617416969.1165.12.4111.4F28 E29 L30 H34 L35 E36 V43 W79F28-R32 WeakPolarHBondContact O-CB 3.44Å; F28-R32 PolarHBondContact O-N 2.9Å; E29-R32 PolarHBondContact O-N 2.83Å; E29-R32 IonicContact OE1-NH2 3.69Å; E29-R32 IonicContact OE2-CZ 3.96Å; E29-R32 IonicContact OE2-NE 3.74Å; E29-R32 IonicContact OE2-NH2 2.97Å; E29-R32 PolarHBondContact OE2-NH2 3.5Å; L30-R32 VanDerWaalsContact C-N 3.35Å; R32-H34 VanDerWaalsContact C-N 3.28Å; R32-H34 PolarHBondContact O-N 3.11Å; R32-L35 PolarHBondContact O-N 3.2Å; R32-L35 VanDerWaalsContact O-N 3.15Å; R32-E36 HydrophobicContact CG-CG 4.24Å; R32-E36 WeakPolarHBondContact O-CG 3.34Å; R32-E36 PolarHBondContact O-N 3.34Å; R32-V43 HydrophobicContact CB-CB 4.28Å; R32-V43 HydrophobicContact CB-CG1 4.4Å; R32-V43 HydrophobicContact CB-CG2 4.32Å; R32-V43 HydrophobicContact CG-CB 3.88Å; R32-V43 HydrophobicContact CG-CG1 4.39Å; R32-V43 HydrophobicContact CG-CG2 4.19Å; R32-W79 HydrophobicContact CB-CH2 3.84Å; R32-W79 HydrophobicContact CB-CZ2 4.08Å; R32-W79 VanDerWaalsContact CZ-NE1 3.33Å; R32-W79 VanDerWaalsContact NH1-CD1 3.31Å
33D98.4Very high97.3Very high72 Ų7245.8 Ų45.839%0.38524%0.236SC..Hα-helixtrans-53.3-49.5-179.9-67.4-11000110.2E29 L35 E36 D37E29-D33 VanDerWaalsContact O-CG 3.27Å; E29-D33 PolarHBondContact O-N 2.72Å; D33-L35 PolarHBondContact O-N 3.09Å; D33-E36 PolarHBondContact O-N 3.09Å; D33-D37 VanDerWaalsContact O-CB 3.26Å; D33-D37 WeakPolarHBondContact O-CB 3.47Å; D33-D37 PolarHBondContact O-N 3.46Å
34H98.1Very high97.4Very high63 Ų6349.1 Ų49.129%0.29225%0.253SS..Hα-helixtrans-59.5-45.7179.6178.385.6000113.4L30 R32 T38 V208L30-H34 VanDerWaalsContact O-CB 3.3Å; L30-H34 WeakPolarHBondContact O-CB 3.37Å; L30-H34 PolarHBondContact O-N 2.83Å; R32-H34 VanDerWaalsContact C-N 3.28Å; R32-H34 PolarHBondContact O-N 3.11Å; H34-T38 VanDerWaalsContact O-CG2 3.3Å; H34-T38 WeakPolarHBondContact O-CG2 3.34Å; H34-V208 HydrophobicContact CB-CB 4.45Å; H34-V208 HydrophobicContact CB-CG1 3.87Å; H34-V208 HydrophobicContact CB-CG2 3.77Å
35L97.9Very high97.4Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-68.5-42.3-178.5-75.1178.5000111.6V9 L11 A31 R32 D33 T38 Y41 V43 M147 V179 H206V9-L35 HydrophobicContact CG1-CD1 4.1Å; L11-L35 HydrophobicContact CD2-CD1 3.87Å; A31-L35 WeakPolarHBondContact O-CB 2.94Å; A31-L35 VanDerWaalsContact O-CG 3.29Å; A31-L35 WeakPolarHBondContact O-CG 3.22Å; A31-L35 PolarHBondContact O-N 3.32Å; A31-L35 VanDerWaalsContact O-N 3.07Å; R32-L35 PolarHBondContact O-N 3.2Å; R32-L35 VanDerWaalsContact O-N 3.15Å; D33-L35 PolarHBondContact O-N 3.09Å; L35-T38 WeakPolarHBondContact O-CB 3.33Å; L35-T38 PolarHBondContact O-N 2.87Å; L35-T38 PolarHBondContact O-OG1 3.42Å; L35-Y41 HydrophobicContact CB-CD2 4.39Å; L35-Y41 HydrophobicContact CD2-CD2 3.85Å; L35-Y41 HydrophobicContact CD2-CE2 4.16Å; L35-Y41 HydrophobicContact CD2-CG 4.34Å; L35-V43 HydrophobicContact CB-CG2 3.98Å; L35-V43 HydrophobicContact CD1-CG2 3.82Å; L35-M147 HydrophobicContact CD1-SD 4.21Å; L35-M147 HydrophobicContact CD2-SD 4.4Å; L35-V179 HydrophobicContact CD1-CG2 4.02Å; L35-V179 HydrophobicContact CD2-CG2 4.41Å; L35-V179 HydrophobicContact CG-CG2 4.46Å; L35-H206 HydrophobicContact CD2-CB 4.39Å
36E97.7Very high97.5Very high76 Ų7648.1 Ų48.136%0.35525%0.247SC..Hα-helixtrans-69.8-37.3-179.5-66.1-171.4162.200111.8R32 D33 T38 G39 V43R32-E36 HydrophobicContact CG-CG 4.24Å; R32-E36 WeakPolarHBondContact O-CG 3.34Å; R32-E36 PolarHBondContact O-N 3.34Å; D33-E36 PolarHBondContact O-N 3.09Å; E36-T38 PolarHBondContact O-N 3.37Å; E36-T38 VanDerWaalsContact O-N 3.13Å; E36-G39 PolarHBondContact O-N 3.46Å; E36-V43 HydrophobicContact CG-CG2 4.31Å; E36-V43 PolarHBondContact OE1-N 2.79Å
37D97.1Very high97.6Very high143 Ų14344.4 Ų44.477%0.76523%0.233SC*.Hα-helixtrans-60.2-23.3175.1-80.2-11.6000113.2D33 G39D33-D37 VanDerWaalsContact O-CB 3.26Å; D33-D37 WeakPolarHBondContact O-CB 3.47Å; D33-D37 PolarHBondContact O-N 3.46Å; D37-G39 PolarHBondContact O-N 3.33Å
38T95.6Very high97.7Very high50 Ų5043.5 Ų43.531%0.30723%0.229SC..THydrogen-bonded Turntrans-67.7-17.517472.70000113.3H34 L35 E36 Q40 Y41H34-T38 VanDerWaalsContact O-CG2 3.3Å; H34-T38 WeakPolarHBondContact O-CG2 3.34Å; L35-T38 WeakPolarHBondContact O-CB 3.33Å; L35-T38 PolarHBondContact O-N 2.87Å; L35-T38 PolarHBondContact O-OG1 3.42Å; E36-T38 PolarHBondContact O-N 3.37Å; E36-T38 VanDerWaalsContact O-N 3.13Å; T38-Q40 PolarHBondContact O-N 2.68Å; T38-Q40 VanDerWaalsContact O-N 3.17Å; T38-Q40 WeakPolarHBondContact OG1-CB 3.45Å; T38-Q40 PolarHBondContact OG1-N 3.03Å; T38-Q40 VanDerWaalsContact OG1-N 3.1Å; T38-Y41 WeakPolarHBondContact OG1-CD2 3.18Å
39G95.4Very high97.7Very high46 Ų4643.4 Ų43.447%0.47423%0.228SC..THydrogen-bonded Turntrans67.13.4-170.900000114.5E36 D37E36-G39 PolarHBondContact O-N 3.46Å; D37-G39 PolarHBondContact O-N 3.33Å
40Q94.2Very high97.7Very high123 Ų12341 Ų4158%0.57522%0.217SC*.SBendtrans-98.3-22.4-178-66.717370.800112.7S7 T38S7-Q40 PolarHBondContact N-O 3.06Å; T38-Q40 PolarHBondContact O-N 2.68Å; T38-Q40 VanDerWaalsContact O-N 3.17Å; T38-Q40 WeakPolarHBondContact OG1-CB 3.45Å; T38-Q40 PolarHBondContact OG1-N 3.03Å; T38-Q40 VanDerWaalsContact OG1-N 3.1Å
41Y96.8Very high97.7Very high29 Ų2940.6 Ų40.611%0.11422%0.215CC..EExtended strand (participates in β ladder)trans-125.7152.7-172.2-57-77000111.9S7 V9 L35 T38 M147 H206S7-Y41 CarbonylContact O-C 3.55Å; S7-Y41 VanDerWaalsContact O-CA 3.26Å; S7-Y41 WeakPolarHBondContact O-CA 3.45Å; V9-Y41 HydrophobicContact CG2-CD1 3.35Å; V9-Y41 HydrophobicContact CG2-CE1 4.16Å; V9-Y41 HydrophobicContact CG2-CG 3.98Å; L35-Y41 HydrophobicContact CB-CD2 4.39Å; L35-Y41 HydrophobicContact CD2-CD2 3.85Å; L35-Y41 HydrophobicContact CD2-CE2 4.16Å; L35-Y41 HydrophobicContact CD2-CG 4.34Å; T38-Y41 WeakPolarHBondContact OG1-CD2 3.18Å; Y41-M147 HydrophobicContact CD1-CE 4.27Å; Y41-M147 HydrophobicContact CE1-CE 3.66Å; Y41-H206 AromaticContact CE2-CE1 3.72Å; Y41-H206 AromaticContact CZ-CE1 3.97Å
42S97Very high97.7Very high42 Ų4240.8 Ų40.829%0.29422%0.217SC..EExtended strand (participates in β ladder)trans-128.5118166.1172.30000107.7S7 K8 V9 I44S7-S42 PolarHBondContact O-N 3.48Å; K8-S42 CarbonylContact C-O 3.56Å; K8-S42 WeakPolarHBondContact CA-O 3.17Å; V9-S42 PolarHBondContact N-O 2.97Å; S42-I44 PolarHBondContact O-N 3.07Å
43V98.2Very high97.7Very high10 Ų1040.4 Ų40.46%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-87.1110.3-176.9-1790000108.8V9 L11 R32 L35 E36 W79V9-V43 HydrophobicContact CB-CG2 4.37Å; V9-V43 WeakPolarHBondContact O-CA 3.32Å; L11-V43 HydrophobicContact CD1-CG1 3.89Å; L11-V43 HydrophobicContact CG-CG1 3.96Å; R32-V43 HydrophobicContact CB-CB 4.28Å; R32-V43 HydrophobicContact CB-CG1 4.4Å; R32-V43 HydrophobicContact CB-CG2 4.32Å; R32-V43 HydrophobicContact CG-CB 3.88Å; R32-V43 HydrophobicContact CG-CG1 4.39Å; R32-V43 HydrophobicContact CG-CG2 4.19Å; L35-V43 HydrophobicContact CB-CG2 3.98Å; L35-V43 HydrophobicContact CD1-CG2 3.82Å; E36-V43 HydrophobicContact CG-CG2 4.31Å; E36-V43 PolarHBondContact OE1-N 2.79Å; V43-W79 HydrophobicContact CG1-CE3 4.08Å; V43-W79 HydrophobicContact CG1-CH2 4.26Å; V43-W79 HydrophobicContact CG1-CZ3 3.52Å
44I97.5Very high97.7Very high73 Ų7338 Ų3837%0.37421%0.21SC..EExtended strand (participates in β ladder)trans-96.1-18.1-171.660.4162.8000113.2K8 V9 V10 S42 P144K8-I44 HydrophobicContact CB-CD1 4.11Å; K8-I44 HydrophobicContact CB-CG1 4.42Å; K8-I44 HydrophobicContact CB-CG2 4.17Å; K8-I44 HydrophobicContact CD-CD1 4.37Å; K8-I44 HydrophobicContact CD-CG2 4.42Å; K8-I44 HydrophobicContact CG-CG2 4.07Å; V9-I44 WeakPolarHBondContact O-CG1 3.47Å; V9-I44 PolarHBondContact O-N 3.26Å; V10-I44 HydrophobicContact CG2-CD1 4.11Å; V10-I44 HydrophobicContact CG2-CG1 3.94Å; S42-I44 PolarHBondContact O-N 3.07Å; I44-P144 HydrophobicContact CD1-CB 3.97Å; I44-P144 HydrophobicContact CD1-CG 3.79Å
45K98.4Very high97.7Very high53 Ų5337.3 Ų37.323%0.2321%0.205CC..EExtended strand (participates in β ladder)trans-162.6144.8-177.4-169.6173.8-177.1-171.50112.6V10 L11 I47 T81V10-K45 CarbonylContact C-O 3.56Å; V10-K45 WeakPolarHBondContact CA-O 3.43Å; V10-K45 HydrophobicContact CG1-CB 4.12Å; V10-K45 HydrophobicContact CG2-CB 4.16Å; L11-K45 PolarHBondContact N-O 2.89Å; K45-I47 HydrophobicContact CD-CG1 4.31Å; K45-I47 HydrophobicContact CG-CG1 4.35Å; K45-T81 WeakPolarHBondContact CE-OG1 3.32Å; K45-T81 PolarHBondContact NZ-OG1 3.28Å
46G98.8Very high97.7Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-111.8141.1165.700000111.2L11 W79 I80 T81L11-G46 CarbonylContact O-C 3.33Å; L11-G46 WeakPolarHBondContact O-CA 3.29Å; G46-W79 VanDerWaalsContact N-CE3 3.31Å; G46-W79 PolarHBondContact N-O 3.33Å; G46-I80 WeakPolarHBondContact O-CA 3.15Å; G46-T81 PolarHBondContact O-N 3.24Å; G46-T81 PolarHBondContact O-OG1 3.11Å
47I98.9Very high97.6Very high6 Ų641.8 Ų41.83%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-127.9120.8177.3-56.3176000108.6V10 L11 L12 A13 K45 T81 D83V10-I47 HydrophobicContact CG1-CD1 3.8Å; V10-I47 HydrophobicContact CG1-CG1 4.09Å; L11-I47 PolarHBondContact O-N 3.44Å; L12-I47 CarbonylContact C-O 3.48Å; L12-I47 WeakPolarHBondContact CA-O 3.49Å; L12-I47 HydrophobicContact CD1-CB 3.86Å; L12-I47 HydrophobicContact CD1-CG2 3.7Å; A13-I47 PolarHBondContact N-O 2.93Å; K45-I47 HydrophobicContact CD-CG1 4.31Å; K45-I47 HydrophobicContact CG-CG1 4.35Å; I47-T81 CarbonylContact C-O 3.59Å; I47-T81 WeakPolarHBondContact CA-O 3.43Å; I47-D83 HydrophobicContact CG2-CB 3.76Å
48I98.9Very high97.7Very high0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-93121.3167-65.8-179.1000107.3F17 I20 L25 F28 P50 A70 T74 I80 T81 V82 D83F17-I48 HydrophobicContact CD1-CG2 4.23Å; F17-I48 HydrophobicContact CD2-CG2 3.92Å; F17-I48 HydrophobicContact CE1-CG2 3.97Å; F17-I48 HydrophobicContact CE2-CG2 3.65Å; F17-I48 HydrophobicContact CG-CG2 4.21Å; F17-I48 HydrophobicContact CZ-CG2 3.68Å; I20-I48 HydrophobicContact CD1-CD1 3.59Å; L25-I48 HydrophobicContact CD2-CD1 4.39Å; F28-I48 HydrophobicContact CE2-CD1 4.04Å; F28-I48 HydrophobicContact CE2-CG1 3.54Å; F28-I48 HydrophobicContact CZ-CG1 3.62Å; I48-P50 HydrophobicContact CG2-CG 4.29Å; I48-P50 WeakPolarHBondContact O-CD 3.43Å; I48-A70 HydrophobicContact CG2-CB 4.09Å; I48-T74 HydrophobicContact CD1-CG2 3.74Å; I48-I80 HydrophobicContact CD1-CG2 3.94Å; I48-I80 HydrophobicContact CG1-CG2 3.95Å; I48-T81 PolarHBondContact N-O 2.92Å; I48-V82 HydrophobicContact CB-CG2 4.28Å; I48-V82 WeakPolarHBondContact O-CA 3.35Å; I48-D83 PolarHBondContact O-N 2.82Å
49S98.9Very high97.8Very high0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-116.298.2176.8-176.80000109.9A13 C14 G15 E86A13-S49 PolarHBondContact O-N 3.13Å; C14-S49 WeakPolarHBondContact CA-O 3.39Å; G15-S49 PolarHBondContact N-O 2.92Å; S49-E86 WeakPolarHBondContact CB-OE2 3.23Å; S49-E86 WeakPolarHBondContact OG-CB 3.38Å; S49-E86 PolarHBondContact OG-OE2 3.2Å
50P98.9Very high98Very high0 Ų035.5 Ų35.50%017%0.172CC..EExtended strand (participates in β ladder)trans-68.5131.5174.9-21.735.8000111.8G15 F17 I48 V67 A70 V82 D83 S87G15-P50 WeakPolarHBondContact O-CA 3.26Å; F17-P50 HydrophobicContact CD2-CB 4.21Å; F17-P50 HydrophobicContact CD2-CG 4.2Å; I48-P50 HydrophobicContact CG2-CG 4.29Å; I48-P50 WeakPolarHBondContact O-CD 3.43Å; P50-V67 HydrophobicContact CB-CG2 4.07Å; P50-V67 HydrophobicContact CG-CG2 3.92Å; P50-A70 HydrophobicContact CG-CB 4.42Å; P50-V82 HydrophobicContact CG-CG1 4.23Å; P50-D83 WeakPolarHBondContact CD-O 3.36Å; P50-S87 VanDerWaalsContact O-CB 3.27Å; P50-S87 WeakPolarHBondContact O-CB 3.32Å; P50-S87 PolarHBondContact O-N 3.02Å
51V98.8Very high98.2Very high6 Ų629.8 Ų29.84%0.03615%0.145CC..PPolyproline II helixtrans-60.4148.2176.974.90000111.8G15 Y55 L60 R66 E86G15-V51 PolarHBondContact O-N 3.28Å; V51-Y55 HydrophobicContact CG1-CD1 3.86Å; V51-Y55 HydrophobicContact CG1-CG 4.33Å; V51-Y55 HydrophobicContact CG2-CD1 4.03Å; V51-Y55 HydrophobicContact CG2-CD2 4.26Å; V51-Y55 HydrophobicContact CG2-CG 3.75Å; V51-L60 HydrophobicContact CG1-CD2 4.25Å; V51-R66 PolarHBondContact O-NH1 3.44Å; V51-R66 PolarHBondContact O-NH2 3.08Å; V51-E86 VanDerWaalsContact CA-OE1 3.27Å; V51-E86 WeakPolarHBondContact CA-OE1 3.47Å; V51-E86 WeakPolarHBondContact CG2-OE1 3.47Å
52G98.5Very high98.3Very high4 Ų432.2 Ų32.24%0.04116%0.158CC..PPolyproline II helixtrans-69.8159.8172.500000114.4A54 Y55G52-A54 PolarHBondContact O-N 2.9Å; G52-Y55 VanDerWaalsContact O-CB 3.25Å; G52-Y55 WeakPolarHBondContact O-CB 3.32Å; G52-Y55 PolarHBondContact O-N 2.81Å; G52-Y55 VanDerWaalsContact O-N 3.1Å
53D98.5Very high98.3Very high53 Ų5330.6 Ų30.628%0.28315%0.147SC..G310 helixtrans-69.3-18.9-178.8-67.6-23.9000113.2Y55 K56 E62 A63 R66D53-Y55 PolarHBondContact O-N 2.9Å; D53-Y55 VanDerWaalsContact O-N 3.16Å; D53-K56 PolarHBondContact O-N 2.77Å; D53-E62 WeakPolarHBondContact OD2-CA 3.26Å; D53-A63 VanDerWaalsContact CG-N 3.25Å; D53-A63 WeakPolarHBondContact OD1-CB 3.35Å; D53-A63 PolarHBondContact OD1-N 3.43Å; D53-A63 PolarHBondContact OD2-N 2.92Å; D53-R66 IonicContact OD1-CZ 3.14Å; D53-R66 IonicContact OD1-NH2 3.98Å; D53-R66 PolarHBondContact OD1-NH2 2.89Å
54A97.8Very high98.4Very high22 Ų2234 Ų3418%0.18217%0.171CC..G310 helixtrans-64.4-9170.600000113.4G52 K56 W92 A263G52-A54 PolarHBondContact O-N 2.9Å; A54-K56 WeakPolarHBondContact O-CG 3.45Å; A54-K56 PolarHBondContact O-N 3.2Å; A54-W92 HydrophobicContact CB-CB 4.33Å; A54-W92 VanDerWaalsContact CB-N 3.3Å; A54-A263 WeakPolarHBondContact O-CB 3.27Å
55Y97.6Very high98.4Very high47 Ų4732.4 Ų32.418%0.18416%0.162CC..G310 helixtrans-65.4-23.6173.4-174.6-135.6000113.7V51 G52 D53 K57 L60 W92 L262 A263 P264V51-Y55 HydrophobicContact CG1-CD1 3.86Å; V51-Y55 HydrophobicContact CG1-CG 4.33Å; V51-Y55 HydrophobicContact CG2-CD1 4.03Å; V51-Y55 HydrophobicContact CG2-CD2 4.26Å; V51-Y55 HydrophobicContact CG2-CG 3.75Å; G52-Y55 VanDerWaalsContact O-CB 3.25Å; G52-Y55 WeakPolarHBondContact O-CB 3.32Å; G52-Y55 PolarHBondContact O-N 2.81Å; G52-Y55 VanDerWaalsContact O-N 3.1Å; D53-Y55 PolarHBondContact O-N 2.9Å; D53-Y55 VanDerWaalsContact O-N 3.16Å; Y55-K57 HydrophobicContact CD1-CB 3.63Å; Y55-K57 HydrophobicContact CD1-CD 4.33Å; Y55-K57 HydrophobicContact CE1-CB 3.78Å; Y55-K57 HydrophobicContact CE1-CD 3.77Å; Y55-K57 HydrophobicContact CE1-CG 4.35Å; Y55-K57 PolarHBondContact O-N 3.38Å; Y55-K57 VanDerWaalsContact O-N 3.15Å; Y55-L60 HydrophobicContact CD1-CD2 4.3Å; Y55-W92 AromaticContact CD2-CD1 3.5Å; Y55-W92 VanDerWaalsContact CD2-CD1 3.5Å; Y55-W92 HydrophobicContact CD2-CG 4.18Å; Y55-W92 AromaticContact CD2-NE1 3.56Å; Y55-W92 AromaticContact CE2-NE1 3.98Å; Y55-L262 HydrophobicContact CD1-CD1 4.26Å; Y55-L262 HydrophobicContact CD2-CD1 4.2Å; Y55-L262 HydrophobicContact CD2-CG 4.25Å; Y55-L262 HydrophobicContact CE1-CD1 4.01Å; Y55-L262 HydrophobicContact CE2-CD1 3.94Å; Y55-L262 HydrophobicContact CE2-CD2 3.82Å; Y55-L262 HydrophobicContact CE2-CG 3.8Å; Y55-L262 HydrophobicContact CG-CD1 4.35Å; Y55-L262 WeakPolarHBondContact O-CD1 3.42Å; Y55-A263 PolarHBondContact O-N 2.92Å; Y55-P264 HydrophobicContact CD2-CG 4.5Å; Y55-P264 HydrophobicContact CE2-CG 3.93Å
56K97.3Very high98.4Very high81 Ų8129.9 Ų29.935%0.35215%0.151SC..  trans56.625.8177.1-54-53.3-179.9-175.50115.5D53 A54 K58 N257 V260D53-K56 PolarHBondContact O-N 2.77Å; A54-K56 WeakPolarHBondContact O-CG 3.45Å; A54-K56 PolarHBondContact O-N 3.2Å; K56-K58 PolarHBondContact O-N 3.32Å; K56-N257 WeakPolarHBondContact O-CB 3.37Å; K56-V260 HydrophobicContact CB-CB 4.41Å; K56-V260 HydrophobicContact CB-CG1 3.69Å; K56-V260 HydrophobicContact CD-CG1 4.43Å; K56-V260 HydrophobicContact CG-CG1 3.9Å
57K97.6Very high98.4Very high89 Ų8930.2 Ų30.239%0.38715%0.153SC..  trans-63.4137.4173.1-176.6170179.1172.50110.6S16 Y55 G59 L60 N257 L262S16-K57 WeakPolarHBondContact OG-CD 3.41Å; S16-K57 PolarHBondContact OG-NZ 2.82Å; Y55-K57 HydrophobicContact CD1-CB 3.63Å; Y55-K57 HydrophobicContact CD1-CD 4.33Å; Y55-K57 HydrophobicContact CE1-CB 3.78Å; Y55-K57 HydrophobicContact CE1-CD 3.77Å; Y55-K57 HydrophobicContact CE1-CG 4.35Å; Y55-K57 PolarHBondContact O-N 3.38Å; Y55-K57 VanDerWaalsContact O-N 3.15Å; K57-G59 PolarHBondContact O-N 3.18Å; K57-L60 HydrophobicContact CB-CB 4.16Å; K57-L60 HydrophobicContact CB-CD2 4.32Å; K57-L60 WeakPolarHBondContact O-CB 3.49Å; K57-L60 PolarHBondContact O-N 2.97Å; K57-L60 VanDerWaalsContact O-N 3.14Å; K57-N257 PolarHBondContact O-ND2 2.86Å; K57-N257 VanDerWaalsContact O-ND2 3.08Å; K57-L262 HydrophobicContact CB-CD1 3.7Å; K57-L262 HydrophobicContact CG-CD1 4.3Å
58K98Very high98.4Very high105 Ų10532.9 Ų32.946%0.45717%0.166SC..THydrogen-bonded Turntrans-54.9131.8173.3-178.5173.2-177.2166.30111K56 L60 K256 A258K56-K58 PolarHBondContact O-N 3.32Å; K58-L60 VanDerWaalsContact C-N 3.26Å; K58-L60 PolarHBondContact O-N 3.48Å; K58-K256 CarbonylContact C-O 3.57Å; K58-K256 WeakPolarHBondContact CA-O 3.47Å; K58-A258 HydrophobicContact CD-CB 4.37Å
59G98Very high98.4Very high0 Ų032.9 Ų32.90%017%0.166CC..THydrogen-bonded Turntrans74.77.517900000115.3N18 K57 I61 S253 K256N18-G59 PolarHBondContact ND2-O 3.09Å; K57-G59 PolarHBondContact O-N 3.18Å; G59-I61 PolarHBondContact O-N 3.45Å; G59-S253 VanDerWaalsContact CA-O 3.31Å; G59-S253 WeakPolarHBondContact CA-O 3.33Å; G59-K256 PolarHBondContact N-O 3.31Å
60L98.5Very high98.4Very high2 Ų232.9 Ų32.91%0.0117%0.166CC..  trans-74.7108.2-178.8-170.768.5000111.1N18 V51 Y55 K57 K58 K256N18-L60 HydrophobicContact CB-CD1 4.08Å; V51-L60 HydrophobicContact CG1-CD2 4.25Å; Y55-L60 HydrophobicContact CD1-CD2 4.3Å; K57-L60 HydrophobicContact CB-CB 4.16Å; K57-L60 HydrophobicContact CB-CD2 4.32Å; K57-L60 WeakPolarHBondContact O-CB 3.49Å; K57-L60 PolarHBondContact O-N 2.97Å; K57-L60 VanDerWaalsContact O-N 3.14Å; K58-L60 VanDerWaalsContact C-N 3.26Å; K58-L60 PolarHBondContact O-N 3.48Å; L60-K256 VanDerWaalsContact O-CD 3.24Å; L60-K256 WeakPolarHBondContact O-CD 3.34Å; L60-K256 WeakPolarHBondContact O-CE 3.24Å; L60-K256 PolarHBondContact O-NZ 3.41Å
61I98.6Very high98.4Very high3 Ų338.2 Ų38.22%0.01519%0.186CC..  trans-72168.7172.977.7178.1000110.7N18 G59 H65 R66 M69 L248 Y249N18-I61 WeakPolarHBondContact OD1-CG1 3.37Å; G59-I61 PolarHBondContact O-N 3.45Å; I61-H65 HydrophobicContact CD1-CB 3.88Å; I61-H65 HydrophobicContact CG1-CB 4.4Å; I61-R66 HydrophobicContact CD1-CG 4.24Å; I61-R66 HydrophobicContact CG1-CG 3.73Å; I61-R66 PolarHBondContact O-NE 2.85Å; I61-M69 HydrophobicContact CD1-CE 3.92Å; I61-L248 HydrophobicContact CD1-CB 4.08Å; I61-L248 HydrophobicContact CD1-CD1 4.04Å; I61-L248 HydrophobicContact CD1-CG 4.45Å; I61-Y249 HydrophobicContact CD1-CE1 3.94Å; I61-Y249 HydrophobicContact CD1-CE2 4.38Å; I61-Y249 WeakPolarHBondContact CD1-OH 3.39Å; I61-Y249 HydrophobicContact CG1-CE1 4.47Å; I61-Y249 HydrophobicContact CG2-CD1 4.2Å; I61-Y249 HydrophobicContact CG2-CE1 3.79Å
62E98.7Very high98.4Very high80 Ų8039.8 Ų39.837%0.37419%0.193SC..  trans-50.7138.8-177.9-64.265.1-143.500112.3D53 S64 H65 R66 K256D53-E62 WeakPolarHBondContact OD2-CA 3.26Å; E62-S64 VanDerWaalsContact C-N 3.25Å; E62-S64 PolarHBondContact O-N 3.04Å; E62-H65 PolarHBondContact O-N 3.32Å; E62-H65 IonicContact OE2-CD2 3.87Å; E62-R66 PolarHBondContact O-N 2.84Å; E62-K256 VanDerWaalsContact CD-NZ 3.33Å; E62-K256 IonicContact OE1-NZ 3.57Å; E62-K256 PolarHBondContact OE1-NZ 3.49Å; E62-K256 IonicContact OE2-NZ 3.09Å
63A98.7Very high98.5Very high8 Ų840 Ų407%0.06620%0.195CC..Hα-helixtrans-58.3-37.8-179.800000112.5D53 H65 R66 V67D53-A63 VanDerWaalsContact CG-N 3.25Å; D53-A63 WeakPolarHBondContact OD1-CB 3.35Å; D53-A63 PolarHBondContact OD1-N 3.43Å; D53-A63 PolarHBondContact OD2-N 2.92Å; A63-H65 VanDerWaalsContact C-N 3.33Å; A63-H65 PolarHBondContact O-N 2.84Å; A63-R66 VanDerWaalsContact CA-NH2 3.3Å; A63-R66 PolarHBondContact O-N 3.14Å; A63-R66 VanDerWaalsContact O-N 3.12Å; A63-V67 WeakPolarHBondContact O-CB 3.45Å; A63-V67 VanDerWaalsContact O-CG2 3.3Å; A63-V67 WeakPolarHBondContact O-CG2 3.46Å; A63-V67 PolarHBondContact O-N 3.01Å
64S98.7Very high98.5Very high81 Ų8138 Ų3857%0.56619%0.185SC*.Hα-helixtrans-55.3-46.2177.953.30000112.2E62 E68E62-S64 VanDerWaalsContact C-N 3.25Å; E62-S64 PolarHBondContact O-N 3.04Å; S64-E68 WeakPolarHBondContact O-CB 3.16Å; S64-E68 PolarHBondContact O-N 3.29Å
65H98.8Very high98.4Very high41 Ų4144.5 Ų44.519%0.1921%0.211CC..Hα-helixtrans-65.9-40.2177.3-69.3-49.5000112.1I61 E62 A63 E68 M69 Y242 L248I61-H65 HydrophobicContact CD1-CB 3.88Å; I61-H65 HydrophobicContact CG1-CB 4.4Å; E62-H65 PolarHBondContact O-N 3.32Å; E62-H65 IonicContact OE2-CD2 3.87Å; A63-H65 VanDerWaalsContact C-N 3.33Å; A63-H65 PolarHBondContact O-N 2.84Å; H65-E68 PolarHBondContact O-N 3.39Å; H65-M69 WeakPolarHBondContact O-CB 3.44Å; H65-M69 WeakPolarHBondContact O-CE 3.38Å; H65-M69 VanDerWaalsContact O-CG 3.29Å; H65-M69 WeakPolarHBondContact O-CG 3.4Å; H65-M69 PolarHBondContact O-N 3.36Å; H65-Y242 HydrophobicContact CB-CE1 4.26Å; H65-Y242 AromaticContact ND1-CE1 3.79Å; H65-Y242 AromaticContact ND1-CZ 3.7Å; H65-Y242 PolarHBondContact ND1-OH 3.44Å; H65-L248 HydrophobicContact CB-CD1 4.14Å; H65-L248 HydrophobicContact CB-CD2 4.3Å
66R98.9Very high98.4Very high0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-70.2-40.3-178.4-63.1-178.7-66.6100.8-1.8112S16 V51 D53 I61 E62 A63 M69 A70S16-R66 VanDerWaalsContact O-CD 3.31Å; S16-R66 WeakPolarHBondContact O-CD 3.3Å; S16-R66 PolarHBondContact O-NH1 3.47Å; V51-R66 PolarHBondContact O-NH1 3.44Å; V51-R66 PolarHBondContact O-NH2 3.08Å; D53-R66 IonicContact OD1-CZ 3.14Å; D53-R66 IonicContact OD1-NH2 3.98Å; D53-R66 PolarHBondContact OD1-NH2 2.89Å; I61-R66 HydrophobicContact CD1-CG 4.24Å; I61-R66 HydrophobicContact CG1-CG 3.73Å; I61-R66 PolarHBondContact O-NE 2.85Å; E62-R66 PolarHBondContact O-N 2.84Å; A63-R66 VanDerWaalsContact CA-NH2 3.3Å; A63-R66 PolarHBondContact O-N 3.14Å; A63-R66 VanDerWaalsContact O-N 3.12Å; R66-M69 HydrophobicContact CG-CE 4.18Å; R66-A70 WeakPolarHBondContact O-CB 3.29Å; R66-A70 PolarHBondContact O-N 3.28Å
67V98.9Very high98.4Very high7 Ų745.7 Ų45.74%0.04224%0.237CC..Hα-helixtrans-61.6-45.6172.2170.50000110.4P50 A63 A70 R71 V82 S87P50-V67 HydrophobicContact CB-CG2 4.07Å; P50-V67 HydrophobicContact CG-CG2 3.92Å; A63-V67 WeakPolarHBondContact O-CB 3.45Å; A63-V67 VanDerWaalsContact O-CG2 3.3Å; A63-V67 WeakPolarHBondContact O-CG2 3.46Å; A63-V67 PolarHBondContact O-N 3.01Å; V67-A70 WeakPolarHBondContact O-CB 3.43Å; V67-A70 PolarHBondContact O-N 3.35Å; V67-R71 WeakPolarHBondContact O-CG 3.4Å; V67-R71 PolarHBondContact O-N 2.78Å; V67-V82 HydrophobicContact CG1-CG1 4.29Å; V67-S87 WeakPolarHBondContact CG2-OG 3.47Å
68E98.9Very high98.4Very high62 Ų6251.1 Ų51.129%0.2926%0.263SS..Hα-helixtrans-66.4-45.1-179.3-171.256.9-160.200112.3S64 H65 A70 R71 L72 Y242S64-E68 WeakPolarHBondContact O-CB 3.16Å; S64-E68 PolarHBondContact O-N 3.29Å; H65-E68 PolarHBondContact O-N 3.39Å; E68-A70 VanDerWaalsContact C-N 3.26Å; E68-A70 PolarHBondContact O-N 2.83Å; E68-R71 PolarHBondContact O-N 3.23Å; E68-R71 VanDerWaalsContact O-N 3.1Å; E68-R71 IonicContact OE2-NH1 3.48Å; E68-L72 HydrophobicContact CG-CD1 4.34Å; E68-L72 WeakPolarHBondContact O-CG 3.24Å; E68-L72 PolarHBondContact O-N 3.08Å; E68-Y242 HydrophobicContact CB-CE2 4.33Å; E68-Y242 HydrophobicContact CG-CD2 4.33Å; E68-Y242 HydrophobicContact CG-CE2 3.64Å
69M98.9Very high98.5Very high0 Ų047.3 Ų47.30%025%0.246CC..Hα-helixtrans-59-38.5172.9-73.3-173.5-66.200112.2P19 I20 I61 H65 R66 A73 V239 Y242 V243 L248 Y249P19-M69 HydrophobicContact CB-CE 3.87Å; P19-M69 HydrophobicContact CB-SD 3.75Å; I20-M69 HydrophobicContact CG2-CB 4.16Å; I61-M69 HydrophobicContact CD1-CE 3.92Å; H65-M69 WeakPolarHBondContact O-CB 3.44Å; H65-M69 WeakPolarHBondContact O-CE 3.38Å; H65-M69 VanDerWaalsContact O-CG 3.29Å; H65-M69 WeakPolarHBondContact O-CG 3.4Å; H65-M69 PolarHBondContact O-N 3.36Å; R66-M69 HydrophobicContact CG-CE 4.18Å; M69-A73 VanDerWaalsContact O-CB 3.26Å; M69-A73 WeakPolarHBondContact O-CB 3.48Å; M69-A73 PolarHBondContact O-N 2.87Å; M69-V239 HydrophobicContact CB-CG1 4.02Å; M69-V239 HydrophobicContact CB-CG2 4.49Å; M69-V239 HydrophobicContact CG-CG1 3.93Å; M69-V239 VanDerWaalsContact O-CG2 3.32Å; M69-V239 WeakPolarHBondContact O-CG2 3.11Å; M69-V239 HydrophobicContact SD-CG1 3.9Å; M69-Y242 HydrophobicContact CG-CD1 3.43Å; M69-Y242 VanDerWaalsContact CG-CD1 3.43Å; M69-Y242 HydrophobicContact CG-CE1 3.83Å; M69-Y242 HydrophobicContact CG-CG 4.32Å; M69-Y242 HydrophobicContact SD-CD1 4.19Å; M69-V243 HydrophobicContact SD-CG2 3.47Å; M69-V243 WeakPolarHBondContact SD-CG2 3.49Å; M69-L248 HydrophobicContact CE-CD1 4.23Å; M69-L248 HydrophobicContact SD-CD1 3.98Å; M69-Y249 WeakPolarHBondContact CE-OH 3.21Å
70A98.9Very high98.5Very high0 Ų047.7 Ų47.70%025%0.248CC..Hα-helixtrans-64-42.217500000111.6I20 I48 P50 R66 V67 E68 A73 T74 V82I20-A70 HydrophobicContact CD1-CB 4.2Å; I48-A70 HydrophobicContact CG2-CB 4.09Å; P50-A70 HydrophobicContact CG-CB 4.42Å; R66-A70 WeakPolarHBondContact O-CB 3.29Å; R66-A70 PolarHBondContact O-N 3.28Å; V67-A70 WeakPolarHBondContact O-CB 3.43Å; V67-A70 PolarHBondContact O-N 3.35Å; E68-A70 VanDerWaalsContact C-N 3.26Å; E68-A70 PolarHBondContact O-N 2.83Å; A70-A73 WeakPolarHBondContact O-CB 3.33Å; A70-A73 PolarHBondContact O-N 3.28Å; A70-T74 PolarHBondContact O-N 3.41Å; A70-T74 VanDerWaalsContact O-N 3.1Å; A70-T74 PolarHBondContact O-OG1 2.79Å; A70-T74 VanDerWaalsContact O-OG1 3.11Å; A70-V82 VanDerWaalsContact C-CG2 3.47Å; A70-V82 HydrophobicContact CB-CG1 4Å; A70-V82 HydrophobicContact CB-CG2 3.64Å
71R98.8Very high98.5Very high112 Ų11250.1 Ų50.142%0.42326%0.263SS..Hα-helixtrans-63.4-46.9177.5-72.7175.8-177.5152.8-0.9111.5V67 E68 A73 T74 E75 V82V67-R71 WeakPolarHBondContact O-CG 3.4Å; V67-R71 PolarHBondContact O-N 2.78Å; E68-R71 PolarHBondContact O-N 3.23Å; E68-R71 VanDerWaalsContact O-N 3.1Å; E68-R71 IonicContact OE2-NH1 3.48Å; R71-A73 PolarHBondContact O-N 3.1Å; R71-T74 CarbonylContact O-C 3.59Å; R71-T74 PolarHBondContact O-N 2.8Å; R71-T74 VanDerWaalsContact O-N 3.14Å; R71-T74 PolarHBondContact O-OG1 3.4Å; R71-E75 PolarHBondContact O-N 2.97Å; R71-V82 HydrophobicContact CG-CB 3.97Å; R71-V82 HydrophobicContact CG-CG1 4.36Å; R71-V82 HydrophobicContact CG-CG2 4.07Å
72L98.8Very high98.5Very high38 Ų3851.3 Ų51.320%0.19927%0.27CS..Hα-helixtrans-60.3-33.5175.4-70.4173.5000112.5E68 S238 V239 Y242E68-L72 HydrophobicContact CG-CD1 4.34Å; E68-L72 WeakPolarHBondContact O-CG 3.24Å; E68-L72 PolarHBondContact O-N 3.08Å; L72-S238 PolarHBondContact O-OG 2.84Å; L72-V239 HydrophobicContact CB-CG2 4.27Å; L72-Y242 HydrophobicContact CD1-CD2 3.74Å; L72-Y242 HydrophobicContact CD1-CG 3.83Å
73A98.8Very high98.5Very high8 Ų849.2 Ų49.27%0.06626%0.262CS..Hα-helixtrans-73.1-28.9177.400000113.2I20 L25 M69 A70 R71 P236 V239I20-A73 HydrophobicContact CD1-CB 3.89Å; I20-A73 HydrophobicContact CG1-CB 4.4Å; I20-A73 HydrophobicContact CG2-CB 3.75Å; L25-A73 HydrophobicContact CD1-CB 4.35Å; L25-A73 HydrophobicContact CD2-CB 4.39Å; M69-A73 VanDerWaalsContact O-CB 3.26Å; M69-A73 WeakPolarHBondContact O-CB 3.48Å; M69-A73 PolarHBondContact O-N 2.87Å; A70-A73 WeakPolarHBondContact O-CB 3.33Å; A70-A73 PolarHBondContact O-N 3.28Å; R71-A73 PolarHBondContact O-N 3.1Å; A73-P236 HydrophobicContact CB-CG 3.87Å; A73-V239 HydrophobicContact CB-CG2 3.86Å
74T98.6Very high98.5Very high13 Ų1349.7 Ų49.78%0.0827%0.265CS..Hα-helixtrans-103.14.4-177.959.30000113.5L25 I48 A70 R71 S76 S77 I80 V82L25-T74 HydrophobicContact CD2-CG2 3.98Å; I48-T74 HydrophobicContact CD1-CG2 3.74Å; A70-T74 PolarHBondContact O-N 3.41Å; A70-T74 VanDerWaalsContact O-N 3.1Å; A70-T74 PolarHBondContact O-OG1 2.79Å; A70-T74 VanDerWaalsContact O-OG1 3.11Å; R71-T74 CarbonylContact O-C 3.59Å; R71-T74 PolarHBondContact O-N 2.8Å; R71-T74 VanDerWaalsContact O-N 3.14Å; R71-T74 PolarHBondContact O-OG1 3.4Å; T74-S76 PolarHBondContact O-N 2.82Å; T74-S77 WeakPolarHBondContact O-CB 3.47Å; T74-S77 PolarHBondContact O-N 2.92Å; T74-I80 HydrophobicContact CG2-CB 4.24Å; T74-I80 HydrophobicContact CG2-CG2 3.76Å; T74-V82 HydrophobicContact CG2-CG2 4.45Å
75E97.5Very high98.5Very high157 Ų15749 Ų4973%0.73425%0.25SS*.THydrogen-bonded Turntrans-55.6-37.3-176.7-175.9178.1-136.900112.8R71R71-E75 PolarHBondContact O-N 2.97Å
76S96.4Very high98.5Very high121 Ų12147.5 Ų47.585%0.84624%0.243SC*.THydrogen-bonded Turntrans-89.63.2177.668.90000114.1T74T74-S76 PolarHBondContact O-N 2.82Å
77S98.3Very high98.5Very high33 Ų3348.3 Ų48.323%0.23125%0.249CC..  trans-88.3132.3179.5-172.90000110.5T74 W79 I80T74-S77 WeakPolarHBondContact O-CB 3.47Å; T74-S77 PolarHBondContact O-N 2.92Å; S77-W79 PolarHBondContact OG-N 3.1Å; S77-I80 WeakPolarHBondContact OG-CB 3.43Å; S77-I80 WeakPolarHBondContact OG-CG1 3.32Å; S77-I80 PolarHBondContact OG-N 3.14Å; S77-I80 VanDerWaalsContact OG-N 3.08Å
78E97.8Very high98.5Very high202 Ų20254.6 Ų54.694%0.94428%0.278SS*.SBendtrans-83.4-13.7177.9-60.4-176.5142.400113.2
79W98.6Very high98.5Very high26 Ų2654.7 Ų54.710%0.09828%0.278CS..SBendtrans-134.2-17.5-168.875.8-79.3000114.5L11 F28 E29 R32 V43 G46 S77L11-W79 HydrophobicContact CD1-CH2 4.11Å; L11-W79 HydrophobicContact CD1-CZ3 4.2Å; F28-W79 HydrophobicContact CB-CH2 3.68Å; F28-W79 HydrophobicContact CB-CZ2 3.73Å; F28-W79 AromaticContact CD1-CH2 3.84Å; F28-W79 HydrophobicContact CD1-CH2 3.84Å; F28-W79 HydrophobicContact CD1-CZ3 4.15Å; F28-W79 HydrophobicContact CG-CH2 4.26Å; F28-W79 WeakPolarHBondContact O-CH2 3.12Å; E29-W79 PolarHBondContact OE1-NE1 2.96Å; R32-W79 HydrophobicContact CB-CH2 3.84Å; R32-W79 HydrophobicContact CB-CZ2 4.08Å; R32-W79 VanDerWaalsContact CZ-NE1 3.33Å; R32-W79 VanDerWaalsContact NH1-CD1 3.31Å; V43-W79 HydrophobicContact CG1-CE3 4.08Å; V43-W79 HydrophobicContact CG1-CH2 4.26Å; V43-W79 HydrophobicContact CG1-CZ3 3.52Å; G46-W79 VanDerWaalsContact N-CE3 3.31Å; G46-W79 PolarHBondContact N-O 3.33Å; S77-W79 PolarHBondContact OG-N 3.1Å
80I98.8Very high98.4Very high7 Ų759.6 Ų59.64%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-98.3127.6177.3-50.8170.1000108.8F28 G46 I48 T74 S77F28-I80 HydrophobicContact CB-CD1 3.51Å; F28-I80 HydrophobicContact CB-CG1 4.23Å; F28-I80 HydrophobicContact CD1-CD1 4.31Å; F28-I80 HydrophobicContact CD1-CG1 4.22Å; F28-I80 HydrophobicContact CD1-CG2 4.38Å; F28-I80 HydrophobicContact CD2-CD1 4.33Å; F28-I80 HydrophobicContact CE1-CG2 4.34Å; F28-I80 HydrophobicContact CE2-CG2 4.49Å; F28-I80 HydrophobicContact CG-CD1 3.82Å; F28-I80 HydrophobicContact CG-CG1 4.23Å; F28-I80 HydrophobicContact CG-CG2 4.47Å; F28-I80 HydrophobicContact CZ-CG2 4.38Å; G46-I80 WeakPolarHBondContact O-CA 3.15Å; I48-I80 HydrophobicContact CD1-CG2 3.94Å; I48-I80 HydrophobicContact CG1-CG2 3.95Å; T74-I80 HydrophobicContact CG2-CB 4.24Å; T74-I80 HydrophobicContact CG2-CG2 3.76Å; S77-I80 WeakPolarHBondContact OG-CB 3.43Å; S77-I80 WeakPolarHBondContact OG-CG1 3.32Å; S77-I80 PolarHBondContact OG-N 3.14Å; S77-I80 VanDerWaalsContact OG-N 3.08Å
81T98.5Very high98.3Very high54 Ų5465 Ų6533%0.33134%0.341SS..EExtended strand (participates in β ladder)trans-124.9162.5177.858.50000110.7K45 G46 I47 I48K45-T81 WeakPolarHBondContact CE-OG1 3.32Å; K45-T81 PolarHBondContact NZ-OG1 3.28Å; G46-T81 PolarHBondContact O-N 3.24Å; G46-T81 PolarHBondContact O-OG1 3.11Å; I47-T81 CarbonylContact C-O 3.59Å; I47-T81 WeakPolarHBondContact CA-O 3.43Å; I48-T81 PolarHBondContact N-O 2.92Å
82V98.9Very high98.3Very high27 Ų2761.2 Ų61.216%0.16433%0.327CS..EExtended strand (participates in β ladder)trans-107.3131.2173.8-175.90000109.4I48 P50 V67 A70 R71 T74I48-V82 HydrophobicContact CB-CG2 4.28Å; I48-V82 WeakPolarHBondContact O-CA 3.35Å; P50-V82 HydrophobicContact CG-CG1 4.23Å; V67-V82 HydrophobicContact CG1-CG1 4.29Å; A70-V82 VanDerWaalsContact C-CG2 3.47Å; A70-V82 HydrophobicContact CB-CG1 4Å; A70-V82 HydrophobicContact CB-CG2 3.64Å; R71-V82 HydrophobicContact CG-CB 3.97Å; R71-V82 HydrophobicContact CG-CG1 4.36Å; R71-V82 HydrophobicContact CG-CG2 4.07Å; T74-V82 HydrophobicContact CG2-CG2 4.45Å
83D98.8Very high98.2Very high36 Ų3660.3 Ų60.319%0.19332%0.323CS..  trans-110.5132.8170.1-158.6-64.8000110I47 I48 P50 W85 H102I47-D83 HydrophobicContact CG2-CB 3.76Å; I48-D83 PolarHBondContact O-N 2.82Å; P50-D83 WeakPolarHBondContact CD-O 3.36Å; D83-W85 WeakPolarHBondContact OD1-CB 3.38Å; D83-W85 PolarHBondContact OD1-N 3.27Å; D83-H102 IonicContact OD1-CE1 3.81Å; D83-H102 IonicContact OD2-CE1 3.49Å
84S98.6Very high98.2Very high19 Ų1960.1 Ų60.113%0.13332%0.32CS..  trans-99.80.4-177.157.80000113.5E86 S87 Q88S84-E86 PolarHBondContact O-N 2.75Å; S84-S87 WeakPolarHBondContact O-CB 3.38Å; S84-S87 PolarHBondContact O-N 2.92Å; S84-S87 VanDerWaalsContact O-N 3.09Å; S84-S87 PolarHBondContact O-OG 2.91Å; S84-Q88 VanDerWaalsContact O-CG 3.3Å; S84-Q88 WeakPolarHBondContact O-CG 3.41Å; S84-Q88 PolarHBondContact O-N 3.4Å; S84-Q88 PolarHBondContact OG-NE2 2.91Å
85W98.8Very high98.2Very high67 Ų6760.5 Ų60.525%0.25432%0.323SS..THydrogen-bonded Turntrans-55.1-50.4-174.9176.688.2000112.1D83 S87 Q88 Q89 V93 V98 H101D83-W85 WeakPolarHBondContact OD1-CB 3.38Å; D83-W85 PolarHBondContact OD1-N 3.27Å; W85-S87 VanDerWaalsContact C-N 3.27Å; W85-S87 PolarHBondContact O-N 3.1Å; W85-Q88 PolarHBondContact O-N 2.95Å; W85-Q89 WeakPolarHBondContact O-CG 3.43Å; W85-Q89 PolarHBondContact O-NE2 3.41Å; W85-V93 HydrophobicContact CH2-CG1 4.25Å; W85-V93 HydrophobicContact CZ3-CG1 4.26Å; W85-V98 HydrophobicContact CZ3-CB 4.42Å; W85-V98 HydrophobicContact CZ3-CG1 4.47Å; W85-V98 HydrophobicContact CZ3-CG2 4.19Å; W85-H101 AromaticContact CD1-CE1 3.52Å; W85-H101 AromaticContact CD1-NE2 3.41Å; W85-H101 HydrophobicContact CD2-CB 4.46Å; W85-H101 AromaticContact CD2-CD2 3.32Å; W85-H101 AromaticContact CD2-CE1 3.89Å; W85-H101 AromaticContact CD2-CG 3.67Å; W85-H101 AromaticContact CD2-NE2 3.48Å; W85-H101 AromaticContact CE2-CD2 3.77Å; W85-H101 AromaticContact CE2-CE1 3.71Å; W85-H101 AromaticContact CE2-CG 3.65Å; W85-H101 AromaticContact CE2-ND1 3.61Å; W85-H101 AromaticContact CE2-NE2 3.8Å; W85-H101 HydrophobicContact CE3-CB 4.18Å; W85-H101 AromaticContact CE3-CD2 3.52Å; W85-H101 AromaticContact CE3-CG 3.82Å; W85-H101 AromaticContact CG-CD2 3.6Å; W85-H101 AromaticContact CG-CE1 3.8Å; W85-H101 AromaticContact CG-NE2 3.25Å; W85-H101 HydrophobicContact CH2-CB 3.85Å; W85-H101 HydrophobicContact CZ2-CB 4.11Å; W85-H101 AromaticContact CZ2-CG 3.83Å; W85-H101 AromaticContact CZ2-ND1 3.89Å; W85-H101 HydrophobicContact CZ3-CB 3.89Å; W85-H101 AromaticContact CZ3-CG 4Å; W85-H101 AromaticContact NE1-CE1 3.44Å; W85-H101 PolarHBondContact NE1-CE1 2.96Å; W85-H101 AromaticContact NE1-ND1 3.74Å; W85-H101 AromaticContact NE1-NE2 3.72Å
86E98.7Very high98.2Very high9 Ų953.1 Ų53.14%0.04229%0.288CS..G310 helixtrans-57.9-41.9178.2-179.4-175.6171.400111.2S49 V51 S84 Q88 Q89 V98S49-E86 WeakPolarHBondContact CB-OE2 3.23Å; S49-E86 WeakPolarHBondContact OG-CB 3.38Å; S49-E86 PolarHBondContact OG-OE2 3.2Å; V51-E86 VanDerWaalsContact CA-OE1 3.27Å; V51-E86 WeakPolarHBondContact CA-OE1 3.47Å; V51-E86 WeakPolarHBondContact CG2-OE1 3.47Å; S84-E86 PolarHBondContact O-N 2.75Å; E86-Q88 VanDerWaalsContact C-N 3.27Å; E86-Q88 PolarHBondContact O-N 2.92Å; E86-Q89 PolarHBondContact O-N 2.87Å; E86-V98 HydrophobicContact CB-CG1 4.23Å; E86-V98 HydrophobicContact CB-CG2 4.23Å; E86-V98 HydrophobicContact CG-CG2 3.79Å
87S98.4Very high98.3Very high17 Ų1751 Ų5112%0.11926%0.264CS..G310 helixtrans-70.5-22.8-176.781.20000113.9P50 V67 S84 W85P50-S87 VanDerWaalsContact O-CB 3.27Å; P50-S87 WeakPolarHBondContact O-CB 3.32Å; P50-S87 PolarHBondContact O-N 3.02Å; V67-S87 WeakPolarHBondContact CG2-OG 3.47Å; S84-S87 WeakPolarHBondContact O-CB 3.38Å; S84-S87 PolarHBondContact O-N 2.92Å; S84-S87 VanDerWaalsContact O-N 3.09Å; S84-S87 PolarHBondContact O-OG 2.91Å; W85-S87 VanDerWaalsContact C-N 3.27Å; W85-S87 PolarHBondContact O-N 3.1Å
88Q98.4Very high98.3Very high139 Ų13949.5 Ų49.565%0.6525%0.253SS*.G310 helixtrans-90-5.7-177.7-74.1173.3-15.800113.2S84 W85 E86S84-Q88 VanDerWaalsContact O-CG 3.3Å; S84-Q88 WeakPolarHBondContact O-CG 3.41Å; S84-Q88 PolarHBondContact O-N 3.4Å; S84-Q88 PolarHBondContact OG-NE2 2.91Å; W85-Q88 PolarHBondContact O-N 2.95Å; E86-Q88 VanDerWaalsContact C-N 3.27Å; E86-Q88 PolarHBondContact O-N 2.92Å
89Q98.4Very high98.4Very high64 Ų6439.9 Ų39.930%0.29921%0.209SC..  trans-71.4142.9178-53.8-55.5-54.100110.8W85 E86 D91 V93W85-Q89 WeakPolarHBondContact O-CG 3.43Å; W85-Q89 PolarHBondContact O-NE2 3.41Å; E86-Q89 PolarHBondContact O-N 2.87Å; Q89-D91 VanDerWaalsContact C-N 3.3Å; Q89-D91 PolarHBondContact O-N 2.83Å; Q89-V93 HydrophobicContact CB-CG2 3.71Å; Q89-V93 HydrophobicContact CG-CG2 3.67Å
90S97.1Very high98.4Very high103 Ų10342.1 Ų42.172%0.7222%0.217SC*.SBendtrans-64.7-37178.952.80000112.4
91D97.4Very high98.3Very high113 Ų11343.5 Ų43.560%0.60422%0.223SC*.SBendtrans-114.4162.8-177-62.4-69.6000111.1Q89 V93Q89-D91 VanDerWaalsContact C-N 3.3Å; Q89-D91 PolarHBondContact O-N 2.83Å; D91-V93 PolarHBondContact O-N 3.07Å
92W97.9Very high98.3Very high33 Ų3341 Ų4113%0.12521%0.208CC..  trans-65.6133.3172.5169.666.6000110.3A54 Y55 E94 A263 P264 K267 Y268A54-W92 HydrophobicContact CB-CB 4.33Å; A54-W92 VanDerWaalsContact CB-N 3.3Å; Y55-W92 AromaticContact CD2-CD1 3.5Å; Y55-W92 VanDerWaalsContact CD2-CD1 3.5Å; Y55-W92 HydrophobicContact CD2-CG 4.18Å; Y55-W92 AromaticContact CD2-NE1 3.56Å; Y55-W92 AromaticContact CE2-NE1 3.98Å; W92-E94 HydrophobicContact CH2-CB 4.4Å; W92-E94 HydrophobicContact CH2-CG 3.76Å; W92-E94 HydrophobicContact CZ2-CG 4.39Å; W92-E94 HydrophobicContact CZ3-CG 4.06Å; W92-A263 HydrophobicContact CB-CB 3.53Å; W92-A263 HydrophobicContact CD2-CB 3.91Å; W92-A263 HydrophobicContact CE3-CB 4.02Å; W92-A263 HydrophobicContact CG-CB 3.68Å; W92-P264 HydrophobicContact CD2-CG 4.27Å; W92-P264 HydrophobicContact CE3-CG 4.31Å; W92-P264 HydrophobicContact CH2-CB 3.56Å; W92-P264 HydrophobicContact CH2-CG 3.59Å; W92-P264 HydrophobicContact CZ2-CB 4.06Å; W92-P264 HydrophobicContact CZ2-CG 3.55Å; W92-P264 HydrophobicContact CZ3-CB 3.85Å; W92-P264 HydrophobicContact CZ3-CG 3.99Å; W92-K267 HydrophobicContact CE3-CD 4.28Å; W92-K267 HydrophobicContact CZ3-CD 3.93Å; W92-Y268 HydrophobicContact CH2-CE2 4.29Å
93V97.9Very high98.2Very high18 Ų1840.8 Ų40.811%0.10920%0.204CC..  trans-108.5131.6-179.3-177.60000110.3W85 Q89 D91 K97 V98W85-V93 HydrophobicContact CH2-CG1 4.25Å; W85-V93 HydrophobicContact CZ3-CG1 4.26Å; Q89-V93 HydrophobicContact CB-CG2 3.71Å; Q89-V93 HydrophobicContact CG-CG2 3.67Å; D91-V93 PolarHBondContact O-N 3.07Å; V93-K97 HydrophobicContact CG1-CB 3.63Å; V93-K97 HydrophobicContact CG1-CD 4.27Å; V93-V98 HydrophobicContact CB-CG2 4.3Å; V93-V98 HydrophobicContact CG1-CG2 3.83Å
94E98.5Very high98Very high4 Ų445 Ų452%0.01922%0.222CC..  trans-60.6138.1173.4-62.290.8146.100111.2W92 S96 K97 V98 K267 Y268W92-E94 HydrophobicContact CH2-CB 4.4Å; W92-E94 HydrophobicContact CH2-CG 3.76Å; W92-E94 HydrophobicContact CZ2-CG 4.39Å; W92-E94 HydrophobicContact CZ3-CG 4.06Å; E94-S96 PolarHBondContact O-N 3.37Å; E94-S96 VanDerWaalsContact O-N 3.11Å; E94-K97 HydrophobicContact CB-CD 4.45Å; E94-K97 HydrophobicContact CB-CG 4.38Å; E94-K97 WeakPolarHBondContact O-CA 3.46Å; E94-K97 WeakPolarHBondContact O-CB 3.42Å; E94-K97 PolarHBondContact O-N 3.49Å; E94-K97 IonicContact OE1-NZ 3.66Å; E94-K97 PolarHBondContact OE1-NZ 3.14Å; E94-K97 VanDerWaalsContact OE1-NZ 3.09Å; E94-K97 VanDerWaalsContact OE2-CD 3.28Å; E94-K97 WeakPolarHBondContact OE2-CD 3.32Å; E94-K97 VanDerWaalsContact OE2-CE 3.23Å; E94-K97 WeakPolarHBondContact OE2-CE 3.47Å; E94-K97 IonicContact OE2-NZ 3.72Å; E94-K97 PolarHBondContact OE2-NZ 3.25Å; E94-V98 PolarHBondContact O-N 3.45Å; E94-K267 VanDerWaalsContact CD-NZ 3.3Å; E94-K267 WeakPolarHBondContact OE1-CE 3.28Å; E94-K267 IonicContact OE1-NZ 2.67Å; E94-K267 PolarHBondContact OE1-NZ 2.87Å; E94-K267 IonicContact OE2-NZ 3.51Å; E94-K267 PolarHBondContact OE2-NZ 3.02Å; E94-Y268 WeakPolarHBondContact CG-OH 3.48Å
95T98.5Very high97.9Very high22 Ų2246.7 Ų46.714%0.13523%0.229CC..Hα-helixtrans-52.7-37.1178.6-49.70000112.8C14 K97 V98 I99 L148 W164C14-T95 HydrophobicContact CB-CG2 4.21Å; T95-K97 VanDerWaalsContact C-N 3.28Å; T95-K97 PolarHBondContact O-N 3.22Å; T95-V98 PolarHBondContact O-N 2.89Å; T95-I99 HydrophobicContact CG2-CD1 3.92Å; T95-I99 HydrophobicContact CG2-CG1 4.43Å; T95-I99 WeakPolarHBondContact O-CD1 3.5Å; T95-I99 VanDerWaalsContact O-CG1 3.27Å; T95-I99 WeakPolarHBondContact O-CG1 3.49Å; T95-I99 PolarHBondContact O-N 3.11Å; T95-L148 HydrophobicContact CG2-CD1 3.96Å; T95-L148 HydrophobicContact CG2-CD2 4.16Å; T95-W164 HydrophobicContact CG2-CH2 4.43Å; T95-W164 HydrophobicContact CG2-CZ3 4.41Å
96S98.2Very high97.6Very high1 Ų144.4 Ų44.41%0.00722%0.221CC..Hα-helixtrans-59.9-36.617659.70000112.6E94 R100 D168E94-S96 PolarHBondContact O-N 3.37Å; E94-S96 VanDerWaalsContact O-N 3.11Å; S96-R100 WeakPolarHBondContact O-CG 3.46Å; S96-R100 PolarHBondContact O-N 2.99Å; S96-R100 PolarHBondContact OG-NH2 3.47Å; S96-D168 VanDerWaalsContact CB-OD1 3.3Å; S96-D168 WeakPolarHBondContact CB-OD1 3.34Å; S96-D168 PolarHBondContact OG-OD1 3.12Å
97K98.6Very high97.1Very high78 Ų7846.5 Ų46.534%0.33923%0.232SC..Hα-helixtrans-73.7-36.8176.1-67.5179.4-173.6164.60112.3V93 E94 T95 I99 R100 H101V93-K97 HydrophobicContact CG1-CB 3.63Å; V93-K97 HydrophobicContact CG1-CD 4.27Å; E94-K97 HydrophobicContact CB-CD 4.45Å; E94-K97 HydrophobicContact CB-CG 4.38Å; E94-K97 WeakPolarHBondContact O-CA 3.46Å; E94-K97 WeakPolarHBondContact O-CB 3.42Å; E94-K97 PolarHBondContact O-N 3.49Å; E94-K97 IonicContact OE1-NZ 3.66Å; E94-K97 PolarHBondContact OE1-NZ 3.14Å; E94-K97 VanDerWaalsContact OE1-NZ 3.09Å; E94-K97 VanDerWaalsContact OE2-CD 3.28Å; E94-K97 WeakPolarHBondContact OE2-CD 3.32Å; E94-K97 VanDerWaalsContact OE2-CE 3.23Å; E94-K97 WeakPolarHBondContact OE2-CE 3.47Å; E94-K97 IonicContact OE2-NZ 3.72Å; E94-K97 PolarHBondContact OE2-NZ 3.25Å; T95-K97 VanDerWaalsContact C-N 3.28Å; T95-K97 PolarHBondContact O-N 3.22Å; K97-I99 VanDerWaalsContact C-N 3.33Å; K97-R100 PolarHBondContact O-N 3.09Å; K97-H101 WeakPolarHBondContact O-CB 3.27Å; K97-H101 PolarHBondContact O-N 3.18Å
98V98.8Very high96.7Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-62.5-44.1173.1-173.50000110.3L12 W85 E86 V93 E94 T95 H101 H102L12-V98 HydrophobicContact CD2-CG1 4.39Å; W85-V98 HydrophobicContact CZ3-CB 4.42Å; W85-V98 HydrophobicContact CZ3-CG1 4.47Å; W85-V98 HydrophobicContact CZ3-CG2 4.19Å; E86-V98 HydrophobicContact CB-CG1 4.23Å; E86-V98 HydrophobicContact CB-CG2 4.23Å; E86-V98 HydrophobicContact CG-CG2 3.79Å; V93-V98 HydrophobicContact CB-CG2 4.3Å; V93-V98 HydrophobicContact CG1-CG2 3.83Å; E94-V98 PolarHBondContact O-N 3.45Å; T95-V98 PolarHBondContact O-N 2.89Å; V98-H101 PolarHBondContact O-N 3.24Å; V98-H102 PolarHBondContact O-CD2 3.1Å; V98-H102 PolarHBondContact O-N 3.48Å; V98-H102 VanDerWaalsContact O-N 3.11Å
99I98.6Very high96Very high1 Ų146.9 Ų46.91%0.00524%0.236CC..Hα-helixtrans-61.1-46.9174.8-68.2162.9000110.7L12 T95 K97 H101 H102 Y103 L146 L148 I172 Y176L12-I99 HydrophobicContact CD2-CB 4.45Å; L12-I99 HydrophobicContact CD2-CG1 3.82Å; T95-I99 HydrophobicContact CG2-CD1 3.92Å; T95-I99 HydrophobicContact CG2-CG1 4.43Å; T95-I99 WeakPolarHBondContact O-CD1 3.5Å; T95-I99 VanDerWaalsContact O-CG1 3.27Å; T95-I99 WeakPolarHBondContact O-CG1 3.49Å; T95-I99 PolarHBondContact O-N 3.11Å; K97-I99 VanDerWaalsContact C-N 3.33Å; I99-H101 PolarHBondContact O-N 3.06Å; I99-H102 PolarHBondContact O-N 3.2Å; I99-Y103 VanDerWaalsContact O-CB 3.24Å; I99-Y103 WeakPolarHBondContact O-CB 3.42Å; I99-Y103 PolarHBondContact O-N 3.47Å; I99-L146 HydrophobicContact CB-CD2 4.42Å; I99-L146 HydrophobicContact CG2-CD2 3.76Å; I99-L146 WeakPolarHBondContact O-CD2 3.3Å; I99-L148 HydrophobicContact CD1-CB 4.12Å; I99-L148 HydrophobicContact CD1-CD1 4.27Å; I99-L148 HydrophobicContact CD1-CD2 4.33Å; I99-L148 HydrophobicContact CD1-CG 4.47Å; I99-I172 HydrophobicContact CD1-CD1 4.23Å; I99-I172 HydrophobicContact CD1-CG1 3.75Å; I99-I172 HydrophobicContact CD1-CG2 4.2Å; I99-Y176 HydrophobicContact CG2-CD1 3.49Å; I99-Y176 VanDerWaalsContact CG2-CD1 3.49Å; I99-Y176 HydrophobicContact CG2-CD2 3.4Å; I99-Y176 VanDerWaalsContact CG2-CD2 3.4Å; I99-Y176 HydrophobicContact CG2-CE1 3.7Å; I99-Y176 HydrophobicContact CG2-CE2 3.56Å; I99-Y176 HydrophobicContact CG2-CG 3.35Å
100R98.3Very high95.2Very high72 Ų7245.6 Ų45.627%0.27223%0.23SC..Hα-helixtrans-56.3-48.6175.5-79177.2-135.8143.47.4111.9S96 K97 H102 Y103 E104 D168 E171 Y176S96-R100 WeakPolarHBondContact O-CG 3.46Å; S96-R100 PolarHBondContact O-N 2.99Å; S96-R100 PolarHBondContact OG-NH2 3.47Å; K97-R100 PolarHBondContact O-N 3.09Å; R100-H102 PolarHBondContact O-N 2.98Å; R100-Y103 PolarHBondContact O-N 3.49Å; R100-E104 WeakPolarHBondContact O-CB 3.46Å; R100-E104 WeakPolarHBondContact O-CG 3.37Å; R100-E104 PolarHBondContact O-N 3.31Å; R100-D168 IonicContact NH2-OD1 2.84Å; R100-D168 PolarHBondContact NH2-OD1 3.43Å; R100-E171 WeakPolarHBondContact CG-OE1 3.34Å; R100-E171 IonicContact CZ-OE1 2.79Å; R100-E171 IonicContact CZ-OE2 3.37Å; R100-E171 VanDerWaalsContact CZ-OE2 3.24Å; R100-E171 IonicContact NE-OE1 3.78Å; R100-E171 PolarHBondContact NE-OE1 3.3Å; R100-E171 IonicContact NE-OE2 2.7Å; R100-E171 PolarHBondContact NE-OE2 3.36Å; R100-E171 IonicContact NH2-OE2 2.73Å; R100-E171 PolarHBondContact NH2-OE2 3.15Å; R100-Y176 WeakPolarHBondContact CG-OH 3.47Å
101H98.4Very high94.1Very high36 Ų3646.5 Ų46.517%0.16722%0.223CC..Hα-helixtrans-54.9-55.4179.5171.968.4000111.4W85 K97 V98 I99 Y103 E104 E105W85-H101 AromaticContact CD1-CE1 3.52Å; W85-H101 AromaticContact CD1-NE2 3.41Å; W85-H101 HydrophobicContact CD2-CB 4.46Å; W85-H101 AromaticContact CD2-CD2 3.32Å; W85-H101 AromaticContact CD2-CE1 3.89Å; W85-H101 AromaticContact CD2-CG 3.67Å; W85-H101 AromaticContact CD2-NE2 3.48Å; W85-H101 AromaticContact CE2-CD2 3.77Å; W85-H101 AromaticContact CE2-CE1 3.71Å; W85-H101 AromaticContact CE2-CG 3.65Å; W85-H101 AromaticContact CE2-ND1 3.61Å; W85-H101 AromaticContact CE2-NE2 3.8Å; W85-H101 HydrophobicContact CE3-CB 4.18Å; W85-H101 AromaticContact CE3-CD2 3.52Å; W85-H101 AromaticContact CE3-CG 3.82Å; W85-H101 AromaticContact CG-CD2 3.6Å; W85-H101 AromaticContact CG-CE1 3.8Å; W85-H101 AromaticContact CG-NE2 3.25Å; W85-H101 HydrophobicContact CH2-CB 3.85Å; W85-H101 HydrophobicContact CZ2-CB 4.11Å; W85-H101 AromaticContact CZ2-CG 3.83Å; W85-H101 AromaticContact CZ2-ND1 3.89Å; W85-H101 HydrophobicContact CZ3-CB 3.89Å; W85-H101 AromaticContact CZ3-CG 4Å; W85-H101 AromaticContact NE1-CE1 3.44Å; W85-H101 PolarHBondContact NE1-CE1 2.96Å; W85-H101 AromaticContact NE1-ND1 3.74Å; W85-H101 AromaticContact NE1-NE2 3.72Å; K97-H101 WeakPolarHBondContact O-CB 3.27Å; K97-H101 PolarHBondContact O-N 3.18Å; V98-H101 PolarHBondContact O-N 3.24Å; I99-H101 PolarHBondContact O-N 3.06Å; H101-Y103 VanDerWaalsContact C-N 3.31Å; H101-Y103 PolarHBondContact O-N 2.89Å; H101-E104 PolarHBondContact O-N 2.85Å; H101-E105 IonicContact CD2-OE2 2.99Å; H101-E105 IonicContact NE2-OE1 3.68Å; H101-E105 IonicContact NE2-OE2 3.62Å; H101-E105 WeakPolarHBondContact O-CG 3.37Å; H101-E105 PolarHBondContact O-N 3.47Å
102H98.1Very high92.8Very high2 Ų246 Ų461%0.00922%0.22CC..Hα-helixtrans-66.9-32.5179.9-71.8-51.7000113.1L12 D83 V98 I99 R100 E105 L106 L146L12-H102 HydrophobicContact CD2-CB 4.48Å; D83-H102 IonicContact OD1-CE1 3.81Å; D83-H102 IonicContact OD2-CE1 3.49Å; V98-H102 PolarHBondContact O-CD2 3.1Å; V98-H102 PolarHBondContact O-N 3.48Å; V98-H102 VanDerWaalsContact O-N 3.11Å; I99-H102 PolarHBondContact O-N 3.2Å; R100-H102 PolarHBondContact O-N 2.98Å; H102-E105 IonicContact CE1-OE2 3.24Å; H102-E105 IonicContact ND1-OE2 2.68Å; H102-E105 PolarHBondContact ND1-OE2 3.45Å; H102-E105 VanDerWaalsContact ND1-OE2 3.14Å; H102-E105 PolarHBondContact O-N 3.3Å; H102-L106 WeakPolarHBondContact O-CB 3.49Å; H102-L106 WeakPolarHBondContact O-CG 3.47Å; H102-L106 PolarHBondContact O-N 3.03Å; H102-L146 HydrophobicContact CB-CD2 4.02Å
103Y96.6Very high91.3Very high23 Ų2352 Ų529%0.0924%0.243CC..Hα-helixtrans-65.2-42.7175.1-174.9-108000111.6I99 R100 H101 L106 L107 L146 Y176I99-Y103 VanDerWaalsContact O-CB 3.24Å; I99-Y103 WeakPolarHBondContact O-CB 3.42Å; I99-Y103 PolarHBondContact O-N 3.47Å; R100-Y103 PolarHBondContact O-N 3.49Å; H101-Y103 VanDerWaalsContact C-N 3.31Å; H101-Y103 PolarHBondContact O-N 2.89Å; Y103-L106 PolarHBondContact O-N 3.22Å; Y103-L107 HydrophobicContact CD1-CD1 3.98Å; Y103-L107 HydrophobicContact CD1-CG 4.48Å; Y103-L107 HydrophobicContact CE1-CD1 3.49Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.49Å; Y103-L107 HydrophobicContact CE1-CG 4.13Å; Y103-L107 WeakPolarHBondContact O-CG 3.43Å; Y103-L107 PolarHBondContact O-N 2.99Å; Y103-L146 HydrophobicContact CD2-CB 3.95Å; Y103-Y176 AromaticContact CD1-CE1 3.88Å; Y103-Y176 HydrophobicContact CD1-CE1 3.88Å; Y103-Y176 HydrophobicContact CD2-CD1 4.23Å; Y103-Y176 HydrophobicContact CD2-CE1 4.15Å; Y103-Y176 HydrophobicContact CG-CD1 4.2Å; Y103-Y176 AromaticContact CG-CE1 3.67Å; Y103-Y176 HydrophobicContact CG-CE1 3.67Å
104E95.2Very high89.5Confident123 Ų12355.9 Ų55.958%0.57526%0.263SS*.Hα-helixtrans-64.2-42175.4-72.5169.1-175.800111.8R100 H101 L106 L107 A108R100-E104 WeakPolarHBondContact O-CB 3.46Å; R100-E104 WeakPolarHBondContact O-CG 3.37Å; R100-E104 PolarHBondContact O-N 3.31Å; H101-E104 PolarHBondContact O-N 2.85Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.06Å; E104-L107 PolarHBondContact O-N 3.05Å; E104-A108 WeakPolarHBondContact O-CB 3.46Å; E104-A108 PolarHBondContact O-N 2.9Å
105E94.6Very high87.6Confident56 Ų5660.5 Ų60.526%0.26229%0.288SS..Hα-helixtrans-61.2-40.2173.5-71.7-165.4110.900112.8H101 H102 A108 R109H101-E105 IonicContact CD2-OE2 2.99Å; H101-E105 IonicContact NE2-OE1 3.68Å; H101-E105 IonicContact NE2-OE2 3.62Å; H101-E105 WeakPolarHBondContact O-CG 3.37Å; H101-E105 PolarHBondContact O-N 3.47Å; H102-E105 IonicContact CE1-OE2 3.24Å; H102-E105 IonicContact ND1-OE2 2.68Å; H102-E105 PolarHBondContact ND1-OE2 3.45Å; H102-E105 VanDerWaalsContact ND1-OE2 3.14Å; H102-E105 PolarHBondContact O-N 3.3Å; E105-A108 PolarHBondContact O-N 3.15Å; E105-R109 WeakPolarHBondContact O-CG 3.44Å; E105-R109 PolarHBondContact O-N 3.36Å; E105-R109 IonicContact OE1-NH2 3.59Å
106L92.3Very high85.5Confident18 Ų1864.2 Ų64.29%0.09431%0.31CS..Hα-helixtrans-63.4-45.8176.4-74.5172.4000111.2V10 H102 Y103 E104 A108 R109 E110 L146V10-L106 HydrophobicContact CB-CD1 3.91Å; V10-L106 HydrophobicContact CG1-CD1 4.19Å; V10-L106 HydrophobicContact CG2-CD1 3.78Å; V10-L106 HydrophobicContact CG2-CD2 3.93Å; H102-L106 WeakPolarHBondContact O-CB 3.49Å; H102-L106 WeakPolarHBondContact O-CG 3.47Å; H102-L106 PolarHBondContact O-N 3.03Å; Y103-L106 PolarHBondContact O-N 3.22Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.06Å; L106-A108 VanDerWaalsContact C-N 3.35Å; L106-A108 PolarHBondContact O-N 2.93Å; L106-R109 PolarHBondContact O-N 3.34Å; L106-E110 PolarHBondContact O-N 3.43Å; L106-L146 HydrophobicContact CD1-CB 4.27Å; L106-L146 HydrophobicContact CD1-CD1 3.87Å
107L89.9Confident83.3Confident54 Ų5470.6 Ų70.628%0.28334%0.344SS..Hα-helixtrans-62.3-41.8176.7-68.7179.8000111.9Y103 E104 R109 E110 H111Y103-L107 HydrophobicContact CD1-CD1 3.98Å; Y103-L107 HydrophobicContact CD1-CG 4.48Å; Y103-L107 HydrophobicContact CE1-CD1 3.49Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.49Å; Y103-L107 HydrophobicContact CE1-CG 4.13Å; Y103-L107 WeakPolarHBondContact O-CG 3.43Å; Y103-L107 PolarHBondContact O-N 2.99Å; E104-L107 PolarHBondContact O-N 3.05Å; L107-R109 VanDerWaalsContact C-N 3.33Å; L107-R109 PolarHBondContact O-N 2.98Å; L107-E110 PolarHBondContact O-N 2.97Å; L107-H111 PolarHBondContact O-N 3.4Å; L107-H111 VanDerWaalsContact O-N 3.09Å; L107-H111 PolarHBondContact O-ND1 2.94Å
108A89.1Confident81.1Confident51 Ų5171.6 Ų71.642%0.42136%0.357SS..Hα-helixtrans-63.6-37.7178.200000112.4E104 E105 L106 N112E104-A108 WeakPolarHBondContact O-CB 3.46Å; E104-A108 PolarHBondContact O-N 2.9Å; E105-A108 PolarHBondContact O-N 3.15Å; L106-A108 VanDerWaalsContact C-N 3.35Å; L106-A108 PolarHBondContact O-N 2.93Å; A108-N112 VanDerWaalsContact O-CG 3.31Å; A108-N112 PolarHBondContact O-N 3.38Å; A108-N112 VanDerWaalsContact O-N 3.09Å; A108-N112 PolarHBondContact O-ND2 3.31Å
109R84.9Confident78.6Confident113 Ų11378.2 Ų78.243%0.42639%0.391SS..Hα-helixtrans-67.9-35.5176.9-73.8176-173.7165.49.6113.1E105 L106 L107 R113E105-R109 WeakPolarHBondContact O-CG 3.44Å; E105-R109 PolarHBondContact O-N 3.36Å; E105-R109 IonicContact OE1-NH2 3.59Å; L106-R109 PolarHBondContact O-N 3.34Å; L107-R109 VanDerWaalsContact C-N 3.33Å; L107-R109 PolarHBondContact O-N 2.98Å; R109-R113 WeakPolarHBondContact O-CG 3.33Å; R109-R113 PolarHBondContact O-N 3.07Å
110E79.8Confident76Confident36 Ų3686.7 Ų86.717%0.16843%0.428CS..Hα-helixtrans-70-44.5175.6-67.8-68.1125.500111.2L106 L107 N112 R113 D114 P144L106-E110 PolarHBondContact O-N 3.43Å; L107-E110 PolarHBondContact O-N 2.97Å; E110-N112 VanDerWaalsContact C-N 3.3Å; E110-N112 PolarHBondContact O-N 2.89Å; E110-R113 WeakPolarHBondContact O-CB 3.44Å; E110-R113 PolarHBondContact O-N 3.32Å; E110-R113 IonicContact OE1-NH1 3.32Å; E110-R113 PolarHBondContact OE1-NH1 2.78Å; E110-D114 PolarHBondContact O-N 3.42Å; E110-D114 VanDerWaalsContact O-N 3.09Å; E110-P144 HydrophobicContact CG-CG 4.41Å
111H74.6Confident73.3Confident122 Ų12293.2 Ų93.257%0.56545%0.454SS*.Hα-helixtrans-58.1-42.8175.3-75.377.1000111.9L107 R113 D114 D115L107-H111 PolarHBondContact O-N 3.4Å; L107-H111 VanDerWaalsContact O-N 3.09Å; L107-H111 PolarHBondContact O-ND1 2.94Å; H111-R113 VanDerWaalsContact C-N 3.26Å; H111-R113 PolarHBondContact O-N 3.23Å; H111-D114 PolarHBondContact O-N 2.94Å; H111-D115 PolarHBondContact O-N 3.02Å
112N70.8Confident70.2Confident103 Ų10398.4 Ų98.455%0.55149%0.488SS*.Hα-helixtrans-65.9-25.9176.8-72.8-21.1000113.3A108 E110 V116A108-N112 VanDerWaalsContact O-CG 3.31Å; A108-N112 PolarHBondContact O-N 3.38Å; A108-N112 VanDerWaalsContact O-N 3.09Å; A108-N112 PolarHBondContact O-ND2 3.31Å; E110-N112 VanDerWaalsContact C-N 3.3Å; E110-N112 PolarHBondContact O-N 2.89Å; N112-V116 VanDerWaalsContact O-CG2 3.25Å; N112-V116 WeakPolarHBondContact O-CG2 3.35Å; N112-V116 PolarHBondContact O-N 3.4Å
113R65.8Low67.3Low158 Ų158107.9 Ų107.960%0.59653%0.53SS*.Hα-helixtrans-73.8-44.3174.5-79.2176.5172.8176.8-5.5111.1R109 E110 H111 D115 V116 D117R109-R113 WeakPolarHBondContact O-CG 3.33Å; R109-R113 PolarHBondContact O-N 3.07Å; E110-R113 WeakPolarHBondContact O-CB 3.44Å; E110-R113 PolarHBondContact O-N 3.32Å; E110-R113 IonicContact OE1-NH1 3.32Å; E110-R113 PolarHBondContact OE1-NH1 2.78Å; H111-R113 VanDerWaalsContact C-N 3.26Å; H111-R113 PolarHBondContact O-N 3.23Å; R113-D115 VanDerWaalsContact C-N 3.31Å; R113-D115 PolarHBondContact O-N 2.98Å; R113-V116 PolarHBondContact O-N 2.91Å; R113-D117 PolarHBondContact O-N 2.92Å; R113-D117 VanDerWaalsContact O-N 3.08Å
114D61.2Low64.6Low100 Ų100116.9 Ų116.954%0.53557%0.569SS.*Hα-helixtrans-63.1-37.1177.8-68.4-20.8000112E110 H111 D117 T118E110-D114 PolarHBondContact O-N 3.42Å; E110-D114 VanDerWaalsContact O-N 3.09Å; H111-D114 PolarHBondContact O-N 2.94Å; D114-D117 PolarHBondContact O-N 2.58Å; D114-T118 PolarHBondContact O-N 2.91Å; D114-T118 VanDerWaalsContact O-N 3.09Å; D114-T118 PolarHBondContact O-OG1 2.9Å
115D57.4Low61.7Low101 Ų101122.9 Ų122.954%0.5459%0.587SS.*Hα-helixtrans-67.9-33176-79.6-15.5000112.9H111 R113 T118 I119H111-D115 PolarHBondContact O-N 3.02Å; R113-D115 VanDerWaalsContact C-N 3.31Å; R113-D115 PolarHBondContact O-N 2.98Å; D115-T118 WeakPolarHBondContact CA-OG1 3.49Å; D115-T118 PolarHBondContact O-OG1 2.86Å; D115-I119 WeakPolarHBondContact O-CG1 3.33Å
116V54.8Low58.7Low101 Ų101131.9 Ų131.961%0.61262%0.618SS**Hα-helixtrans-76.4-36.9177.4174.40000111.2N112 R113 T118 I119N112-V116 VanDerWaalsContact O-CG2 3.25Å; N112-V116 WeakPolarHBondContact O-CG2 3.35Å; N112-V116 PolarHBondContact O-N 3.4Å; R113-V116 PolarHBondContact O-N 2.91Å; V116-T118 VanDerWaalsContact C-N 3.33Å; V116-I119 PolarHBondContact O-N 3.01Å
117D51.3Low56Low134 Ų134138.5 Ų138.572%0.71765%0.652SS**Hα-helixtrans-72.4-24.5177.1-84.6-23.5000113.1R113 D114R113-D117 PolarHBondContact O-N 2.92Å; R113-D117 VanDerWaalsContact O-N 3.08Å; D114-D117 PolarHBondContact O-N 2.58Å
118T51.9Low53.2Low99 Ų99144.7 Ų144.761%0.60768%0.68SS**THydrogen-bonded Turntrans-81.4-6.7175.440.40000114.9D114 D115 V116 K120D114-T118 PolarHBondContact O-N 2.91Å; D114-T118 VanDerWaalsContact O-N 3.09Å; D114-T118 PolarHBondContact O-OG1 2.9Å; D115-T118 WeakPolarHBondContact CA-OG1 3.49Å; D115-T118 PolarHBondContact O-OG1 2.86Å; V116-T118 VanDerWaalsContact C-N 3.33Å; T118-K120 PolarHBondContact O-N 3.28Å
119I48.1Very low50.7Low139 Ų139150.5 Ų150.571%0.71370%0.698SS**THydrogen-bonded Turntrans-73.5-4.7175.6-68167.1000112.6D115 V116D115-I119 WeakPolarHBondContact O-CG1 3.33Å; V116-I119 PolarHBondContact O-N 3.01Å
120K42.9Very low48Very low180 Ų180152.6 Ų152.678%0.78372%0.718SS**SBendtrans-99.2100.8168.7-71.6-177.5-177.6171.30110.8T118T118-K120 PolarHBondContact O-N 3.28Å
121Y41.7Very low46Very low208 Ų208161.8 Ų161.882%0.81675%0.752SS**SBendtrans78.299.7173.3-66.1-92.8000116.6
122T33.8Very low44.1Very low145 Ų145164 Ų16489%0.8977%0.766SS**  -175144.2108.723.30000113.8
123K35.8Very low42.5Very low202 Ų202162.9 Ų162.988%0.87877%0.772SS**  trans-58.3131.2172.1-87.8168.8166.6170.50111.8
124K40.2Very low41.2Very low212 Ų212160.9 Ų160.992%0.92278%0.782SS**  trans28.4102.2137.3-125.1179.6-173.9176.60115.9
125R34.2Very low39.9Very low249 Ų249161 Ų16194%0.9479%0.79SS**  trans-141.5138.3152.6-127.2174162.7143-4.3111.2
126R32.7Very low38.9Very low244 Ų244163.1 Ų163.192%0.92181%0.807SS**  trans-60.7144.2-169.5-83.3161.5130.4166.2-8.2112.7
127I35Very low38Very low158 Ų158165.8 Ų165.881%0.8181%0.812SS**  trans-71.5122.5168.8-62.1166.7000108.1E129I127-E129 HydrophobicContact CG2-CG 4.39Å
128E30.6Very low37.4Very low184 Ų184168.6 Ų168.686%0.8682%0.821SS**  trans-115.8117.2155.1-87.5-179.3178.100107.2
129E36.7Very low36.8Very low173 Ų173175.1 Ų175.181%0.80883%0.834SS**  trans-67.8130172.3-68.9173.115100109.4I127I127-E129 HydrophobicContact CG2-CG 4.39Å
130N28.9Very low36.6Very low157 Ų157177.5 Ų177.584%0.8484%0.84SS**  trans-150.8109.2153.4-92.5-36.7000109.9
131Y36.9Very low37.4Very low229 Ų229175 Ų17590%0.89883%0.825SS**  trans-60.4133.1154.8-91.7-101.9000109
132I35.4Very low38.6Very low167 Ų167172.8 Ų172.886%0.85683%0.827SS**  trans-157.8134.6143.8-93.1143.5000109.1
133A37.4Very low40.9Very low81 Ų81166.9 Ų166.967%0.66980%0.795SS**  trans-69171.6178.200000114.2
134S39.1Very low43.5Very low116 Ų116157.4 Ų157.481%0.81175%0.754SS**  trans70.295.6158.858.90000118.3
135S33.8Very low46.1Very low101 Ų101149.1 Ų149.171%0.70672%0.719SS**  trans-164.695.8136.438.20000109.4H137S135-H137 PolarHBondContact O-N 2.82Å
136V35.9Very low49.2Very low147 Ų147137.3 Ų137.389%0.89167%0.674SS**  trans-71.671.4162.1-176.90000106.7
137H34.8Very low52.3Low157 Ų157125.7 Ų125.773%0.72763%0.63SS**  trans-106.7135.1166.4-83.16000107.3S135 R139S135-H137 PolarHBondContact O-N 2.82Å; H137-R139 VanDerWaalsContact C-N 3.28Å; H137-R139 PolarHBondContact O-N 3.06Å
138H39Very low55.3Low192 Ų192118.3 Ų118.389%0.88959%0.593SS**  trans-52.987-175.5-71.128.3000110.7K140H138-K140 PolarHBondContact O-N 3.09Å
139R40.8Very low58.6Low236 Ų236109.6 Ų109.689%0.89155%0.552SS**  trans-61.3121.5163.4-72-169.1177.1-171.4-0.6105.7H137 R141H137-R139 VanDerWaalsContact C-N 3.28Å; H137-R139 PolarHBondContact O-N 3.06Å; R139-R141 PolarHBondContact O-N 3.38Å; R139-R141 VanDerWaalsContact O-N 3.11Å
140K43.6Very low61.5Low190 Ų190101.7 Ų101.783%0.82652%0.516SS*.  trans-43.5122.4166-98.8179168.4-177.50107H138 D142H138-K140 PolarHBondContact O-N 3.09Å; K140-D142 VanDerWaalsContact C-N 3.28Å; K140-D142 PolarHBondContact O-N 3.45Å
141R58.4Low64.6Low128 Ų12894.6 Ų94.648%0.48348%0.48SS..  trans-68.390.9176.7-68.7179.4-179.5-174.7-3.7106.7R139 G143 R175R139-R141 PolarHBondContact O-N 3.38Å; R139-R141 VanDerWaalsContact O-N 3.11Å; R141-G143 PolarHBondContact O-N 2.68Å; R141-R175 PolarHBondContact NH1-O 3.4Å; R141-R175 PolarHBondContact NH2-O 3.19Å
142D68.7Low67.2Low160 Ų16084.3 Ų84.386%0.85644%0.442SS*.  trans-75.4-2.5179.8-104.5-11.3000113.2K140K140-D142 VanDerWaalsContact C-N 3.28Å; K140-D142 PolarHBondContact O-N 3.45Å
143G81.7Confident69.9Low21 Ų2181.9 Ų81.922%0.21643%0.431CS..SBendtrans-99.9164.7177.100000114.1R141R141-G143 PolarHBondContact O-N 2.68Å
144P90.9Very high72.6Confident3 Ų380 Ų802%0.01941%0.411CS..PPolyproline II helixtrans-55.2140.2171.9-22.432.4000112.3K8 V10 I44 E110K8-P144 HydrophobicContact CB-CB 4.09Å; K8-P144 HydrophobicContact CB-CG 4.3Å; K8-P144 CarbonylContact O-C 3.54Å; K8-P144 WeakPolarHBondContact O-CA 3.38Å; V10-P144 HydrophobicContact CG2-CB 4.21Å; I44-P144 HydrophobicContact CD1-CB 3.97Å; I44-P144 HydrophobicContact CD1-CG 3.79Å; E110-P144 HydrophobicContact CG-CG 4.41Å
145Q94.4Very high75.3Confident38 Ų3874.4 Ų74.418%0.17837%0.372CS..EExtended strand (participates in β ladder)trans-77.5141.4169.6-61.3-176.6-16.100109.4K8 V9 V10K8-Q145 PolarHBondContact O-N 3.44Å; V9-Q145 CarbonylContact C-O 3.57Å; V9-Q145 WeakPolarHBondContact CA-O 3.37Å; V9-Q145 HydrophobicContact CG2-CB 4.4Å; V10-Q145 PolarHBondContact N-O 2.73Å
146L97.8Very high78.1Confident1 Ų173.2 Ų73.21%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-103.2130.2169.6-174.172.5000107.8V10 L12 I99 H102 Y103 L106 Y176V10-L146 HydrophobicContact CB-CD1 3.86Å; V10-L146 HydrophobicContact CG1-CD1 3.7Å; V10-L146 WeakPolarHBondContact O-CA 3.44Å; L12-L146 HydrophobicContact CB-CD1 3.96Å; L12-L146 HydrophobicContact CB-CG 4.45Å; L12-L146 HydrophobicContact CD2-CD2 4.22Å; I99-L146 HydrophobicContact CB-CD2 4.42Å; I99-L146 HydrophobicContact CG2-CD2 3.76Å; I99-L146 WeakPolarHBondContact O-CD2 3.3Å; H102-L146 HydrophobicContact CB-CD2 4.02Å; Y103-L146 HydrophobicContact CD2-CB 3.95Å; L106-L146 HydrophobicContact CD1-CB 4.27Å; L106-L146 HydrophobicContact CD1-CD1 3.87Å; L146-Y176 CarbonylContact O-C 3.56Å; L146-Y176 WeakPolarHBondContact O-CA 3.37Å; L146-Y176 VanDerWaalsContact O-CB 3.29Å; L146-Y176 WeakPolarHBondContact O-CB 3.3Å
147M98.7Very high81Confident0 Ų067 Ų670%032%0.318CS..EExtended strand (participates in β ladder)trans-124.3138.3175.3-63.8-177.517600110.4V9 V10 L11 L12 L35 Y41 L149 G177 V179V9-M147 HydrophobicContact CG1-CB 4.33Å; V9-M147 HydrophobicContact CG1-CG 3.99Å; V9-M147 HydrophobicContact CG1-SD 3.9Å; V9-M147 HydrophobicContact CG2-CE 4.21Å; V9-M147 HydrophobicContact CG2-SD 4.5Å; V10-M147 PolarHBondContact O-N 3.2Å; L11-M147 HydrophobicContact CD2-CB 4.21Å; L12-M147 PolarHBondContact N-O 3.09Å; L35-M147 HydrophobicContact CD1-SD 4.21Å; L35-M147 HydrophobicContact CD2-SD 4.4Å; Y41-M147 HydrophobicContact CD1-CE 4.27Å; Y41-M147 HydrophobicContact CE1-CE 3.66Å; M147-L149 PolarHBondContact O-N 3.35Å; M147-G177 WeakPolarHBondContact CA-O 3.47Å; M147-V179 HydrophobicContact CB-CG2 4.17Å; M147-V179 HydrophobicContact SD-CG2 3.93Å
148L98.8Very high83.9Confident3 Ų360.2 Ų60.22%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-74.5117.6173.4179.267000109.4L12 T95 I99 I172 G177 L178 V179L12-L148 CarbonylContact O-C 3.5Å; L12-L148 WeakPolarHBondContact O-CA 3.25Å; T95-L148 HydrophobicContact CG2-CD1 3.96Å; T95-L148 HydrophobicContact CG2-CD2 4.16Å; I99-L148 HydrophobicContact CD1-CB 4.12Å; I99-L148 HydrophobicContact CD1-CD1 4.27Å; I99-L148 HydrophobicContact CD1-CD2 4.33Å; I99-L148 HydrophobicContact CD1-CG 4.47Å; L148-I172 HydrophobicContact CB-CG2 4.33Å; L148-I172 HydrophobicContact CD2-CG2 3.87Å; L148-G177 PolarHBondContact N-O 2.91Å; L148-L178 HydrophobicContact CD2-CD1 4.26Å; L148-L178 CarbonylContact O-C 3.42Å; L148-L178 WeakPolarHBondContact O-CA 3.45Å; L148-V179 PolarHBondContact O-N 3.43Å
149L98.8Very high86.5Confident2 Ų253.5 Ų53.51%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-90.9122.9171174.260.2000109.6L11 L12 A13 M27 F28 A31 M147 V179 V181L11-L149 HydrophobicContact CB-CB 4.4Å; L11-L149 HydrophobicContact CD1-CD2 4.49Å; L12-L149 PolarHBondContact O-N 3.5Å; A13-L149 WeakPolarHBondContact CA-O 3.35Å; A13-L149 HydrophobicContact CB-CB 4.26Å; A13-L149 HydrophobicContact CB-CD2 4.42Å; A13-L149 HydrophobicContact CB-CG 4.42Å; M27-L149 HydrophobicContact CB-CD2 4.46Å; M27-L149 HydrophobicContact CE-CG 4.44Å; F28-L149 HydrophobicContact CB-CD2 4.25Å; F28-L149 HydrophobicContact CD1-CD2 3.6Å; F28-L149 HydrophobicContact CD2-CD2 3.78Å; F28-L149 HydrophobicContact CE1-CD2 3.78Å; F28-L149 HydrophobicContact CE2-CD2 3.94Å; F28-L149 HydrophobicContact CG-CD2 3.61Å; F28-L149 HydrophobicContact CZ-CD2 3.95Å; A31-L149 HydrophobicContact CB-CD1 3.54Å; A31-L149 HydrophobicContact CB-CD2 4.32Å; M147-L149 PolarHBondContact O-N 3.35Å; L149-V179 WeakPolarHBondContact CA-O 3.4Å; L149-V179 HydrophobicContact CD1-CB 4.21Å; L149-V179 HydrophobicContact CD1-CG1 4.25Å; L149-V181 HydrophobicContact CD1-CG2 3.86Å
150C97.3Very high89.1Confident6 Ų646 Ų464%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-148.7170179.770.70000113.2M27 V154 V179 C180 V181M27-C150 WeakPolarHBondContact CE-O 3.35Å; C150-V154 HydrophobicContact CB-CB 3.7Å; C150-V154 HydrophobicContact CB-CG1 3.79Å; C150-V154 HydrophobicContact CB-CG2 4.09Å; C150-V179 PolarHBondContact N-O 3.39Å; C150-C180 CarbonylContact O-C 3.51Å; C150-C180 WeakPolarHBondContact O-CA 3.37Å; C150-V181 PolarHBondContact O-N 3.1Å
151G94.1Very high91.5Very high8 Ų841.8 Ų41.88%0.08224%0.238CC..EExtended strand (participates in β ladder)trans-85.7167.2169.800000111.7D153 V154 L155 V181G151-D153 WeakPolarHBondContact CA-OD1 3.49Å; G151-D153 PolarHBondContact O-N 3.28Å; G151-V154 PolarHBondContact O-N 3.34Å; G151-V154 VanDerWaalsContact O-N 3.12Å; G151-L155 PolarHBondContact O-N 2.93Å; G151-V181 WeakPolarHBondContact CA-O 3.27Å
152A92.3Very high93.1Very high13 Ų1339 Ų3911%0.10723%0.233CC..Hα-helixtrans-56.7-32173.300000113.1V154 L155 E156 C180 V181 P188A152-V154 VanDerWaalsContact C-N 3.32Å; A152-V154 PolarHBondContact O-N 2.81Å; A152-L155 PolarHBondContact O-N 2.97Å; A152-E156 WeakPolarHBondContact O-CB 3.2Å; A152-E156 VanDerWaalsContact O-CG 3.3Å; A152-E156 WeakPolarHBondContact O-CG 3.39Å; A152-E156 PolarHBondContact O-N 3.44Å; A152-C180 VanDerWaalsContact CA-SG 3.56Å; A152-V181 PolarHBondContact N-O 3.44Å; A152-P188 HydrophobicContact CB-CG 4.02Å
153D91.4Very high94.4Very high117 Ų11732.4 Ų32.463%0.62620%0.197SC*.Hα-helixtrans-60.3-38.9176.261.8-33.3000112.8G151 S157G151-D153 WeakPolarHBondContact CA-OD1 3.49Å; G151-D153 PolarHBondContact O-N 3.28Å; D153-S157 WeakPolarHBondContact O-CB 3.49Å; D153-S157 PolarHBondContact O-N 2.93Å; D153-S157 VanDerWaalsContact O-N 3.08Å
154V94.4Very high95.1Very high40 Ų4033.7 Ų33.724%0.24220%0.196CC..Hα-helixtrans-71.1-44.5175.4175.70000110.8C150 G151 A152 S157 W164C150-V154 HydrophobicContact CB-CB 3.7Å; C150-V154 HydrophobicContact CB-CG1 3.79Å; C150-V154 HydrophobicContact CB-CG2 4.09Å; G151-V154 PolarHBondContact O-N 3.34Å; G151-V154 VanDerWaalsContact O-N 3.12Å; A152-V154 VanDerWaalsContact C-N 3.32Å; A152-V154 PolarHBondContact O-N 2.81Å; V154-S157 WeakPolarHBondContact O-CB 3.27Å; V154-S157 PolarHBondContact O-N 2.99Å; V154-S157 PolarHBondContact O-OG 2.69Å; V154-W164 HydrophobicContact CG1-CH2 4.37Å; V154-W164 HydrophobicContact CG1-CZ2 4.14Å
155L95.3Very high95.3Very high0 Ų036.7 Ų36.70%021%0.208CC..Hα-helixtrans-60.2-49.8178.3177.965.5000111.1G151 A152 S157 F158 L178 C180 P188 F191 I192 L198G151-L155 PolarHBondContact O-N 2.93Å; A152-L155 PolarHBondContact O-N 2.97Å; L155-S157 PolarHBondContact O-N 2.87Å; L155-F158 HydrophobicContact CD1-CD2 3.92Å; L155-F158 HydrophobicContact CD1-CE2 3.91Å; L155-F158 VanDerWaalsContact O-CB 3.27Å; L155-F158 WeakPolarHBondContact O-CB 3.3Å; L155-F158 WeakPolarHBondContact O-CG 3.28Å; L155-F158 PolarHBondContact O-N 3.33Å; L155-F158 VanDerWaalsContact O-N 3.11Å; L155-L178 HydrophobicContact CD1-CD1 4.22Å; L155-L178 HydrophobicContact CD1-CD2 4.24Å; L155-C180 HydrophobicContact CD2-CB 4.13Å; L155-P188 HydrophobicContact CD2-CB 3.82Å; L155-F191 HydrophobicContact CG-CD1 4.02Å; L155-F191 HydrophobicContact CG-CE1 4.31Å; L155-F191 WeakPolarHBondContact O-CE1 3.45Å; L155-I192 HydrophobicContact CD2-CD1 4.16Å; L155-I192 HydrophobicContact CD2-CG1 4.19Å; L155-L198 HydrophobicContact CD1-CD1 4.25Å
156E93.9Very high95.3Very high75 Ų7539.6 Ų39.635%0.3522%0.222SC..Hα-helixtrans-63.3-28178-69.8173.5-169.700111.8A152 F158 G159 F191A152-E156 WeakPolarHBondContact O-CB 3.2Å; A152-E156 VanDerWaalsContact O-CG 3.3Å; A152-E156 WeakPolarHBondContact O-CG 3.39Å; A152-E156 PolarHBondContact O-N 3.44Å; E156-F158 PolarHBondContact O-N 3.03Å; E156-G159 PolarHBondContact O-N 3.16Å; E156-G159 VanDerWaalsContact O-N 3.08Å; E156-F191 HydrophobicContact CG-CD2 4.47Å; E156-F191 HydrophobicContact CG-CG 4.32Å
157S95.2Very high95.2Very high16 Ų1645.9 Ų45.911%0.11225%0.251CS..Hα-helixtrans-64.2-17.8175.884.50000114D153 V154 L155 G159 I160 W164D153-S157 WeakPolarHBondContact O-CB 3.49Å; D153-S157 PolarHBondContact O-N 2.93Å; D153-S157 VanDerWaalsContact O-N 3.08Å; V154-S157 WeakPolarHBondContact O-CB 3.27Å; V154-S157 PolarHBondContact O-N 2.99Å; V154-S157 PolarHBondContact O-OG 2.69Å; L155-S157 PolarHBondContact O-N 2.87Å; S157-G159 PolarHBondContact O-N 2.97Å; S157-I160 WeakPolarHBondContact O-CB 3.45Å; S157-I160 PolarHBondContact O-N 3.18Å; S157-W164 PolarHBondContact O-NE1 3.47Å; S157-W164 PolarHBondContact OG-NE1 3.03Å
158F96.2Very high95.2Very high16 Ų1646.3 Ų46.37%0.0725%0.254CS..THydrogen-bonded Turntrans-59.4-23.5171.7-68.3-12.7000112.7L155 E156 W164 I169 V173 L178 F191 L198L155-F158 HydrophobicContact CD1-CD2 3.92Å; L155-F158 HydrophobicContact CD1-CE2 3.91Å; L155-F158 VanDerWaalsContact O-CB 3.27Å; L155-F158 WeakPolarHBondContact O-CB 3.3Å; L155-F158 WeakPolarHBondContact O-CG 3.28Å; L155-F158 PolarHBondContact O-N 3.33Å; L155-F158 VanDerWaalsContact O-N 3.11Å; E156-F158 PolarHBondContact O-N 3.03Å; F158-W164 AromaticContact CD1-CD1 3.93Å; F158-W164 AromaticContact CD1-CD2 3.58Å; F158-W164 HydrophobicContact CD1-CD2 3.58Å; F158-W164 AromaticContact CD1-CE2 3.54Å; F158-W164 HydrophobicContact CD1-CE3 4.02Å; F158-W164 AromaticContact CD1-CG 3.88Å; F158-W164 HydrophobicContact CD1-CG 3.88Å; F158-W164 HydrophobicContact CD1-CH2 4.38Å; F158-W164 AromaticContact CD1-CZ2 3.97Å; F158-W164 HydrophobicContact CD1-CZ2 3.97Å; F158-W164 HydrophobicContact CD1-CZ3 4.39Å; F158-W164 AromaticContact CD1-NE1 3.73Å; F158-W164 AromaticContact CE1-CD2 3.72Å; F158-W164 HydrophobicContact CE1-CD2 3.72Å; F158-W164 AromaticContact CE1-CE2 3.67Å; F158-W164 AromaticContact CE1-CE3 3.7Å; F158-W164 HydrophobicContact CE1-CE3 3.7Å; F158-W164 HydrophobicContact CE1-CG 4.47Å; F158-W164 AromaticContact CE1-CH2 3.66Å; F158-W164 HydrophobicContact CE1-CH2 3.66Å; F158-W164 AromaticContact CE1-CZ2 3.66Å; F158-W164 HydrophobicContact CE1-CZ2 3.66Å; F158-W164 AromaticContact CE1-CZ3 3.66Å; F158-W164 HydrophobicContact CE1-CZ3 3.66Å; F158-I169 HydrophobicContact CB-CD1 3.88Å; F158-I169 HydrophobicContact CB-CG1 4.36Å; F158-I169 HydrophobicContact CD1-CD1 4.43Å; F158-I169 HydrophobicContact CD1-CG1 4.1Å; F158-I169 HydrophobicContact CD2-CG1 4.43Å; F158-I169 HydrophobicContact CD2-CG2 3.96Å; F158-I169 HydrophobicContact CE1-CG1 4.5Å; F158-I169 HydrophobicContact CE2-CG2 4.23Å; F158-I169 HydrophobicContact CG-CD1 4.14Å; F158-I169 HydrophobicContact CG-CG1 4.06Å; F158-I169 HydrophobicContact CG-CG2 4.38Å; F158-V173 HydrophobicContact CE2-CG1 4.32Å; F158-L178 HydrophobicContact CE2-CD1 3.79Å; F158-L178 HydrophobicContact CZ-CD1 3.84Å; F158-F191 HydrophobicContact CB-CE1 4.3Å; F158-F191 HydrophobicContact CB-CZ 4.3Å; F158-L198 HydrophobicContact CD2-CD1 4.43Å; F158-L198 HydrophobicContact CD2-CD2 3.95Å; F158-L198 HydrophobicContact CE2-CD2 4.28Å
159G93.8Very high95.1Very high50 Ų5046.4 Ų46.452%0.51525%0.254SS..THydrogen-bonded Turntrans-84.6-5176.200000114.3E156 S157 P161E156-G159 PolarHBondContact O-N 3.16Å; E156-G159 VanDerWaalsContact O-N 3.08Å; S157-G159 PolarHBondContact O-N 2.97Å; G159-P161 WeakPolarHBondContact O-CD 3.19Å
160I94.8Very high95Very high78 Ų7847.6 Ų47.640%0.426%0.264SS..SBendtrans-80119.9-178.9-61175000109.2S157 N162 L163 F265S157-I160 WeakPolarHBondContact O-CB 3.45Å; S157-I160 PolarHBondContact O-N 3.18Å; I160-N162 PolarHBondContact O-N 3.05Å; I160-L163 HydrophobicContact CB-CB 4.01Å; I160-L163 HydrophobicContact CB-CD2 3.97Å; I160-L163 HydrophobicContact CD1-CD2 3.9Å; I160-L163 HydrophobicContact CG1-CD2 4.44Å; I160-L163 HydrophobicContact CG2-CB 4.02Å; I160-L163 HydrophobicContact CG2-CD2 4.27Å; I160-L163 WeakPolarHBondContact O-CB 3.5Å; I160-L163 PolarHBondContact O-N 3.25Å; I160-F265 HydrophobicContact CG2-CE1 4.01Å; I160-F265 HydrophobicContact CG2-CZ 3.88Å
161P93.7Very high95Very high102 Ų10249 Ų4966%0.66227%0.27SS*.THydrogen-bonded Turntrans-56.6137.6179.8-25.134.4000112G159 L163 F265G159-P161 WeakPolarHBondContact O-CD 3.19Å; P161-L163 PolarHBondContact O-N 3.1Å; P161-F265 WeakPolarHBondContact O-CE1 3.36Å
162N93.3Very high95.1Very high70 Ų7048.6 Ų48.637%0.37427%0.266SS..THydrogen-bonded Turntrans61.817.8177.8-52.3-35.8000115.5I160 F265 Y268I160-N162 PolarHBondContact O-N 3.05Å; N162-F265 HydrophobicContact CB-CD1 4.14Å; N162-F265 VanDerWaalsContact O-CD1 3.25Å; N162-F265 WeakPolarHBondContact O-CD1 3.3Å; N162-Y268 WeakPolarHBondContact O-CD2 3.46Å
163L95.3Very high95.4Very high21 Ų2148 Ų4811%0.1126%0.261CS..THydrogen-bonded Turntrans-96.6-35.7172.8-174.162.8000112.5I160 P161 L262 P264 F265I160-L163 HydrophobicContact CB-CB 4.01Å; I160-L163 HydrophobicContact CB-CD2 3.97Å; I160-L163 HydrophobicContact CD1-CD2 3.9Å; I160-L163 HydrophobicContact CG1-CD2 4.44Å; I160-L163 HydrophobicContact CG2-CB 4.02Å; I160-L163 HydrophobicContact CG2-CD2 4.27Å; I160-L163 WeakPolarHBondContact O-CB 3.5Å; I160-L163 PolarHBondContact O-N 3.25Å; P161-L163 PolarHBondContact O-N 3.1Å; L163-L262 HydrophobicContact CD1-CD2 4.06Å; L163-P264 HydrophobicContact CD1-CB 3.97Å; L163-P264 HydrophobicContact CD1-CG 3.98Å; L163-P264 WeakPolarHBondContact O-CB 3.12Å; L163-F265 HydrophobicContact CB-CE1 3.88Å; L163-F265 HydrophobicContact CB-CZ 4.11Å; L163-F265 HydrophobicContact CD1-CE1 4.25Å; L163-F265 HydrophobicContact CD1-CE2 4.1Å; L163-F265 HydrophobicContact CD1-CZ 3.88Å; L163-F265 HydrophobicContact CG-CZ 4.43Å
164W96.6Very high95.6Very high49 Ų4943.6 Ų43.619%0.18624%0.243CC..SBendtrans-129.1146.2-178.7-61.886.5000109.9T95 V154 S157 F158 I169 I172T95-W164 HydrophobicContact CG2-CH2 4.43Å; T95-W164 HydrophobicContact CG2-CZ3 4.41Å; V154-W164 HydrophobicContact CG1-CH2 4.37Å; V154-W164 HydrophobicContact CG1-CZ2 4.14Å; S157-W164 PolarHBondContact O-NE1 3.47Å; S157-W164 PolarHBondContact OG-NE1 3.03Å; F158-W164 AromaticContact CD1-CD1 3.93Å; F158-W164 AromaticContact CD1-CD2 3.58Å; F158-W164 HydrophobicContact CD1-CD2 3.58Å; F158-W164 AromaticContact CD1-CE2 3.54Å; F158-W164 HydrophobicContact CD1-CE3 4.02Å; F158-W164 AromaticContact CD1-CG 3.88Å; F158-W164 HydrophobicContact CD1-CG 3.88Å; F158-W164 HydrophobicContact CD1-CH2 4.38Å; F158-W164 AromaticContact CD1-CZ2 3.97Å; F158-W164 HydrophobicContact CD1-CZ2 3.97Å; F158-W164 HydrophobicContact CD1-CZ3 4.39Å; F158-W164 AromaticContact CD1-NE1 3.73Å; F158-W164 AromaticContact CE1-CD2 3.72Å; F158-W164 HydrophobicContact CE1-CD2 3.72Å; F158-W164 AromaticContact CE1-CE2 3.67Å; F158-W164 AromaticContact CE1-CE3 3.7Å; F158-W164 HydrophobicContact CE1-CE3 3.7Å; F158-W164 HydrophobicContact CE1-CG 4.47Å; F158-W164 AromaticContact CE1-CH2 3.66Å; F158-W164 HydrophobicContact CE1-CH2 3.66Å; F158-W164 AromaticContact CE1-CZ2 3.66Å; F158-W164 HydrophobicContact CE1-CZ2 3.66Å; F158-W164 AromaticContact CE1-CZ3 3.66Å; F158-W164 HydrophobicContact CE1-CZ3 3.66Å; W164-I169 HydrophobicContact CB-CD1 3.77Å; W164-I169 HydrophobicContact CB-CG1 3.93Å; W164-I169 HydrophobicContact CG-CG1 4.5Å; W164-I172 HydrophobicContact CE3-CD1 4.39Å; W164-I172 HydrophobicContact CZ3-CD1 3.9Å
165K95.9Very high95.6Very high66 Ų6647.1 Ų47.129%0.28725%0.252SS..  trans-81.8142.6166.8-57.4-178.3-175.4177.70109.5E167 D168 I169 Y268K165-E167 VanDerWaalsContact C-N 3.29Å; K165-E167 HydrophobicContact CB-CG 3.9Å; K165-E167 HydrophobicContact CD-CG 4.31Å; K165-E167 PolarHBondContact O-N 3.41Å; K165-D168 HydrophobicContact CB-CB 4.17Å; K165-D168 WeakPolarHBondContact O-CB 3.4Å; K165-D168 PolarHBondContact O-N 2.86Å; K165-D168 VanDerWaalsContact O-N 3.09Å; K165-I169 PolarHBondContact O-N 3.5Å; K165-I169 VanDerWaalsContact O-N 3.09Å; K165-Y268 HydrophobicContact CD-CE1 4.13Å; K165-Y268 WeakPolarHBondContact CE-OH 3.16Å; K165-Y268 HydrophobicContact CG-CD1 4.43Å; K165-Y268 HydrophobicContact CG-CE1 3.88Å; K165-Y268 HydrophobicContact CG-CE2 4.08Å
166Q94.4Very high95.7Very high99 Ų9947.3 Ų47.346%0.46325%0.253SS..Hα-helixtrans-63.2-38.1-179.8-155.663.513.600112.5D168 I169 A170 D197Q166-D168 VanDerWaalsContact C-N 3.31Å; Q166-D168 PolarHBondContact O-N 3.24Å; Q166-I169 PolarHBondContact O-N 3.45Å; Q166-A170 PolarHBondContact O-N 3.27Å; Q166-D197 PolarHBondContact NE2-OD2 3.26Å
167E96.1Very high95.8Very high133 Ų13343.7 Ų43.762%0.62124%0.236SC*.Hα-helixtrans-61.2-37.717465-147.3-139.400112.8K165 E171K165-E167 VanDerWaalsContact C-N 3.29Å; K165-E167 HydrophobicContact CB-CG 3.9Å; K165-E167 HydrophobicContact CD-CG 4.31Å; K165-E167 PolarHBondContact O-N 3.41Å; E167-E171 WeakPolarHBondContact O-CB 3.27Å; E167-E171 PolarHBondContact O-N 2.84Å
168D97Very high96Very high9 Ų943 Ų435%0.04823%0.231CC..Hα-helixtrans-68.7-42.7177.3-73.6-32000110.5S96 R100 K165 Q166 E171 I172S96-D168 VanDerWaalsContact CB-OD1 3.3Å; S96-D168 WeakPolarHBondContact CB-OD1 3.34Å; S96-D168 PolarHBondContact OG-OD1 3.12Å; R100-D168 IonicContact NH2-OD1 2.84Å; R100-D168 PolarHBondContact NH2-OD1 3.43Å; K165-D168 HydrophobicContact CB-CB 4.17Å; K165-D168 WeakPolarHBondContact O-CB 3.4Å; K165-D168 PolarHBondContact O-N 2.86Å; K165-D168 VanDerWaalsContact O-N 3.09Å; Q166-D168 VanDerWaalsContact C-N 3.31Å; Q166-D168 PolarHBondContact O-N 3.24Å; D168-E171 PolarHBondContact O-N 3.29Å; D168-I172 WeakPolarHBondContact O-CB 3.16Å; D168-I172 WeakPolarHBondContact O-CD1 3.3Å; D168-I172 WeakPolarHBondContact O-CG1 3.41Å; D168-I172 PolarHBondContact O-N 3.36Å
169I97Very high96.1Very high4 Ų442.2 Ų42.22%0.02123%0.228CC..Hα-helixtrans-58.9-51.6175.8-64.9165.2000109.7F158 W164 K165 Q166 E171 I172 V173 L198F158-I169 HydrophobicContact CB-CD1 3.88Å; F158-I169 HydrophobicContact CB-CG1 4.36Å; F158-I169 HydrophobicContact CD1-CD1 4.43Å; F158-I169 HydrophobicContact CD1-CG1 4.1Å; F158-I169 HydrophobicContact CD2-CG1 4.43Å; F158-I169 HydrophobicContact CD2-CG2 3.96Å; F158-I169 HydrophobicContact CE1-CG1 4.5Å; F158-I169 HydrophobicContact CE2-CG2 4.23Å; F158-I169 HydrophobicContact CG-CD1 4.14Å; F158-I169 HydrophobicContact CG-CG1 4.06Å; F158-I169 HydrophobicContact CG-CG2 4.38Å; W164-I169 HydrophobicContact CB-CD1 3.77Å; W164-I169 HydrophobicContact CB-CG1 3.93Å; W164-I169 HydrophobicContact CG-CG1 4.5Å; K165-I169 PolarHBondContact O-N 3.5Å; K165-I169 VanDerWaalsContact O-N 3.09Å; Q166-I169 PolarHBondContact O-N 3.45Å; I169-E171 VanDerWaalsContact C-N 3.29Å; I169-E171 PolarHBondContact O-N 3.47Å; I169-I172 PolarHBondContact O-N 3.41Å; I169-V173 WeakPolarHBondContact O-CG2 3.35Å; I169-V173 PolarHBondContact O-N 3.34Å; I169-L198 HydrophobicContact CG2-CD2 3.93Å
170A96.3Very high96.3Very high27 Ų2739.8 Ų39.822%0.22320%0.203CC..Hα-helixtrans-60.6-37.3-179.700000112.5Q166 G174Q166-A170 PolarHBondContact O-N 3.27Å; A170-G174 WeakPolarHBondContact O-CA 3.49Å; A170-G174 PolarHBondContact O-N 3.05Å
171E97.1Very high96.3Very high36 Ų3636.3 Ų36.317%0.16819%0.185CC..Hα-helixtrans-66-47.9174.1-165.1-165.9162.700111.4R100 E167 D168 I169 R175 Y176R100-E171 WeakPolarHBondContact CG-OE1 3.34Å; R100-E171 IonicContact CZ-OE1 2.79Å; R100-E171 IonicContact CZ-OE2 3.37Å; R100-E171 VanDerWaalsContact CZ-OE2 3.24Å; R100-E171 IonicContact NE-OE1 3.78Å; R100-E171 PolarHBondContact NE-OE1 3.3Å; R100-E171 IonicContact NE-OE2 2.7Å; R100-E171 PolarHBondContact NE-OE2 3.36Å; R100-E171 IonicContact NH2-OE2 2.73Å; R100-E171 PolarHBondContact NH2-OE2 3.15Å; E167-E171 WeakPolarHBondContact O-CB 3.27Å; E167-E171 PolarHBondContact O-N 2.84Å; D168-E171 PolarHBondContact O-N 3.29Å; I169-E171 VanDerWaalsContact C-N 3.29Å; I169-E171 PolarHBondContact O-N 3.47Å; E171-R175 HydrophobicContact CG-CB 4.34Å; E171-R175 VanDerWaalsContact O-CB 3.28Å; E171-R175 WeakPolarHBondContact O-CB 3.47Å; E171-R175 PolarHBondContact O-N 3.42Å; E171-Y176 HydrophobicContact CG-CD2 4.47Å; E171-Y176 HydrophobicContact CG-CE2 3.76Å; E171-Y176 WeakPolarHBondContact O-CD2 3.24Å; E171-Y176 VanDerWaalsContact OE1-CE2 3.3Å; E171-Y176 WeakPolarHBondContact OE1-CE2 3.31Å; E171-Y176 PolarHBondContact OE1-OH 3.18Å
172I97.8Very high96.1Very high0 Ų031.5 Ų31.50%015%0.154CC..Iπ-helixtrans-57.1-56.8-178.7-69.6166.6000110.6I99 L148 W164 D168 I169 Y176 G177 L178I99-I172 HydrophobicContact CD1-CD1 4.23Å; I99-I172 HydrophobicContact CD1-CG1 3.75Å; I99-I172 HydrophobicContact CD1-CG2 4.2Å; L148-I172 HydrophobicContact CB-CG2 4.33Å; L148-I172 HydrophobicContact CD2-CG2 3.87Å; W164-I172 HydrophobicContact CE3-CD1 4.39Å; W164-I172 HydrophobicContact CZ3-CD1 3.9Å; D168-I172 WeakPolarHBondContact O-CB 3.16Å; D168-I172 WeakPolarHBondContact O-CD1 3.3Å; D168-I172 WeakPolarHBondContact O-CG1 3.41Å; D168-I172 PolarHBondContact O-N 3.36Å; I169-I172 PolarHBondContact O-N 3.41Å; I172-Y176 PolarHBondContact O-N 3.1Å; I172-G177 PolarHBondContact O-N 3.11Å; I172-L178 HydrophobicContact CG2-CD1 4.45Å
173V97Very high95.6Very high0 Ų032 Ų320%015%0.151CC..Iπ-helixtrans-78.6-27.1-175.6-60.50000113F158 I169 L178 L198 Y201 N204 I205F158-V173 HydrophobicContact CE2-CG1 4.32Å; I169-V173 WeakPolarHBondContact O-CG2 3.35Å; I169-V173 PolarHBondContact O-N 3.34Å; V173-L178 HydrophobicContact CG1-CB 4.33Å; V173-L178 HydrophobicContact CG1-CD1 4.24Å; V173-L198 HydrophobicContact CG1-CD2 3.88Å; V173-L198 HydrophobicContact CG2-CD2 4.21Å; V173-Y201 HydrophobicContact CG2-CD2 3.57Å; V173-Y201 HydrophobicContact CG2-CE2 4.48Å; V173-Y201 HydrophobicContact CG2-CG 4.05Å; V173-N204 WeakPolarHBondContact O-CB 3.37Å; V173-N204 PolarHBondContact O-ND2 3.18Å; V173-I205 HydrophobicContact CB-CD1 4.09Å; V173-I205 HydrophobicContact CB-CG1 4.14Å; V173-I205 HydrophobicContact CG1-CD1 3.9Å; V173-I205 HydrophobicContact CG1-CG1 4.08Å
174G95.7Very high94.3Very high25 Ų2535.6 Ų35.626%0.25818%0.177SC..Iπ-helixtrans-85.4-46.8-177.200000113.9A170A170-G174 WeakPolarHBondContact O-CA 3.49Å; A170-G174 PolarHBondContact O-N 3.05Å
175R95.4Very high92.9Very high113 Ų11337.4 Ų37.443%0.42621%0.212SC..Iπ-helixtrans-88.3-43-173.8-175.7175.5176.5174-1.1112.6R141 E171R141-R175 PolarHBondContact NH1-O 3.4Å; R141-R175 PolarHBondContact NH2-O 3.19Å; E171-R175 HydrophobicContact CG-CB 4.34Å; E171-R175 VanDerWaalsContact O-CB 3.28Å; E171-R175 WeakPolarHBondContact O-CB 3.47Å; E171-R175 PolarHBondContact O-N 3.42Å
176Y96.6Very high91.7Very high4 Ų436 Ų362%0.01622%0.215CC..Iπ-helixtrans-99.6-67.8-170.8-55.5-74.4000110.5I99 R100 Y103 L146 E171 I172 N204I99-Y176 HydrophobicContact CG2-CD1 3.49Å; I99-Y176 VanDerWaalsContact CG2-CD1 3.49Å; I99-Y176 HydrophobicContact CG2-CD2 3.4Å; I99-Y176 VanDerWaalsContact CG2-CD2 3.4Å; I99-Y176 HydrophobicContact CG2-CE1 3.7Å; I99-Y176 HydrophobicContact CG2-CE2 3.56Å; I99-Y176 HydrophobicContact CG2-CG 3.35Å; R100-Y176 WeakPolarHBondContact CG-OH 3.47Å; Y103-Y176 AromaticContact CD1-CE1 3.88Å; Y103-Y176 HydrophobicContact CD1-CE1 3.88Å; Y103-Y176 HydrophobicContact CD2-CD1 4.23Å; Y103-Y176 HydrophobicContact CD2-CE1 4.15Å; Y103-Y176 HydrophobicContact CG-CD1 4.2Å; Y103-Y176 AromaticContact CG-CE1 3.67Å; Y103-Y176 HydrophobicContact CG-CE1 3.67Å; L146-Y176 CarbonylContact O-C 3.56Å; L146-Y176 WeakPolarHBondContact O-CA 3.37Å; L146-Y176 VanDerWaalsContact O-CB 3.29Å; L146-Y176 WeakPolarHBondContact O-CB 3.3Å; E171-Y176 HydrophobicContact CG-CD2 4.47Å; E171-Y176 HydrophobicContact CG-CE2 3.76Å; E171-Y176 WeakPolarHBondContact O-CD2 3.24Å; E171-Y176 VanDerWaalsContact OE1-CE2 3.3Å; E171-Y176 WeakPolarHBondContact OE1-CE2 3.31Å; E171-Y176 PolarHBondContact OE1-OH 3.18Å; I172-Y176 PolarHBondContact O-N 3.1Å; Y176-N204 PolarHBondContact O-ND2 2.62Å
177G97.1Very high91.3Very high0 Ų035.2 Ų35.20%022%0.215CC..  trans123.9161.4-175.700000111.5M147 L148 I172 N204M147-G177 WeakPolarHBondContact CA-O 3.47Å; L148-G177 PolarHBondContact N-O 2.91Å; I172-G177 PolarHBondContact O-N 3.11Å; G177-N204 VanDerWaalsContact CA-CG 3.5Å; G177-N204 WeakPolarHBondContact CA-ND2 3.46Å; G177-N204 WeakPolarHBondContact CA-O 3.3Å; G177-N204 PolarHBondContact N-ND2 3.28Å
178L98.4Very high91.1Very high0 Ų029 Ų290%019%0.186CC..EExtended strand (participates in β ladder)trans-136.6132.3-175.3-171.1149000110L148 L155 F158 I172 V173 C180 N204 I205 H206L148-L178 HydrophobicContact CD2-CD1 4.26Å; L148-L178 CarbonylContact O-C 3.42Å; L148-L178 WeakPolarHBondContact O-CA 3.45Å; L155-L178 HydrophobicContact CD1-CD1 4.22Å; L155-L178 HydrophobicContact CD1-CD2 4.24Å; F158-L178 HydrophobicContact CE2-CD1 3.79Å; F158-L178 HydrophobicContact CZ-CD1 3.84Å; I172-L178 HydrophobicContact CG2-CD1 4.45Å; V173-L178 HydrophobicContact CG1-CB 4.33Å; V173-L178 HydrophobicContact CG1-CD1 4.24Å; L178-C180 HydrophobicContact CD2-CB 3.61Å; L178-N204 PolarHBondContact N-O 2.85Å; L178-I205 HydrophobicContact CD2-CG2 3.97Å; L178-I205 CarbonylContact O-C 3.59Å; L178-I205 WeakPolarHBondContact O-CA 3.46Å; L178-H206 PolarHBondContact O-N 2.87Å
179V98.6Very high90.9Very high0 Ų033.3 Ų33.30%021%0.205CC..EExtended strand (participates in β ladder)trans-114.5108.5171-171.50000107.8L11 A31 L35 M147 L148 L149 C150 H206 V208L11-V179 HydrophobicContact CD2-CG2 3.95Å; A31-V179 HydrophobicContact CB-CG1 3.68Å; L35-V179 HydrophobicContact CD1-CG2 4.02Å; L35-V179 HydrophobicContact CD2-CG2 4.41Å; L35-V179 HydrophobicContact CG-CG2 4.46Å; M147-V179 HydrophobicContact CB-CG2 4.17Å; M147-V179 HydrophobicContact SD-CG2 3.93Å; L148-V179 PolarHBondContact O-N 3.43Å; L149-V179 WeakPolarHBondContact CA-O 3.4Å; L149-V179 HydrophobicContact CD1-CB 4.21Å; L149-V179 HydrophobicContact CD1-CG1 4.25Å; C150-V179 PolarHBondContact N-O 3.39Å; V179-H206 CarbonylContact C-O 3.57Å; V179-H206 WeakPolarHBondContact CA-O 3.41Å; V179-H206 HydrophobicContact CG1-CB 4.25Å; V179-H206 HydrophobicContact CG2-CB 4.25Å; V179-V208 HydrophobicContact CG1-CG2 3.64Å
180C97.6Very high90.7Very high0 Ų038.7 Ų38.70%023%0.228CC..EExtended strand (participates in β ladder)trans-101107.4-177.3177.80000109.8C150 A152 L155 L178 H206 V208C150-C180 CarbonylContact O-C 3.51Å; C150-C180 WeakPolarHBondContact O-CA 3.37Å; A152-C180 VanDerWaalsContact CA-SG 3.56Å; L155-C180 HydrophobicContact CD2-CB 4.13Å; L178-C180 HydrophobicContact CD2-CB 3.61Å; C180-H206 PolarHBondContact N-O 2.68Å; C180-V208 PolarHBondContact O-N 2.99Å
181V95.4Very high90.6Very high4 Ų439.5 Ų39.52%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-84.4116.9171.6-177.60000109M27 L30 A31 L149 C150 G151 A152 V208M27-V181 HydrophobicContact CB-CB 4.49Å; M27-V181 HydrophobicContact CB-CG2 4.19Å; M27-V181 HydrophobicContact CE-CB 4.48Å; M27-V181 HydrophobicContact CG-CB 4.04Å; M27-V181 HydrophobicContact CG-CG1 4.08Å; M27-V181 HydrophobicContact CG-CG2 4.29Å; L30-V181 HydrophobicContact CB-CG1 4.49Å; L30-V181 HydrophobicContact CB-CG2 4.44Å; L30-V181 HydrophobicContact CD1-CG1 3.68Å; A31-V181 HydrophobicContact CB-CG2 4.46Å; L149-V181 HydrophobicContact CD1-CG2 3.86Å; C150-V181 PolarHBondContact O-N 3.1Å; G151-V181 WeakPolarHBondContact CA-O 3.27Å; A152-V181 PolarHBondContact N-O 3.44Å; V181-V208 WeakPolarHBondContact CA-O 3.36Å; V181-V208 HydrophobicContact CG2-CB 4.2Å
182T90.6Very high90.6Very high2 Ų238.2 Ų38.21%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-109.4147.9-178.8-169.40000112.6P188 V207 V208 E210T182-P188 HydrophobicContact CG2-CG 3.98Å; T182-V207 HydrophobicContact CG2-CG1 4Å; T182-V208 PolarHBondContact N-O 3.25Å; T182-E210 PolarHBondContact O-N 2.92Å; T182-E210 VanDerWaalsContact O-N 3.14Å
183R81.8Confident90.5Very high80 Ų8042.8 Ų42.830%0.30225%0.246SC..  trans-106.6170175.6-54.8178.8-164.2167.34.6109.1M23 G185 D215M23-R183 HydrophobicContact CE-CG 4.13Å; R183-G185 PolarHBondContact O-N 3.29Å; R183-G185 VanDerWaalsContact O-N 3.09Å; R183-D215 IonicContact CZ-OD1 3.91Å; R183-D215 IonicContact NH1-OD1 3.89Å; R183-D215 PolarHBondContact NH1-OD1 3.35Å
184S67.7Low90.3Very high96 Ų9649.2 Ų49.267%0.67128%0.276SS*.THydrogen-bonded Turntrans-57.3111.5169.244.50000111.2
185G66.7Low90.3Very high88 Ų8849.4 Ų49.491%0.90727%0.273SS*.THydrogen-bonded Turntrans141.8-29.4172.600000115.3R183R183-G185 PolarHBondContact O-N 3.29Å; R183-G185 VanDerWaalsContact O-N 3.09Å
186G70.7Confident90.1Very high35 Ų3550.8 Ų50.836%0.36129%0.289SS..  trans-99.7158.9175.400000112.5P188G186-P188 VanDerWaalsContact C-CD 3.49Å
187D87.3Confident89.8Confident84 Ų8453 Ų5345%0.44930%0.301SS..  trans-125.477.7172.4-170.4-11.4000110.3H189 K190 F191D187-H189 PolarHBondContact O-N 3.35Å; D187-H189 PolarHBondContact OD1-N 2.94Å; D187-K190 HydrophobicContact CB-CB 3.91Å; D187-K190 PolarHBondContact O-N 3.28Å; D187-K190 VanDerWaalsContact O-N 3.16Å; D187-K190 PolarHBondContact OD1-N 2.88Å; D187-K190 VanDerWaalsContact OD2-CB 3.27Å; D187-K190 WeakPolarHBondContact OD2-CB 3.27Å; D187-F191 PolarHBondContact O-N 3.39Å
188P91.4Very high89.7Confident2 Ų253.1 Ų53.11%0.01330%0.302CS..Hα-helixtrans-53.2-35.3175.8-28.735.5000113A152 L155 T182 G186 F191 I192 V207A152-P188 HydrophobicContact CB-CG 4.02Å; L155-P188 HydrophobicContact CD2-CB 3.82Å; T182-P188 HydrophobicContact CG2-CG 3.98Å; G186-P188 VanDerWaalsContact C-CD 3.49Å; P188-F191 PolarHBondContact O-N 3.24Å; P188-I192 WeakPolarHBondContact O-CB 3.49Å; P188-I192 WeakPolarHBondContact O-CD1 3.38Å; P188-I192 WeakPolarHBondContact O-CG1 3.47Å; P188-I192 PolarHBondContact O-N 3.01Å; P188-V207 HydrophobicContact CB-CG1 3.92Å; P188-V207 HydrophobicContact CB-CG2 4.01Å; P188-V207 HydrophobicContact CG-CG1 4.12Å
189H92.6Very high89.6Confident100 Ų10058.4 Ų58.446%0.46332%0.322SS..Hα-helixtrans-66.1-43.8-179.4-73.8-67.2000111.4D187 N193 H209D187-H189 PolarHBondContact O-N 3.35Å; D187-H189 PolarHBondContact OD1-N 2.94Å; H189-N193 WeakPolarHBondContact O-CB 3.36Å; H189-N193 PolarHBondContact O-N 3.18Å; H189-H209 AromaticContact CD2-NE2 3.97Å; H189-H209 AromaticContact NE2-NE2 3.7Å
190K93.4Very high89.5Confident116 Ų11664.8 Ų64.850%0.50435%0.349SS..Hα-helixtrans-62-45.2172.4179.8-179.2178.5-175.70111.8D187 I192 N193 Q194D187-K190 HydrophobicContact CB-CB 3.91Å; D187-K190 PolarHBondContact O-N 3.28Å; D187-K190 VanDerWaalsContact O-N 3.16Å; D187-K190 PolarHBondContact OD1-N 2.88Å; D187-K190 VanDerWaalsContact OD2-CB 3.27Å; D187-K190 WeakPolarHBondContact OD2-CB 3.27Å; K190-I192 PolarHBondContact O-N 3.32Å; K190-N193 PolarHBondContact O-N 3.09Å; K190-Q194 HydrophobicContact CG-CG 4.48Å; K190-Q194 VanDerWaalsContact O-CG 3.3Å; K190-Q194 WeakPolarHBondContact O-CG 3.27Å; K190-Q194 PolarHBondContact O-N 2.88Å
191F94.7Very high89.5Confident44 Ų4468 Ų6819%0.19336%0.362CS..Hα-helixtrans-60.8-45178.8-175.9-101.5000112.2L155 E156 F158 D187 P188 N193 Q194 S195 L198L155-F191 HydrophobicContact CG-CD1 4.02Å; L155-F191 HydrophobicContact CG-CE1 4.31Å; L155-F191 WeakPolarHBondContact O-CE1 3.45Å; E156-F191 HydrophobicContact CG-CD2 4.47Å; E156-F191 HydrophobicContact CG-CG 4.32Å; F158-F191 HydrophobicContact CB-CE1 4.3Å; F158-F191 HydrophobicContact CB-CZ 4.3Å; D187-F191 PolarHBondContact O-N 3.39Å; P188-F191 PolarHBondContact O-N 3.24Å; F191-N193 VanDerWaalsContact C-N 3.32Å; F191-N193 PolarHBondContact O-N 2.85Å; F191-Q194 PolarHBondContact O-N 3.33Å; F191-S195 PolarHBondContact O-N 3.12Å; F191-L198 HydrophobicContact CD1-CD1 3.72Å; F191-L198 HydrophobicContact CE1-CD1 3.44Å; F191-L198 VanDerWaalsContact CE1-CD1 3.44Å; F191-L198 HydrophobicContact CZ-CD1 4.43Å
192I95.7Very high89.5Confident10 Ų1072.7 Ų72.75%0.05138%0.38CS..Hα-helixtrans-61.6-39.7174.9-67.8160.8000111.2L155 P188 K190 Q194 S195 L198 W199 R202 I205 V207L155-I192 HydrophobicContact CD2-CD1 4.16Å; L155-I192 HydrophobicContact CD2-CG1 4.19Å; P188-I192 WeakPolarHBondContact O-CB 3.49Å; P188-I192 WeakPolarHBondContact O-CD1 3.38Å; P188-I192 WeakPolarHBondContact O-CG1 3.47Å; P188-I192 PolarHBondContact O-N 3.01Å; K190-I192 PolarHBondContact O-N 3.32Å; I192-Q194 VanDerWaalsContact C-N 3.31Å; I192-Q194 PolarHBondContact O-N 3.23Å; I192-S195 PolarHBondContact O-N 3.36Å; I192-L198 HydrophobicContact CB-CB 4.46Å; I192-L198 HydrophobicContact CG1-CB 4.48Å; I192-L198 HydrophobicContact CG2-CB 4.17Å; I192-W199 HydrophobicContact CG2-CE3 4.42Å; I192-W199 PolarHBondContact O-N 2.84Å; I192-R202 HydrophobicContact CG2-CB 3.96Å; I192-I205 HydrophobicContact CD1-CB 4.44Å; I192-I205 HydrophobicContact CD1-CG2 3.63Å; I192-I205 HydrophobicContact CG1-CG2 4.43Å; I192-V207 HydrophobicContact CD1-CG2 3.72Å
193N95.4Very high89.8Confident95 Ų9581.1 Ų81.151%0.50842%0.416SS..Hα-helixtrans-67.5-31179.1-177.6-107.7000113.3H189 K190 F191 S195 W199H189-N193 WeakPolarHBondContact O-CB 3.36Å; H189-N193 PolarHBondContact O-N 3.18Å; K190-N193 PolarHBondContact O-N 3.09Å; F191-N193 VanDerWaalsContact C-N 3.32Å; F191-N193 PolarHBondContact O-N 2.85Å; N193-S195 VanDerWaalsContact C-N 3.33Å; N193-W199 HydrophobicContact CB-CE3 4.27Å; N193-W199 HydrophobicContact CB-CZ3 4.24Å; N193-W199 WeakPolarHBondContact ND2-CZ3 3.29Å
194Q94.6Very high90.5Very high135 Ų13578.8 Ų78.863%0.63141%0.41SS*.THydrogen-bonded Turntrans-83.4-6.3-179-70.3177.5-26.600113.9K190 F191 I192K190-Q194 HydrophobicContact CG-CG 4.48Å; K190-Q194 VanDerWaalsContact O-CG 3.3Å; K190-Q194 WeakPolarHBondContact O-CG 3.27Å; K190-Q194 PolarHBondContact O-N 2.88Å; F191-Q194 PolarHBondContact O-N 3.33Å; I192-Q194 VanDerWaalsContact C-N 3.31Å; I192-Q194 PolarHBondContact O-N 3.23Å
195S94.4Very high91.9Very high29 Ų2974.8 Ų74.820%0.20338%0.381CS..  trans-115.5118.7-179.9173.80000110.7F191 I192 N193 D197 L198 W199F191-S195 PolarHBondContact O-N 3.12Å; I192-S195 PolarHBondContact O-N 3.36Å; N193-S195 VanDerWaalsContact C-N 3.33Å; S195-D197 VanDerWaalsContact C-N 3.3Å; S195-D197 PolarHBondContact O-N 2.69Å; S195-L198 PolarHBondContact O-N 3.4Å; S195-L198 WeakPolarHBondContact OG-CG 3.48Å; S195-L198 PolarHBondContact OG-N 3.21Å; S195-W199 VanDerWaalsContact O-CB 3.24Å; S195-W199 WeakPolarHBondContact O-CB 3.46Å; S195-W199 PolarHBondContact O-N 3.11Å
196D92.3Very high93.4Very high142 Ų14271.7 Ų71.776%0.75934%0.342SS*.Hα-helixtrans-59.9-40.6179.6-73.7-24.1000112.3K200D196-K200 VanDerWaalsContact O-CB 3.27Å; D196-K200 WeakPolarHBondContact O-CB 3.31Å; D196-K200 PolarHBondContact O-N 3.32Å
197D89.1Confident94.6Very high52 Ų5270.8 Ų70.828%0.27833%0.33SS..Hα-helixtrans-66.8-42.2179.2-73.3-47.5000112.2Q166 S195 Y201Q166-D197 PolarHBondContact NE2-OD2 3.26Å; S195-D197 VanDerWaalsContact C-N 3.3Å; S195-D197 PolarHBondContact O-N 2.69Å; D197-Y201 WeakPolarHBondContact O-CD2 3.21Å
198L95.8Very high95Very high1 Ų167 Ų671%0.00531%0.31CS..Hα-helixtrans-71.5-41.8177-59.3-180000111.3L155 F158 I169 V173 F191 I192 S195 K200 Y201 R202 I205L155-L198 HydrophobicContact CD1-CD1 4.25Å; F158-L198 HydrophobicContact CD2-CD1 4.43Å; F158-L198 HydrophobicContact CD2-CD2 3.95Å; F158-L198 HydrophobicContact CE2-CD2 4.28Å; I169-L198 HydrophobicContact CG2-CD2 3.93Å; V173-L198 HydrophobicContact CG1-CD2 3.88Å; V173-L198 HydrophobicContact CG2-CD2 4.21Å; F191-L198 HydrophobicContact CD1-CD1 3.72Å; F191-L198 HydrophobicContact CE1-CD1 3.44Å; F191-L198 VanDerWaalsContact CE1-CD1 3.44Å; F191-L198 HydrophobicContact CZ-CD1 4.43Å; I192-L198 HydrophobicContact CB-CB 4.46Å; I192-L198 HydrophobicContact CG1-CB 4.48Å; I192-L198 HydrophobicContact CG2-CB 4.17Å; S195-L198 PolarHBondContact O-N 3.4Å; S195-L198 WeakPolarHBondContact OG-CG 3.48Å; S195-L198 PolarHBondContact OG-N 3.21Å; L198-K200 VanDerWaalsContact C-N 3.3Å; L198-K200 PolarHBondContact O-N 3.35Å; L198-Y201 CarbonylContact O-C 3.27Å; L198-Y201 PolarHBondContact O-N 2.62Å; L198-Y201 VanDerWaalsContact O-N 3.15Å; L198-R202 WeakPolarHBondContact O-CA 3.22Å; L198-R202 PolarHBondContact O-N 3.49Å; L198-I205 HydrophobicContact CB-CD1 4.08Å; L198-I205 HydrophobicContact CD2-CD1 4.11Å
199W96.4Very high95.1Very high111 Ų11171 Ų7142%0.4233%0.328SS..Hα-helixtrans-61.7-38.9179.2-176.7-104.8000112.4I192 N193 S195 Y201 R202I192-W199 HydrophobicContact CG2-CE3 4.42Å; I192-W199 PolarHBondContact O-N 2.84Å; N193-W199 HydrophobicContact CB-CE3 4.27Å; N193-W199 HydrophobicContact CB-CZ3 4.24Å; N193-W199 WeakPolarHBondContact ND2-CZ3 3.29Å; S195-W199 VanDerWaalsContact O-CB 3.24Å; S195-W199 WeakPolarHBondContact O-CB 3.46Å; S195-W199 PolarHBondContact O-N 3.11Å; W199-Y201 VanDerWaalsContact C-N 3.27Å; W199-Y201 PolarHBondContact O-N 3.39Å; W199-R202 WeakPolarHBondContact O-CB 3.46Å; W199-R202 WeakPolarHBondContact O-CD 3.27Å; W199-R202 VanDerWaalsContact O-CG 3.32Å; W199-R202 WeakPolarHBondContact O-CG 3.44Å; W199-R202 PolarHBondContact O-N 2.94Å; W199-R202 PolarHBondContact O-NH1 3.19Å; W199-R202 VanDerWaalsContact O-NH1 3.08Å
200K96.2Very high95Very high134 Ų13467.4 Ų67.458%0.58331%0.311SS*.Hα-helixtrans-55.2-42.8174.7180-178.9178.7-174.60111.7D196 L198D196-K200 VanDerWaalsContact O-CB 3.27Å; D196-K200 WeakPolarHBondContact O-CB 3.31Å; D196-K200 PolarHBondContact O-N 3.32Å; L198-K200 VanDerWaalsContact C-N 3.3Å; L198-K200 PolarHBondContact O-N 3.35Å
201Y96.6Very high94.7Very high69 Ų6972.5 Ų72.527%0.27133%0.327SS..THydrogen-bonded Turntrans-10312.9-177.9-57.4-67.4000114.2V173 D197 L198 W199 K203 N204V173-Y201 HydrophobicContact CG2-CD2 3.57Å; V173-Y201 HydrophobicContact CG2-CE2 4.48Å; V173-Y201 HydrophobicContact CG2-CG 4.05Å; D197-Y201 WeakPolarHBondContact O-CD2 3.21Å; L198-Y201 CarbonylContact O-C 3.27Å; L198-Y201 PolarHBondContact O-N 2.62Å; L198-Y201 VanDerWaalsContact O-N 3.15Å; W199-Y201 VanDerWaalsContact C-N 3.27Å; W199-Y201 PolarHBondContact O-N 3.39Å; Y201-K203 PolarHBondContact O-N 3.32Å; Y201-N204 WeakPolarHBondContact O-CA 3.27Å; Y201-N204 WeakPolarHBondContact O-CB 3.14Å; Y201-N204 PolarHBondContact O-N 3.41Å
202R96.6Very high94.3Very high102 Ų10275.2 Ų75.239%0.38535%0.347SS..G310 helixtrans-53-25.5-173.474.4-168.9-177.9-73.50.2115.9I192 L198 W199 N204 I205I192-R202 HydrophobicContact CG2-CB 3.96Å; L198-R202 WeakPolarHBondContact O-CA 3.22Å; L198-R202 PolarHBondContact O-N 3.49Å; W199-R202 WeakPolarHBondContact O-CB 3.46Å; W199-R202 WeakPolarHBondContact O-CD 3.27Å; W199-R202 VanDerWaalsContact O-CG 3.32Å; W199-R202 WeakPolarHBondContact O-CG 3.44Å; W199-R202 PolarHBondContact O-N 2.94Å; W199-R202 PolarHBondContact O-NH1 3.19Å; W199-R202 VanDerWaalsContact O-NH1 3.08Å; R202-N204 PolarHBondContact O-N 3.09Å; R202-I205 PolarHBondContact O-N 3.36Å; R202-I205 VanDerWaalsContact O-O 3.11Å
203K95.6Very high93.7Very high178 Ų17880 Ų8077%0.77438%0.377SS*.G310 helixtrans-70.3-19.4176.4-67.4-172.9178-176.20113.1Y201Y201-K203 PolarHBondContact O-N 3.32Å
204N96.8Very high93Very high32 Ų3277.3 Ų77.317%0.17136%0.363CS..G310 helixtrans-101.910.5176-15632.1000111.7V173 Y176 G177 L178 Y201 R202V173-N204 WeakPolarHBondContact O-CB 3.37Å; V173-N204 PolarHBondContact O-ND2 3.18Å; Y176-N204 PolarHBondContact O-ND2 2.62Å; G177-N204 VanDerWaalsContact CA-CG 3.5Å; G177-N204 WeakPolarHBondContact CA-ND2 3.46Å; G177-N204 WeakPolarHBondContact CA-O 3.3Å; G177-N204 PolarHBondContact N-ND2 3.28Å; L178-N204 PolarHBondContact N-O 2.85Å; Y201-N204 WeakPolarHBondContact O-CA 3.27Å; Y201-N204 WeakPolarHBondContact O-CB 3.14Å; Y201-N204 PolarHBondContact O-N 3.41Å; R202-N204 PolarHBondContact O-N 3.09Å
205I97.8Very high92.4Very high12 Ų1275.4 Ų75.46%0.06236%0.357CS..EExtended strand (participates in β ladder)trans-116.5108.1175.8-55.1176000107.5V173 L178 I192 L198 R202V173-I205 HydrophobicContact CB-CD1 4.09Å; V173-I205 HydrophobicContact CB-CG1 4.14Å; V173-I205 HydrophobicContact CG1-CD1 3.9Å; V173-I205 HydrophobicContact CG1-CG1 4.08Å; L178-I205 HydrophobicContact CD2-CG2 3.97Å; L178-I205 CarbonylContact O-C 3.59Å; L178-I205 WeakPolarHBondContact O-CA 3.46Å; I192-I205 HydrophobicContact CD1-CB 4.44Å; I192-I205 HydrophobicContact CD1-CG2 3.63Å; I192-I205 HydrophobicContact CG1-CG2 4.43Å; L198-I205 HydrophobicContact CB-CD1 4.08Å; L198-I205 HydrophobicContact CD2-CD1 4.11Å; R202-I205 PolarHBondContact O-N 3.36Å; R202-I205 VanDerWaalsContact O-O 3.11Å
206H98Very high92.1Very high23 Ų2375.4 Ų75.411%0.10636%0.355CS..EExtended strand (participates in β ladder)trans-97.2112.3-178.9-57.8-88.3000109.1L35 Y41 L178 V179 C180L35-H206 HydrophobicContact CD2-CB 4.39Å; Y41-H206 AromaticContact CE2-CE1 3.72Å; Y41-H206 AromaticContact CZ-CE1 3.97Å; L178-H206 PolarHBondContact O-N 2.87Å; V179-H206 CarbonylContact C-O 3.57Å; V179-H206 WeakPolarHBondContact CA-O 3.41Å; V179-H206 HydrophobicContact CG1-CB 4.25Å; V179-H206 HydrophobicContact CG2-CB 4.25Å; C180-H206 PolarHBondContact N-O 2.68Å
207V96.9Very high92.1Very high15 Ų1570.1 Ų70.19%0.09133%0.329CS..EExtended strand (participates in β ladder)trans-92.8120.6175-178.60000108.6T182 P188 I192T182-V207 HydrophobicContact CG2-CG1 4Å; P188-V207 HydrophobicContact CB-CG1 3.92Å; P188-V207 HydrophobicContact CB-CG2 4.01Å; P188-V207 HydrophobicContact CG-CG1 4.12Å; I192-V207 HydrophobicContact CD1-CG2 3.72Å
208V95.7Very high92.5Very high5 Ų568.4 Ų68.43%0.0332%0.322CS..EExtended strand (participates in β ladder)trans-111.2120-177.6-173.10000109.1L30 H34 V179 C180 V181 T182L30-V208 HydrophobicContact CB-CG1 4.17Å; H34-V208 HydrophobicContact CB-CB 4.45Å; H34-V208 HydrophobicContact CB-CG1 3.87Å; H34-V208 HydrophobicContact CB-CG2 3.77Å; V179-V208 HydrophobicContact CG1-CG2 3.64Å; C180-V208 PolarHBondContact O-N 2.99Å; V181-V208 WeakPolarHBondContact CA-O 3.36Å; V181-V208 HydrophobicContact CG2-CB 4.2Å; T182-V208 PolarHBondContact N-O 3.25Å
209H92.3Very high92.5Very high87 Ų8771.8 Ų71.840%0.40334%0.343SS..EExtended strand (participates in β ladder)trans-87123.1176.6-71.9-77.4000110.6H189 W211H189-H209 AromaticContact CD2-NE2 3.97Å; H189-H209 AromaticContact NE2-NE2 3.7Å; H209-W211 HydrophobicContact CB-CZ2 4.22Å
210E90.3Very high92.5Very high23 Ų2370.4 Ų70.411%0.10734%0.341CS..  trans-87.1114.2166.617758.6140.900110R26 L30 T182 V212R26-E210 IonicContact CZ-OE1 3.62Å; R26-E210 IonicContact NE-OE1 2.87Å; R26-E210 PolarHBondContact NE-OE1 3.15Å; R26-E210 IonicContact NH2-OE1 3.46Å; R26-E210 PolarHBondContact NH2-OE1 3.31Å; R26-E210 IonicContact NH2-OE2 3.58Å; L30-E210 HydrophobicContact CD1-CB 3.76Å; L30-E210 HydrophobicContact CD1-CG 3.88Å; L30-E210 VanDerWaalsContact CD2-OE2 3.23Å; L30-E210 WeakPolarHBondContact CD2-OE2 3.33Å; T182-E210 PolarHBondContact O-N 2.92Å; T182-E210 VanDerWaalsContact O-N 3.14Å; E210-V212 WeakPolarHBondContact CG-O 3.28Å
211W87.3Confident92.6Very high223 Ų22364 Ų6485%0.84531%0.313SS*.  trans-81.7-25-177.5-61.8103.9000112.7H209H209-W211 HydrophobicContact CB-CZ2 4.22Å
212V87.1Confident92.7Very high101 Ų10161.5 Ų61.561%0.61230%0.303SS*.SBendtrans-92.4109.2176.7-178.10000108.8E210 N214E210-V212 WeakPolarHBondContact CG-O 3.28Å; V212-N214 PolarHBondContact O-N 3.06Å
213T82.4Confident92.7Very high111 Ų11161 Ų6168%0.68130%0.301SS*.  trans-59.2103.6-177.4-47.50000111.5
214N80.3Confident92.8Very high38 Ų3853.5 Ų53.520%0.20327%0.272CS..  trans-124.588.5176.4-174.8-1.5000109.5M23 V212 I216M23-N214 HydrophobicContact SD-CB 3.87Å; M23-N214 VanDerWaalsContact SD-O 3.33Å; V212-N214 PolarHBondContact O-N 3.06Å; N214-I216 PolarHBondContact O-N 3.31Å; N214-I216 WeakPolarHBondContact OD1-CD1 3.48Å; N214-I216 WeakPolarHBondContact OD1-CG1 3.38Å
215D81.7Confident92.9Very high96 Ų9653.6 Ų53.651%0.51327%0.273SS..  trans-101.139.2-175.3-161.729.6000113.3R183 S217R183-D215 IonicContact CZ-OD1 3.91Å; R183-D215 IonicContact NH1-OD1 3.89Å; R183-D215 PolarHBondContact NH1-OD1 3.35Å; D215-S217 PolarHBondContact O-N 2.91Å
216I89.5Confident92.8Very high29 Ų2957.2 Ų57.215%0.14929%0.285CS..  trans-74.296.7177.9-57.8167.1000109.2T21 M23 N214 V221 L234T21-I216 HydrophobicContact CG2-CG2 4.11Å; T21-I216 PolarHBondContact OG1-O 3.08Å; M23-I216 HydrophobicContact CB-CB 4.19Å; N214-I216 PolarHBondContact O-N 3.31Å; N214-I216 WeakPolarHBondContact OD1-CD1 3.48Å; N214-I216 WeakPolarHBondContact OD1-CG1 3.38Å; I216-V221 HydrophobicContact CG2-CG2 4Å; I216-L234 HydrophobicContact CD1-CB 4.4Å; I216-L234 HydrophobicContact CD1-CD2 3.93Å; I216-L234 HydrophobicContact CG1-CD2 4.09Å; I216-L234 HydrophobicContact CG2-CB 4.01Å
217S92.4Very high92.8Very high30 Ų3064.2 Ų64.221%0.2131%0.311CS..  trans-89.3143.4172.378.10000112.1D215 T219 H220 V221D215-S217 PolarHBondContact O-N 2.91Å; S217-T219 PolarHBondContact O-N 3.02Å; S217-H220 WeakPolarHBondContact O-CB 3.45Å; S217-H220 PolarHBondContact O-N 2.87Å; S217-H220 WeakPolarHBondContact OG-CB 3.42Å; S217-H220 PolarHBondContact OG-CD2 2.97Å; S217-H220 PolarHBondContact OG-N 3.48Å; S217-H220 VanDerWaalsContact OG-N 3.11Å; S217-H220 PolarHBondContact OG-ND1 3.11Å; S217-V221 WeakPolarHBondContact O-CG2 3.38Å; S217-V221 PolarHBondContact O-N 3.44Å; S217-V221 VanDerWaalsContact O-N 3.1Å
218A96.2Very high92.8Very high17 Ų1766.9 Ų66.914%0.1434%0.342CS..Hα-helixtrans-58.3-34.6174.500000111.8N18 P19 T21 H220 V221 R222N18-A218 WeakPolarHBondContact O-CB 3.47Å; P19-A218 WeakPolarHBondContact O-CB 3.48Å; T21-A218 HydrophobicContact CG2-CB 4.42Å; A218-H220 PolarHBondContact O-N 2.96Å; A218-V221 WeakPolarHBondContact O-CB 3.41Å; A218-V221 PolarHBondContact O-N 3.29Å; A218-R222 WeakPolarHBondContact O-CG 3.5Å; A218-R222 PolarHBondContact O-N 3.09Å
219T96.1Very high92.9Very high72 Ų7275.2 Ų75.244%0.44237%0.372SS..Hα-helixtrans-61.8-40.8174.4-58.10000112.3S217 R223S217-T219 PolarHBondContact O-N 3.02Å; T219-R223 WeakPolarHBondContact O-CB 3.39Å; T219-R223 PolarHBondContact O-N 3.11Å; T219-R223 VanDerWaalsContact O-N 3.09Å
220H96.3Very high93.1Very high82 Ų8275.8 Ų75.838%0.3839%0.386SS..Hα-helixtrans-65-41.1174.5-72.7175.9000111.9S217 A218 R223 A224S217-H220 WeakPolarHBondContact O-CB 3.45Å; S217-H220 PolarHBondContact O-N 2.87Å; S217-H220 WeakPolarHBondContact OG-CB 3.42Å; S217-H220 PolarHBondContact OG-CD2 2.97Å; S217-H220 PolarHBondContact OG-N 3.48Å; S217-H220 VanDerWaalsContact OG-N 3.11Å; S217-H220 PolarHBondContact OG-ND1 3.11Å; A218-H220 PolarHBondContact O-N 2.96Å; H220-R223 VanDerWaalsContact CD2-CZ 3.47Å; H220-R223 PolarHBondContact CD2-NH2 3.08Å; H220-R223 PolarHBondContact NE2-NH2 3.17Å; H220-R223 PolarHBondContact O-N 3.07Å; H220-A224 WeakPolarHBondContact O-CB 3.1Å; H220-A224 PolarHBondContact O-N 3.48Å
221V98.2Very high93.5Very high0 Ų074.8 Ų74.80%038%0.382CS..Hα-helixtrans-61.7-51.7176.8171.80000111.1P19 T21 I216 S217 A218 R223 A224 L225 V231 L234 L235P19-V221 HydrophobicContact CG-CB 4.41Å; P19-V221 HydrophobicContact CG-CG1 3.63Å; T21-V221 HydrophobicContact CG2-CG2 4.04Å; I216-V221 HydrophobicContact CG2-CG2 4Å; S217-V221 WeakPolarHBondContact O-CG2 3.38Å; S217-V221 PolarHBondContact O-N 3.44Å; S217-V221 VanDerWaalsContact O-N 3.1Å; A218-V221 WeakPolarHBondContact O-CB 3.41Å; A218-V221 PolarHBondContact O-N 3.29Å; V221-R223 VanDerWaalsContact C-N 3.26Å; V221-R223 PolarHBondContact O-N 3.08Å; V221-A224 WeakPolarHBondContact O-CB 3.49Å; V221-A224 PolarHBondContact O-N 3.22Å; V221-A224 VanDerWaalsContact O-N 3.11Å; V221-L225 HydrophobicContact CG1-CD1 3.9Å; V221-L225 WeakPolarHBondContact O-CG 3.22Å; V221-L225 PolarHBondContact O-N 2.79Å; V221-V231 HydrophobicContact CG1-CB 4.43Å; V221-V231 HydrophobicContact CG1-CG1 4.13Å; V221-L234 HydrophobicContact CG2-CB 4.42Å; V221-L234 HydrophobicContact CG2-CD1 4.44Å; V221-L235 HydrophobicContact CG1-CD1 3.88Å; V221-L235 HydrophobicContact CG1-CD2 3.93Å; V221-L235 HydrophobicContact CG1-CG 4.29Å; V221-L235 HydrophobicContact CG2-CD2 3.92Å
222R98.4Very high93.9Very high15 Ų1570.2 Ų70.26%0.05736%0.364CS..Hα-helixtrans-58-40.1177.4-63.5-163.4-52.4-79.7-1.9111.8N18 A218 L225 R226 Y249 E254N18-R222 WeakPolarHBondContact O-CD 3.32Å; N18-R222 PolarHBondContact O-NH1 3.47Å; A218-R222 WeakPolarHBondContact O-CG 3.5Å; A218-R222 PolarHBondContact O-N 3.09Å; R222-L225 PolarHBondContact O-N 3.41Å; R222-R226 VanDerWaalsContact C-NH1 3.34Å; R222-R226 WeakPolarHBondContact O-CG 3.37Å; R222-R226 PolarHBondContact O-N 3.22Å; R222-R226 PolarHBondContact O-NH1 3.04Å; R222-Y249 HydrophobicContact CB-CD1 4.2Å; R222-Y249 HydrophobicContact CG-CD1 3.46Å; R222-Y249 VanDerWaalsContact CG-CD1 3.46Å; R222-Y249 HydrophobicContact CG-CE1 3.57Å; R222-Y249 HydrophobicContact CG-CG 4.02Å; R222-E254 IonicContact CZ-OE1 3.85Å; R222-E254 IonicContact CZ-OE2 3.55Å; R222-E254 IonicContact NE-OE1 3.82Å; R222-E254 PolarHBondContact NE-OE1 2.91Å; R222-E254 IonicContact NE-OE2 3.57Å; R222-E254 PolarHBondContact NE-OE2 3.23Å; R222-E254 IonicContact NH2-OE1 2.67Å; R222-E254 PolarHBondContact NH2-OE1 3.18Å; R222-E254 IonicContact NH2-OE2 2.86Å
223R98.2Very high94.3Very high93 Ų9373.3 Ų73.335%0.35137%0.366SS..Hα-helixtrans-65.6-39.7176.5-176.6173.366.8-151.31.9112.7T219 H220 V221 R227T219-R223 WeakPolarHBondContact O-CB 3.39Å; T219-R223 PolarHBondContact O-N 3.11Å; T219-R223 VanDerWaalsContact O-N 3.09Å; H220-R223 VanDerWaalsContact CD2-CZ 3.47Å; H220-R223 PolarHBondContact CD2-NH2 3.08Å; H220-R223 PolarHBondContact NE2-NH2 3.17Å; H220-R223 PolarHBondContact O-N 3.07Å; V221-R223 VanDerWaalsContact C-N 3.26Å; V221-R223 PolarHBondContact O-N 3.08Å; R223-R227 WeakPolarHBondContact O-CD 3.49Å; R223-R227 VanDerWaalsContact O-CG 3.3Å; R223-R227 WeakPolarHBondContact O-CG 3.4Å; R223-R227 PolarHBondContact O-N 3Å
224A97.8Very high95.1Very high20 Ų2070.9 Ų70.917%0.16535%0.348CS..Hα-helixtrans-64.6-46176.200000111.1H220 V221 R227 G228 R229 V231H220-A224 WeakPolarHBondContact O-CB 3.1Å; H220-A224 PolarHBondContact O-N 3.48Å; V221-A224 WeakPolarHBondContact O-CB 3.49Å; V221-A224 PolarHBondContact O-N 3.22Å; V221-A224 VanDerWaalsContact O-N 3.11Å; A224-R227 CarbonylContact O-C 3.53Å; A224-R227 PolarHBondContact O-N 2.88Å; A224-G228 PolarHBondContact O-N 3.48Å; A224-R229 HydrophobicContact CB-CB 4.15Å; A224-R229 WeakPolarHBondContact O-CB 3.36Å; A224-R229 PolarHBondContact O-N 3.2Å; A224-V231 HydrophobicContact CB-CG1 3.69Å
225L97.5Very high95.9Very high34 Ų3469.2 Ų69.218%0.17834%0.34CS..Hα-helixtrans-58.6-48.7177-71.8164.3000112.3V221 R222 R227 G228 V231 V243 Y249V221-L225 HydrophobicContact CG1-CD1 3.9Å; V221-L225 WeakPolarHBondContact O-CG 3.22Å; V221-L225 PolarHBondContact O-N 2.79Å; R222-L225 PolarHBondContact O-N 3.41Å; L225-R227 PolarHBondContact O-N 2.91Å; L225-G228 PolarHBondContact O-N 3.37Å; L225-V231 HydrophobicContact CD2-CG1 4.11Å; L225-V231 HydrophobicContact CD2-CG2 3.68Å; L225-V231 HydrophobicContact CG-CG1 3.85Å; L225-V231 HydrophobicContact CG-CG2 4.18Å; L225-V243 HydrophobicContact CD1-CG1 3.67Å; L225-V243 HydrophobicContact CD2-CG1 3.9Å; L225-V243 HydrophobicContact CG-CG1 4.43Å; L225-Y249 HydrophobicContact CD1-CD2 3.48Å; L225-Y249 VanDerWaalsContact CD1-CD2 3.48Å; L225-Y249 HydrophobicContact CD1-CE2 4.32Å; L225-Y249 HydrophobicContact CD1-CG 4Å
226R97.3Very high96.6Very high87 Ų8765.8 Ų65.833%0.32832%0.322SS..Hα-helixtrans-57.9-24.3175.3-74.5-165.3-58.3-83.214.8114.2R222 S250 E254R222-R226 VanDerWaalsContact C-NH1 3.34Å; R222-R226 WeakPolarHBondContact O-CG 3.37Å; R222-R226 PolarHBondContact O-N 3.22Å; R222-R226 PolarHBondContact O-NH1 3.04Å; R226-S250 VanDerWaalsContact CD-C 3.42Å; R226-S250 WeakPolarHBondContact CD-O 3.34Å; R226-E254 IonicContact CZ-OE2 3.51Å; R226-E254 IonicContact NH1-OE2 4Å; R226-E254 PolarHBondContact NH1-OE2 3.17Å; R226-E254 IonicContact NH2-OE2 3.69Å
227R97.3Very high97Very high171 Ų17167.7 Ų67.765%0.64533%0.331SS*.THydrogen-bonded Turntrans-96.88.5-179.9-68.5173.1175.5177.7-2.9112.7R223 A224 L225 R229R223-R227 WeakPolarHBondContact O-CD 3.49Å; R223-R227 VanDerWaalsContact O-CG 3.3Å; R223-R227 WeakPolarHBondContact O-CG 3.4Å; R223-R227 PolarHBondContact O-N 3Å; A224-R227 CarbonylContact O-C 3.53Å; A224-R227 PolarHBondContact O-N 2.88Å; L225-R227 PolarHBondContact O-N 2.91Å; R227-R229 HydrophobicContact CB-CG 3.99Å; R227-R229 PolarHBondContact O-N 3.43Å
228G96.2Very high97.3Very high71 Ų7168 Ų6873%0.73233%0.333SS*.THydrogen-bonded Turntrans61.826.3-17600000113.3A224 L225A224-G228 PolarHBondContact O-N 3.48Å; L225-G228 PolarHBondContact O-N 3.37Å
229R97.9Very high97.4Very high180 Ų18067.2 Ų67.268%0.67933%0.326SS*.  trans-92147.2177.7-58.8-58.5-174.9170.30.4110.1A224 R227A224-R229 HydrophobicContact CB-CB 4.15Å; A224-R229 WeakPolarHBondContact O-CB 3.36Å; A224-R229 PolarHBondContact O-N 3.2Å; R227-R229 HydrophobicContact CB-CG 3.99Å; R227-R229 PolarHBondContact O-N 3.43Å
230S97.3Very high97.6Very high98 Ų9864 Ų6469%0.68531%0.307SS*.  trans-62.1137.4175.8-177.20000111R232S230-R232 WeakPolarHBondContact OG-CB 3.37Å; S230-R232 PolarHBondContact OG-N 2.8Å
231V97.8Very high97.6Very high3 Ų367.6 Ų67.62%0.01832%0.317CS..  trans-11612.7169-62.40000111.9V221 A224 L225 L234 L235 V240V221-V231 HydrophobicContact CG1-CB 4.43Å; V221-V231 HydrophobicContact CG1-CG1 4.13Å; A224-V231 HydrophobicContact CB-CG1 3.69Å; L225-V231 HydrophobicContact CD2-CG1 4.11Å; L225-V231 HydrophobicContact CD2-CG2 3.68Å; L225-V231 HydrophobicContact CG-CG1 3.85Å; L225-V231 HydrophobicContact CG-CG2 4.18Å; V231-L234 HydrophobicContact CB-CD1 4.29Å; V231-L234 HydrophobicContact CG1-CD1 4.41Å; V231-L234 WeakPolarHBondContact O-CB 3.47Å; V231-L234 PolarHBondContact O-N 2.67Å; V231-L235 HydrophobicContact CG2-CD1 4.05Å; V231-V240 HydrophobicContact CG2-CG1 4.48Å; V231-V240 HydrophobicContact CG2-CG2 4.35Å
232R96.6Very high97.7Very high126 Ų12669.2 Ų69.248%0.47532%0.323SS..BIsolated β-bridgetrans-57.3140.1174.7-166.7174.3178.5162.1-2.6109.5S230 L234 E237S230-R232 WeakPolarHBondContact OG-CB 3.37Å; S230-R232 PolarHBondContact OG-N 2.8Å; R232-L234 PolarHBondContact O-N 3.29Å; R232-E237 IonicContact NE-OE2 2.68Å
233Y96.1Very high97.7Very high167 Ų16768.7 Ų68.766%0.65532%0.321SS*.THydrogen-bonded Turntrans69-3.7-175.2-43-68.4000115.6N22N22-Y233 PolarHBondContact ND2-O 2.76Å
234L97.3Very high97.6Very high59 Ų5970.2 Ų70.231%0.30933%0.333SS..THydrogen-bonded Turntrans-88.3-27.1168-52.1-175.4000112.1N22 I216 V221 V231 R232N22-L234 WeakPolarHBondContact CB-O 3.23Å; N22-L234 PolarHBondContact N-O 3.44Å; I216-L234 HydrophobicContact CD1-CB 4.4Å; I216-L234 HydrophobicContact CD1-CD2 3.93Å; I216-L234 HydrophobicContact CG1-CD2 4.09Å; I216-L234 HydrophobicContact CG2-CB 4.01Å; V221-L234 HydrophobicContact CG2-CB 4.42Å; V221-L234 HydrophobicContact CG2-CD1 4.44Å; V231-L234 HydrophobicContact CB-CD1 4.29Å; V231-L234 HydrophobicContact CG1-CD1 4.41Å; V231-L234 WeakPolarHBondContact O-CB 3.47Å; V231-L234 PolarHBondContact O-N 2.67Å; R232-L234 PolarHBondContact O-N 3.29Å
235L97.3Very high97.6Very high4 Ų476.6 Ų76.62%0.02136%0.359CS..BIsolated β-bridgetrans-127.7161.6178.9-39.1176.6000108.9P19 I20 T21 N22 V221 V231 V239 V240P19-L235 HydrophobicContact CG-CD1 4.24Å; P19-L235 HydrophobicContact CG-CD2 4.33Å; I20-L235 VanDerWaalsContact O-CD2 3.32Å; I20-L235 WeakPolarHBondContact O-CD2 3.4Å; T21-L235 HydrophobicContact CG2-CD2 3.59Å; N22-L235 VanDerWaalsContact OD1-C 3.25Å; V221-L235 HydrophobicContact CG1-CD1 3.88Å; V221-L235 HydrophobicContact CG1-CD2 3.93Å; V221-L235 HydrophobicContact CG1-CG 4.29Å; V221-L235 HydrophobicContact CG2-CD2 3.92Å; V231-L235 HydrophobicContact CG2-CD1 4.05Å; L235-V239 HydrophobicContact CB-CB 4.34Å; L235-V239 HydrophobicContact CB-CG1 4.38Å; L235-V239 HydrophobicContact CD1-CG1 4.13Å; L235-V240 HydrophobicContact CB-CG2 3.97Å; L235-V240 HydrophobicContact CD1-CG2 4.31Å; L235-V240 HydrophobicContact CG-CG2 4.47Å
236P97.9Very high97.6Very high23 Ų2379 Ų7915%0.14937%0.369CS..  trans-58.9145.4166.1-23.436.2000111.2N22 L25 A73 S238 V239 V240N22-P236 WeakPolarHBondContact OD1-CD 3.4Å; L25-P236 HydrophobicContact CD1-CG 3.77Å; A73-P236 HydrophobicContact CB-CG 3.87Å; P236-S238 VanDerWaalsContact C-N 3.26Å; P236-S238 PolarHBondContact O-N 3.3Å; P236-V239 HydrophobicContact CB-CG2 4.15Å; P236-V239 HydrophobicContact CG-CG2 4.25Å; P236-V239 WeakPolarHBondContact O-CB 3.5Å; P236-V239 PolarHBondContact O-N 2.86Å; P236-V240 PolarHBondContact O-N 3.27Å
237E97.9Very high97.6Very high70 Ų7079.5 Ų79.533%0.32739%0.386SS..Hα-helixtrans-60.2-36.3-175.3-17566.1-158.600112.4R232 V239 V240 R241R232-E237 IonicContact NE-OE2 2.68Å; E237-V239 VanDerWaalsContact C-N 3.32Å; E237-V239 PolarHBondContact O-N 2.86Å; E237-V240 PolarHBondContact O-N 3.36Å; E237-R241 WeakPolarHBondContact O-CG 3.46Å; E237-R241 PolarHBondContact O-N 3.37Å; E237-R241 IonicContact OE1-NE 2.69Å
238S98.4Very high97.6Very high36 Ų3672.1 Ų72.125%0.25236%0.359SS..Hα-helixtrans-57.4-43.7174.1520000111.9L72 P236 R241 Y242L72-S238 PolarHBondContact O-OG 2.84Å; P236-S238 VanDerWaalsContact C-N 3.26Å; P236-S238 PolarHBondContact O-N 3.3Å; S238-R241 PolarHBondContact O-N 2.73Å; S238-Y242 PolarHBondContact O-N 3.36Å; S238-Y242 VanDerWaalsContact O-N 3.07Å
239V98.6Very high97.7Very high0 Ų069.5 Ų69.50%033%0.327CS..Hα-helixtrans-67.9-40.5176.4-177.80000111.4I20 M69 L72 A73 L235 P236 E237 R241 Y242 V243I20-V239 HydrophobicContact CG2-CG1 4.41Å; I20-V239 HydrophobicContact CG2-CG2 4.21Å; M69-V239 HydrophobicContact CB-CG1 4.02Å; M69-V239 HydrophobicContact CB-CG2 4.49Å; M69-V239 HydrophobicContact CG-CG1 3.93Å; M69-V239 VanDerWaalsContact O-CG2 3.32Å; M69-V239 WeakPolarHBondContact O-CG2 3.11Å; M69-V239 HydrophobicContact SD-CG1 3.9Å; L72-V239 HydrophobicContact CB-CG2 4.27Å; A73-V239 HydrophobicContact CB-CG2 3.86Å; L235-V239 HydrophobicContact CB-CB 4.34Å; L235-V239 HydrophobicContact CB-CG1 4.38Å; L235-V239 HydrophobicContact CD1-CG1 4.13Å; P236-V239 HydrophobicContact CB-CG2 4.15Å; P236-V239 HydrophobicContact CG-CG2 4.25Å; P236-V239 WeakPolarHBondContact O-CB 3.5Å; P236-V239 PolarHBondContact O-N 2.86Å; E237-V239 VanDerWaalsContact C-N 3.32Å; E237-V239 PolarHBondContact O-N 2.86Å; V239-R241 VanDerWaalsContact C-N 3.33Å; V239-R241 PolarHBondContact O-N 2.7Å; V239-Y242 PolarHBondContact O-N 2.92Å; V239-V243 HydrophobicContact CG1-CG2 4.28Å; V239-V243 WeakPolarHBondContact O-CB 3.25Å; V239-V243 VanDerWaalsContact O-CG2 3.28Å; V239-V243 WeakPolarHBondContact O-CG2 3.49Å; V239-V243 PolarHBondContact O-N 3.1Å
240V98.4Very high97.6Very high5 Ų563 Ų633%0.0331%0.31CS..Hα-helixtrans-58.8-46.9176.8177.50000110.7V231 L235 P236 E237 V243 Q244V231-V240 HydrophobicContact CG2-CG1 4.48Å; V231-V240 HydrophobicContact CG2-CG2 4.35Å; L235-V240 HydrophobicContact CB-CG2 3.97Å; L235-V240 HydrophobicContact CD1-CG2 4.31Å; L235-V240 HydrophobicContact CG-CG2 4.47Å; P236-V240 PolarHBondContact O-N 3.27Å; E237-V240 PolarHBondContact O-N 3.36Å; V240-V243 PolarHBondContact O-N 3.42Å; V240-Q244 VanDerWaalsContact O-CG 3.31Å; V240-Q244 WeakPolarHBondContact O-CG 3.4Å; V240-Q244 PolarHBondContact O-N 3.23Å; V240-Q244 VanDerWaalsContact O-N 3.1Å
241R98.3Very high97.6Very high158 Ų15861.9 Ų61.960%0.59631%0.306SS*.Hα-helixtrans-60.9-48.1177.6-70.1179-174-175.81111.6E237 S238 V239 V243 Q244 E245E237-R241 WeakPolarHBondContact O-CG 3.46Å; E237-R241 PolarHBondContact O-N 3.37Å; E237-R241 IonicContact OE1-NE 2.69Å; S238-R241 PolarHBondContact O-N 2.73Å; V239-R241 VanDerWaalsContact C-N 3.33Å; V239-R241 PolarHBondContact O-N 2.7Å; R241-V243 VanDerWaalsContact C-N 3.35Å; R241-V243 PolarHBondContact O-N 3.09Å; R241-Q244 PolarHBondContact O-N 2.93Å; R241-Q244 VanDerWaalsContact O-N 3.15Å; R241-E245 WeakPolarHBondContact O-CB 3.23Å; R241-E245 PolarHBondContact O-N 3.47Å
242Y98.7Very high97.6Very high33 Ų3369.7 Ų69.713%0.12934%0.343CS..Hα-helixtrans-57.3-46.8178.3-173.2-93.9000112.2H65 E68 M69 L72 S238 V239 Q244 E245 H246 L248H65-Y242 HydrophobicContact CB-CE1 4.26Å; H65-Y242 AromaticContact ND1-CE1 3.79Å; H65-Y242 AromaticContact ND1-CZ 3.7Å; H65-Y242 PolarHBondContact ND1-OH 3.44Å; E68-Y242 HydrophobicContact CB-CE2 4.33Å; E68-Y242 HydrophobicContact CG-CD2 4.33Å; E68-Y242 HydrophobicContact CG-CE2 3.64Å; M69-Y242 HydrophobicContact CG-CD1 3.43Å; M69-Y242 VanDerWaalsContact CG-CD1 3.43Å; M69-Y242 HydrophobicContact CG-CE1 3.83Å; M69-Y242 HydrophobicContact CG-CG 4.32Å; M69-Y242 HydrophobicContact SD-CD1 4.19Å; L72-Y242 HydrophobicContact CD1-CD2 3.74Å; L72-Y242 HydrophobicContact CD1-CG 3.83Å; S238-Y242 PolarHBondContact O-N 3.36Å; S238-Y242 VanDerWaalsContact O-N 3.07Å; V239-Y242 PolarHBondContact O-N 2.92Å; Y242-Q244 VanDerWaalsContact C-N 3.29Å; Y242-Q244 PolarHBondContact O-N 3.22Å; Y242-E245 PolarHBondContact O-N 3.39Å; Y242-H246 AromaticContact CD2-CD2 3.67Å; Y242-H246 AromaticContact CD2-NE2 3.8Å; Y242-H246 AromaticContact CE1-CD2 3.97Å; Y242-H246 AromaticContact CE2-CD2 3.49Å; Y242-H246 VanDerWaalsContact CE2-CD2 3.49Å; Y242-H246 WeakPolarHBondContact CE2-CD2 3.47Å; Y242-H246 AromaticContact CE2-NE2 3.35Å; Y242-H246 VanDerWaalsContact CE2-NE2 3.35Å; Y242-H246 WeakPolarHBondContact CE2-NE2 3.3Å; Y242-H246 AromaticContact CG-CD2 3.98Å; Y242-H246 AromaticContact CZ-CD2 3.65Å; Y242-H246 AromaticContact CZ-NE2 3.78Å; Y242-H246 PolarHBondContact O-CD2 2.67Å; Y242-H246 VanDerWaalsContact O-CD2 3.28Å; Y242-H246 PolarHBondContact O-N 3.45Å; Y242-H246 VanDerWaalsContact O-N 3.1Å; Y242-L248 HydrophobicContact CD1-CD1 3.81Å; Y242-L248 HydrophobicContact CE1-CD1 3.71Å
243V98.3Very high97.6Very high4 Ų464.5 Ų64.52%0.02433%0.326CS..Hα-helixtrans-60.6-39.3178167.10000112.1M69 L225 V239 V240 R241 S247 L248 Y249M69-V243 HydrophobicContact SD-CG2 3.47Å; M69-V243 WeakPolarHBondContact SD-CG2 3.49Å; L225-V243 HydrophobicContact CD1-CG1 3.67Å; L225-V243 HydrophobicContact CD2-CG1 3.9Å; L225-V243 HydrophobicContact CG-CG1 4.43Å; V239-V243 HydrophobicContact CG1-CG2 4.28Å; V239-V243 WeakPolarHBondContact O-CB 3.25Å; V239-V243 VanDerWaalsContact O-CG2 3.28Å; V239-V243 WeakPolarHBondContact O-CG2 3.49Å; V239-V243 PolarHBondContact O-N 3.1Å; V240-V243 PolarHBondContact O-N 3.42Å; R241-V243 VanDerWaalsContact C-N 3.35Å; R241-V243 PolarHBondContact O-N 3.09Å; V243-S247 WeakPolarHBondContact O-CA 3.21Å; V243-S247 PolarHBondContact O-N 3.09Å; V243-L248 HydrophobicContact CG2-CD1 4.23Å; V243-L248 PolarHBondContact O-N 3.43Å; V243-Y249 HydrophobicContact CG1-CD2 3.77Å; V243-Y249 HydrophobicContact CG1-CE2 4.31Å; V243-Y249 HydrophobicContact CG2-CD2 4.31Å; V243-Y249 HydrophobicContact CG2-CE2 4.01Å
244Q96.2Very high97.7Very high125 Ų12558 Ų5858%0.58430%0.301SS*.Hα-helixtrans-71.7-46.6179.7-72.9173.6-13.900111.9V240 R241 Y242 H246 S247V240-Q244 VanDerWaalsContact O-CG 3.31Å; V240-Q244 WeakPolarHBondContact O-CG 3.4Å; V240-Q244 PolarHBondContact O-N 3.23Å; V240-Q244 VanDerWaalsContact O-N 3.1Å; R241-Q244 PolarHBondContact O-N 2.93Å; R241-Q244 VanDerWaalsContact O-N 3.15Å; Y242-Q244 VanDerWaalsContact C-N 3.29Å; Y242-Q244 PolarHBondContact O-N 3.22Å; Q244-H246 VanDerWaalsContact C-N 3.31Å; Q244-H246 PolarHBondContact O-N 3.28Å; Q244-S247 PolarHBondContact O-N 2.86Å
245E98Very high97.7Very high154 Ų15460.6 Ų60.672%0.7231%0.312SS*.Hα-helixtrans-59-42.1179.8-176.6173.4178.800111.9R241 Y242R241-E245 WeakPolarHBondContact O-CB 3.23Å; R241-E245 PolarHBondContact O-N 3.47Å; Y242-E245 PolarHBondContact O-N 3.39Å
246H98.2Very high97.7Very high86 Ų8663.4 Ų63.440%0.39832%0.324SS..THydrogen-bonded Turntrans-93.6-2.7-178.7-66.9-78.7000114.5Y242 Q244 L248Y242-H246 AromaticContact CD2-CD2 3.67Å; Y242-H246 AromaticContact CD2-NE2 3.8Å; Y242-H246 AromaticContact CE1-CD2 3.97Å; Y242-H246 AromaticContact CE2-CD2 3.49Å; Y242-H246 VanDerWaalsContact CE2-CD2 3.49Å; Y242-H246 WeakPolarHBondContact CE2-CD2 3.47Å; Y242-H246 AromaticContact CE2-NE2 3.35Å; Y242-H246 VanDerWaalsContact CE2-NE2 3.35Å; Y242-H246 WeakPolarHBondContact CE2-NE2 3.3Å; Y242-H246 AromaticContact CG-CD2 3.98Å; Y242-H246 AromaticContact CZ-CD2 3.65Å; Y242-H246 AromaticContact CZ-NE2 3.78Å; Y242-H246 PolarHBondContact O-CD2 2.67Å; Y242-H246 VanDerWaalsContact O-CD2 3.28Å; Y242-H246 PolarHBondContact O-N 3.45Å; Y242-H246 VanDerWaalsContact O-N 3.1Å; Q244-H246 VanDerWaalsContact C-N 3.31Å; Q244-H246 PolarHBondContact O-N 3.28Å; H246-L248 VanDerWaalsContact C-N 3.25Å; H246-L248 HydrophobicContact CB-CD1 4.41Å; H246-L248 HydrophobicContact CB-CD2 3.47Å; H246-L248 VanDerWaalsContact CB-CD2 3.47Å; H246-L248 HydrophobicContact CB-CG 3.71Å; H246-L248 PolarHBondContact O-N 3.11Å
247S96.7Very high97.6Very high96 Ų9663.7 Ų63.767%0.67132%0.324SS*.THydrogen-bonded Turntrans5041.4-179.2-63.80000114.2V243 Q244 Y249V243-S247 WeakPolarHBondContact O-CA 3.21Å; V243-S247 PolarHBondContact O-N 3.09Å; Q244-S247 PolarHBondContact O-N 2.86Å; S247-Y249 VanDerWaalsContact C-N 3.34Å; S247-Y249 PolarHBondContact O-N 3.14Å
248L97.3Very high97.5Very high17 Ų1762 Ų629%0.08932%0.322CS..  trans-65.8-26.9-164-63178.3000115.9I61 H65 M69 Y242 V243 H246 S253I61-L248 HydrophobicContact CD1-CB 4.08Å; I61-L248 HydrophobicContact CD1-CD1 4.04Å; I61-L248 HydrophobicContact CD1-CG 4.45Å; H65-L248 HydrophobicContact CB-CD1 4.14Å; H65-L248 HydrophobicContact CB-CD2 4.3Å; M69-L248 HydrophobicContact CE-CD1 4.23Å; M69-L248 HydrophobicContact SD-CD1 3.98Å; Y242-L248 HydrophobicContact CD1-CD1 3.81Å; Y242-L248 HydrophobicContact CE1-CD1 3.71Å; V243-L248 HydrophobicContact CG2-CD1 4.23Å; V243-L248 PolarHBondContact O-N 3.43Å; H246-L248 VanDerWaalsContact C-N 3.25Å; H246-L248 HydrophobicContact CB-CD1 4.41Å; H246-L248 HydrophobicContact CB-CD2 3.47Å; H246-L248 VanDerWaalsContact CB-CD2 3.47Å; H246-L248 HydrophobicContact CB-CG 3.71Å; H246-L248 PolarHBondContact O-N 3.11Å; L248-S253 WeakPolarHBondContact O-CB 3.34Å; L248-S253 PolarHBondContact O-OG 3.37Å
249Y98Very high97.3Very high15 Ų1568 Ų686%0.05935%0.352CS..  trans-117.9102.1-169.1-67.3-64.6000112N18 P19 I61 M69 R222 L225 V243 S247 S253N18-Y249 WeakPolarHBondContact OD1-CE1 3.12Å; N18-Y249 PolarHBondContact OD1-OH 3.38Å; P19-Y249 VanDerWaalsContact CA-OH 3.27Å; P19-Y249 WeakPolarHBondContact CA-OH 3.26Å; P19-Y249 HydrophobicContact CB-CE2 3.86Å; P19-Y249 WeakPolarHBondContact CB-OH 3.44Å; P19-Y249 WeakPolarHBondContact CD-OH 3.37Å; P19-Y249 HydrophobicContact CG-CE2 3.82Å; I61-Y249 HydrophobicContact CD1-CE1 3.94Å; I61-Y249 HydrophobicContact CD1-CE2 4.38Å; I61-Y249 WeakPolarHBondContact CD1-OH 3.39Å; I61-Y249 HydrophobicContact CG1-CE1 4.47Å; I61-Y249 HydrophobicContact CG2-CD1 4.2Å; I61-Y249 HydrophobicContact CG2-CE1 3.79Å; M69-Y249 WeakPolarHBondContact CE-OH 3.21Å; R222-Y249 HydrophobicContact CB-CD1 4.2Å; R222-Y249 HydrophobicContact CG-CD1 3.46Å; R222-Y249 VanDerWaalsContact CG-CD1 3.46Å; R222-Y249 HydrophobicContact CG-CE1 3.57Å; R222-Y249 HydrophobicContact CG-CG 4.02Å; L225-Y249 HydrophobicContact CD1-CD2 3.48Å; L225-Y249 VanDerWaalsContact CD1-CD2 3.48Å; L225-Y249 HydrophobicContact CD1-CE2 4.32Å; L225-Y249 HydrophobicContact CD1-CG 4Å; V243-Y249 HydrophobicContact CG1-CD2 3.77Å; V243-Y249 HydrophobicContact CG1-CE2 4.31Å; V243-Y249 HydrophobicContact CG2-CD2 4.31Å; V243-Y249 HydrophobicContact CG2-CE2 4.01Å; S247-Y249 VanDerWaalsContact C-N 3.34Å; S247-Y249 PolarHBondContact O-N 3.14Å; Y249-S253 WeakPolarHBondContact CA-OG 3.31Å
250S97.2Very high97.2Very high44 Ų4471.1 Ų71.131%0.30837%0.37SS..  trans-130.1175.8-17673.90000111.5R226 E252 S253 E254R226-S250 VanDerWaalsContact CD-C 3.42Å; R226-S250 WeakPolarHBondContact CD-O 3.34Å; S250-E252 PolarHBondContact O-N 3.08Å; S250-E252 PolarHBondContact OG-N 3.45Å; S250-S253 PolarHBondContact N-OG 2.81Å; S250-S253 PolarHBondContact O-N 3.47Å; S250-S253 PolarHBondContact O-OG 3.15Å; S250-S253 VanDerWaalsContact O-OG 3.09Å; S250-S253 PolarHBondContact OG-N 2.67Å; S250-S253 VanDerWaalsContact OG-N 3.11Å; S250-E254 PolarHBondContact O-N 3.21Å
251A96.9Very high97Very high75 Ų7574.7 Ų74.762%0.6239%0.392SS*.Hα-helixtrans-60.5-37172.500000111.7Q255A251-Q255 WeakPolarHBondContact O-CG 3.42Å; A251-Q255 PolarHBondContact O-N 3.16Å
252E97.1Very high96.9Very high166 Ų16668.7 Ų68.778%0.77637%0.371SS*.Hα-helixtrans-65.8-48.2176.4-178.2179.5-172.600111.5S250 E254 Q255 K256S250-E252 PolarHBondContact O-N 3.08Å; S250-E252 PolarHBondContact OG-N 3.45Å; E252-E254 PolarHBondContact O-N 3.33Å; E252-Q255 PolarHBondContact O-N 2.93Å; E252-K256 PolarHBondContact O-N 3Å
253S97.3Very high96.8Very high18 Ų1867.6 Ų67.613%0.12637%0.369CS..Hα-helixtrans-61-33.8-179.2820000112G59 L248 Y249 S250 Q255 K256G59-S253 VanDerWaalsContact CA-O 3.31Å; G59-S253 WeakPolarHBondContact CA-O 3.33Å; L248-S253 WeakPolarHBondContact O-CB 3.34Å; L248-S253 PolarHBondContact O-OG 3.37Å; Y249-S253 WeakPolarHBondContact CA-OG 3.31Å; S250-S253 PolarHBondContact N-OG 2.81Å; S250-S253 PolarHBondContact O-N 3.47Å; S250-S253 PolarHBondContact O-OG 3.15Å; S250-S253 VanDerWaalsContact O-OG 3.09Å; S250-S253 PolarHBondContact OG-N 2.67Å; S250-S253 VanDerWaalsContact OG-N 3.11Å; S253-Q255 VanDerWaalsContact C-N 3.28Å; S253-Q255 PolarHBondContact O-N 3.27Å; S253-K256 WeakPolarHBondContact O-CB 3.46Å; S253-K256 PolarHBondContact O-N 3.31Å
254E97.8Very high96.6Very high30 Ų3067.5 Ų67.514%0.1437%0.369CS..Hα-helixtrans-71.5-21.4177.3-162.970.2-156.500113.1R222 R226 S250 E252R222-E254 IonicContact CZ-OE1 3.85Å; R222-E254 IonicContact CZ-OE2 3.55Å; R222-E254 IonicContact NE-OE1 3.82Å; R222-E254 PolarHBondContact NE-OE1 2.91Å; R222-E254 IonicContact NE-OE2 3.57Å; R222-E254 PolarHBondContact NE-OE2 3.23Å; R222-E254 IonicContact NH2-OE1 2.67Å; R222-E254 PolarHBondContact NH2-OE1 3.18Å; R222-E254 IonicContact NH2-OE2 2.86Å; R226-E254 IonicContact CZ-OE2 3.51Å; R226-E254 IonicContact NH1-OE2 4Å; R226-E254 PolarHBondContact NH1-OE2 3.17Å; R226-E254 IonicContact NH2-OE2 3.69Å; S250-E254 PolarHBondContact O-N 3.21Å; E252-E254 PolarHBondContact O-N 3.33Å
255Q97.8Very high96.5Very high113 Ų11364.4 Ų64.453%0.52835%0.353SS..Hα-helixtrans-90.8-5.9176.6-62.2-65.223.200113.7A251 E252 S253 N257 A258A251-Q255 WeakPolarHBondContact O-CG 3.42Å; A251-Q255 PolarHBondContact O-N 3.16Å; E252-Q255 PolarHBondContact O-N 2.93Å; S253-Q255 VanDerWaalsContact C-N 3.28Å; S253-Q255 PolarHBondContact O-N 3.27Å; Q255-N257 PolarHBondContact O-N 3.32Å; Q255-A258 VanDerWaalsContact O-CB 3.23Å; Q255-A258 WeakPolarHBondContact O-CB 3.25Å; Q255-A258 PolarHBondContact O-N 3.45Å
256K97.1Very high96.3Very high63 Ų6360.9 Ų60.927%0.27434%0.337SS..THydrogen-bonded Turntrans-53.5128.9170.2-171.3166.2172.1-172.60109.7K58 G59 L60 E62 E252 S253 A258K58-K256 CarbonylContact C-O 3.57Å; K58-K256 WeakPolarHBondContact CA-O 3.47Å; G59-K256 PolarHBondContact N-O 3.31Å; L60-K256 VanDerWaalsContact O-CD 3.24Å; L60-K256 WeakPolarHBondContact O-CD 3.34Å; L60-K256 WeakPolarHBondContact O-CE 3.24Å; L60-K256 PolarHBondContact O-NZ 3.41Å; E62-K256 VanDerWaalsContact CD-NZ 3.33Å; E62-K256 IonicContact OE1-NZ 3.57Å; E62-K256 PolarHBondContact OE1-NZ 3.49Å; E62-K256 IonicContact OE2-NZ 3.09Å; E252-K256 PolarHBondContact O-N 3Å; S253-K256 WeakPolarHBondContact O-CB 3.46Å; S253-K256 PolarHBondContact O-N 3.31Å; K256-A258 VanDerWaalsContact C-N 3.28Å; K256-A258 PolarHBondContact O-N 3.33Å
257N96.6Very high96Very high30 Ų3060.9 Ų60.916%0.1634%0.336CS..THydrogen-bonded Turntrans59.824-175.5-49.4-46.9000115.5K56 K57 Q255 D259 V260K56-N257 WeakPolarHBondContact O-CB 3.37Å; K57-N257 PolarHBondContact O-ND2 2.86Å; K57-N257 VanDerWaalsContact O-ND2 3.08Å; Q255-N257 PolarHBondContact O-N 3.32Å; N257-D259 VanDerWaalsContact C-N 3.27Å; N257-D259 PolarHBondContact O-N 3.46Å; N257-V260 HydrophobicContact CB-CB 4.08Å; N257-V260 HydrophobicContact CB-CG2 4.21Å; N257-V260 PolarHBondContact O-N 2.97Å
258A94.9Very high95.7Very high33 Ų3357.4 Ų57.427%0.27331%0.308SS..THydrogen-bonded Turntrans-57.7-36.7-17600000114.2K58 Q255 K256K58-A258 HydrophobicContact CD-CB 4.37Å; Q255-A258 VanDerWaalsContact O-CB 3.23Å; Q255-A258 WeakPolarHBondContact O-CB 3.25Å; Q255-A258 PolarHBondContact O-N 3.45Å; K256-A258 VanDerWaalsContact C-N 3.28Å; K256-A258 PolarHBondContact O-N 3.33Å
259D94.7Very high95Very high164 Ų16458.7 Ų58.788%0.87732%0.319SS*.THydrogen-bonded Turntrans-106.514.4-177.7-52.9-53.6000112.5N257N257-D259 VanDerWaalsContact C-N 3.27Å; N257-D259 PolarHBondContact O-N 3.46Å
260V95.9Very high93.3Very high64 Ų6463.5 Ų63.539%0.38835%0.345SS..PPolyproline II helixtrans-102.2127-178.5-172.10000109.2K56 N257K56-V260 HydrophobicContact CB-CB 4.41Å; K56-V260 HydrophobicContact CB-CG1 3.69Å; K56-V260 HydrophobicContact CD-CG1 4.43Å; K56-V260 HydrophobicContact CG-CG1 3.9Å; N257-V260 HydrophobicContact CB-CB 4.08Å; N257-V260 HydrophobicContact CB-CG2 4.21Å; N257-V260 PolarHBondContact O-N 2.97Å
261V94.6Very high91.4Very high81 Ų8164.4 Ų64.449%0.49136%0.355SS..PPolyproline II helixtrans-66.2139.9173.4-179.60000109.3F265 Q266V261-F265 HydrophobicContact CG1-CB 3.61Å; V261-Q266 HydrophobicContact CB-CG 3.7Å; V261-Q266 HydrophobicContact CG1-CG 3.77Å; V261-Q266 PolarHBondContact O-NE2 3Å
262L95.5Very high89.3Confident31 Ų3164.4 Ų64.416%0.16235%0.351CS..PPolyproline II helixtrans-60.5142-179.9-158.472.1000110.8Y55 K57 L163 P264 F265 Q266Y55-L262 HydrophobicContact CD1-CD1 4.26Å; Y55-L262 HydrophobicContact CD2-CD1 4.2Å; Y55-L262 HydrophobicContact CD2-CG 4.25Å; Y55-L262 HydrophobicContact CE1-CD1 4.01Å; Y55-L262 HydrophobicContact CE2-CD1 3.94Å; Y55-L262 HydrophobicContact CE2-CD2 3.82Å; Y55-L262 HydrophobicContact CE2-CG 3.8Å; Y55-L262 HydrophobicContact CG-CD1 4.35Å; Y55-L262 WeakPolarHBondContact O-CD1 3.42Å; K57-L262 HydrophobicContact CB-CD1 3.7Å; K57-L262 HydrophobicContact CG-CD1 4.3Å; L163-L262 HydrophobicContact CD1-CD2 4.06Å; L262-P264 HydrophobicContact CD2-CG 4.24Å; L262-P264 HydrophobicContact CG-CG 4.4Å; L262-F265 HydrophobicContact CB-CD2 3.7Å; L262-F265 HydrophobicContact CB-CE2 4.29Å; L262-F265 HydrophobicContact CD2-CD2 4.36Å; L262-F265 HydrophobicContact CD2-CE2 4.24Å; L262-F265 PolarHBondContact O-N 3.33Å; L262-Q266 PolarHBondContact O-N 2.97Å; L262-Q266 VanDerWaalsContact O-N 3.07Å
263A96.2Very high87Confident10 Ų1062.2 Ų62.28%0.08335%0.349CS..Hα-helixtrans-52.5-40.7-174.600000115.9A54 Y55 W92 F265 Q266 K267A54-A263 WeakPolarHBondContact O-CB 3.27Å; Y55-A263 PolarHBondContact O-N 2.92Å; W92-A263 HydrophobicContact CB-CB 3.53Å; W92-A263 HydrophobicContact CD2-CB 3.91Å; W92-A263 HydrophobicContact CE3-CB 4.02Å; W92-A263 HydrophobicContact CG-CB 3.68Å; A263-F265 PolarHBondContact O-N 3.24Å; A263-Q266 PolarHBondContact O-N 3.22Å; A263-K267 WeakPolarHBondContact O-CB 3.39Å; A263-K267 PolarHBondContact O-N 3.25Å
264P94.9Very high84.6Confident3 Ų366.2 Ų66.22%0.01938%0.377CS..Hα-helixtrans-62.8-42.7176.3-14.926.6000112.5Y55 W92 L163 L262 K267 Y268Y55-P264 HydrophobicContact CD2-CG 4.5Å; Y55-P264 HydrophobicContact CE2-CG 3.93Å; W92-P264 HydrophobicContact CD2-CG 4.27Å; W92-P264 HydrophobicContact CE3-CG 4.31Å; W92-P264 HydrophobicContact CH2-CB 3.56Å; W92-P264 HydrophobicContact CH2-CG 3.59Å; W92-P264 HydrophobicContact CZ2-CB 4.06Å; W92-P264 HydrophobicContact CZ2-CG 3.55Å; W92-P264 HydrophobicContact CZ3-CB 3.85Å; W92-P264 HydrophobicContact CZ3-CG 3.99Å; L163-P264 HydrophobicContact CD1-CB 3.97Å; L163-P264 HydrophobicContact CD1-CG 3.98Å; L163-P264 WeakPolarHBondContact O-CB 3.12Å; L262-P264 HydrophobicContact CD2-CG 4.24Å; L262-P264 HydrophobicContact CG-CG 4.4Å; P264-K267 PolarHBondContact O-N 3Å; P264-Y268 HydrophobicContact CB-CD2 4.32Å; P264-Y268 HydrophobicContact CB-CE2 4.13Å; P264-Y268 WeakPolarHBondContact O-CB 3.43Å; P264-Y268 VanDerWaalsContact O-CD2 3.27Å; P264-Y268 WeakPolarHBondContact O-CD2 3.32Å; P264-Y268 VanDerWaalsContact O-CG 3.29Å; P264-Y268 PolarHBondContact O-N 3.07Å
265F94.4Very high81.6Confident59 Ų5971.2 Ų71.226%0.25944%0.437SS..Hα-helixtrans-64.4-43.4178.4-68.1-54.6000111.1I160 P161 N162 L163 V261 L262 A263 K267 Y268 S269I160-F265 HydrophobicContact CG2-CE1 4.01Å; I160-F265 HydrophobicContact CG2-CZ 3.88Å; P161-F265 WeakPolarHBondContact O-CE1 3.36Å; N162-F265 HydrophobicContact CB-CD1 4.14Å; N162-F265 VanDerWaalsContact O-CD1 3.25Å; N162-F265 WeakPolarHBondContact O-CD1 3.3Å; L163-F265 HydrophobicContact CB-CE1 3.88Å; L163-F265 HydrophobicContact CB-CZ 4.11Å; L163-F265 HydrophobicContact CD1-CE1 4.25Å; L163-F265 HydrophobicContact CD1-CE2 4.1Å; L163-F265 HydrophobicContact CD1-CZ 3.88Å; L163-F265 HydrophobicContact CG-CZ 4.43Å; V261-F265 HydrophobicContact CG1-CB 3.61Å; L262-F265 HydrophobicContact CB-CD2 3.7Å; L262-F265 HydrophobicContact CB-CE2 4.29Å; L262-F265 HydrophobicContact CD2-CD2 4.36Å; L262-F265 HydrophobicContact CD2-CE2 4.24Å; L262-F265 PolarHBondContact O-N 3.33Å; A263-F265 PolarHBondContact O-N 3.24Å; F265-K267 VanDerWaalsContact C-N 3.33Å; F265-K267 PolarHBondContact O-N 3.41Å; F265-Y268 PolarHBondContact O-N 3.39Å; F265-S269 WeakPolarHBondContact O-CB 3.23Å; F265-S269 PolarHBondContact O-N 3.02Å; F265-S269 PolarHBondContact O-OG 3.19Å
266Q92.5Very high80.8Confident81 Ų8169.2 Ų69.238%0.37943%0.432SS..Hα-helixtrans-56.5-49.9174.4-67.3179.4-22.200110.7V261 L262 A263 Y268V261-Q266 HydrophobicContact CB-CG 3.7Å; V261-Q266 HydrophobicContact CG1-CG 3.77Å; V261-Q266 PolarHBondContact O-NE2 3Å; L262-Q266 PolarHBondContact O-N 2.97Å; L262-Q266 VanDerWaalsContact O-N 3.07Å; A263-Q266 PolarHBondContact O-N 3.22Å; Q266-Y268 PolarHBondContact O-N 3.43Å
267K92.6Very high80Confident86 Ų8669.5 Ų69.537%0.37444%0.441SS..Hα-helixtrans-64.3-36.8-176.9-166.4175.2-165.3171.20113.7W92 E94 A263 P264 F265W92-K267 HydrophobicContact CE3-CD 4.28Å; W92-K267 HydrophobicContact CZ3-CD 3.93Å; E94-K267 VanDerWaalsContact CD-NZ 3.3Å; E94-K267 WeakPolarHBondContact OE1-CE 3.28Å; E94-K267 IonicContact OE1-NZ 2.67Å; E94-K267 PolarHBondContact OE1-NZ 2.87Å; E94-K267 IonicContact OE2-NZ 3.51Å; E94-K267 PolarHBondContact OE2-NZ 3.02Å; A263-K267 WeakPolarHBondContact O-CB 3.39Å; A263-K267 PolarHBondContact O-N 3.25Å; P264-K267 PolarHBondContact O-N 3Å; F265-K267 VanDerWaalsContact C-N 3.33Å; F265-K267 PolarHBondContact O-N 3.41Å
268Y90.7Very high79Confident22 Ų2271.7 Ų71.79%0.08646%0.456CS..Hα-helixtrans-98.4-25.1-171.7-57.1-27.5000113.9W92 E94 N162 K165 P264 F265 Q266 S272W92-Y268 HydrophobicContact CH2-CE2 4.29Å; E94-Y268 WeakPolarHBondContact CG-OH 3.48Å; N162-Y268 WeakPolarHBondContact O-CD2 3.46Å; K165-Y268 HydrophobicContact CD-CE1 4.13Å; K165-Y268 WeakPolarHBondContact CE-OH 3.16Å; K165-Y268 HydrophobicContact CG-CD1 4.43Å; K165-Y268 HydrophobicContact CG-CE1 3.88Å; K165-Y268 HydrophobicContact CG-CE2 4.08Å; P264-Y268 HydrophobicContact CB-CD2 4.32Å; P264-Y268 HydrophobicContact CB-CE2 4.13Å; P264-Y268 WeakPolarHBondContact O-CB 3.43Å; P264-Y268 VanDerWaalsContact O-CD2 3.27Å; P264-Y268 WeakPolarHBondContact O-CD2 3.32Å; P264-Y268 VanDerWaalsContact O-CG 3.29Å; P264-Y268 PolarHBondContact O-N 3.07Å; F265-Y268 PolarHBondContact O-N 3.39Å; Q266-Y268 PolarHBondContact O-N 3.43Å; Y268-S272 PolarHBondContact O-N 2.88Å
269S81.4Confident78.1Confident45 Ų4573.9 Ų73.932%0.31547%0.467SS..Hα-helixtrans-65.3-41.5170.4-670000111.5F265 A271 S272 T273F265-S269 WeakPolarHBondContact O-CB 3.23Å; F265-S269 PolarHBondContact O-N 3.02Å; F265-S269 PolarHBondContact O-OG 3.19Å; S269-A271 VanDerWaalsContact C-N 3.31Å; S269-A271 PolarHBondContact O-N 3.31Å; S269-S272 PolarHBondContact O-N 3.11Å; S269-S272 PolarHBondContact O-OG 3.36Å; S269-T273 PolarHBondContact O-OG1 3.03Å; S269-T273 VanDerWaalsContact O-OG1 3.11Å
270D62.2Low77.1Confident115 Ų11568.3 Ų68.362%0.61544%0.441SS*.Hα-helixtrans-63.9-36.6179.1-67.5-14.4000112.4S272 T273 S274D270-S272 VanDerWaalsContact C-N 3.34Å; D270-S272 PolarHBondContact O-N 2.73Å; D270-T273 PolarHBondContact O-N 3.45Å; D270-S274 PolarHBondContact O-OG 3.47Å
271A58.1Low75.8Confident63 Ų6368.6 Ų68.652%0.52145%0.445SS..Hα-helixtrans-69.1-28.9177.400000113.4S269 T273 S274S269-A271 VanDerWaalsContact C-N 3.31Å; S269-A271 PolarHBondContact O-N 3.31Å; A271-T273 VanDerWaalsContact C-N 3.33Å; A271-S274 PolarHBondContact O-OG 3.38Å
272S53.9Low74.5Confident75 Ų7567.7 Ų67.752%0.52444%0.442SS..Hα-helixtrans-76.5-17.9179.565.50000114.1Y268 S269 D270Y268-S272 PolarHBondContact O-N 2.88Å; S269-S272 PolarHBondContact O-N 3.11Å; S269-S272 PolarHBondContact O-OG 3.36Å; D270-S272 VanDerWaalsContact C-N 3.34Å; D270-S272 PolarHBondContact O-N 2.73Å
273T48.7Very low72.8Confident121 Ų12170.5 Ų70.574%0.74246%0.463SS*.THydrogen-bonded Turntrans-90.2-5.2178.7-17.30000113.3S269 D270 A271S269-T273 PolarHBondContact O-OG1 3.03Å; S269-T273 VanDerWaalsContact O-OG1 3.11Å; D270-T273 PolarHBondContact O-N 3.45Å; A271-T273 VanDerWaalsContact C-N 3.33Å
274S45.2Very low70.9Confident102 Ų10275.6 Ų75.671%0.71350%0.495SS*.  trans-115.115.5-175.432.50000113.5D270 A271D270-S274 PolarHBondContact O-OG 3.47Å; A271-S274 PolarHBondContact O-OG 3.38Å
275G35.9Very low68.7Low135 Ų13582.2 Ų82.2100%1.39254%0.538SS*.  trans-114017600000113.6

Retrieved 275 of 275 residues in 581.8 ms (Link to these results)

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