A0A3Q0KHY7_SCHMA Loading...

Orfan

AlphaFold DB , UniProt , Accession A0A3Q0KHY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 323 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
1M78.9Confident84.4Confident47 Ų4759.7 Ų59.723%0.23231%0.312CS..  0-47.80-165173.1-78.300111.3N3 L4 Y5 F53 I56 K57 F78 I82M1-N3 PolarHBondContact O-N 3.37Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-Y5 PolarHBondContact O-N 3.3Å; M1-Y5 VanDerWaalsContact O-N 3.11Å; M1-F53 HydrophobicContact CG-CD1 4.22Å; M1-I56 HydrophobicContact CE-CG2 3.73Å; M1-I56 HydrophobicContact SD-CG2 3.89Å; M1-K57 HydrophobicContact CG-CB 4.43Å; M1-K57 HydrophobicContact SD-CB 3.98Å; M1-F78 HydrophobicContact CE-CB 3.93Å; M1-F78 HydrophobicContact CE-CD1 3.31Å; M1-F78 HydrophobicContact CE-CD2 3.88Å; M1-F78 HydrophobicContact CE-CE1 3.65Å; M1-F78 HydrophobicContact CE-CE2 4.2Å; M1-F78 HydrophobicContact CE-CG 3.42Å; M1-F78 VanDerWaalsContact CE-CG 3.42Å; M1-F78 HydrophobicContact CE-CZ 4.1Å; M1-I82 HydrophobicContact CB-CD1 4.08Å
2D80.9Confident84.5Confident87 Ų8764.3 Ų64.347%0.46533%0.33SS..Hα-helixtrans-50.9-50.2-178.2-64.3-42.3000114.9L4 Y5 H6 K57D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.04Å; D2-Y5 PolarHBondContact O-N 3.11Å; D2-H6 PolarHBondContact O-CD2 3.33Å; D2-H6 PolarHBondContact O-N 3.08Å; D2-K57 WeakPolarHBondContact OD1-CD 3.19Å; D2-K57 WeakPolarHBondContact OD1-CE 3.49Å; D2-K57 IonicContact OD1-NZ 2.78Å; D2-K57 PolarHBondContact OD1-NZ 3.35Å
3N85.2Confident84.7Confident90 Ų9061.8 Ų61.848%0.48132%0.321SS..Hα-helixtrans-57.8-45-179.2-170.713.6000111.7M1 Y5 H6 Q7M1-N3 PolarHBondContact O-N 3.37Å; N3-Y5 PolarHBondContact O-N 3.03Å; N3-H6 PolarHBondContact O-N 3.34Å; N3-Q7 WeakPolarHBondContact O-CB 3.21Å; N3-Q7 VanDerWaalsContact O-CG 3.27Å; N3-Q7 WeakPolarHBondContact O-CG 3.12Å; N3-Q7 PolarHBondContact O-N 2.97Å
4L85.2Confident84.8Confident1 Ų160.2 Ų60.21%0.00531%0.313CS..Hα-helixtrans-63.6-43.9179.5-178.362.6000111.9M1 D2 Q7 L8 F53 Q86 L89M1-L4 PolarHBondContact O-N 3.47Å; M1-L4 VanDerWaalsContact O-N 3.14Å; D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.04Å; L4-Q7 PolarHBondContact O-N 3.01Å; L4-L8 HydrophobicContact CD1-CD1 4.46Å; L4-L8 HydrophobicContact CG-CD1 4.28Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 2.86Å; L4-F53 HydrophobicContact CD2-CD1 4.42Å; L4-F53 HydrophobicContact CD2-CE1 3.72Å; L4-F53 HydrophobicContact CD2-CE2 4.09Å; L4-F53 HydrophobicContact CD2-CZ 3.53Å; L4-Q86 HydrophobicContact CD1-CG 4.28Å; L4-L89 HydrophobicContact CD1-CD1 3.42Å; L4-L89 VanDerWaalsContact CD1-CD1 3.42Å; L4-L89 HydrophobicContact CD1-CG 4.23Å
5Y86Confident84.9Confident55 Ų5557.7 Ų57.722%0.21630%0.303CS..Hα-helixtrans-61-46.5175.1168.3-100.7000111.7M1 D2 N3 Q7 L8 N9 F53 G54 K57M1-Y5 PolarHBondContact O-N 3.3Å; M1-Y5 VanDerWaalsContact O-N 3.11Å; D2-Y5 PolarHBondContact O-N 3.11Å; N3-Y5 PolarHBondContact O-N 3.03Å; Y5-Q7 VanDerWaalsContact C-N 3.34Å; Y5-Q7 PolarHBondContact O-N 3.13Å; Y5-L8 PolarHBondContact O-N 2.89Å; Y5-N9 HydrophobicContact CE2-CB 4.49Å; Y5-N9 VanDerWaalsContact O-CB 3.25Å; Y5-N9 WeakPolarHBondContact O-CB 3.37Å; Y5-N9 PolarHBondContact O-N 2.72Å; Y5-F53 HydrophobicContact CD2-CB 4.27Å; Y5-G54 VanDerWaalsContact CE2-CA 3.48Å; Y5-K57 HydrophobicContact CD1-CD 4.11Å; Y5-K57 HydrophobicContact CG-CD 4.27Å
6H85.5Confident84.8Confident98 Ų9855.9 Ų55.945%0.45429%0.293SS..Hα-helixtrans-63.2-41.7178.8-76-60.9000111.7D2 N3 N9 S10D2-H6 PolarHBondContact O-CD2 3.33Å; D2-H6 PolarHBondContact O-N 3.08Å; N3-H6 PolarHBondContact O-N 3.34Å; H6-N9 PolarHBondContact O-N 2.99Å; H6-S10 VanDerWaalsContact O-CB 3.29Å; H6-S10 WeakPolarHBondContact O-CB 3.25Å; H6-S10 PolarHBondContact O-N 3.21Å; H6-S10 PolarHBondContact O-OG 3.29Å
7Q87.9Confident84.7Confident64 Ų6457.5 Ų57.530%0.29931%0.306SS..Hα-helixtrans-61.2-48.3175.5-73.4177.3-29.100111.6N3 L4 Y5 N9 S10 L11 L89N3-Q7 WeakPolarHBondContact O-CB 3.21Å; N3-Q7 VanDerWaalsContact O-CG 3.27Å; N3-Q7 WeakPolarHBondContact O-CG 3.12Å; N3-Q7 PolarHBondContact O-N 2.97Å; L4-Q7 PolarHBondContact O-N 3.01Å; Y5-Q7 VanDerWaalsContact C-N 3.34Å; Y5-Q7 PolarHBondContact O-N 3.13Å; Q7-N9 PolarHBondContact O-N 3.08Å; Q7-S10 PolarHBondContact O-N 2.91Å; Q7-S10 PolarHBondContact O-OG 3.39Å; Q7-L11 VanDerWaalsContact O-CG 3.29Å; Q7-L11 WeakPolarHBondContact O-CG 3.48Å; Q7-L11 PolarHBondContact O-N 2.93Å; Q7-L89 HydrophobicContact CB-CD1 3.68Å
8L86.3Confident84.6Confident10 Ų1057.9 Ų57.95%0.05231%0.308CS..Hα-helixtrans-61-44176.5-77.9167.5000112.6L4 Y5 S10 L11 L46 L49 F53 L89L4-L8 HydrophobicContact CD1-CD1 4.46Å; L4-L8 HydrophobicContact CG-CD1 4.28Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 2.86Å; Y5-L8 PolarHBondContact O-N 2.89Å; L8-S10 VanDerWaalsContact C-N 3.34Å; L8-S10 PolarHBondContact O-N 3.44Å; L8-L11 HydrophobicContact CD2-CD1 4.16Å; L8-L11 WeakPolarHBondContact O-CB 3.41Å; L8-L11 WeakPolarHBondContact O-CG 3.49Å; L8-L11 PolarHBondContact O-N 3.35Å; L8-L46 HydrophobicContact CD2-CD2 4.12Å; L8-L49 HydrophobicContact CD1-CB 4.47Å; L8-F53 HydrophobicContact CD1-CD2 3.81Å; L8-F53 HydrophobicContact CD1-CE2 4.31Å; L8-F53 HydrophobicContact CD1-CG 4.47Å; L8-L89 HydrophobicContact CD2-CD2 3.83Å; L8-L89 HydrophobicContact CD2-CG 4.43Å; L8-L89 HydrophobicContact CG-CD1 4.3Å; L8-L89 HydrophobicContact CG-CD2 4.41Å
9N81.9Confident84.5Confident100 Ų10054.8 Ų54.854%0.53529%0.292SS..Hα-helixtrans-73.3-25.9-176.3-168.852.8000113.2Y5 H6 Q7Y5-N9 HydrophobicContact CE2-CB 4.49Å; Y5-N9 VanDerWaalsContact O-CB 3.25Å; Y5-N9 WeakPolarHBondContact O-CB 3.37Å; Y5-N9 PolarHBondContact O-N 2.72Å; H6-N9 PolarHBondContact O-N 2.99Å; Q7-N9 PolarHBondContact O-N 3.08Å
10S86Confident84.3Confident79 Ų7956.8 Ų56.855%0.55230%0.302SS*.THydrogen-bonded Turntrans-94.13.2178.160.80000113.8H6 Q7 L8 Q12H6-S10 VanDerWaalsContact O-CB 3.29Å; H6-S10 WeakPolarHBondContact O-CB 3.25Å; H6-S10 PolarHBondContact O-N 3.21Å; H6-S10 PolarHBondContact O-OG 3.29Å; Q7-S10 PolarHBondContact O-N 2.91Å; Q7-S10 PolarHBondContact O-OG 3.39Å; L8-S10 VanDerWaalsContact C-N 3.34Å; L8-S10 PolarHBondContact O-N 3.44Å; S10-Q12 PolarHBondContact O-N 3.19Å; S10-Q12 VanDerWaalsContact O-N 3.13Å
11L84.5Confident84.3Confident26 Ų2661.5 Ų61.514%0.13632%0.32CS..  trans-57.7119.4178.2-73.6-175.6000111Q7 L8 C13 I36 L46 L89 L92 Y93Q7-L11 VanDerWaalsContact O-CG 3.29Å; Q7-L11 WeakPolarHBondContact O-CG 3.48Å; Q7-L11 PolarHBondContact O-N 2.93Å; L8-L11 HydrophobicContact CD2-CD1 4.16Å; L8-L11 WeakPolarHBondContact O-CB 3.41Å; L8-L11 WeakPolarHBondContact O-CG 3.49Å; L8-L11 PolarHBondContact O-N 3.35Å; L11-C13 PolarHBondContact O-N 3.41Å; L11-I36 HydrophobicContact CD2-CD1 3.61Å; L11-L46 HydrophobicContact CD1-CB 4.5Å; L11-L46 HydrophobicContact CD1-CD1 4.02Å; L11-L46 HydrophobicContact CD1-CD2 4.06Å; L11-L46 HydrophobicContact CD1-CG 4.42Å; L11-L89 HydrophobicContact CD1-CD2 4.05Å; L11-L89 HydrophobicContact CD2-CD2 4.34Å; L11-L92 HydrophobicContact CD1-CD2 4.27Å; L11-Y93 HydrophobicContact CD2-CE2 4.02Å; L11-Y93 WeakPolarHBondContact CD2-OH 3.49Å
12Q86.1Confident84.3Confident114 Ų11464.1 Ų64.153%0.53333%0.331SS..  trans-88.9103.4169.1-67.8-175.7-9.700108.3S10 I35 I36S10-Q12 PolarHBondContact O-N 3.19Å; S10-Q12 VanDerWaalsContact O-N 3.13Å; Q12-I35 HydrophobicContact CB-CG1 4.47Å; Q12-I35 WeakPolarHBondContact O-CA 3.28Å; Q12-I36 PolarHBondContact O-N 3.06Å
13C86.7Confident83.9Confident32 Ų3263 Ų6322%0.21632%0.322CS..EExtended strand (participates in β ladder)trans-107.7139.3-179.1-64.30000110.9L11 I36 T38 M43L11-C13 PolarHBondContact O-N 3.41Å; C13-I36 CarbonylContact C-O 3.54Å; C13-I36 VanDerWaalsContact CA-O 3.29Å; C13-I36 WeakPolarHBondContact CA-O 3.34Å; C13-T38 HydrophobicContact CB-CG2 4.01Å; C13-M43 HydrophobicContact CB-CE 3.11Å; C13-M43 HydrophobicContact CB-SD 3.49Å; C13-M43 WeakPolarHBondContact CB-SD 3.4Å
14L85.4Confident83.3Confident40 Ų4067.5 Ų67.521%0.20934%0.337CS..EExtended strand (participates in β ladder)trans-122.7141.7174.2-176.566.4000108.7D18 Y19 L26 I35 I36 I37 T38L14-D18 HydrophobicContact CD1-CB 3.77Å; L14-D18 HydrophobicContact CG-CB 4.26Å; L14-Y19 HydrophobicContact CD2-CD2 4.41Å; L14-L26 HydrophobicContact CD2-CD1 3.58Å; L14-L26 HydrophobicContact CD2-CD2 4.3Å; L14-I35 HydrophobicContact CB-CG2 3.66Å; L14-I36 PolarHBondContact N-O 2.87Å; L14-I37 HydrophobicContact CB-CD1 3.92Å; L14-I37 HydrophobicContact CD2-CD1 3.98Å; L14-I37 HydrophobicContact CG-CD1 4.31Å; L14-I37 CarbonylContact O-C 3.56Å; L14-I37 WeakPolarHBondContact O-CA 3.07Å; L14-T38 PolarHBondContact O-N 3.29Å; L14-T38 PolarHBondContact O-OG1 3.21Å
15S86.7Confident82.7Confident22 Ų2273 Ų7315%0.15437%0.367CS..EExtended strand (participates in β ladder)trans-70.1146.4175.7790000110.4T17 D18 Y19 T38S15-T17 PolarHBondContact O-N 3.32Å; S15-T17 PolarHBondContact OG-OG1 2.78Å; S15-D18 PolarHBondContact O-N 2.89Å; S15-D18 VanDerWaalsContact OG-CB 3.29Å; S15-D18 WeakPolarHBondContact OG-CB 3.27Å; S15-D18 PolarHBondContact OG-N 3.21Å; S15-D18 PolarHBondContact OG-OD2 3.05Å; S15-Y19 WeakPolarHBondContact O-CB 3.46Å; S15-Y19 PolarHBondContact O-N 3.27Å; S15-T38 CarbonylContact C-O 3.52Å; S15-T38 WeakPolarHBondContact CA-O 3.36Å
16I83.8Confident81.9Confident30 Ų3071.7 Ų71.715%0.15436%0.363CS..Hα-helixtrans-58.7-35.4174.7-168.4166.4000112.2Y19 L20 I37 T38 I110 I114I16-Y19 PolarHBondContact O-N 3.39Å; I16-L20 HydrophobicContact CG1-CD1 4.24Å; I16-L20 HydrophobicContact CG1-CG 4.39Å; I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 VanDerWaalsContact O-CG 3.25Å; I16-L20 WeakPolarHBondContact O-CG 3.49Å; I16-L20 PolarHBondContact O-N 3.14Å; I16-I37 HydrophobicContact CB-CG2 3.81Å; I16-I37 HydrophobicContact CG1-CG2 4.04Å; I16-T38 PolarHBondContact N-O 3.46Å; I16-I110 HydrophobicContact CD1-CB 4.17Å; I16-I110 HydrophobicContact CD1-CG2 3.35Å; I16-I114 HydrophobicContact CD1-CD1 3.95Å
17T83Confident80.9Confident83 Ų8370.1 Ų70.151%0.50936%0.358SS..Hα-helixtrans-63.9-42.5176.543.20000112.2S15 K21S15-T17 PolarHBondContact O-N 3.32Å; S15-T17 PolarHBondContact OG-OG1 2.78Å; T17-K21 WeakPolarHBondContact O-CG 3.35Å; T17-K21 PolarHBondContact O-N 3.1Å
18D82.4Confident79.8Confident64 Ų6474 Ų7434%0.34238%0.381SS..Hα-helixtrans-72.6-37.6178.3-62.2-32.2000111L14 S15 K21 H22L14-D18 HydrophobicContact CD1-CB 3.77Å; L14-D18 HydrophobicContact CG-CB 4.26Å; S15-D18 PolarHBondContact O-N 2.89Å; S15-D18 VanDerWaalsContact OG-CB 3.29Å; S15-D18 WeakPolarHBondContact OG-CB 3.27Å; S15-D18 PolarHBondContact OG-N 3.21Å; S15-D18 PolarHBondContact OG-OD2 3.05Å; D18-K21 PolarHBondContact O-N 2.94Å; D18-H22 PolarHBondContact O-CD2 3.28Å; D18-H22 VanDerWaalsContact O-CD2 3.31Å; D18-H22 PolarHBondContact O-N 3.42Å
19Y83.4Confident78.6Confident0 Ų080.4 Ų80.40%041%0.409CS..Hα-helixtrans-58.7-47.8173.3174.7-107.6000111.8L14 S15 I16 K21 H22 K23 L26 N27 I37 I98 I101 T102 I105L14-Y19 HydrophobicContact CD2-CD2 4.41Å; S15-Y19 WeakPolarHBondContact O-CB 3.46Å; S15-Y19 PolarHBondContact O-N 3.27Å; I16-Y19 PolarHBondContact O-N 3.39Å; Y19-K21 VanDerWaalsContact C-N 3.31Å; Y19-K21 PolarHBondContact O-N 3.31Å; Y19-H22 CarbonylContact O-C 3.58Å; Y19-H22 PolarHBondContact O-N 3.35Å; Y19-K23 WeakPolarHBondContact O-CA 3.5Å; Y19-K23 PolarHBondContact O-N 3.01Å; Y19-L26 HydrophobicContact CD2-CD1 3.95Å; Y19-L26 HydrophobicContact CE2-CB 4.45Å; Y19-N27 PolarHBondContact OH-OD1 3.42Å; Y19-I37 HydrophobicContact CD1-CG1 4.41Å; Y19-I37 HydrophobicContact CD2-CD1 3.72Å; Y19-I37 HydrophobicContact CD2-CG1 4.28Å; Y19-I37 HydrophobicContact CG-CD1 3.71Å; Y19-I37 HydrophobicContact CG-CG1 4.08Å; Y19-I98 HydrophobicContact CD2-CD1 4.38Å; Y19-I98 HydrophobicContact CD2-CG1 4.22Å; Y19-I98 HydrophobicContact CE2-CB 4.41Å; Y19-I98 HydrophobicContact CE2-CD1 4.35Å; Y19-I98 HydrophobicContact CE2-CG1 4.03Å; Y19-I98 HydrophobicContact CE2-CG2 3.8Å; Y19-I101 HydrophobicContact CD1-CG2 4.01Å; Y19-I101 HydrophobicContact CE1-CG2 3.59Å; Y19-T102 PolarHBondContact OH-OG1 3.49Å; Y19-I105 HydrophobicContact CE1-CD1 3.74Å
20L80.5Confident77.2Confident94 Ų9480.9 Ų80.949%0.49242%0.42SS..Hα-helixtrans-62.7-37179.1-71173.2000112.2I16 I105I16-L20 HydrophobicContact CG1-CD1 4.24Å; I16-L20 HydrophobicContact CG1-CG 4.39Å; I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 VanDerWaalsContact O-CG 3.25Å; I16-L20 WeakPolarHBondContact O-CG 3.49Å; I16-L20 PolarHBondContact O-N 3.14Å; L20-I105 HydrophobicContact CD2-CD1 3.72Å; L20-I105 HydrophobicContact CD2-CG1 4.5Å
21K83.3Confident76Confident155 Ų15583.1 Ų83.167%0.67443%0.425SS*.Hα-helixtrans-66.6-36.1175.5-73.4173.9-177.4175.20113.1T17 D18 Y19T17-K21 WeakPolarHBondContact O-CG 3.35Å; T17-K21 PolarHBondContact O-N 3.1Å; D18-K21 PolarHBondContact O-N 2.94Å; Y19-K21 VanDerWaalsContact C-N 3.31Å; Y19-K21 PolarHBondContact O-N 3.31Å
22H79.5Confident74.9Confident102 Ų10282.3 Ų82.347%0.47242%0.422SS..Hα-helixtrans-111.414.5-172.5-62.7-66.2000114.5D18 Y19 K24 N25 L26D18-H22 PolarHBondContact O-CD2 3.28Å; D18-H22 VanDerWaalsContact O-CD2 3.31Å; D18-H22 PolarHBondContact O-N 3.42Å; Y19-H22 CarbonylContact O-C 3.58Å; Y19-H22 PolarHBondContact O-N 3.35Å; H22-K24 VanDerWaalsContact C-N 3.28Å; H22-K24 PolarHBondContact O-N 3.1Å; H22-K24 VanDerWaalsContact O-N 3.1Å; H22-N25 PolarHBondContact O-N 3.21Å; H22-L26 HydrophobicContact CB-CD1 3.76Å; H22-L26 HydrophobicContact CB-CG 4.45Å; H22-L26 PolarHBondContact O-N 2.88Å; H22-L26 VanDerWaalsContact O-N 3.17Å
23K73.4Confident73.8Confident64 Ų6479.8 Ų79.828%0.27842%0.417SS..Hα-helixtrans-47.8-44.7-172.5-173.7177.9179.7-177.80113.8Y19 N25 L26 N27 I105Y19-K23 WeakPolarHBondContact O-CA 3.5Å; Y19-K23 PolarHBondContact O-N 3.01Å; K23-N25 VanDerWaalsContact C-N 3.31Å; K23-N25 PolarHBondContact O-N 3.35Å; K23-L26 PolarHBondContact O-N 3.29Å; K23-N27 PolarHBondContact O-N 2.78Å; K23-I105 HydrophobicContact CD-CD1 4.04Å
24K71.9Confident73.2Confident184 Ų18480.7 Ų80.780%0.842%0.423SS*.Hα-helixtrans-60.9-35.9-179.6-71.1-173.5178.7-179.10113.3H22H22-K24 VanDerWaalsContact C-N 3.28Å; H22-K24 PolarHBondContact O-N 3.1Å; H22-K24 VanDerWaalsContact O-N 3.1Å
25N72.2Confident73.2Confident116 Ų11680.3 Ų80.362%0.6242%0.421SS*.Hα-helixtrans-85.3-30.8-176.9-67.1-9.3000112.3H22 K23H22-N25 PolarHBondContact O-N 3.21Å; K23-N25 VanDerWaalsContact C-N 3.31Å; K23-N25 PolarHBondContact O-N 3.35Å
26L68.5Low73.2Confident28 Ų2879.2 Ų79.215%0.14741%0.414CS..Hα-helixtrans-77.3-36.6-175.7-79.6156.8000112.6L14 Y19 H22 K23 N28 K29 S32 I35 I98L14-L26 HydrophobicContact CD2-CD1 3.58Å; L14-L26 HydrophobicContact CD2-CD2 4.3Å; Y19-L26 HydrophobicContact CD2-CD1 3.95Å; Y19-L26 HydrophobicContact CE2-CB 4.45Å; H22-L26 HydrophobicContact CB-CD1 3.76Å; H22-L26 HydrophobicContact CB-CG 4.45Å; H22-L26 PolarHBondContact O-N 2.88Å; H22-L26 VanDerWaalsContact O-N 3.17Å; K23-L26 PolarHBondContact O-N 3.29Å; L26-N28 PolarHBondContact O-N 3.42Å; L26-K29 PolarHBondContact O-N 3.45Å; L26-S32 WeakPolarHBondContact O-CB 3.4Å; L26-I35 HydrophobicContact CD2-CD1 4.45Å; L26-I98 HydrophobicContact CB-CD1 4.44Å; L26-I98 HydrophobicContact CD2-CD1 4.28Å
27N66.4Low73.4Confident65 Ų6577.8 Ų77.835%0.34841%0.407SS..THydrogen-bonded Turntrans-66.1-19.4-178.4-73.83.6000113.7Y19 K23Y19-N27 PolarHBondContact OH-OD1 3.42Å; K23-N27 PolarHBondContact O-N 2.78Å
28N64.4Low73.5Confident145 Ų14573.9 Ų73.978%0.77538%0.383SS*.THydrogen-bonded Turntrans-89-7.5-178.6-69.6-7.8000114L26L26-N28 PolarHBondContact O-N 3.42Å
29K59.7Low73.7Confident146 Ų14671.9 Ų71.964%0.63537%0.373SS*.  trans-90.7125.5-178.2-72.4-173.7177.1-176.70110.7L26 N31 S32L26-K29 PolarHBondContact O-N 3.45Å; K29-N31 PolarHBondContact O-N 3.49Å; K29-S32 WeakPolarHBondContact O-CB 3.2Å; K29-S32 PolarHBondContact O-N 3.32Å; K29-S32 PolarHBondContact O-OG 3.24Å
30S54.3Low73.6Confident109 Ų10976.4 Ų76.476%0.76240%0.402SS*.G310 helixtrans-55.5-34.2174.848.40000113.3S32S30-S32 VanDerWaalsContact C-N 3.27Å; S30-S32 PolarHBondContact O-N 3.21Å
31N59.9Low73.8Confident126 Ų12676.9 Ų76.967%0.67440%0.402SS*.G310 helixtrans-824.2178.2-67.5-2.1000114.2K29 S33 S34K29-N31 PolarHBondContact O-N 3.49Å; N31-S33 PolarHBondContact O-N 2.92Å; N31-S34 PolarHBondContact O-OG 3.22Å
32S60.9Low74Confident9 Ų969.5 Ų69.56%0.06337%0.37CS..G310 helixtrans-71.1-18.2-178.862.60000113.4L26 K29 S30 S34 I35 I98L26-S32 WeakPolarHBondContact O-CB 3.4Å; K29-S32 WeakPolarHBondContact O-CB 3.2Å; K29-S32 PolarHBondContact O-N 3.32Å; K29-S32 PolarHBondContact O-OG 3.24Å; S30-S32 VanDerWaalsContact C-N 3.27Å; S30-S32 PolarHBondContact O-N 3.21Å; S32-S34 VanDerWaalsContact C-N 3.29Å; S32-S34 PolarHBondContact O-N 3.31Å; S32-I35 PolarHBondContact O-N 3.2Å; S32-I98 WeakPolarHBondContact O-CD1 3.42Å
33S63.6Low74.4Confident62 Ų6266.6 Ų66.643%0.43436%0.357SS..G310 helixtrans-66.7-27.2-177.456.60000113.6N31N31-S33 PolarHBondContact O-N 2.92Å
34S75Confident74.7Confident50 Ų5064.8 Ų64.835%0.3536%0.356SS..G310 helixtrans-83.3-10.8177.5600000113.9N31 S32N31-S34 PolarHBondContact O-OG 3.22Å; S32-S34 VanDerWaalsContact C-N 3.29Å; S32-S34 PolarHBondContact O-N 3.31Å
35I85.1Confident75.3Confident32 Ų3256 Ų5616%0.16432%0.318CS..PPolyproline II helixtrans-82123.9-179.5-57.4175.3000109Q12 L14 L26 S32 I37 I98Q12-I35 HydrophobicContact CB-CG1 4.47Å; Q12-I35 WeakPolarHBondContact O-CA 3.28Å; L14-I35 HydrophobicContact CB-CG2 3.66Å; L26-I35 HydrophobicContact CD2-CD1 4.45Å; S32-I35 PolarHBondContact O-N 3.2Å; I35-I37 HydrophobicContact CG2-CD1 4.45Å; I35-I98 HydrophobicContact CB-CD1 3.81Å; I35-I98 HydrophobicContact CB-CG1 4.38Å; I35-I98 HydrophobicContact CD1-CD1 4.26Å; I35-I98 HydrophobicContact CG2-CD1 4.07Å; I35-I98 PolarHBondContact O-N 3.08Å
36I86.9Confident76.1Confident0 Ų050.8 Ų50.80%029%0.29CS..EExtended strand (participates in β ladder)trans-93.1123.9177.7-54-169.4000109L11 Q12 C13 L14 T38 L92 Y93 C96L11-I36 HydrophobicContact CD2-CD1 3.61Å; Q12-I36 PolarHBondContact O-N 3.06Å; C13-I36 CarbonylContact C-O 3.54Å; C13-I36 VanDerWaalsContact CA-O 3.29Å; C13-I36 WeakPolarHBondContact CA-O 3.34Å; L14-I36 PolarHBondContact N-O 2.87Å; I36-T38 HydrophobicContact CB-CG2 4.4Å; I36-T38 HydrophobicContact CG2-CG2 3.76Å; I36-L92 HydrophobicContact CD1-CD2 3.49Å; I36-L92 VanDerWaalsContact CD1-CD2 3.49Å; I36-L92 HydrophobicContact CD1-CG 3.78Å; I36-L92 HydrophobicContact CG2-CD1 3.92Å; I36-L92 HydrophobicContact CG2-CD2 4.09Å; I36-L92 HydrophobicContact CG2-CG 3.77Å; I36-Y93 HydrophobicContact CD1-CD1 3.83Å; I36-Y93 HydrophobicContact CD1-CD2 4.33Å; I36-Y93 HydrophobicContact CD1-CE1 3.62Å; I36-Y93 HydrophobicContact CD1-CE2 4.13Å; I36-Y93 HydrophobicContact CD1-CG 4.18Å; I36-Y93 HydrophobicContact CG1-CD1 3.96Å; I36-Y93 HydrophobicContact CG1-CE1 3.78Å; I36-C96 HydrophobicContact CG2-CB 3.59Å
37I86.4Confident76.9Confident0 Ų057.6 Ų57.60%031%0.314CS..EExtended strand (participates in β ladder)trans-81.2127.6172.2-54.2-49.2000109.1L14 I16 Y19 I35 C96 I98 I101L14-I37 HydrophobicContact CB-CD1 3.92Å; L14-I37 HydrophobicContact CD2-CD1 3.98Å; L14-I37 HydrophobicContact CG-CD1 4.31Å; L14-I37 CarbonylContact O-C 3.56Å; L14-I37 WeakPolarHBondContact O-CA 3.07Å; I16-I37 HydrophobicContact CB-CG2 3.81Å; I16-I37 HydrophobicContact CG1-CG2 4.04Å; Y19-I37 HydrophobicContact CD1-CG1 4.41Å; Y19-I37 HydrophobicContact CD2-CD1 3.72Å; Y19-I37 HydrophobicContact CD2-CG1 4.28Å; Y19-I37 HydrophobicContact CG-CD1 3.71Å; Y19-I37 HydrophobicContact CG-CG1 4.08Å; I35-I37 HydrophobicContact CG2-CD1 4.45Å; I37-C96 PolarHBondContact N-O 3.35Å; I37-C96 WeakPolarHBondContact O-CB 3.43Å; I37-I98 HydrophobicContact CD1-CD1 4.23Å; I37-I98 HydrophobicContact CD1-CG1 3.66Å; I37-I98 HydrophobicContact CG1-CG1 3.94Å; I37-I101 HydrophobicContact CB-CD1 3.71Å; I37-I101 HydrophobicContact CB-CG1 3.8Å; I37-I101 HydrophobicContact CG1-CB 4.33Å; I37-I101 HydrophobicContact CG1-CD1 4.33Å; I37-I101 HydrophobicContact CG1-CG1 3.88Å; I37-I101 HydrophobicContact CG1-CG2 4.35Å; I37-I101 HydrophobicContact CG2-CD1 3.98Å; I37-I101 HydrophobicContact CG2-CG1 4.44Å
38T86.9Confident77.9Confident1 Ų159.4 Ų59.41%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-135.8166.2-170.758.20000111.4C13 L14 S15 I16 I36 L42 L46C13-T38 HydrophobicContact CB-CG2 4.01Å; L14-T38 PolarHBondContact O-N 3.29Å; L14-T38 PolarHBondContact O-OG1 3.21Å; S15-T38 CarbonylContact C-O 3.52Å; S15-T38 WeakPolarHBondContact CA-O 3.36Å; I16-T38 PolarHBondContact N-O 3.46Å; I36-T38 HydrophobicContact CB-CG2 4.4Å; I36-T38 HydrophobicContact CG2-CG2 3.76Å; T38-L42 HydrophobicContact CG2-CD2 4.14Å; T38-L42 HydrophobicContact CG2-CG 4.38Å; T38-L46 HydrophobicContact CG2-CD1 4.38Å
39T86.1Confident79Confident21 Ų2152.5 Ų52.513%0.12928%0.279CS..  trans-98.3163.5162.267.80000110.2E41 L42 M43 I114T39-E41 WeakPolarHBondContact CB-OE2 3.49Å; T39-E41 PolarHBondContact O-N 2.92Å; T39-E41 PolarHBondContact OG1-OE2 2.94Å; T39-L42 PolarHBondContact O-N 3.35Å; T39-L42 PolarHBondContact OG1-N 3.44Å; T39-M43 WeakPolarHBondContact O-CB 3.29Å; T39-M43 PolarHBondContact O-N 2.63Å; T39-I114 HydrophobicContact CG2-CG2 3.85Å
40P81.1Confident80.3Confident96 Ų9646.1 Ų46.162%0.62325%0.253SS*.Hα-helixtrans-53.8-37.8176-26.936.4000113.7G44P40-G44 PolarHBondContact O-N 3.01Å
41E84.6Confident81.7Confident104 Ų10446.1 Ų46.149%0.48624%0.237SC..Hα-helixtrans-68.7-46.2-178.7-53.676-165.100111.2T39 G44 T45 Y118T39-E41 WeakPolarHBondContact CB-OE2 3.49Å; T39-E41 PolarHBondContact O-N 2.92Å; T39-E41 PolarHBondContact OG1-OE2 2.94Å; E41-G44 PolarHBondContact O-N 3.31Å; E41-T45 WeakPolarHBondContact O-CB 3.43Å; E41-T45 PolarHBondContact O-N 3.19Å; E41-T45 PolarHBondContact O-OG1 3.17Å; E41-Y118 HydrophobicContact CB-CD2 4.28Å; E41-Y118 HydrophobicContact CB-CE2 3.83Å
42L87.6Confident83Confident0 Ų041.1 Ų41.10%021%0.209CC..Hα-helixtrans-64.6-44.5176.2178.256.8000111.1T38 T39 G44 T45 L46 L92 I114 Y118 F121T38-L42 HydrophobicContact CG2-CD2 4.14Å; T38-L42 HydrophobicContact CG2-CG 4.38Å; T39-L42 PolarHBondContact O-N 3.35Å; T39-L42 PolarHBondContact OG1-N 3.44Å; L42-G44 VanDerWaalsContact C-N 3.34Å; L42-G44 PolarHBondContact O-N 3.35Å; L42-T45 WeakPolarHBondContact O-CB 3.32Å; L42-T45 PolarHBondContact O-N 2.91Å; L42-T45 VanDerWaalsContact O-N 3.16Å; L42-L46 HydrophobicContact CD1-CD1 4.24Å; L42-L46 HydrophobicContact CD1-CG 4.11Å; L42-L46 HydrophobicContact CG-CD1 4.09Å; L42-L46 HydrophobicContact CG-CG 4.43Å; L42-L46 WeakPolarHBondContact O-CG 3.28Å; L42-L46 PolarHBondContact O-N 2.84Å; L42-L92 HydrophobicContact CD2-CD1 3.92Å; L42-I114 HydrophobicContact CD2-CG2 3.79Å; L42-Y118 HydrophobicContact CB-CD2 4.29Å; L42-F121 HydrophobicContact CD1-CB 4.39Å; L42-F121 HydrophobicContact CD1-CD2 3.95Å; L42-F121 HydrophobicContact CD1-CG 4.33Å
43M86.8Confident84.1Confident41 Ų4140.7 Ų40.720%0.20221%0.206CC..Hα-helixtrans-56.6-47.8174.3177.578.975.100111.5C13 T39 T45 L46 R47C13-M43 HydrophobicContact CB-CE 3.11Å; C13-M43 HydrophobicContact CB-SD 3.49Å; C13-M43 WeakPolarHBondContact CB-SD 3.4Å; T39-M43 WeakPolarHBondContact O-CB 3.29Å; T39-M43 PolarHBondContact O-N 2.63Å; M43-T45 VanDerWaalsContact C-N 3.27Å; M43-T45 PolarHBondContact O-N 2.93Å; M43-L46 PolarHBondContact O-N 3.31Å; M43-R47 WeakPolarHBondContact O-CG 3.47Å; M43-R47 PolarHBondContact O-N 2.99Å; M43-R47 VanDerWaalsContact O-N 3.08Å
44G81.5Confident85Confident26 Ų2638.2 Ų38.227%0.26819%0.191SC..Hα-helixtrans-57.9-42.2177.200000111.9P40 E41 L42 R47 R48P40-G44 PolarHBondContact O-N 3.01Å; E41-G44 PolarHBondContact O-N 3.31Å; L42-G44 VanDerWaalsContact C-N 3.34Å; L42-G44 PolarHBondContact O-N 3.35Å; G44-R47 PolarHBondContact O-N 2.78Å; G44-R48 WeakPolarHBondContact O-CG 3.38Å; G44-R48 PolarHBondContact O-N 3.27Å
45T84.6Confident85.3Confident0 Ų037.5 Ų37.50%018%0.183CC..Hα-helixtrans-66.6-46.2179.3-55.10000112.4E41 L42 M43 R47 R48 L49 Y118 F121 I122E41-T45 WeakPolarHBondContact O-CB 3.43Å; E41-T45 PolarHBondContact O-N 3.19Å; E41-T45 PolarHBondContact O-OG1 3.17Å; L42-T45 WeakPolarHBondContact O-CB 3.32Å; L42-T45 PolarHBondContact O-N 2.91Å; L42-T45 VanDerWaalsContact O-N 3.16Å; M43-T45 VanDerWaalsContact C-N 3.27Å; M43-T45 PolarHBondContact O-N 2.93Å; T45-R47 VanDerWaalsContact C-N 3.27Å; T45-R47 PolarHBondContact O-N 3.18Å; T45-R48 PolarHBondContact O-N 3.3Å; T45-R48 PolarHBondContact OG1-NH2 2.8Å; T45-L49 HydrophobicContact CG2-CD1 4.23Å; T45-L49 WeakPolarHBondContact O-CB 3.47Å; T45-L49 WeakPolarHBondContact O-CG 3.45Å; T45-L49 PolarHBondContact O-N 2.9Å; T45-Y118 WeakPolarHBondContact OG1-CE2 3.27Å; T45-F121 HydrophobicContact CG2-CB 4.03Å; T45-I122 HydrophobicContact CG2-CD1 3.93Å; T45-I122 HydrophobicContact CG2-CG1 4.47Å
46L87Confident85.2Confident6 Ų636 Ų363%0.03118%0.175CC..Hα-helixtrans-59.4-38.8176-68.6170000112L8 L11 T38 L42 M43 S50 L92 F121L8-L46 HydrophobicContact CD2-CD2 4.12Å; L11-L46 HydrophobicContact CD1-CB 4.5Å; L11-L46 HydrophobicContact CD1-CD1 4.02Å; L11-L46 HydrophobicContact CD1-CD2 4.06Å; L11-L46 HydrophobicContact CD1-CG 4.42Å; T38-L46 HydrophobicContact CG2-CD1 4.38Å; L42-L46 HydrophobicContact CD1-CD1 4.24Å; L42-L46 HydrophobicContact CD1-CG 4.11Å; L42-L46 HydrophobicContact CG-CD1 4.09Å; L42-L46 HydrophobicContact CG-CG 4.43Å; L42-L46 WeakPolarHBondContact O-CG 3.28Å; L42-L46 PolarHBondContact O-N 2.84Å; M43-L46 PolarHBondContact O-N 3.31Å; L46-S50 WeakPolarHBondContact O-CB 3.35Å; L46-S50 PolarHBondContact O-N 3.13Å; L46-L92 HydrophobicContact CD1-CD2 4.02Å; L46-L92 HydrophobicContact CD2-CD2 4.07Å; L46-F121 HydrophobicContact CD2-CD1 3.91Å; L46-F121 HydrophobicContact CD2-CE1 3.64Å; L46-F121 HydrophobicContact CD2-CE2 4.42Å; L46-F121 HydrophobicContact CD2-CG 4.38Å; L46-F121 HydrophobicContact CD2-CZ 3.92Å
47R86.4Confident85.1Confident170 Ų17038.2 Ų38.264%0.64219%0.185SC*.Hα-helixtrans-67.1-44.2175.6-71.7-179.6-179-159-0.1112.4M43 G44 T45 L49 S50 Y51M43-R47 WeakPolarHBondContact O-CG 3.47Å; M43-R47 PolarHBondContact O-N 2.99Å; M43-R47 VanDerWaalsContact O-N 3.08Å; G44-R47 PolarHBondContact O-N 2.78Å; T45-R47 VanDerWaalsContact C-N 3.27Å; T45-R47 PolarHBondContact O-N 3.18Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 2.88Å; R47-S50 PolarHBondContact O-N 3.32Å; R47-Y51 WeakPolarHBondContact O-CB 3.39Å; R47-Y51 PolarHBondContact O-N 3.2Å
48R87.4Confident84.8Confident104 Ų10442.6 Ų42.639%0.39221%0.211SC..Hα-helixtrans-61-43.7175.4-71.8-167.8-52.4-87.2-3.2111.3G44 T45 Y51 K52 E125G44-R48 WeakPolarHBondContact O-CG 3.38Å; G44-R48 PolarHBondContact O-N 3.27Å; T45-R48 PolarHBondContact O-N 3.3Å; T45-R48 PolarHBondContact OG1-NH2 2.8Å; R48-Y51 WeakPolarHBondContact O-CB 3.21Å; R48-Y51 PolarHBondContact O-N 3.49Å; R48-K52 WeakPolarHBondContact O-CB 3.48Å; R48-K52 WeakPolarHBondContact O-CG 3.39Å; R48-K52 PolarHBondContact O-N 2.93Å; R48-E125 WeakPolarHBondContact CB-OE1 3.29Å; R48-E125 IonicContact CZ-OE1 3.87Å; R48-E125 IonicContact CZ-OE2 3.44Å; R48-E125 IonicContact NE-OE1 2.91Å; R48-E125 PolarHBondContact NE-OE1 3.16Å; R48-E125 IonicContact NE-OE2 3.24Å; R48-E125 PolarHBondContact NE-OE2 3.06Å; R48-E125 IonicContact NH2-OE1 3.92Å; R48-E125 IonicContact NH2-OE2 2.77Å; R48-E125 PolarHBondContact NH2-OE2 3.32Å
49L87.5Confident84.4Confident0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-60-48.5174.8-75.6170.7000111.8L8 T45 R47 Y51 K52 F53 F121 F124 E125 L128L8-L49 HydrophobicContact CD1-CB 4.47Å; T45-L49 HydrophobicContact CG2-CD1 4.23Å; T45-L49 WeakPolarHBondContact O-CB 3.47Å; T45-L49 WeakPolarHBondContact O-CG 3.45Å; T45-L49 PolarHBondContact O-N 2.9Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 2.88Å; L49-Y51 VanDerWaalsContact C-N 3.28Å; L49-Y51 PolarHBondContact O-N 2.92Å; L49-K52 PolarHBondContact O-N 3.1Å; L49-F53 WeakPolarHBondContact O-CB 3.43Å; L49-F53 WeakPolarHBondContact O-CD2 3.35Å; L49-F53 PolarHBondContact O-N 3.35Å; L49-F121 HydrophobicContact CD1-CB 4.37Å; L49-F121 HydrophobicContact CD1-CD1 3.52Å; L49-F121 HydrophobicContact CD1-CE1 4.31Å; L49-F121 HydrophobicContact CD1-CG 4.4Å; L49-F124 HydrophobicContact CD1-CD1 4.11Å; L49-F124 HydrophobicContact CD2-CD1 3.87Å; L49-F124 HydrophobicContact CD2-CE1 4.2Å; L49-E125 HydrophobicContact CD2-CB 3.77Å; L49-E125 HydrophobicContact CD2-CG 4.09Å; L49-E125 HydrophobicContact CG-CB 4.32Å; L49-L128 HydrophobicContact CD2-CD2 3.75Å
50S86.6Confident84Confident12 Ų1242.9 Ų42.98%0.08421%0.212CC..Hα-helixtrans-55.7-44.9176.3-178.90000111.6L46 R47 G54L46-S50 WeakPolarHBondContact O-CB 3.35Å; L46-S50 PolarHBondContact O-N 3.13Å; R47-S50 PolarHBondContact O-N 3.32Å; S50-G54 PolarHBondContact O-N 2.93Å
51Y84.3Confident83.9Confident108 Ų10846.1 Ų46.142%0.42421%0.213SC..Hα-helixtrans-62.6-51176.6177.6-101.5000112.4R47 R48 L49 F53 G54 I55 Y132 H254R47-Y51 WeakPolarHBondContact O-CB 3.39Å; R47-Y51 PolarHBondContact O-N 3.2Å; R48-Y51 WeakPolarHBondContact O-CB 3.21Å; R48-Y51 PolarHBondContact O-N 3.49Å; L49-Y51 VanDerWaalsContact C-N 3.28Å; L49-Y51 PolarHBondContact O-N 2.92Å; Y51-F53 VanDerWaalsContact C-N 3.34Å; Y51-F53 PolarHBondContact O-N 3.06Å; Y51-G54 WeakPolarHBondContact O-CA 3.46Å; Y51-G54 PolarHBondContact O-N 3.08Å; Y51-I55 HydrophobicContact CE1-CG1 4.12Å; Y51-I55 HydrophobicContact CE2-CD1 4.32Å; Y51-I55 HydrophobicContact CE2-CG1 4.29Å; Y51-I55 WeakPolarHBondContact O-CG1 3.35Å; Y51-I55 PolarHBondContact O-N 2.97Å; Y51-Y132 HydrophobicContact CE1-CE2 4.34Å; Y51-H254 PolarHBondContact OH-ND1 2.82Å
52K86Confident83.4Confident21 Ų2144.4 Ų44.49%0.09120%0.204CC..Hα-helixtrans-58.2-45.4178.4-72.5176.7175.81740111.5R48 L49 G54 I55 I56 E125 L128 E129 Y132R48-K52 WeakPolarHBondContact O-CB 3.48Å; R48-K52 WeakPolarHBondContact O-CG 3.39Å; R48-K52 PolarHBondContact O-N 2.93Å; L49-K52 PolarHBondContact O-N 3.1Å; K52-G54 VanDerWaalsContact C-N 3.33Å; K52-G54 PolarHBondContact O-N 3.35Å; K52-I55 PolarHBondContact O-N 2.91Å; K52-I56 VanDerWaalsContact O-CG1 3.29Å; K52-I56 WeakPolarHBondContact O-CG1 3.37Å; K52-I56 PolarHBondContact O-N 3.18Å; K52-E125 HydrophobicContact CD-CG 4.37Å; K52-E125 VanDerWaalsContact NZ-CG 3.34Å; K52-E125 IonicContact NZ-OE1 2.55Å; K52-E125 PolarHBondContact NZ-OE1 3.45Å; K52-L128 HydrophobicContact CB-CD2 3.65Å; K52-L128 HydrophobicContact CB-CG 4.48Å; K52-L128 HydrophobicContact CD-CD2 4.28Å; K52-E129 VanDerWaalsContact CE-OE2 3.23Å; K52-E129 WeakPolarHBondContact CE-OE2 3.25Å; K52-E129 IonicContact NZ-OE1 2.68Å; K52-E129 IonicContact NZ-OE2 3.92Å; K52-E129 PolarHBondContact NZ-OE2 3.48Å; K52-Y132 HydrophobicContact CB-CD2 3.9Å; K52-Y132 HydrophobicContact CB-CE2 4.48Å; K52-Y132 HydrophobicContact CB-CG 4.2Å; K52-Y132 HydrophobicContact CD-CD1 4.38Å; K52-Y132 HydrophobicContact CD-CG 4.25Å; K52-Y132 HydrophobicContact CG-CD1 4.16Å; K52-Y132 HydrophobicContact CG-CD2 3.73Å; K52-Y132 HydrophobicContact CG-CE1 4.45Å; K52-Y132 HydrophobicContact CG-CE2 4.05Å; K52-Y132 HydrophobicContact CG-CG 3.79Å
53F85.6Confident82.7Confident0 Ų044.7 Ų44.70%021%0.205CC..Hα-helixtrans-62-39.2174-92.6-73.7000112.8M1 L4 Y5 L8 L49 Y51 I56 K57 F124 L128M1-F53 HydrophobicContact CG-CD1 4.22Å; L4-F53 HydrophobicContact CD2-CD1 4.42Å; L4-F53 HydrophobicContact CD2-CE1 3.72Å; L4-F53 HydrophobicContact CD2-CE2 4.09Å; L4-F53 HydrophobicContact CD2-CZ 3.53Å; Y5-F53 HydrophobicContact CD2-CB 4.27Å; L8-F53 HydrophobicContact CD1-CD2 3.81Å; L8-F53 HydrophobicContact CD1-CE2 4.31Å; L8-F53 HydrophobicContact CD1-CG 4.47Å; L49-F53 WeakPolarHBondContact O-CB 3.43Å; L49-F53 WeakPolarHBondContact O-CD2 3.35Å; L49-F53 PolarHBondContact O-N 3.35Å; Y51-F53 VanDerWaalsContact C-N 3.34Å; Y51-F53 PolarHBondContact O-N 3.06Å; F53-I56 PolarHBondContact O-N 2.8Å; F53-K57 WeakPolarHBondContact O-CB 3.14Å; F53-K57 PolarHBondContact O-N 3.46Å; F53-F124 AromaticContact CE2-CE1 3.66Å; F53-F124 HydrophobicContact CE2-CE1 3.66Å; F53-F124 AromaticContact CE2-CZ 3.82Å; F53-F124 HydrophobicContact CE2-CZ 3.82Å; F53-F124 HydrophobicContact CZ-CE1 4.1Å; F53-F124 AromaticContact CZ-CZ 3.75Å; F53-F124 HydrophobicContact CZ-CZ 3.75Å; F53-L128 HydrophobicContact CD2-CD1 4.45Å; F53-L128 HydrophobicContact CD2-CD2 3.67Å; F53-L128 HydrophobicContact CE1-CD1 4.09Å; F53-L128 HydrophobicContact CE2-CD1 3.89Å; F53-L128 HydrophobicContact CE2-CD2 3.54Å; F53-L128 HydrophobicContact CE2-CG 4.35Å; F53-L128 HydrophobicContact CG-CD2 4.43Å; F53-L128 HydrophobicContact CZ-CD1 3.68Å; F53-L128 HydrophobicContact CZ-CD2 4.23Å
54G82.7Confident81.9Confident11 Ų1146.8 Ų46.811%0.11322%0.217CC..Hα-helixtrans-60.2-45.1175.800000111.9Y5 S50 Y51 K52 T58Y5-G54 VanDerWaalsContact CE2-CA 3.48Å; S50-G54 PolarHBondContact O-N 2.93Å; Y51-G54 WeakPolarHBondContact O-CA 3.46Å; Y51-G54 PolarHBondContact O-N 3.08Å; K52-G54 VanDerWaalsContact C-N 3.33Å; K52-G54 PolarHBondContact O-N 3.35Å; G54-T58 WeakPolarHBondContact O-CB 3.39Å; G54-T58 PolarHBondContact O-N 3.27Å; G54-T58 PolarHBondContact O-OG1 2.87Å
55I81.3Confident81.3Confident35 Ų3549.7 Ų49.718%0.17923%0.227CC..Hα-helixtrans-62.9-52.9176.4-64.5-61.4000111Y51 K52 K57 T58 V59 Y132 A135 I139Y51-I55 HydrophobicContact CE1-CG1 4.12Å; Y51-I55 HydrophobicContact CE2-CD1 4.32Å; Y51-I55 HydrophobicContact CE2-CG1 4.29Å; Y51-I55 WeakPolarHBondContact O-CG1 3.35Å; Y51-I55 PolarHBondContact O-N 2.97Å; K52-I55 PolarHBondContact O-N 2.91Å; I55-K57 VanDerWaalsContact C-N 3.3Å; I55-K57 PolarHBondContact O-N 3.35Å; I55-T58 PolarHBondContact O-N 2.97Å; I55-T58 VanDerWaalsContact O-N 3.16Å; I55-V59 WeakPolarHBondContact O-CG2 3.29Å; I55-V59 PolarHBondContact O-N 3.37Å; I55-Y132 HydrophobicContact CB-CD2 4.23Å; I55-Y132 HydrophobicContact CB-CE2 3.95Å; I55-Y132 HydrophobicContact CG1-CE2 4.05Å; I55-Y132 HydrophobicContact CG2-CD2 4.19Å; I55-Y132 HydrophobicContact CG2-CE2 3.91Å; I55-A135 HydrophobicContact CG2-CB 4.27Å; I55-I139 HydrophobicContact CG2-CD1 3.72Å
56I82.9Confident80.4Confident0 Ų052.1 Ų52.10%024%0.24CC..Hα-helixtrans-57-44.9179.6-65.9163.8000111M1 K52 F53 V59 N60 F78 L128 F131 A135M1-I56 HydrophobicContact CE-CG2 3.73Å; M1-I56 HydrophobicContact SD-CG2 3.89Å; K52-I56 VanDerWaalsContact O-CG1 3.29Å; K52-I56 WeakPolarHBondContact O-CG1 3.37Å; K52-I56 PolarHBondContact O-N 3.18Å; F53-I56 PolarHBondContact O-N 2.8Å; I56-V59 PolarHBondContact O-N 2.88Å; I56-N60 PolarHBondContact O-N 3.35Å; I56-N60 PolarHBondContact O-ND2 3.27Å; I56-F78 HydrophobicContact CG2-CD1 4.5Å; I56-F78 HydrophobicContact CG2-CE1 3.59Å; I56-F78 HydrophobicContact CG2-CZ 3.81Å; I56-L128 HydrophobicContact CD1-CD1 3.55Å; I56-L128 HydrophobicContact CD1-CG 3.96Å; I56-F131 HydrophobicContact CD1-CB 3.96Å; I56-A135 HydrophobicContact CG1-CB 4.01Å
57K83.6Confident79.1Confident47 Ų4758.9 Ų58.920%0.20427%0.271CS..Hα-helixtrans-59-50177.1171.1-179.6161.2158.10111.5M1 D2 Y5 F53 I55 V59 N60 Y61M1-K57 HydrophobicContact CG-CB 4.43Å; M1-K57 HydrophobicContact SD-CB 3.98Å; D2-K57 WeakPolarHBondContact OD1-CD 3.19Å; D2-K57 WeakPolarHBondContact OD1-CE 3.49Å; D2-K57 IonicContact OD1-NZ 2.78Å; D2-K57 PolarHBondContact OD1-NZ 3.35Å; Y5-K57 HydrophobicContact CD1-CD 4.11Å; Y5-K57 HydrophobicContact CG-CD 4.27Å; F53-K57 WeakPolarHBondContact O-CB 3.14Å; F53-K57 PolarHBondContact O-N 3.46Å; I55-K57 VanDerWaalsContact C-N 3.3Å; I55-K57 PolarHBondContact O-N 3.35Å; K57-V59 VanDerWaalsContact C-N 3.3Å; K57-V59 PolarHBondContact O-N 3.2Å; K57-N60 PolarHBondContact O-N 3.22Å; K57-Y61 WeakPolarHBondContact O-CB 3.28Å; K57-Y61 PolarHBondContact O-N 2.84Å
58T80Confident77.9Confident91 Ų9155.9 Ų55.956%0.55827%0.271SS*.Hα-helixtrans-61.1-41.5-177.5-650000111.5G54 I55 Y61 F62G54-T58 WeakPolarHBondContact O-CB 3.39Å; G54-T58 PolarHBondContact O-N 3.27Å; G54-T58 PolarHBondContact O-OG1 2.87Å; I55-T58 PolarHBondContact O-N 2.97Å; I55-T58 VanDerWaalsContact O-N 3.16Å; T58-Y61 PolarHBondContact O-N 2.66Å; T58-F62 WeakPolarHBondContact O-CB 3.43Å; T58-F62 PolarHBondContact O-N 2.77Å
59V79.6Confident76.5Confident3 Ų351.6 Ų51.62%0.01826%0.256CS..Hα-helixtrans-65.6-47.6178.4177.10000111.4I55 I56 K57 Y61 F62 I63 F74 A135 Q138 I139I55-V59 WeakPolarHBondContact O-CG2 3.29Å; I55-V59 PolarHBondContact O-N 3.37Å; I56-V59 PolarHBondContact O-N 2.88Å; K57-V59 VanDerWaalsContact C-N 3.3Å; K57-V59 PolarHBondContact O-N 3.2Å; V59-Y61 VanDerWaalsContact C-N 3.33Å; V59-Y61 PolarHBondContact O-N 3.18Å; V59-F62 WeakPolarHBondContact O-CB 3.49Å; V59-F62 PolarHBondContact O-N 2.9Å; V59-F62 VanDerWaalsContact O-N 3.1Å; V59-I63 HydrophobicContact CG1-CD1 3.83Å; V59-I63 HydrophobicContact CG1-CG1 4.49Å; V59-I63 WeakPolarHBondContact O-CG1 3.39Å; V59-I63 PolarHBondContact O-N 3.02Å; V59-F74 HydrophobicContact CG1-CE2 4.06Å; V59-A135 HydrophobicContact CB-CB 4.28Å; V59-A135 HydrophobicContact CG2-CB 4.08Å; V59-Q138 HydrophobicContact CG1-CB 3.88Å; V59-I139 HydrophobicContact CG2-CD1 3.51Å; V59-I139 HydrophobicContact CG2-CG1 3.34Å
60N77.8Confident74.9Confident26 Ų2655.9 Ų55.914%0.13927%0.274CS..Hα-helixtrans-58.2-46.1176.5-77.5-34.7000111.6I56 K57 F62 I63 D64 F74 F78I56-N60 PolarHBondContact O-N 3.35Å; I56-N60 PolarHBondContact O-ND2 3.27Å; K57-N60 PolarHBondContact O-N 3.22Å; N60-F62 VanDerWaalsContact C-N 3.3Å; N60-F62 PolarHBondContact O-N 3.24Å; N60-I63 PolarHBondContact O-N 2.74Å; N60-D64 WeakPolarHBondContact O-CB 3.4Å; N60-D64 PolarHBondContact O-N 2.94Å; N60-F74 WeakPolarHBondContact OD1-CD2 3.4Å; N60-F78 WeakPolarHBondContact ND2-CE2 3.42Å
61Y78.2Confident73.2Confident164 Ų16465 Ų6564%0.64331%0.312SS*.Hα-helixtrans-59.8-41175.9-177.4-95.7000111.9K57 T58 V59 N65K57-Y61 WeakPolarHBondContact O-CB 3.28Å; K57-Y61 PolarHBondContact O-N 2.84Å; T58-Y61 PolarHBondContact O-N 2.66Å; V59-Y61 VanDerWaalsContact C-N 3.33Å; V59-Y61 PolarHBondContact O-N 3.18Å; Y61-N65 WeakPolarHBondContact CD2-ND2 3.49Å; Y61-N65 VanDerWaalsContact CE1-ND2 3.3Å; Y61-N65 WeakPolarHBondContact CE1-ND2 3.4Å; Y61-N65 WeakPolarHBondContact CE2-ND2 3.41Å; Y61-N65 WeakPolarHBondContact O-CB 3.33Å; Y61-N65 PolarHBondContact O-N 3.38Å; Y61-N65 PolarHBondContact O-ND2 3.15Å
62F73.4Confident71.6Confident68 Ų6864.2 Ų64.230%0.29832%0.315SS..Hα-helixtrans-66-40.5178.6-170.5-93.4000112.3T58 V59 N60 N66 F69 I142 F146T58-F62 WeakPolarHBondContact O-CB 3.43Å; T58-F62 PolarHBondContact O-N 2.77Å; V59-F62 WeakPolarHBondContact O-CB 3.49Å; V59-F62 PolarHBondContact O-N 2.9Å; V59-F62 VanDerWaalsContact O-N 3.1Å; N60-F62 VanDerWaalsContact C-N 3.3Å; N60-F62 PolarHBondContact O-N 3.24Å; F62-N66 WeakPolarHBondContact CD2-ND2 3.17Å; F62-N66 WeakPolarHBondContact CE1-ND2 3.5Å; F62-N66 VanDerWaalsContact CE2-ND2 3.33Å; F62-N66 WeakPolarHBondContact CE2-ND2 3.47Å; F62-N66 VanDerWaalsContact CZ-ND2 3.33Å; F62-N66 WeakPolarHBondContact CZ-ND2 3.43Å; F62-N66 VanDerWaalsContact O-CB 3.3Å; F62-N66 WeakPolarHBondContact O-CB 3.49Å; F62-N66 PolarHBondContact O-N 3.01Å; F62-N66 VanDerWaalsContact O-N 3.17Å; F62-N66 PolarHBondContact O-ND2 3.43Å; F62-F69 HydrophobicContact CD1-CD2 4.43Å; F62-F69 HydrophobicContact CD1-CE2 4.49Å; F62-F69 AromaticContact CE1-CD2 3.95Å; F62-F69 HydrophobicContact CE1-CD2 3.95Å; F62-F69 AromaticContact CE1-CE2 3.6Å; F62-F69 HydrophobicContact CE1-CE2 3.6Å; F62-F69 HydrophobicContact CE1-CZ 4.25Å; F62-F69 HydrophobicContact CZ-CE2 4.33Å; F62-I142 HydrophobicContact CD1-CD1 3.57Å; F62-I142 HydrophobicContact CD1-CG1 4.3Å; F62-I142 HydrophobicContact CD1-CG2 4.25Å; F62-I142 HydrophobicContact CE1-CB 4.46Å; F62-I142 HydrophobicContact CE1-CD1 3.85Å; F62-I142 HydrophobicContact CE1-CG1 4.07Å; F62-I142 HydrophobicContact CE1-CG2 3.51Å; F62-I142 HydrophobicContact CZ-CG2 3.91Å; F62-F146 HydrophobicContact CE1-CE2 4.06Å; F62-F146 AromaticContact CZ-CE2 3.68Å; F62-F146 HydrophobicContact CZ-CE2 3.68Å; F62-F146 HydrophobicContact CZ-CZ 4.22Å
63I73.2Confident70.1Confident5 Ų567.8 Ų67.83%0.02633%0.332CS..Hα-helixtrans-69.3-45.1179.7-70.3172.4000111.5V59 N60 N65 N66 F69 Q73 F74 Q138V59-I63 HydrophobicContact CG1-CD1 3.83Å; V59-I63 HydrophobicContact CG1-CG1 4.49Å; V59-I63 WeakPolarHBondContact O-CG1 3.39Å; V59-I63 PolarHBondContact O-N 3.02Å; N60-I63 PolarHBondContact O-N 2.74Å; I63-N65 VanDerWaalsContact C-N 3.27Å; I63-N65 PolarHBondContact O-N 2.91Å; I63-N66 PolarHBondContact O-N 3.16Å; I63-N66 VanDerWaalsContact O-O 3.12Å; I63-F69 HydrophobicContact CG1-CB 4.24Å; I63-F69 HydrophobicContact CG2-CB 4.42Å; I63-Q73 HydrophobicContact CG2-CG 4.2Å; I63-F74 HydrophobicContact CD1-CD2 4.45Å; I63-Q138 VanDerWaalsContact CD1-CD 3.49Å
64D70.6Confident68.8Low85 Ų8569 Ų6946%0.45534%0.338SS..Hα-helixtrans-63.8-35.6-177.4-75-26.2000112.3N60 Q73N60-D64 WeakPolarHBondContact O-CB 3.4Å; N60-D64 PolarHBondContact O-N 2.94Å; D64-Q73 PolarHBondContact OD1-NE2 3.21Å
65N69.1Low67.6Low87 Ų8776 Ų7647%0.46537%0.372SS..Hα-helixtrans-84.1-16.7179.2-68.9-58000114Y61 I63Y61-N65 WeakPolarHBondContact CD2-ND2 3.49Å; Y61-N65 VanDerWaalsContact CE1-ND2 3.3Å; Y61-N65 WeakPolarHBondContact CE1-ND2 3.4Å; Y61-N65 WeakPolarHBondContact CE2-ND2 3.41Å; Y61-N65 WeakPolarHBondContact O-CB 3.33Å; Y61-N65 PolarHBondContact O-N 3.38Å; Y61-N65 PolarHBondContact O-ND2 3.15Å; I63-N65 VanDerWaalsContact C-N 3.27Å; I63-N65 PolarHBondContact O-N 2.91Å
66N64.3Low66.7Low52 Ų5277 Ų7728%0.27838%0.378SS..  trans-110.6102.7-180-72.3-64.3000111.3F62 I63 V68 F69F62-N66 WeakPolarHBondContact CD2-ND2 3.17Å; F62-N66 WeakPolarHBondContact CE1-ND2 3.5Å; F62-N66 VanDerWaalsContact CE2-ND2 3.33Å; F62-N66 WeakPolarHBondContact CE2-ND2 3.47Å; F62-N66 VanDerWaalsContact CZ-ND2 3.33Å; F62-N66 WeakPolarHBondContact CZ-ND2 3.43Å; F62-N66 VanDerWaalsContact O-CB 3.3Å; F62-N66 WeakPolarHBondContact O-CB 3.49Å; F62-N66 PolarHBondContact O-N 3.01Å; F62-N66 VanDerWaalsContact O-N 3.17Å; F62-N66 PolarHBondContact O-ND2 3.43Å; I63-N66 PolarHBondContact O-N 3.16Å; I63-N66 VanDerWaalsContact O-O 3.12Å; N66-V68 PolarHBondContact O-N 3.4Å; N66-F69 HydrophobicContact CB-CD2 3.66Å; N66-F69 HydrophobicContact CB-CE2 4.2Å; N66-F69 PolarHBondContact O-N 3.08Å
67H60.2Low66.1Low148 Ų14881.8 Ų81.869%0.68540%0.404SS*.G310 helixtrans-52.9-27.5179.8-69-83.3000114.6F69 K70H67-F69 VanDerWaalsContact C-N 3.26Å; H67-F69 PolarHBondContact O-N 3.4Å; H67-K70 PolarHBondContact O-N 2.78Å
68V61.8Low65.9Low106 Ų10680.7 Ų80.764%0.64240%0.399SS*.G310 helixtrans-62.1-33.6179.6-177.80000112N66N66-V68 PolarHBondContact O-N 3.4Å
69F57Low66Low15 Ų1580.9 Ų80.97%0.06640%0.4CS..G310 helixtrans-98.3-1.7-174.5-59.3-78.5000113.8F62 I63 N66 H67 K71 D72 I142 F146F62-F69 HydrophobicContact CD1-CD2 4.43Å; F62-F69 HydrophobicContact CD1-CE2 4.49Å; F62-F69 AromaticContact CE1-CD2 3.95Å; F62-F69 HydrophobicContact CE1-CD2 3.95Å; F62-F69 AromaticContact CE1-CE2 3.6Å; F62-F69 HydrophobicContact CE1-CE2 3.6Å; F62-F69 HydrophobicContact CE1-CZ 4.25Å; F62-F69 HydrophobicContact CZ-CE2 4.33Å; I63-F69 HydrophobicContact CG1-CB 4.24Å; I63-F69 HydrophobicContact CG2-CB 4.42Å; N66-F69 HydrophobicContact CB-CD2 3.66Å; N66-F69 HydrophobicContact CB-CE2 4.2Å; N66-F69 PolarHBondContact O-N 3.08Å; H67-F69 VanDerWaalsContact C-N 3.26Å; H67-F69 PolarHBondContact O-N 3.4Å; F69-K71 PolarHBondContact O-N 2.87Å; F69-D72 PolarHBondContact O-N 3.45Å; F69-I142 HydrophobicContact CD1-CG1 4Å; F69-I142 HydrophobicContact CE1-CB 4.42Å; F69-I142 HydrophobicContact CE1-CG1 3.63Å; F69-I142 HydrophobicContact CE2-CG1 4.48Å; F69-I142 HydrophobicContact CZ-CB 4.45Å; F69-I142 HydrophobicContact CZ-CG1 3.92Å; F69-I142 HydrophobicContact CZ-CG2 4.33Å; F69-F146 AromaticContact CE2-CE2 3.79Å; F69-F146 HydrophobicContact CE2-CE2 3.79Å; F69-F146 HydrophobicContact CE2-CZ 4.06Å; F69-F146 HydrophobicContact CZ-CD2 4.43Å; F69-F146 AromaticContact CZ-CE2 3.62Å; F69-F146 HydrophobicContact CZ-CE2 3.62Å; F69-F146 HydrophobicContact CZ-CZ 4.15Å
70K55Low66.3Low89 Ų8985.4 Ų85.439%0.38742%0.424SS..G310 helixtrans-58.6-20.7-176.3-77.2-170.7179.6-167.20114.3H67 D72 Q73H67-K70 PolarHBondContact O-N 2.78Å; K70-D72 VanDerWaalsContact C-N 3.27Å; K70-D72 PolarHBondContact O-N 2.89Å; K70-Q73 PolarHBondContact O-N 3.32Å
71K50.2Low66.7Low204 Ų20484.6 Ų84.689%0.88742%0.42SS*.G310 helixtrans-65.9-29.4176.9-86.8-173.6173.8-178.70113.2F69F69-K71 PolarHBondContact O-N 2.87Å
72D52.2Low67.2Low91 Ų9178.3 Ų78.349%0.48740%0.397SS..G310 helixtrans-104.133.5-179.4-57.3-32000110.9F69 K70 F74 Q138F69-D72 PolarHBondContact O-N 3.45Å; K70-D72 VanDerWaalsContact C-N 3.27Å; K70-D72 PolarHBondContact O-N 2.89Å; D72-F74 PolarHBondContact O-N 2.89Å; D72-Q138 PolarHBondContact O-NE2 3.04Å; D72-Q138 VanDerWaalsContact O-NE2 3.13Å
73Q53.5Low68Low96 Ų9677.6 Ų77.645%0.44940%0.401SS..  trans-53.1131.4175.9-108.8-175.7-14.600109.4I63 D64 K70 N75I63-Q73 HydrophobicContact CG2-CG 4.2Å; D64-Q73 PolarHBondContact OD1-NE2 3.21Å; K70-Q73 PolarHBondContact O-N 3.32Å; Q73-N75 PolarHBondContact O-N 2.88Å
74F58.4Low68.8Low26 Ų2681.6 Ų81.611%0.11442%0.419CS..  trans-56.892.5165-91.3-72000108.6V59 N60 I63 D72 L76 F78 I134 A135 Q138V59-F74 HydrophobicContact CG1-CE2 4.06Å; N60-F74 WeakPolarHBondContact OD1-CD2 3.4Å; I63-F74 HydrophobicContact CD1-CD2 4.45Å; D72-F74 PolarHBondContact O-N 2.89Å; F74-L76 HydrophobicContact CB-CB 4.36Å; F74-L76 HydrophobicContact CD1-CB 4.02Å; F74-L76 HydrophobicContact CD1-CD1 3.23Å; F74-L76 HydrophobicContact CD1-CG 3.71Å; F74-L76 HydrophobicContact CE1-CD1 3.33Å; F74-L76 HydrophobicContact CE1-CG 4.3Å; F74-L76 HydrophobicContact CG-CD1 4.46Å; F74-L76 PolarHBondContact O-N 3.36Å; F74-F78 HydrophobicContact CB-CE2 4.17Å; F74-F78 HydrophobicContact CD1-CZ 4.41Å; F74-F78 HydrophobicContact CG-CE2 4.5Å; F74-F78 HydrophobicContact CG-CZ 4.42Å; F74-I134 HydrophobicContact CD1-CG2 4.01Å; F74-I134 HydrophobicContact CE1-CB 3.49Å; F74-I134 VanDerWaalsContact CE1-CB 3.49Å; F74-I134 HydrophobicContact CE1-CD1 4.24Å; F74-I134 HydrophobicContact CE1-CG1 4.48Å; F74-I134 HydrophobicContact CE1-CG2 3.13Å; F74-I134 HydrophobicContact CE2-CG2 4.36Å; F74-I134 HydrophobicContact CZ-CB 3.69Å; F74-I134 HydrophobicContact CZ-CG2 3.35Å; F74-A135 HydrophobicContact CE2-CB 4.34Å; F74-A135 HydrophobicContact CZ-CB 4.06Å; F74-Q138 VanDerWaalsContact CE2-CD 3.5Å
75N57.1Low69.9Low157 Ų15777.6 Ų77.684%0.8440%0.398SS*.  trans-70.132.7162.7-92.7-16.5000110.8Q73Q73-N75 PolarHBondContact O-N 2.88Å
76L63.6Low71Confident56 Ų5677.1 Ų77.129%0.29339%0.393SS..  trans-92.3116.6177.6-76.9-176.7000108.2F74 F78 F131 I134F74-L76 HydrophobicContact CB-CB 4.36Å; F74-L76 HydrophobicContact CD1-CB 4.02Å; F74-L76 HydrophobicContact CD1-CD1 3.23Å; F74-L76 HydrophobicContact CD1-CG 3.71Å; F74-L76 HydrophobicContact CE1-CD1 3.33Å; F74-L76 HydrophobicContact CE1-CG 4.3Å; F74-L76 HydrophobicContact CG-CD1 4.46Å; F74-L76 PolarHBondContact O-N 3.36Å; L76-F78 VanDerWaalsContact C-N 3.34Å; L76-F78 HydrophobicContact CB-CE2 4.06Å; L76-F78 HydrophobicContact CB-CZ 4.12Å; L76-F78 WeakPolarHBondContact O-CD2 3.48Å; L76-F78 PolarHBondContact O-N 3.34Å; L76-F131 HydrophobicContact CB-CD1 3.93Å; L76-F131 HydrophobicContact CB-CE1 3.78Å; L76-F131 HydrophobicContact CD1-CD1 3.34Å; L76-F131 HydrophobicContact CD1-CE1 3.76Å; L76-F131 HydrophobicContact CD1-CG 4.13Å; L76-F131 HydrophobicContact CD2-CD1 4.37Å; L76-F131 HydrophobicContact CD2-CE1 3.92Å; L76-F131 HydrophobicContact CG-CD1 4.08Å; L76-F131 HydrophobicContact CG-CE1 4.03Å; L76-I134 HydrophobicContact CD1-CD1 3.79Å
77N69Low72.4Confident101 Ų10178.5 Ų78.554%0.5441%0.406SS..  trans-71.991175.2-174.9-2.6000109.9T79N77-T79 PolarHBondContact O-N 3.37Å; N77-T79 WeakPolarHBondContact OD1-CB 3.22Å; N77-T79 PolarHBondContact OD1-N 3Å; N77-T79 PolarHBondContact OD1-OG1 3.21Å
78F80.5Confident74Confident24 Ų2472.5 Ų72.511%0.10538%0.378CS..THydrogen-bonded Turntrans-70.3-11176.2-67.9-75.9000113.6M1 I56 N60 F74 L76 N80 L81 I82 F131M1-F78 HydrophobicContact CE-CB 3.93Å; M1-F78 HydrophobicContact CE-CD1 3.31Å; M1-F78 HydrophobicContact CE-CD2 3.88Å; M1-F78 HydrophobicContact CE-CE1 3.65Å; M1-F78 HydrophobicContact CE-CE2 4.2Å; M1-F78 HydrophobicContact CE-CG 3.42Å; M1-F78 VanDerWaalsContact CE-CG 3.42Å; M1-F78 HydrophobicContact CE-CZ 4.1Å; I56-F78 HydrophobicContact CG2-CD1 4.5Å; I56-F78 HydrophobicContact CG2-CE1 3.59Å; I56-F78 HydrophobicContact CG2-CZ 3.81Å; N60-F78 WeakPolarHBondContact ND2-CE2 3.42Å; F74-F78 HydrophobicContact CB-CE2 4.17Å; F74-F78 HydrophobicContact CD1-CZ 4.41Å; F74-F78 HydrophobicContact CG-CE2 4.5Å; F74-F78 HydrophobicContact CG-CZ 4.42Å; L76-F78 VanDerWaalsContact C-N 3.34Å; L76-F78 HydrophobicContact CB-CE2 4.06Å; L76-F78 HydrophobicContact CB-CZ 4.12Å; L76-F78 WeakPolarHBondContact O-CD2 3.48Å; L76-F78 PolarHBondContact O-N 3.34Å; F78-N80 VanDerWaalsContact C-N 3.26Å; F78-N80 PolarHBondContact O-N 2.65Å; F78-L81 HydrophobicContact CD1-CD1 4.11Å; F78-L81 PolarHBondContact O-N 3.23Å; F78-L81 VanDerWaalsContact O-N 3.13Å; F78-I82 HydrophobicContact CB-CD1 3.91Å; F78-I82 HydrophobicContact CB-CG1 4.41Å; F78-I82 WeakPolarHBondContact O-CB 3.37Å; F78-I82 WeakPolarHBondContact O-CD1 3.37Å; F78-I82 VanDerWaalsContact O-CG1 3.25Å; F78-I82 WeakPolarHBondContact O-CG1 3.42Å; F78-I82 PolarHBondContact O-N 3.47Å; F78-F131 AromaticContact CD1-CD1 3.92Å; F78-F131 HydrophobicContact CD1-CD1 3.92Å; F78-F131 HydrophobicContact CD1-CE1 4.35Å; F78-F131 HydrophobicContact CE1-CB 4.11Å; F78-F131 AromaticContact CE1-CD1 3.43Å; F78-F131 HydrophobicContact CE1-CD1 3.43Å; F78-F131 VanDerWaalsContact CE1-CD1 3.43Å; F78-F131 HydrophobicContact CE1-CE1 4.24Å; F78-F131 HydrophobicContact CE1-CG 4.13Å; F78-F131 HydrophobicContact CZ-CD1 4.07Å
79T82.4Confident75.4Confident95 Ų9567.6 Ų67.658%0.58335%0.349SS*.Hα-helixtrans-58.1-41.1-174-440000111.4N77 I82 S83N77-T79 PolarHBondContact O-N 3.37Å; N77-T79 WeakPolarHBondContact OD1-CB 3.22Å; N77-T79 PolarHBondContact OD1-N 3Å; N77-T79 PolarHBondContact OD1-OG1 3.21Å; T79-I82 PolarHBondContact O-N 3.27Å; T79-S83 WeakPolarHBondContact O-CB 3.32Å; T79-S83 PolarHBondContact O-N 3.01Å; T79-S83 PolarHBondContact O-OG 3.46Å
80N85.5Confident77Confident99 Ų9973.5 Ų73.553%0.52937%0.374SS..Hα-helixtrans-68.1-42.1178-70.1-9.5000112.2F78 S83 Q84F78-N80 VanDerWaalsContact C-N 3.26Å; F78-N80 PolarHBondContact O-N 2.65Å; N80-S83 PolarHBondContact O-N 3.37Å; N80-S83 PolarHBondContact O-OG 3.48Å; N80-Q84 VanDerWaalsContact O-CB 3.32Å; N80-Q84 WeakPolarHBondContact O-CB 3.47Å; N80-Q84 WeakPolarHBondContact O-CG 3.11Å; N80-Q84 PolarHBondContact O-N 3.24Å
81L86.3Confident78.8Confident8 Ų872.8 Ų72.84%0.04237%0.373CS..Hα-helixtrans-64.3-41.5175.8-86169.8000112F78 G85 F124 H127 L128 F131F78-L81 HydrophobicContact CD1-CD1 4.11Å; F78-L81 PolarHBondContact O-N 3.23Å; F78-L81 VanDerWaalsContact O-N 3.13Å; L81-G85 PolarHBondContact O-N 2.86Å; L81-F124 HydrophobicContact CD2-CD2 4.47Å; L81-F124 HydrophobicContact CD2-CE2 3.85Å; L81-F124 HydrophobicContact CD2-CZ 4.49Å; L81-F124 WeakPolarHBondContact O-CE2 3.35Å; L81-F124 WeakPolarHBondContact O-CZ 3.21Å; L81-H127 HydrophobicContact CD2-CB 4.37Å; L81-L128 HydrophobicContact CD1-CD1 4.19Å; L81-L128 HydrophobicContact CD2-CD1 4.37Å; L81-F131 HydrophobicContact CD1-CD1 3.67Å; L81-F131 HydrophobicContact CD1-CD2 3.5Å; L81-F131 HydrophobicContact CD1-CE1 3.56Å; L81-F131 HydrophobicContact CD1-CE2 3.42Å; L81-F131 VanDerWaalsContact CD1-CE2 3.42Å; L81-F131 HydrophobicContact CD1-CG 3.65Å; L81-F131 HydrophobicContact CD1-CZ 3.44Å; L81-F131 VanDerWaalsContact CD1-CZ 3.44Å; L81-F131 HydrophobicContact CG-CE2 4.23Å; L81-F131 HydrophobicContact CG-CZ 4.25Å
82I88.3Confident80.8Confident32 Ų3263.1 Ų63.116%0.16433%0.33CS..Hα-helixtrans-66-45.4-179.9-66.9162.2000109.9M1 F78 T79 G85 Q86M1-I82 HydrophobicContact CB-CD1 4.08Å; F78-I82 HydrophobicContact CB-CD1 3.91Å; F78-I82 HydrophobicContact CB-CG1 4.41Å; F78-I82 WeakPolarHBondContact O-CB 3.37Å; F78-I82 WeakPolarHBondContact O-CD1 3.37Å; F78-I82 VanDerWaalsContact O-CG1 3.25Å; F78-I82 WeakPolarHBondContact O-CG1 3.42Å; F78-I82 PolarHBondContact O-N 3.47Å; T79-I82 PolarHBondContact O-N 3.27Å; I82-G85 PolarHBondContact O-N 2.97Å; I82-Q86 WeakPolarHBondContact O-CB 3.45Å; I82-Q86 VanDerWaalsContact O-CG 3.31Å; I82-Q86 WeakPolarHBondContact O-CG 3.18Å; I82-Q86 PolarHBondContact O-N 3.48Å
83S89.7Confident82.5Confident54 Ų5462.2 Ų62.238%0.37832%0.321SS..Hα-helixtrans-65.8-41.8179.365.20000111.9T79 N80 Q86 C87T79-S83 WeakPolarHBondContact O-CB 3.32Å; T79-S83 PolarHBondContact O-N 3.01Å; T79-S83 PolarHBondContact O-OG 3.46Å; N80-S83 PolarHBondContact O-N 3.37Å; N80-S83 PolarHBondContact O-OG 3.48Å; S83-Q86 PolarHBondContact O-N 2.72Å; S83-C87 WeakPolarHBondContact O-CB 3.25Å; S83-C87 PolarHBondContact O-N 2.97Å
84Q91.1Very high84.1Confident89 Ų8961.8 Ų61.842%0.41632%0.322SS..Hα-helixtrans-60.1-48.6173.1-74.8173.70.400111.7N80 Q86 C87 L88 F124N80-Q84 VanDerWaalsContact O-CB 3.32Å; N80-Q84 WeakPolarHBondContact O-CB 3.47Å; N80-Q84 WeakPolarHBondContact O-CG 3.11Å; N80-Q84 PolarHBondContact O-N 3.24Å; Q84-Q86 VanDerWaalsContact C-N 3.34Å; Q84-Q86 PolarHBondContact O-N 3.11Å; Q84-C87 PolarHBondContact O-N 3.03Å; Q84-L88 WeakPolarHBondContact O-CG 3.46Å; Q84-L88 PolarHBondContact O-N 3.49Å; Q84-F124 HydrophobicContact CB-CD2 4.21Å; Q84-F124 HydrophobicContact CB-CE2 3.93Å
85G92Very high85.5Confident1 Ų163.1 Ų63.11%0.0133%0.328CS..Hα-helixtrans-61.2-39.9178.600000113L81 I82 L88 L89 F124L81-G85 PolarHBondContact O-N 2.86Å; I82-G85 PolarHBondContact O-N 2.97Å; G85-L88 PolarHBondContact O-N 3.23Å; G85-L89 PolarHBondContact O-N 2.94Å; G85-F124 VanDerWaalsContact CA-CZ 3.43Å
86Q92.7Very high87Confident77 Ų7755.7 Ų55.736%0.3629%0.288SS..Hα-helixtrans-66.1-42.5175.2-75.3177.4-19.300112.3L4 I82 S83 Q84 L88 L89 K90L4-Q86 HydrophobicContact CD1-CG 4.28Å; I82-Q86 WeakPolarHBondContact O-CB 3.45Å; I82-Q86 VanDerWaalsContact O-CG 3.31Å; I82-Q86 WeakPolarHBondContact O-CG 3.18Å; I82-Q86 PolarHBondContact O-N 3.48Å; S83-Q86 PolarHBondContact O-N 2.72Å; Q84-Q86 VanDerWaalsContact C-N 3.34Å; Q84-Q86 PolarHBondContact O-N 3.11Å; Q86-L88 VanDerWaalsContact C-N 3.33Å; Q86-L88 PolarHBondContact O-N 2.92Å; Q86-L89 PolarHBondContact O-N 3.45Å; Q86-K90 WeakPolarHBondContact O-CB 3Å; Q86-K90 PolarHBondContact O-N 3.21Å
87C93.1Very high88.1Confident80 Ų8053.5 Ų53.554%0.54128%0.278SS..Hα-helixtrans-60.6-42.5174.2-850000111.8S83 Q84 K90 Q91S83-C87 WeakPolarHBondContact O-CB 3.25Å; S83-C87 PolarHBondContact O-N 2.97Å; Q84-C87 PolarHBondContact O-N 3.03Å; C87-K90 PolarHBondContact O-N 3.4Å; C87-Q91 WeakPolarHBondContact O-CG 3.29Å; C87-Q91 PolarHBondContact O-N 3.49Å
88L94Very high88.7Confident22 Ų2248.8 Ų48.812%0.11525%0.253CS..Hα-helixtrans-67.6-42.5178.3-73174.6000112.6Q84 G85 Q86 K90 Q91 L92 K120 F121 F124Q84-L88 WeakPolarHBondContact O-CG 3.46Å; Q84-L88 PolarHBondContact O-N 3.49Å; G85-L88 PolarHBondContact O-N 3.23Å; Q86-L88 VanDerWaalsContact C-N 3.33Å; Q86-L88 PolarHBondContact O-N 2.92Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.45Å; L88-Q91 PolarHBondContact O-N 3.4Å; L88-L92 WeakPolarHBondContact O-CB 3.04Å; L88-L92 PolarHBondContact O-N 2.97Å; L88-K120 HydrophobicContact CD2-CB 3.7Å; L88-K120 HydrophobicContact CD2-CD 4.04Å; L88-K120 HydrophobicContact CD2-CG 4.43Å; L88-F121 HydrophobicContact CB-CE1 4.04Å; L88-F121 HydrophobicContact CB-CE2 4.35Å; L88-F121 HydrophobicContact CB-CZ 3.86Å; L88-F124 HydrophobicContact CD1-CB 3.47Å; L88-F124 VanDerWaalsContact CD1-CB 3.47Å; L88-F124 HydrophobicContact CD1-CD1 4.12Å; L88-F124 HydrophobicContact CD1-CD2 4Å; L88-F124 HydrophobicContact CD1-CG 3.61Å
89L92Very high88.5Confident4 Ų452.7 Ų52.72%0.02127%0.274CS..Hα-helixtrans-60.5-42.5173.5-82.4-179.5000111.9L4 Q7 L8 L11 G85 Q86 L92 Y93L4-L89 HydrophobicContact CD1-CD1 3.42Å; L4-L89 VanDerWaalsContact CD1-CD1 3.42Å; L4-L89 HydrophobicContact CD1-CG 4.23Å; Q7-L89 HydrophobicContact CB-CD1 3.68Å; L8-L89 HydrophobicContact CD2-CD2 3.83Å; L8-L89 HydrophobicContact CD2-CG 4.43Å; L8-L89 HydrophobicContact CG-CD1 4.3Å; L8-L89 HydrophobicContact CG-CD2 4.41Å; L11-L89 HydrophobicContact CD1-CD2 4.05Å; L11-L89 HydrophobicContact CD2-CD2 4.34Å; G85-L89 PolarHBondContact O-N 2.94Å; Q86-L89 PolarHBondContact O-N 3.45Å; L89-L92 HydrophobicContact CD2-CD2 4.3Å; L89-L92 WeakPolarHBondContact O-CB 3.26Å; L89-L92 PolarHBondContact O-N 2.96Å; L89-Y93 WeakPolarHBondContact O-CD2 3.46Å; L89-Y93 PolarHBondContact O-N 3.06Å
90K91.4Very high88.3Confident139 Ų13950.6 Ų50.660%0.60426%0.259SS*.Hα-helixtrans-60.5-47.3175.6-175.2177.6177.9-178.10111.1Q86 C87 L88 L92 Y93 D94Q86-K90 WeakPolarHBondContact O-CB 3Å; Q86-K90 PolarHBondContact O-N 3.21Å; C87-K90 PolarHBondContact O-N 3.4Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.45Å; K90-L92 VanDerWaalsContact C-N 3.28Å; K90-L92 PolarHBondContact O-N 2.97Å; K90-Y93 PolarHBondContact O-N 3.17Å; K90-D94 WeakPolarHBondContact O-CB 3.23Å; K90-D94 PolarHBondContact O-N 3.41Å
91Q91.6Very high88.1Confident74 Ų7445.9 Ų45.935%0.34623%0.234SC..Hα-helixtrans-58.3-40.3174.8-73.7-179.47.200112.1C87 L88 D94 Q95C87-Q91 WeakPolarHBondContact O-CG 3.29Å; C87-Q91 PolarHBondContact O-N 3.49Å; L88-Q91 PolarHBondContact O-N 3.4Å; Q91-D94 PolarHBondContact O-N 3.39Å; Q91-Q95 WeakPolarHBondContact O-CB 3.34Å; Q91-Q95 WeakPolarHBondContact O-CG 3.5Å; Q91-Q95 PolarHBondContact O-N 3.42Å
92L92Very high87.6Confident0 Ų046.9 Ų46.90%024%0.241CC..Hα-helixtrans-60.8-47.7176.1-175.871.5000111.4L11 I36 L42 L46 L88 L89 K90 Q95 C96 I117 F121L11-L92 HydrophobicContact CD1-CD2 4.27Å; I36-L92 HydrophobicContact CD1-CD2 3.49Å; I36-L92 VanDerWaalsContact CD1-CD2 3.49Å; I36-L92 HydrophobicContact CD1-CG 3.78Å; I36-L92 HydrophobicContact CG2-CD1 3.92Å; I36-L92 HydrophobicContact CG2-CD2 4.09Å; I36-L92 HydrophobicContact CG2-CG 3.77Å; L42-L92 HydrophobicContact CD2-CD1 3.92Å; L46-L92 HydrophobicContact CD1-CD2 4.02Å; L46-L92 HydrophobicContact CD2-CD2 4.07Å; L88-L92 WeakPolarHBondContact O-CB 3.04Å; L88-L92 PolarHBondContact O-N 2.97Å; L89-L92 HydrophobicContact CD2-CD2 4.3Å; L89-L92 WeakPolarHBondContact O-CB 3.26Å; L89-L92 PolarHBondContact O-N 2.96Å; K90-L92 VanDerWaalsContact C-N 3.28Å; K90-L92 PolarHBondContact O-N 2.97Å; L92-Q95 PolarHBondContact O-N 3.07Å; L92-C96 HydrophobicContact CD1-CB 4.1Å; L92-C96 WeakPolarHBondContact O-CA 3.5Å; L92-C96 WeakPolarHBondContact O-CB 3.37Å; L92-C96 PolarHBondContact O-N 3.01Å; L92-I117 HydrophobicContact CD1-CG2 3.7Å; L92-F121 HydrophobicContact CB-CE2 3.99Å; L92-F121 HydrophobicContact CB-CZ 4.09Å; L92-F121 HydrophobicContact CD1-CE2 4.06Å; L92-F121 HydrophobicContact CD2-CE2 4.24Å; L92-F121 HydrophobicContact CD2-CZ 4.05Å; L92-F121 HydrophobicContact CG-CE2 4.32Å
93Y89.2Confident87Confident73 Ų7351.9 Ų51.929%0.28626%0.261SS..Hα-helixtrans-64.2-42.5175.7-80.8-72.1000112.3L11 I36 L89 K90 Q95 S97L11-Y93 HydrophobicContact CD2-CE2 4.02Å; L11-Y93 WeakPolarHBondContact CD2-OH 3.49Å; I36-Y93 HydrophobicContact CD1-CD1 3.83Å; I36-Y93 HydrophobicContact CD1-CD2 4.33Å; I36-Y93 HydrophobicContact CD1-CE1 3.62Å; I36-Y93 HydrophobicContact CD1-CE2 4.13Å; I36-Y93 HydrophobicContact CD1-CG 4.18Å; I36-Y93 HydrophobicContact CG1-CD1 3.96Å; I36-Y93 HydrophobicContact CG1-CE1 3.78Å; L89-Y93 WeakPolarHBondContact O-CD2 3.46Å; L89-Y93 PolarHBondContact O-N 3.06Å; K90-Y93 PolarHBondContact O-N 3.17Å; Y93-Q95 VanDerWaalsContact C-N 3.28Å; Y93-Q95 PolarHBondContact O-N 3.27Å; Y93-S97 WeakPolarHBondContact O-CB 3.43Å; Y93-S97 PolarHBondContact O-N 3.26Å; Y93-S97 PolarHBondContact O-OG 2.94Å
94D86.8Confident86.2Confident87 Ų8751.2 Ų51.247%0.46525%0.252SS..Hα-helixtrans-67.4-27.6-178.4-70.3-16.7000112.2K90 Q91 N100K90-D94 WeakPolarHBondContact O-CB 3.23Å; K90-D94 PolarHBondContact O-N 3.41Å; Q91-D94 PolarHBondContact O-N 3.39Å; D94-N100 PolarHBondContact O-ND2 3.49Å
95Q87.6Confident85.4Confident54 Ų5448.7 Ų48.725%0.25224%0.241SC..Hα-helixtrans-106.3-36.5-177-65.6-175.8-33.300113.3Q91 L92 Y93 I117Q91-Q95 WeakPolarHBondContact O-CB 3.34Å; Q91-Q95 WeakPolarHBondContact O-CG 3.5Å; Q91-Q95 PolarHBondContact O-N 3.42Å; L92-Q95 PolarHBondContact O-N 3.07Å; Y93-Q95 VanDerWaalsContact C-N 3.28Å; Y93-Q95 PolarHBondContact O-N 3.27Å; Q95-I117 HydrophobicContact CB-CD1 3.5Å; Q95-I117 HydrophobicContact CG-CD1 4.32Å
96C88.4Confident84.3Confident1 Ų156 Ų561%0.00728%0.275CS..Hα-helixtrans-105.53.2-171.8-67.80000114.8I36 I37 L92 I117I36-C96 HydrophobicContact CG2-CB 3.59Å; I37-C96 PolarHBondContact N-O 3.35Å; I37-C96 WeakPolarHBondContact O-CB 3.43Å; L92-C96 HydrophobicContact CD1-CB 4.1Å; L92-C96 WeakPolarHBondContact O-CA 3.5Å; L92-C96 WeakPolarHBondContact O-CB 3.37Å; L92-C96 PolarHBondContact O-N 3.01Å; C96-I117 WeakPolarHBondContact SG-CD1 3.49Å
97S86.3Confident83.3Confident10 Ų1059.8 Ų59.87%0.0729%0.29CS..BIsolated β-bridgetrans-64.4152.7170.256.90000111.7Y93 L99 N100 I101Y93-S97 WeakPolarHBondContact O-CB 3.43Å; Y93-S97 PolarHBondContact O-N 3.26Å; Y93-S97 PolarHBondContact O-OG 2.94Å; S97-L99 PolarHBondContact O-N 2.82Å; S97-L99 VanDerWaalsContact O-N 3.16Å; S97-N100 PolarHBondContact O-N 2.88Å; S97-N100 PolarHBondContact OG-ND2 3.41Å; S97-I101 VanDerWaalsContact O-CG1 3.27Å; S97-I101 WeakPolarHBondContact O-CG1 3.29Å; S97-I101 PolarHBondContact O-N 2.83Å
98I81.4Confident82.2Confident2 Ų263.1 Ų63.11%0.0130%0.303CS..Hα-helixtrans-51.8-40.3179.6-74.3178.5000112.5Y19 L26 S32 I35 I37 N100 T102Y19-I98 HydrophobicContact CD2-CD1 4.38Å; Y19-I98 HydrophobicContact CD2-CG1 4.22Å; Y19-I98 HydrophobicContact CE2-CB 4.41Å; Y19-I98 HydrophobicContact CE2-CD1 4.35Å; Y19-I98 HydrophobicContact CE2-CG1 4.03Å; Y19-I98 HydrophobicContact CE2-CG2 3.8Å; L26-I98 HydrophobicContact CB-CD1 4.44Å; L26-I98 HydrophobicContact CD2-CD1 4.28Å; S32-I98 WeakPolarHBondContact O-CD1 3.42Å; I35-I98 HydrophobicContact CB-CD1 3.81Å; I35-I98 HydrophobicContact CB-CG1 4.38Å; I35-I98 HydrophobicContact CD1-CD1 4.26Å; I35-I98 HydrophobicContact CG2-CD1 4.07Å; I35-I98 PolarHBondContact O-N 3.08Å; I37-I98 HydrophobicContact CD1-CD1 4.23Å; I37-I98 HydrophobicContact CD1-CG1 3.66Å; I37-I98 HydrophobicContact CG1-CG1 3.94Å; I98-N100 PolarHBondContact O-N 3.15Å; I98-T102 PolarHBondContact O-N 2.87Å; I98-T102 VanDerWaalsContact O-N 3.1Å; I98-T102 PolarHBondContact O-OG1 3.33Å
99L75.9Confident81.4Confident105 Ų10566.5 Ų66.555%0.5532%0.321SS..Hα-helixtrans-61.2-42.4179.9-71.6170.9000112.4S97S97-L99 PolarHBondContact O-N 2.82Å; S97-L99 VanDerWaalsContact O-N 3.16Å
100N80.1Confident80.9Confident51 Ų5167.1 Ų67.127%0.27332%0.324SS..Hα-helixtrans-85.3-34.4-175.9-67.6-29.7000112.1D94 S97 I98 T102 K103 M104D94-N100 PolarHBondContact O-ND2 3.49Å; S97-N100 PolarHBondContact O-N 2.88Å; S97-N100 PolarHBondContact OG-ND2 3.41Å; I98-N100 PolarHBondContact O-N 3.15Å; N100-T102 VanDerWaalsContact C-N 3.26Å; N100-T102 PolarHBondContact O-N 3.29Å; N100-K103 PolarHBondContact O-N 2.92Å; N100-M104 PolarHBondContact O-N 3.35Å; N100-M104 VanDerWaalsContact O-N 3.08Å
101I80.3Confident80.3Confident1 Ų168.1 Ų68.11%0.00533%0.331CS..Hα-helixtrans-57.7-41.3171.2-68-92000110.7Y19 I37 S97 K103 M104 I105 I110 I114Y19-I101 HydrophobicContact CD1-CG2 4.01Å; Y19-I101 HydrophobicContact CE1-CG2 3.59Å; I37-I101 HydrophobicContact CB-CD1 3.71Å; I37-I101 HydrophobicContact CB-CG1 3.8Å; I37-I101 HydrophobicContact CG1-CB 4.33Å; I37-I101 HydrophobicContact CG1-CD1 4.33Å; I37-I101 HydrophobicContact CG1-CG1 3.88Å; I37-I101 HydrophobicContact CG1-CG2 4.35Å; I37-I101 HydrophobicContact CG2-CD1 3.98Å; I37-I101 HydrophobicContact CG2-CG1 4.44Å; S97-I101 VanDerWaalsContact O-CG1 3.27Å; S97-I101 WeakPolarHBondContact O-CG1 3.29Å; S97-I101 PolarHBondContact O-N 2.83Å; I101-K103 VanDerWaalsContact C-N 3.27Å; I101-K103 PolarHBondContact O-N 3.2Å; I101-M104 CarbonylContact O-C 3.56Å; I101-M104 WeakPolarHBondContact O-CA 3.48Å; I101-M104 PolarHBondContact O-N 2.55Å; I101-I105 HydrophobicContact CG2-CG1 4.45Å; I101-I105 PolarHBondContact O-N 2.87Å; I101-I110 HydrophobicContact CD1-CG2 3.88Å; I101-I110 HydrophobicContact CG2-CD1 4.23Å; I101-I114 HydrophobicContact CD1-CD1 4.05Å; I101-I114 HydrophobicContact CD1-CG1 4.43Å
102T75.3Confident80Confident29 Ų2967.6 Ų67.618%0.17834%0.336CS..Hα-helixtrans-56.6-42.7179.9-56.20000111.6Y19 I98 N100 I105Y19-T102 PolarHBondContact OH-OG1 3.49Å; I98-T102 PolarHBondContact O-N 2.87Å; I98-T102 VanDerWaalsContact O-N 3.1Å; I98-T102 PolarHBondContact O-OG1 3.33Å; N100-T102 VanDerWaalsContact C-N 3.26Å; N100-T102 PolarHBondContact O-N 3.29Å; T102-I105 PolarHBondContact O-N 3.5Å
103K75.9Confident79.7Confident137 Ų13769.6 Ų69.660%0.59635%0.345SS*.Hα-helixtrans-70.4-31.5176.3-63.1176.8-178.51730112.7N100 I101N100-K103 PolarHBondContact O-N 2.92Å; I101-K103 VanDerWaalsContact C-N 3.27Å; I101-K103 PolarHBondContact O-N 3.2Å
104M74.3Confident79.6Confident40 Ų4066.2 Ų66.220%0.19733%0.332CS..Hα-helixtrans-74.4-29176.2-71.9-170.4167.800112.9N100 I101 E106 K107 N108 I110 E113N100-M104 PolarHBondContact O-N 3.35Å; N100-M104 VanDerWaalsContact O-N 3.08Å; I101-M104 CarbonylContact O-C 3.56Å; I101-M104 WeakPolarHBondContact O-CA 3.48Å; I101-M104 PolarHBondContact O-N 2.55Å; M104-E106 PolarHBondContact O-N 3.28Å; M104-K107 PolarHBondContact O-N 2.96Å; M104-N108 PolarHBondContact O-N 3.44Å; M104-I110 HydrophobicContact CB-CD1 4.41Å; M104-I110 HydrophobicContact CB-CG1 3.55Å; M104-E113 HydrophobicContact CE-CB 4.02Å; M104-E113 HydrophobicContact CE-CG 3.81Å; M104-E113 HydrophobicContact SD-CB 3.86Å; M104-E113 HydrophobicContact SD-CG 3.94Å
105I73.5Confident79.6Confident35 Ų3568 Ų6818%0.17933%0.333CS..Hα-helixtrans-55.7-44.7174-69.1179.3000109.2Y19 L20 K23 I101 T102 K107 N108 I110Y19-I105 HydrophobicContact CE1-CD1 3.74Å; L20-I105 HydrophobicContact CD2-CD1 3.72Å; L20-I105 HydrophobicContact CD2-CG1 4.5Å; K23-I105 HydrophobicContact CD-CD1 4.04Å; I101-I105 HydrophobicContact CG2-CG1 4.45Å; I101-I105 PolarHBondContact O-N 2.87Å; T102-I105 PolarHBondContact O-N 3.5Å; I105-K107 PolarHBondContact O-N 3.49Å; I105-K107 VanDerWaalsContact O-N 3.11Å; I105-N108 PolarHBondContact O-N 3.13Å; I105-N108 PolarHBondContact O-OD1 3.28Å; I105-I110 VanDerWaalsContact CA-CD1 3.42Å; I105-I110 HydrophobicContact CB-CD1 3.85Å; I105-I110 HydrophobicContact CD1-CD1 4.34Å; I105-I110 HydrophobicContact CG1-CD1 3.14Å; I105-I110 HydrophobicContact CG1-CG1 4.46Å
106E69.2Low79.8Confident155 Ų15570.1 Ų70.172%0.72434%0.341SS*.THydrogen-bonded Turntrans-61.3-23.2-178.8-63.6172.3177.800112.7M104M104-E106 PolarHBondContact O-N 3.28Å
107K70.9Confident80Confident156 Ų15670.2 Ų70.268%0.67834%0.342SS*.THydrogen-bonded Turntrans-96.70.7178.1-62.6-174.7178.8-1770114M104 I105 N109M104-K107 PolarHBondContact O-N 2.96Å; I105-K107 PolarHBondContact O-N 3.49Å; I105-K107 VanDerWaalsContact O-N 3.11Å; K107-N109 PolarHBondContact O-N 2.9Å; K107-N109 PolarHBondContact O-OD1 3.06Å
108N71Confident80.3Confident150 Ų15072.2 Ų72.280%0.80235%0.348SS*.THydrogen-bonded Turntrans52.720.9-176.7-73.3-22.5000116.1M104 I105M104-N108 PolarHBondContact O-N 3.44Å; I105-N108 PolarHBondContact O-N 3.13Å; I105-N108 PolarHBondContact O-OD1 3.28Å
109N77Confident80.9Confident93 Ų9376.4 Ų76.450%0.49737%0.368SS..  trans-11010.7-172.1-78.3-11.5000114.9K107 Q111 S112 E113K107-N109 PolarHBondContact O-N 2.9Å; K107-N109 PolarHBondContact O-OD1 3.06Å; N109-Q111 PolarHBondContact O-N 3.1Å; N109-S112 PolarHBondContact O-N 3.35Å; N109-E113 WeakPolarHBondContact O-CG 3.41Å; N109-E113 PolarHBondContact O-N 2.88Å; N109-E113 VanDerWaalsContact O-N 3.08Å
110I80.5Confident81.8Confident17 Ų1775.3 Ų75.39%0.08736%0.358CS..Hα-helixtrans-62.3-46.8-168.7-63.2162.9000113.1I16 I101 M104 I105 S112 E113 I114I16-I110 HydrophobicContact CD1-CB 4.17Å; I16-I110 HydrophobicContact CD1-CG2 3.35Å; I101-I110 HydrophobicContact CD1-CG2 3.88Å; I101-I110 HydrophobicContact CG2-CD1 4.23Å; M104-I110 HydrophobicContact CB-CD1 4.41Å; M104-I110 HydrophobicContact CB-CG1 3.55Å; I105-I110 VanDerWaalsContact CA-CD1 3.42Å; I105-I110 HydrophobicContact CB-CD1 3.85Å; I105-I110 HydrophobicContact CD1-CD1 4.34Å; I105-I110 HydrophobicContact CG1-CD1 3.14Å; I105-I110 HydrophobicContact CG1-CG1 4.46Å; I110-S112 PolarHBondContact O-N 2.97Å; I110-E113 PolarHBondContact O-N 3.39Å; I110-E113 VanDerWaalsContact O-N 3.13Å; I110-I114 HydrophobicContact CG2-CD1 3.49Å; I110-I114 VanDerWaalsContact CG2-CD1 3.49Å; I110-I114 HydrophobicContact CG2-CG1 3.92Å; I110-I114 WeakPolarHBondContact O-CG1 3.42Å; I110-I114 PolarHBondContact O-N 3.2Å
111Q80.1Confident82.5Confident160 Ų16073 Ų7375%0.74835%0.346SS*.Hα-helixtrans-62.7-38.7-175-168.7169.4-4.500110.8N109 Y115N109-Q111 PolarHBondContact O-N 3.1Å; Q111-Y115 WeakPolarHBondContact O-CB 3.49Å; Q111-Y115 PolarHBondContact O-N 3.08Å
112S84.2Confident83.1Confident64 Ų6474.8 Ų74.845%0.44836%0.355SS..Hα-helixtrans-64.1-43.5174-177.20000111.9N109 I110 Y115 K116N109-S112 PolarHBondContact O-N 3.35Å; I110-S112 PolarHBondContact O-N 2.97Å; S112-Y115 PolarHBondContact O-N 3.13Å; S112-K116 WeakPolarHBondContact O-CG 3.48Å; S112-K116 PolarHBondContact O-N 3.34Å
113E85.9Confident84Confident41 Ų4177.6 Ų77.619%0.19237%0.369CS..Hα-helixtrans-67.8-42.6179.1-69.4-60.8131.900112.7M104 N109 I110 Y115 K116 I117M104-E113 HydrophobicContact CE-CB 4.02Å; M104-E113 HydrophobicContact CE-CG 3.81Å; M104-E113 HydrophobicContact SD-CB 3.86Å; M104-E113 HydrophobicContact SD-CG 3.94Å; N109-E113 WeakPolarHBondContact O-CG 3.41Å; N109-E113 PolarHBondContact O-N 2.88Å; N109-E113 VanDerWaalsContact O-N 3.08Å; I110-E113 PolarHBondContact O-N 3.39Å; I110-E113 VanDerWaalsContact O-N 3.13Å; E113-Y115 VanDerWaalsContact C-N 3.27Å; E113-Y115 PolarHBondContact O-N 3.26Å; E113-K116 PolarHBondContact O-N 3.47Å; E113-K116 IonicContact OE1-NZ 2.72Å; E113-K116 PolarHBondContact OE1-NZ 3.39Å; E113-I117 WeakPolarHBondContact O-CG1 3.46Å; E113-I117 PolarHBondContact O-N 2.82Å
114I86.7Confident84.9Confident2 Ų271.4 Ų71.41%0.0134%0.342CS..Hα-helixtrans-63.5-38.8174.7-62.6175.8000110.3I16 T39 L42 I101 I110 I117 Y118I16-I114 HydrophobicContact CD1-CD1 3.95Å; T39-I114 HydrophobicContact CG2-CG2 3.85Å; L42-I114 HydrophobicContact CD2-CG2 3.79Å; I101-I114 HydrophobicContact CD1-CD1 4.05Å; I101-I114 HydrophobicContact CD1-CG1 4.43Å; I110-I114 HydrophobicContact CG2-CD1 3.49Å; I110-I114 VanDerWaalsContact CG2-CD1 3.49Å; I110-I114 HydrophobicContact CG2-CG1 3.92Å; I110-I114 WeakPolarHBondContact O-CG1 3.42Å; I110-I114 PolarHBondContact O-N 3.2Å; I114-I117 PolarHBondContact O-N 3.41Å; I114-Y118 WeakPolarHBondContact O-CB 3.18Å; I114-Y118 PolarHBondContact O-N 2.94Å
115Y87.8Confident85.8Confident126 Ų12670.1 Ų70.149%0.49434%0.336SS..Hα-helixtrans-64.4-40.8177.9-171.1-97.8000112.3Q111 S112 E113 I117 Y118 E119Q111-Y115 WeakPolarHBondContact O-CB 3.49Å; Q111-Y115 PolarHBondContact O-N 3.08Å; S112-Y115 PolarHBondContact O-N 3.13Å; E113-Y115 VanDerWaalsContact C-N 3.27Å; E113-Y115 PolarHBondContact O-N 3.26Å; Y115-I117 VanDerWaalsContact C-N 3.26Å; Y115-I117 PolarHBondContact O-N 2.96Å; Y115-Y118 AromaticContact CD2-CD1 3.91Å; Y115-Y118 HydrophobicContact CD2-CD1 3.91Å; Y115-Y118 AromaticContact CE2-CD1 3.8Å; Y115-Y118 HydrophobicContact CE2-CD1 3.8Å; Y115-Y118 HydrophobicContact CE2-CE1 4.03Å; Y115-Y118 WeakPolarHBondContact O-CB 3.44Å; Y115-Y118 PolarHBondContact O-N 3.18Å; Y115-Y118 VanDerWaalsContact O-N 3.14Å; Y115-E119 HydrophobicContact CD1-CG 4.24Å; Y115-E119 VanDerWaalsContact CE1-CD 3.49Å; Y115-E119 HydrophobicContact CE1-CG 3.81Å; Y115-E119 WeakPolarHBondContact CE1-OE1 3.23Å; Y115-E119 PolarHBondContact O-N 3.49Å; Y115-E119 PolarHBondContact OH-OE1 2.98Å
116K90.6Very high86.7Confident98 Ų9873 Ų7343%0.42635%0.352SS..Hα-helixtrans-59.3-36.3173-71.2171.2-171.4172.50112.8S112 E113 K120S112-K116 WeakPolarHBondContact O-CG 3.48Å; S112-K116 PolarHBondContact O-N 3.34Å; E113-K116 PolarHBondContact O-N 3.47Å; E113-K116 IonicContact OE1-NZ 2.72Å; E113-K116 PolarHBondContact OE1-NZ 3.39Å; K116-K120 WeakPolarHBondContact O-CG 3.31Å; K116-K120 PolarHBondContact O-N 2.86Å
117I92.3Very high87.7Confident3 Ų371 Ų712%0.01534%0.342CS..Hα-helixtrans-71.6-43.5175.8-65.2164.4000110.2L92 Q95 C96 E113 I114 Y115 E119 K120 F121L92-I117 HydrophobicContact CD1-CG2 3.7Å; Q95-I117 HydrophobicContact CB-CD1 3.5Å; Q95-I117 HydrophobicContact CG-CD1 4.32Å; C96-I117 WeakPolarHBondContact SG-CD1 3.49Å; E113-I117 WeakPolarHBondContact O-CG1 3.46Å; E113-I117 PolarHBondContact O-N 2.82Å; I114-I117 PolarHBondContact O-N 3.41Å; Y115-I117 VanDerWaalsContact C-N 3.26Å; Y115-I117 PolarHBondContact O-N 2.96Å; I117-E119 VanDerWaalsContact C-N 3.34Å; I117-E119 PolarHBondContact O-N 3.49Å; I117-K120 WeakPolarHBondContact O-CB 3.43Å; I117-K120 PolarHBondContact O-N 3.13Å; I117-F121 HydrophobicContact CG2-CD2 3.66Å; I117-F121 HydrophobicContact CG2-CE2 3.61Å; I117-F121 WeakPolarHBondContact O-CD2 3.31Å; I117-F121 PolarHBondContact O-N 2.84Å; I117-F121 VanDerWaalsContact O-N 3.08Å
118Y92.5Very high88.6Confident51 Ų5163.6 Ų63.620%0.231%0.31CS..Hα-helixtrans-54.6-47.4176165.4-108.1000112.3E41 L42 T45 I114 Y115 K120 F121 I122E41-Y118 HydrophobicContact CB-CD2 4.28Å; E41-Y118 HydrophobicContact CB-CE2 3.83Å; L42-Y118 HydrophobicContact CB-CD2 4.29Å; T45-Y118 WeakPolarHBondContact OG1-CE2 3.27Å; I114-Y118 WeakPolarHBondContact O-CB 3.18Å; I114-Y118 PolarHBondContact O-N 2.94Å; Y115-Y118 AromaticContact CD2-CD1 3.91Å; Y115-Y118 HydrophobicContact CD2-CD1 3.91Å; Y115-Y118 AromaticContact CE2-CD1 3.8Å; Y115-Y118 HydrophobicContact CE2-CD1 3.8Å; Y115-Y118 HydrophobicContact CE2-CE1 4.03Å; Y115-Y118 WeakPolarHBondContact O-CB 3.44Å; Y115-Y118 PolarHBondContact O-N 3.18Å; Y115-Y118 VanDerWaalsContact O-N 3.14Å; Y118-K120 VanDerWaalsContact C-N 3.32Å; Y118-K120 PolarHBondContact O-N 3.09Å; Y118-F121 PolarHBondContact O-N 3.16Å; Y118-I122 HydrophobicContact CD2-CG1 4.05Å; Y118-I122 HydrophobicContact CE1-CG1 4.06Å; Y118-I122 HydrophobicContact CE2-CD1 3.65Å; Y118-I122 HydrophobicContact CE2-CG1 3.53Å; Y118-I122 WeakPolarHBondContact O-CG1 3.29Å; Y118-I122 PolarHBondContact O-N 2.99Å
119E94.2Very high89.5Confident91 Ų9159.2 Ų59.243%0.42528%0.284SS..Hα-helixtrans-56.9-44.4176.7-71.9-173147.800112.1Y115 I117 F121 I122 D123Y115-E119 HydrophobicContact CD1-CG 4.24Å; Y115-E119 VanDerWaalsContact CE1-CD 3.49Å; Y115-E119 HydrophobicContact CE1-CG 3.81Å; Y115-E119 WeakPolarHBondContact CE1-OE1 3.23Å; Y115-E119 PolarHBondContact O-N 3.49Å; Y115-E119 PolarHBondContact OH-OE1 2.98Å; I117-E119 VanDerWaalsContact C-N 3.34Å; I117-E119 PolarHBondContact O-N 3.49Å; E119-F121 VanDerWaalsContact C-N 3.29Å; E119-F121 PolarHBondContact O-N 3.32Å; E119-I122 WeakPolarHBondContact O-CB 3.47Å; E119-I122 PolarHBondContact O-N 2.83Å; E119-I122 VanDerWaalsContact O-N 3.13Å; E119-D123 PolarHBondContact O-N 2.97Å
120K95.8Very high90Very high81 Ų8157.9 Ų57.935%0.35228%0.281SS..Hα-helixtrans-61.6-36.3176.2-66.9173.4175.91780113.1L88 K116 I117 Y118 F124L88-K120 HydrophobicContact CD2-CB 3.7Å; L88-K120 HydrophobicContact CD2-CD 4.04Å; L88-K120 HydrophobicContact CD2-CG 4.43Å; K116-K120 WeakPolarHBondContact O-CG 3.31Å; K116-K120 PolarHBondContact O-N 2.86Å; I117-K120 WeakPolarHBondContact O-CB 3.43Å; I117-K120 PolarHBondContact O-N 3.13Å; Y118-K120 VanDerWaalsContact C-N 3.32Å; Y118-K120 PolarHBondContact O-N 3.09Å; K120-F124 WeakPolarHBondContact O-CB 3.48Å; K120-F124 PolarHBondContact O-N 3.4Å
121F94.9Very high90.2Very high3 Ų358.8 Ų58.81%0.01328%0.284CS..Hα-helixtrans-73.1-31.8176.3-85.8-77.7000112.5L42 T45 L46 L49 L88 L92 I117 Y118 E119 F124 E125L42-F121 HydrophobicContact CD1-CB 4.39Å; L42-F121 HydrophobicContact CD1-CD2 3.95Å; L42-F121 HydrophobicContact CD1-CG 4.33Å; T45-F121 HydrophobicContact CG2-CB 4.03Å; L46-F121 HydrophobicContact CD2-CD1 3.91Å; L46-F121 HydrophobicContact CD2-CE1 3.64Å; L46-F121 HydrophobicContact CD2-CE2 4.42Å; L46-F121 HydrophobicContact CD2-CG 4.38Å; L46-F121 HydrophobicContact CD2-CZ 3.92Å; L49-F121 HydrophobicContact CD1-CB 4.37Å; L49-F121 HydrophobicContact CD1-CD1 3.52Å; L49-F121 HydrophobicContact CD1-CE1 4.31Å; L49-F121 HydrophobicContact CD1-CG 4.4Å; L88-F121 HydrophobicContact CB-CE1 4.04Å; L88-F121 HydrophobicContact CB-CE2 4.35Å; L88-F121 HydrophobicContact CB-CZ 3.86Å; L92-F121 HydrophobicContact CB-CE2 3.99Å; L92-F121 HydrophobicContact CB-CZ 4.09Å; L92-F121 HydrophobicContact CD1-CE2 4.06Å; L92-F121 HydrophobicContact CD2-CE2 4.24Å; L92-F121 HydrophobicContact CD2-CZ 4.05Å; L92-F121 HydrophobicContact CG-CE2 4.32Å; I117-F121 HydrophobicContact CG2-CD2 3.66Å; I117-F121 HydrophobicContact CG2-CE2 3.61Å; I117-F121 WeakPolarHBondContact O-CD2 3.31Å; I117-F121 PolarHBondContact O-N 2.84Å; I117-F121 VanDerWaalsContact O-N 3.08Å; Y118-F121 PolarHBondContact O-N 3.16Å; E119-F121 VanDerWaalsContact C-N 3.29Å; E119-F121 PolarHBondContact O-N 3.32Å; F121-F124 PolarHBondContact O-N 3.06Å; F121-E125 WeakPolarHBondContact O-CB 3.44Å; F121-E125 PolarHBondContact O-N 2.87Å
122I93.5Very high90.6Very high38 Ų3852.9 Ų52.920%0.19526%0.255CS..Hα-helixtrans-65.6-47.2171-69.5-67.9000110.3T45 Y118 E119 F124 E125 N126T45-I122 HydrophobicContact CG2-CD1 3.93Å; T45-I122 HydrophobicContact CG2-CG1 4.47Å; Y118-I122 HydrophobicContact CD2-CG1 4.05Å; Y118-I122 HydrophobicContact CE1-CG1 4.06Å; Y118-I122 HydrophobicContact CE2-CD1 3.65Å; Y118-I122 HydrophobicContact CE2-CG1 3.53Å; Y118-I122 WeakPolarHBondContact O-CG1 3.29Å; Y118-I122 PolarHBondContact O-N 2.99Å; E119-I122 WeakPolarHBondContact O-CB 3.47Å; E119-I122 PolarHBondContact O-N 2.83Å; E119-I122 VanDerWaalsContact O-N 3.13Å; I122-F124 VanDerWaalsContact C-N 3.26Å; I122-F124 PolarHBondContact O-N 2.88Å; I122-E125 WeakPolarHBondContact O-CB 3.25Å; I122-E125 PolarHBondContact O-N 3.46Å; I122-E125 VanDerWaalsContact O-N 3.1Å; I122-N126 VanDerWaalsContact O-CG 3.3Å; I122-N126 PolarHBondContact O-N 3.49Å; I122-N126 PolarHBondContact O-ND2 3.1Å
123D93.6Very high90.7Very high89 Ų8954.9 Ų54.948%0.47626%0.258SS..Hα-helixtrans-57.9-44.4175.6-70.5-22.7000110.6E119 E125 N126 H127E119-D123 PolarHBondContact O-N 2.97Å; D123-E125 PolarHBondContact O-N 3.42Å; D123-N126 WeakPolarHBondContact O-CB 3.16Å; D123-N126 PolarHBondContact O-N 3.16Å; D123-H127 PolarHBondContact O-N 2.99Å; D123-H127 PolarHBondContact O-ND1 3.41Å
124F94.5Very high90.6Very high6 Ų655.7 Ų55.73%0.02626%0.263CS..Hα-helixtrans-63.7-38.8175.9-177.6-115.2000113.2L49 F53 L81 Q84 G85 L88 K120 F121 I122 N126 H127 L128L49-F124 HydrophobicContact CD1-CD1 4.11Å; L49-F124 HydrophobicContact CD2-CD1 3.87Å; L49-F124 HydrophobicContact CD2-CE1 4.2Å; F53-F124 AromaticContact CE2-CE1 3.66Å; F53-F124 HydrophobicContact CE2-CE1 3.66Å; F53-F124 AromaticContact CE2-CZ 3.82Å; F53-F124 HydrophobicContact CE2-CZ 3.82Å; F53-F124 HydrophobicContact CZ-CE1 4.1Å; F53-F124 AromaticContact CZ-CZ 3.75Å; F53-F124 HydrophobicContact CZ-CZ 3.75Å; L81-F124 HydrophobicContact CD2-CD2 4.47Å; L81-F124 HydrophobicContact CD2-CE2 3.85Å; L81-F124 HydrophobicContact CD2-CZ 4.49Å; L81-F124 WeakPolarHBondContact O-CE2 3.35Å; L81-F124 WeakPolarHBondContact O-CZ 3.21Å; Q84-F124 HydrophobicContact CB-CD2 4.21Å; Q84-F124 HydrophobicContact CB-CE2 3.93Å; G85-F124 VanDerWaalsContact CA-CZ 3.43Å; L88-F124 HydrophobicContact CD1-CB 3.47Å; L88-F124 VanDerWaalsContact CD1-CB 3.47Å; L88-F124 HydrophobicContact CD1-CD1 4.12Å; L88-F124 HydrophobicContact CD1-CD2 4Å; L88-F124 HydrophobicContact CD1-CG 3.61Å; K120-F124 WeakPolarHBondContact O-CB 3.48Å; K120-F124 PolarHBondContact O-N 3.4Å; F121-F124 PolarHBondContact O-N 3.06Å; I122-F124 VanDerWaalsContact C-N 3.26Å; I122-F124 PolarHBondContact O-N 2.88Å; F124-N126 VanDerWaalsContact C-N 3.32Å; F124-N126 PolarHBondContact O-N 3.47Å; F124-H127 PolarHBondContact O-N 3.45Å; F124-L128 WeakPolarHBondContact O-CB 3.4Å; F124-L128 PolarHBondContact O-N 2.9Å
125E92.7Very high90.4Very high13 Ų1355.6 Ų55.66%0.06126%0.262CS..Hα-helixtrans-60.1-42.8173.2-174.6174.2-165.300111.2R48 L49 K52 F121 I122 D123 H127 L128 E129R48-E125 WeakPolarHBondContact CB-OE1 3.29Å; R48-E125 IonicContact CZ-OE1 3.87Å; R48-E125 IonicContact CZ-OE2 3.44Å; R48-E125 IonicContact NE-OE1 2.91Å; R48-E125 PolarHBondContact NE-OE1 3.16Å; R48-E125 IonicContact NE-OE2 3.24Å; R48-E125 PolarHBondContact NE-OE2 3.06Å; R48-E125 IonicContact NH2-OE1 3.92Å; R48-E125 IonicContact NH2-OE2 2.77Å; R48-E125 PolarHBondContact NH2-OE2 3.32Å; L49-E125 HydrophobicContact CD2-CB 3.77Å; L49-E125 HydrophobicContact CD2-CG 4.09Å; L49-E125 HydrophobicContact CG-CB 4.32Å; K52-E125 HydrophobicContact CD-CG 4.37Å; K52-E125 VanDerWaalsContact NZ-CG 3.34Å; K52-E125 IonicContact NZ-OE1 2.55Å; K52-E125 PolarHBondContact NZ-OE1 3.45Å; F121-E125 WeakPolarHBondContact O-CB 3.44Å; F121-E125 PolarHBondContact O-N 2.87Å; I122-E125 WeakPolarHBondContact O-CB 3.25Å; I122-E125 PolarHBondContact O-N 3.46Å; I122-E125 VanDerWaalsContact O-N 3.1Å; D123-E125 PolarHBondContact O-N 3.42Å; E125-H127 VanDerWaalsContact C-N 3.34Å; E125-H127 PolarHBondContact O-N 2.88Å; E125-L128 WeakPolarHBondContact O-CB 3.4Å; E125-L128 PolarHBondContact O-N 3.5Å; E125-L128 VanDerWaalsContact O-N 3.11Å; E125-E129 PolarHBondContact O-N 2.96Å
126N92.3Very high90Very high97 Ų9751.7 Ų51.752%0.51925%0.253SS..Hα-helixtrans-63.7-38.9176.5-64.9-29.1000112I122 D123 F124 L128 E129I122-N126 VanDerWaalsContact O-CG 3.3Å; I122-N126 PolarHBondContact O-N 3.49Å; I122-N126 PolarHBondContact O-ND2 3.1Å; D123-N126 WeakPolarHBondContact O-CB 3.16Å; D123-N126 PolarHBondContact O-N 3.16Å; F124-N126 VanDerWaalsContact C-N 3.32Å; F124-N126 PolarHBondContact O-N 3.47Å; N126-L128 VanDerWaalsContact C-N 3.28Å; N126-L128 PolarHBondContact O-N 3.39Å; N126-E129 WeakPolarHBondContact O-CB 3.27Å; N126-E129 PolarHBondContact O-N 3.13Å
127H90.4Very high89.4Confident113 Ų11352.4 Ų52.452%0.52326%0.258SS..Hα-helixtrans-68.5-27.4174.1-7195.1000112.8L81 D123 F124 E125 F131L81-H127 HydrophobicContact CD2-CB 4.37Å; D123-H127 PolarHBondContact O-N 2.99Å; D123-H127 PolarHBondContact O-ND1 3.41Å; F124-H127 PolarHBondContact O-N 3.45Å; E125-H127 VanDerWaalsContact C-N 3.34Å; E125-H127 PolarHBondContact O-N 2.88Å; H127-F131 VanDerWaalsContact O-CD2 3.31Å; H127-F131 WeakPolarHBondContact O-CD2 3.33Å; H127-F131 VanDerWaalsContact O-CE2 3.23Å; H127-F131 WeakPolarHBondContact O-CE2 3.16Å
128L89.9Confident88.6Confident0 Ų053.3 Ų53.30%026%0.262CS..Hα-helixtrans-78.3-26.4176.6-17267.1000112.4L49 K52 F53 I56 L81 F124 E125 N126 F131 Y132L49-L128 HydrophobicContact CD2-CD2 3.75Å; K52-L128 HydrophobicContact CB-CD2 3.65Å; K52-L128 HydrophobicContact CB-CG 4.48Å; K52-L128 HydrophobicContact CD-CD2 4.28Å; F53-L128 HydrophobicContact CD2-CD1 4.45Å; F53-L128 HydrophobicContact CD2-CD2 3.67Å; F53-L128 HydrophobicContact CE1-CD1 4.09Å; F53-L128 HydrophobicContact CE2-CD1 3.89Å; F53-L128 HydrophobicContact CE2-CD2 3.54Å; F53-L128 HydrophobicContact CE2-CG 4.35Å; F53-L128 HydrophobicContact CG-CD2 4.43Å; F53-L128 HydrophobicContact CZ-CD1 3.68Å; F53-L128 HydrophobicContact CZ-CD2 4.23Å; I56-L128 HydrophobicContact CD1-CD1 3.55Å; I56-L128 HydrophobicContact CD1-CG 3.96Å; L81-L128 HydrophobicContact CD1-CD1 4.19Å; L81-L128 HydrophobicContact CD2-CD1 4.37Å; F124-L128 WeakPolarHBondContact O-CB 3.4Å; F124-L128 PolarHBondContact O-N 2.9Å; E125-L128 WeakPolarHBondContact O-CB 3.4Å; E125-L128 PolarHBondContact O-N 3.5Å; E125-L128 VanDerWaalsContact O-N 3.11Å; N126-L128 VanDerWaalsContact C-N 3.28Å; N126-L128 PolarHBondContact O-N 3.39Å; L128-F131 WeakPolarHBondContact O-CB 3.15Å; L128-F131 PolarHBondContact O-N 3.49Å; L128-F131 VanDerWaalsContact O-N 3.08Å; L128-Y132 PolarHBondContact O-N 2.9Å; L128-Y132 VanDerWaalsContact O-N 3.1Å
129E89.4Confident87.6Confident57 Ų5753.4 Ų53.427%0.26627%0.265SS..Hα-helixtrans-52.2-48.3-172.1-160.965.1-161.700114.2K52 E125 N126 F131 Y132 E133K52-E129 VanDerWaalsContact CE-OE2 3.23Å; K52-E129 WeakPolarHBondContact CE-OE2 3.25Å; K52-E129 IonicContact NZ-OE1 2.68Å; K52-E129 IonicContact NZ-OE2 3.92Å; K52-E129 PolarHBondContact NZ-OE2 3.48Å; E125-E129 PolarHBondContact O-N 2.96Å; N126-E129 WeakPolarHBondContact O-CB 3.27Å; N126-E129 PolarHBondContact O-N 3.13Å; E129-F131 PolarHBondContact O-N 3.3Å; E129-Y132 WeakPolarHBondContact O-CB 3.5Å; E129-Y132 PolarHBondContact O-N 3.47Å; E129-E133 HydrophobicContact CG-CG 4.44Å; E129-E133 PolarHBondContact O-N 3.25Å
130P87.5Confident86.4Confident66 Ų6654.8 Ų54.843%0.42927%0.272SS..Hα-helixtrans-61.3-34.4-178.7-2335000112.6I134P130-I134 WeakPolarHBondContact O-CD1 3.09Å; P130-I134 WeakPolarHBondContact O-CG1 3.49Å; P130-I134 PolarHBondContact O-N 2.88Å; P130-I134 VanDerWaalsContact O-N 3.16Å
131F86.5Confident85.1Confident35 Ų3556 Ų5615%0.15428%0.28CS..Hα-helixtrans-71.6-37.7178.6-57.2-102.4000111I56 L76 F78 L81 H127 L128 E129 A135I56-F131 HydrophobicContact CD1-CB 3.96Å; L76-F131 HydrophobicContact CB-CD1 3.93Å; L76-F131 HydrophobicContact CB-CE1 3.78Å; L76-F131 HydrophobicContact CD1-CD1 3.34Å; L76-F131 HydrophobicContact CD1-CE1 3.76Å; L76-F131 HydrophobicContact CD1-CG 4.13Å; L76-F131 HydrophobicContact CD2-CD1 4.37Å; L76-F131 HydrophobicContact CD2-CE1 3.92Å; L76-F131 HydrophobicContact CG-CD1 4.08Å; L76-F131 HydrophobicContact CG-CE1 4.03Å; F78-F131 AromaticContact CD1-CD1 3.92Å; F78-F131 HydrophobicContact CD1-CD1 3.92Å; F78-F131 HydrophobicContact CD1-CE1 4.35Å; F78-F131 HydrophobicContact CE1-CB 4.11Å; F78-F131 AromaticContact CE1-CD1 3.43Å; F78-F131 HydrophobicContact CE1-CD1 3.43Å; F78-F131 VanDerWaalsContact CE1-CD1 3.43Å; F78-F131 HydrophobicContact CE1-CE1 4.24Å; F78-F131 HydrophobicContact CE1-CG 4.13Å; F78-F131 HydrophobicContact CZ-CD1 4.07Å; L81-F131 HydrophobicContact CD1-CD1 3.67Å; L81-F131 HydrophobicContact CD1-CD2 3.5Å; L81-F131 HydrophobicContact CD1-CE1 3.56Å; L81-F131 HydrophobicContact CD1-CE2 3.42Å; L81-F131 VanDerWaalsContact CD1-CE2 3.42Å; L81-F131 HydrophobicContact CD1-CG 3.65Å; L81-F131 HydrophobicContact CD1-CZ 3.44Å; L81-F131 VanDerWaalsContact CD1-CZ 3.44Å; L81-F131 HydrophobicContact CG-CE2 4.23Å; L81-F131 HydrophobicContact CG-CZ 4.25Å; H127-F131 VanDerWaalsContact O-CD2 3.31Å; H127-F131 WeakPolarHBondContact O-CD2 3.33Å; H127-F131 VanDerWaalsContact O-CE2 3.23Å; H127-F131 WeakPolarHBondContact O-CE2 3.16Å; L128-F131 WeakPolarHBondContact O-CB 3.15Å; L128-F131 PolarHBondContact O-N 3.49Å; L128-F131 VanDerWaalsContact O-N 3.08Å; E129-F131 PolarHBondContact O-N 3.3Å; F131-A135 WeakPolarHBondContact O-CB 3.33Å; F131-A135 PolarHBondContact O-N 3.11Å; F131-A135 VanDerWaalsContact O-N 3.1Å
132Y88.1Confident83.8Confident36 Ų3656.6 Ų56.614%0.14128%0.283CS..Hα-helixtrans-65.9-45.7175.3173.6-110.7000111.6Y51 K52 I55 L128 E129 I134 A135 C136Y51-Y132 HydrophobicContact CE1-CE2 4.34Å; K52-Y132 HydrophobicContact CB-CD2 3.9Å; K52-Y132 HydrophobicContact CB-CE2 4.48Å; K52-Y132 HydrophobicContact CB-CG 4.2Å; K52-Y132 HydrophobicContact CD-CD1 4.38Å; K52-Y132 HydrophobicContact CD-CG 4.25Å; K52-Y132 HydrophobicContact CG-CD1 4.16Å; K52-Y132 HydrophobicContact CG-CD2 3.73Å; K52-Y132 HydrophobicContact CG-CE1 4.45Å; K52-Y132 HydrophobicContact CG-CE2 4.05Å; K52-Y132 HydrophobicContact CG-CG 3.79Å; I55-Y132 HydrophobicContact CB-CD2 4.23Å; I55-Y132 HydrophobicContact CB-CE2 3.95Å; I55-Y132 HydrophobicContact CG1-CE2 4.05Å; I55-Y132 HydrophobicContact CG2-CD2 4.19Å; I55-Y132 HydrophobicContact CG2-CE2 3.91Å; L128-Y132 PolarHBondContact O-N 2.9Å; L128-Y132 VanDerWaalsContact O-N 3.1Å; E129-Y132 WeakPolarHBondContact O-CB 3.5Å; E129-Y132 PolarHBondContact O-N 3.47Å; Y132-I134 PolarHBondContact O-N 3.14Å; Y132-A135 WeakPolarHBondContact O-CB 3.21Å; Y132-A135 PolarHBondContact O-N 3.4Å; Y132-A135 VanDerWaalsContact O-N 3.13Å; Y132-C136 PolarHBondContact O-N 3.35Å; Y132-C136 PolarHBondContact O-SG 3.46Å
133E86.4Confident82.4Confident107 Ų10756.9 Ų56.950%0.529%0.285SS..Hα-helixtrans-60.3-45.7178.3-72.3-173.1160.200112.2E129 A135 C136 Q137E129-E133 HydrophobicContact CG-CG 4.44Å; E129-E133 PolarHBondContact O-N 3.25Å; E133-A135 VanDerWaalsContact C-N 3.27Å; E133-A135 PolarHBondContact O-N 2.67Å; E133-C136 WeakPolarHBondContact O-CB 3.42Å; E133-C136 PolarHBondContact O-N 3.31Å; E133-Q137 WeakPolarHBondContact O-CG 3.42Å; E133-Q137 PolarHBondContact O-N 2.96Å
134I82.7Confident80.9Confident57 Ų5757.2 Ų57.229%0.29229%0.287SS..Hα-helixtrans-63.4-37.7176.7-61.4162.4000110.3F74 L76 P130 Y132 C136 Q137 Q138F74-I134 HydrophobicContact CD1-CG2 4.01Å; F74-I134 HydrophobicContact CE1-CB 3.49Å; F74-I134 VanDerWaalsContact CE1-CB 3.49Å; F74-I134 HydrophobicContact CE1-CD1 4.24Å; F74-I134 HydrophobicContact CE1-CG1 4.48Å; F74-I134 HydrophobicContact CE1-CG2 3.13Å; F74-I134 HydrophobicContact CE2-CG2 4.36Å; F74-I134 HydrophobicContact CZ-CB 3.69Å; F74-I134 HydrophobicContact CZ-CG2 3.35Å; L76-I134 HydrophobicContact CD1-CD1 3.79Å; P130-I134 WeakPolarHBondContact O-CD1 3.09Å; P130-I134 WeakPolarHBondContact O-CG1 3.49Å; P130-I134 PolarHBondContact O-N 2.88Å; P130-I134 VanDerWaalsContact O-N 3.16Å; Y132-I134 PolarHBondContact O-N 3.14Å; I134-C136 VanDerWaalsContact C-N 3.33Å; I134-C136 PolarHBondContact O-N 2.92Å; I134-Q137 PolarHBondContact O-N 2.78Å; I134-Q138 WeakPolarHBondContact O-CG 3.46Å; I134-Q138 PolarHBondContact O-N 3.27Å
135A82.3Confident79.4Confident0 Ų062.3 Ų62.30%031%0.311CS..Hα-helixtrans-65.1-40.5178.100000110.9I55 I56 V59 F74 F131 Y132 E133 Q138 I139I55-A135 HydrophobicContact CG2-CB 4.27Å; I56-A135 HydrophobicContact CG1-CB 4.01Å; V59-A135 HydrophobicContact CB-CB 4.28Å; V59-A135 HydrophobicContact CG2-CB 4.08Å; F74-A135 HydrophobicContact CE2-CB 4.34Å; F74-A135 HydrophobicContact CZ-CB 4.06Å; F131-A135 WeakPolarHBondContact O-CB 3.33Å; F131-A135 PolarHBondContact O-N 3.11Å; F131-A135 VanDerWaalsContact O-N 3.1Å; Y132-A135 WeakPolarHBondContact O-CB 3.21Å; Y132-A135 PolarHBondContact O-N 3.4Å; Y132-A135 VanDerWaalsContact O-N 3.13Å; E133-A135 VanDerWaalsContact C-N 3.27Å; E133-A135 PolarHBondContact O-N 2.67Å; A135-Q138 PolarHBondContact O-N 2.81Å; A135-I139 WeakPolarHBondContact O-CG1 3.36Å; A135-I139 PolarHBondContact O-N 3.23Å
136C79.4Confident77.9Confident45 Ų4566.9 Ų66.930%0.30433%0.331SS..Hα-helixtrans-61.3-44.6172.9-73.40000112.4Y132 E133 I134 Q138 I139 E140Y132-C136 PolarHBondContact O-N 3.35Å; Y132-C136 PolarHBondContact O-SG 3.46Å; E133-C136 WeakPolarHBondContact O-CB 3.42Å; E133-C136 PolarHBondContact O-N 3.31Å; I134-C136 VanDerWaalsContact C-N 3.33Å; I134-C136 PolarHBondContact O-N 2.92Å; C136-Q138 VanDerWaalsContact C-N 3.3Å; C136-Q138 PolarHBondContact O-N 3.29Å; C136-I139 WeakPolarHBondContact O-CB 3.27Å; C136-I139 PolarHBondContact O-N 3.06Å; C136-E140 PolarHBondContact O-N 2.72Å
137Q79Confident76Confident113 Ų11368.3 Ų68.353%0.52834%0.339SS..Hα-helixtrans-60.9-40.1176.5-70.8171.80.700111.9E133 I134 E140 M141E133-Q137 WeakPolarHBondContact O-CG 3.42Å; E133-Q137 PolarHBondContact O-N 2.96Å; I134-Q137 PolarHBondContact O-N 2.78Å; Q137-E140 WeakPolarHBondContact O-CB 3.42Å; Q137-E140 PolarHBondContact O-N 3.37Å; Q137-M141 WeakPolarHBondContact O-CG 3.37Å; Q137-M141 PolarHBondContact O-N 2.96Å
138Q74.6Confident73.9Confident21 Ų2166 Ų6610%0.09833%0.332CS..Hα-helixtrans-67.5-39.7176.6-74.8-176.2-14.900112.5V59 I63 D72 F74 I134 A135 C136 E140 M141 I142V59-Q138 HydrophobicContact CG1-CB 3.88Å; I63-Q138 VanDerWaalsContact CD1-CD 3.49Å; D72-Q138 PolarHBondContact O-NE2 3.04Å; D72-Q138 VanDerWaalsContact O-NE2 3.13Å; F74-Q138 VanDerWaalsContact CE2-CD 3.5Å; I134-Q138 WeakPolarHBondContact O-CG 3.46Å; I134-Q138 PolarHBondContact O-N 3.27Å; A135-Q138 PolarHBondContact O-N 2.81Å; C136-Q138 VanDerWaalsContact C-N 3.3Å; C136-Q138 PolarHBondContact O-N 3.29Å; Q138-E140 PolarHBondContact O-N 2.6Å; Q138-M141 PolarHBondContact O-N 2.98Å; Q138-I142 WeakPolarHBondContact O-CB 3.21Å; Q138-I142 WeakPolarHBondContact O-CD1 3.45Å; Q138-I142 WeakPolarHBondContact O-CG1 3.48Å; Q138-I142 PolarHBondContact O-N 2.89Å
139I72.2Confident71.5Confident53 Ų5369.6 Ų69.627%0.27235%0.354SS..Hα-helixtrans-56.5-45.4171.8-70.4168.3000109.9I55 V59 A135 C136 I142 N143I55-I139 HydrophobicContact CG2-CD1 3.72Å; V59-I139 HydrophobicContact CG2-CD1 3.51Å; V59-I139 HydrophobicContact CG2-CG1 3.34Å; A135-I139 WeakPolarHBondContact O-CG1 3.36Å; A135-I139 PolarHBondContact O-N 3.23Å; C136-I139 WeakPolarHBondContact O-CB 3.27Å; C136-I139 PolarHBondContact O-N 3.06Å; I139-I142 PolarHBondContact O-N 2.9Å; I139-N143 VanDerWaalsContact O-CB 3.3Å; I139-N143 WeakPolarHBondContact O-CB 3.21Å; I139-N143 PolarHBondContact O-N 2.79Å; I139-N143 PolarHBondContact O-ND2 3.25Å
140E68.9Low69.1Low120 Ų12070 Ų7056%0.56136%0.358SS*.Hα-helixtrans-62-46.9178.3-170.9-180174.100111.6C136 Q137 Q138 I142 N143 N144C136-E140 PolarHBondContact O-N 2.72Å; Q137-E140 WeakPolarHBondContact O-CB 3.42Å; Q137-E140 PolarHBondContact O-N 3.37Å; Q138-E140 PolarHBondContact O-N 2.6Å; E140-I142 PolarHBondContact O-N 3.25Å; E140-N143 PolarHBondContact O-N 3.09Å; E140-N144 WeakPolarHBondContact O-CB 2.89Å; E140-N144 PolarHBondContact O-N 3Å; E140-N144 PolarHBondContact O-ND2 3.23Å
141M68.1Low66.4Low107 Ų10775.2 Ų75.253%0.52737%0.369SS..Hα-helixtrans-58.9-45.3175.6-71.9177.465.200112.4Q137 Q138 N144 Q145Q137-M141 WeakPolarHBondContact O-CG 3.37Å; Q137-M141 PolarHBondContact O-N 2.96Å; Q138-M141 PolarHBondContact O-N 2.98Å; M141-N144 PolarHBondContact O-N 3.42Å; M141-Q145 WeakPolarHBondContact O-CB 3.41Å; M141-Q145 PolarHBondContact O-N 3.3Å
142I67.4Low63.8Low15 Ų1580.9 Ų80.98%0.07740%0.4CS..Hα-helixtrans-61.5-49.5177.3-72.3161.5000110.1F62 F69 Q138 I139 E140 N144 Q145 F146F62-I142 HydrophobicContact CD1-CD1 3.57Å; F62-I142 HydrophobicContact CD1-CG1 4.3Å; F62-I142 HydrophobicContact CD1-CG2 4.25Å; F62-I142 HydrophobicContact CE1-CB 4.46Å; F62-I142 HydrophobicContact CE1-CD1 3.85Å; F62-I142 HydrophobicContact CE1-CG1 4.07Å; F62-I142 HydrophobicContact CE1-CG2 3.51Å; F62-I142 HydrophobicContact CZ-CG2 3.91Å; F69-I142 HydrophobicContact CD1-CG1 4Å; F69-I142 HydrophobicContact CE1-CB 4.42Å; F69-I142 HydrophobicContact CE1-CG1 3.63Å; F69-I142 HydrophobicContact CE2-CG1 4.48Å; F69-I142 HydrophobicContact CZ-CB 4.45Å; F69-I142 HydrophobicContact CZ-CG1 3.92Å; F69-I142 HydrophobicContact CZ-CG2 4.33Å; Q138-I142 WeakPolarHBondContact O-CB 3.21Å; Q138-I142 WeakPolarHBondContact O-CD1 3.45Å; Q138-I142 WeakPolarHBondContact O-CG1 3.48Å; Q138-I142 PolarHBondContact O-N 2.89Å; I139-I142 PolarHBondContact O-N 2.9Å; E140-I142 PolarHBondContact O-N 3.25Å; I142-N144 VanDerWaalsContact C-N 3.31Å; I142-N144 PolarHBondContact O-N 2.93Å; I142-Q145 PolarHBondContact O-N 2.95Å; I142-Q145 VanDerWaalsContact O-N 3.16Å; I142-F146 HydrophobicContact CG2-CD2 3.66Å; I142-F146 HydrophobicContact CG2-CE2 3.79Å; I142-F146 VanDerWaalsContact O-CD2 3.23Å; I142-F146 WeakPolarHBondContact O-CD2 3.43Å; I142-F146 PolarHBondContact O-N 3.26Å
143N63.8Low61.3Low44 Ų4482.5 Ų82.524%0.23541%0.411CS..Hα-helixtrans-58.9-44.7179.3-75.5-13000111.3I139 E140 F146 N147 V148I139-N143 VanDerWaalsContact O-CB 3.3Å; I139-N143 WeakPolarHBondContact O-CB 3.21Å; I139-N143 PolarHBondContact O-N 2.79Å; I139-N143 PolarHBondContact O-ND2 3.25Å; E140-N143 PolarHBondContact O-N 3.09Å; N143-F146 PolarHBondContact O-N 2.96Å; N143-N147 PolarHBondContact O-N 3.01Å; N143-V148 HydrophobicContact CB-CB 4.46Å; N143-V148 PolarHBondContact O-N 3.32Å
144N62.2Low58.6Low96 Ų9677.6 Ų77.651%0.51339%0.389SS..Hα-helixtrans-61.4-43.7175.8-72-25.5000111.5E140 M141 I142 F146 N147E140-N144 WeakPolarHBondContact O-CB 2.89Å; E140-N144 PolarHBondContact O-N 3Å; E140-N144 PolarHBondContact O-ND2 3.23Å; M141-N144 PolarHBondContact O-N 3.42Å; I142-N144 VanDerWaalsContact C-N 3.31Å; I142-N144 PolarHBondContact O-N 2.93Å; N144-F146 PolarHBondContact O-N 3.47Å; N144-N147 PolarHBondContact O-N 3.35Å; N144-N147 VanDerWaalsContact O-N 3.15Å; N144-N147 PolarHBondContact O-OD1 2.99Å
145Q63Low56.1Low113 Ų11384.4 Ų84.453%0.52841%0.412SS..Hα-helixtrans-65.3-37.1178.6-176.1172-1300112.8M141 I142 N147M141-Q145 WeakPolarHBondContact O-CB 3.41Å; M141-Q145 PolarHBondContact O-N 3.3Å; I142-Q145 PolarHBondContact O-N 2.95Å; I142-Q145 VanDerWaalsContact O-N 3.16Å; Q145-N147 PolarHBondContact O-N 3.16Å
146F61.4Low53.8Low109 Ų10993.3 Ų93.348%0.47845%0.451SS..THydrogen-bonded Turntrans-81.53.2176.6-74.9-69.2000113.5F62 F69 I142 N143 N144 V148F62-F146 HydrophobicContact CE1-CE2 4.06Å; F62-F146 AromaticContact CZ-CE2 3.68Å; F62-F146 HydrophobicContact CZ-CE2 3.68Å; F62-F146 HydrophobicContact CZ-CZ 4.22Å; F69-F146 AromaticContact CE2-CE2 3.79Å; F69-F146 HydrophobicContact CE2-CE2 3.79Å; F69-F146 HydrophobicContact CE2-CZ 4.06Å; F69-F146 HydrophobicContact CZ-CD2 4.43Å; F69-F146 AromaticContact CZ-CE2 3.62Å; F69-F146 HydrophobicContact CZ-CE2 3.62Å; F69-F146 HydrophobicContact CZ-CZ 4.15Å; I142-F146 HydrophobicContact CG2-CD2 3.66Å; I142-F146 HydrophobicContact CG2-CE2 3.79Å; I142-F146 VanDerWaalsContact O-CD2 3.23Å; I142-F146 WeakPolarHBondContact O-CD2 3.43Å; I142-F146 PolarHBondContact O-N 3.26Å; N143-F146 PolarHBondContact O-N 2.96Å; N144-F146 PolarHBondContact O-N 3.47Å; F146-V148 HydrophobicContact CB-CG2 3.74Å; F146-V148 PolarHBondContact O-N 3.45Å
147N52.5Low51.6Low128 Ų12894.1 Ų94.168%0.68445%0.452SS*.THydrogen-bonded Turntrans48.627.1-168.6-73.9-27.4000112.3N143 N144 Q145 T149N143-N147 PolarHBondContact O-N 3.01Å; N144-N147 PolarHBondContact O-N 3.35Å; N144-N147 VanDerWaalsContact O-N 3.15Å; N144-N147 PolarHBondContact O-OD1 2.99Å; Q145-N147 PolarHBondContact O-N 3.16Å; N147-T149 PolarHBondContact O-N 3.05Å
148V45.8Very low49.3Very low64 Ų6495.3 Ų95.339%0.38846%0.462SS..  trans-74.973165.4-177.50000104.7N143 F146 D150 I153N143-V148 HydrophobicContact CB-CB 4.46Å; N143-V148 PolarHBondContact O-N 3.32Å; F146-V148 HydrophobicContact CB-CG2 3.74Å; F146-V148 PolarHBondContact O-N 3.45Å; V148-D150 PolarHBondContact O-N 3.24Å; V148-I153 HydrophobicContact CG1-CD1 4.43Å
149T40Very low47.1Very low75 Ų7596.8 Ų96.846%0.4647%0.471SS..  trans-63.2139.6169.250.20000106.5N147 R151 L152N147-T149 PolarHBondContact O-N 3.05Å; T149-R151 PolarHBondContact O-N 3.04Å; T149-L152 PolarHBondContact O-N 2.68Å
150D39.6Very low45Very low66 Ų6699.8 Ų99.835%0.35349%0.487SS..Hα-helixtrans-55.710.6166-89.7-21.1000112.4V148 G154V148-D150 PolarHBondContact O-N 3.24Å; D150-G154 WeakPolarHBondContact O-CA 2.89Å; D150-G154 PolarHBondContact O-N 3.05Å
151R30.6Very low43.2Very low175 Ų17597.9 Ų97.966%0.6649%0.486SS*.Hα-helixtrans-60.3-47.4166.4-81.9-177.6168.7177-2.6111.6T149 Y155T149-R151 PolarHBondContact O-N 3.04Å; R151-Y155 WeakPolarHBondContact O-CD2 3.37Å; R151-Y155 PolarHBondContact O-N 3.13Å; R151-Y155 VanDerWaalsContact O-N 3.08Å
152L32.1Very low41.5Very low154 Ų15497.3 Ų97.381%0.80648%0.484SS*.Hα-helixtrans-78.9-36.2-177.2-78.8167.2000113.1T149T149-L152 PolarHBondContact O-N 2.68Å
153I36.3Very low39.7Very low70 Ų7098.9 Ų98.936%0.35951%0.505SS..Hα-helixtrans-75.5-35173.3-55.3177000109.8V148 Y155 K156 N157V148-I153 HydrophobicContact CG1-CD1 4.43Å; I153-Y155 VanDerWaalsContact C-N 3.33Å; I153-Y155 PolarHBondContact O-N 2.76Å; I153-K156 CarbonylContact O-C 3.52Å; I153-K156 WeakPolarHBondContact O-CA 3.3Å; I153-K156 PolarHBondContact O-N 2.83Å; I153-N157 HydrophobicContact CG2-CB 4.44Å; I153-N157 WeakPolarHBondContact O-CB 3.35Å; I153-N157 PolarHBondContact O-N 3.1Å
154G29.8Very low38.1Very low4 Ų4102.5 Ų102.54%0.04153%0.533CS..Hα-helixtrans-61.9-35.2177.100000114.2D150 K156 N157 N158D150-G154 WeakPolarHBondContact O-CA 2.89Å; D150-G154 PolarHBondContact O-N 3.05Å; G154-K156 PolarHBondContact O-N 2.84Å; G154-N157 CarbonylContact C-O 3.47Å; G154-N157 WeakPolarHBondContact CA-O 3.37Å; G154-N157 CarbonylContact O-C 3.52Å; G154-N157 PolarHBondContact O-N 3.16Å; G154-N157 VanDerWaalsContact O-O 3.12Å; G154-N158 WeakPolarHBondContact O-CA 3.5Å; G154-N158 PolarHBondContact O-N 3.06Å; G154-N158 VanDerWaalsContact O-N 3.09Å
155Y30Very low36.6Very low201 Ų201104.1 Ų104.179%0.78855%0.547SS*.THydrogen-bonded Turntrans-68.7-22.6171.2-92.8-70.8000113R151 I153R151-Y155 WeakPolarHBondContact O-CD2 3.37Å; R151-Y155 PolarHBondContact O-N 3.13Å; R151-Y155 VanDerWaalsContact O-N 3.08Å; I153-Y155 VanDerWaalsContact C-N 3.33Å; I153-Y155 PolarHBondContact O-N 2.76Å
156K34Very low35.1Very low187 Ų187108.1 Ų108.181%0.81356%0.563SS**THydrogen-bonded Turntrans-90.9-26.5166.8-94.9-174.5173.2178.70113.4I153 G154I153-K156 CarbonylContact O-C 3.52Å; I153-K156 WeakPolarHBondContact O-CA 3.3Å; I153-K156 PolarHBondContact O-N 2.83Å; G154-K156 PolarHBondContact O-N 2.84Å
157N33Very low33.9Very low61 Ų61111.7 Ų111.733%0.32657%0.574SS.*SBendtrans-138.288-173.8-68.3-30.7000107.8I153 G154 L159 N253I153-N157 HydrophobicContact CG2-CB 4.44Å; I153-N157 WeakPolarHBondContact O-CB 3.35Å; I153-N157 PolarHBondContact O-N 3.1Å; G154-N157 CarbonylContact C-O 3.47Å; G154-N157 WeakPolarHBondContact CA-O 3.37Å; G154-N157 CarbonylContact O-C 3.52Å; G154-N157 PolarHBondContact O-N 3.16Å; G154-N157 VanDerWaalsContact O-O 3.12Å; N157-L159 VanDerWaalsContact C-N 3.25Å; N157-L159 HydrophobicContact CB-CD1 4.27Å; N157-L159 HydrophobicContact CB-CG 4.37Å; N157-L159 WeakPolarHBondContact O-CB 3.18Å; N157-L159 WeakPolarHBondContact O-CG 3.34Å; N157-L159 PolarHBondContact O-N 3.24Å; N157-N253 VanDerWaalsContact CG-ND2 3.27Å; N157-N253 PolarHBondContact OD1-ND2 2.89Å
158N29.1Very low32.8Very low138 Ų138111.6 Ų111.674%0.73858%0.578SS**  trans-43.570.3-177.2-69.8-38.2000116.3G154G154-N158 WeakPolarHBondContact O-CA 3.5Å; G154-N158 PolarHBondContact O-N 3.06Å; G154-N158 VanDerWaalsContact O-N 3.09Å
159L29.1Very low32Very low53 Ų53117.8 Ų117.828%0.27760%0.603SS.*  trans-100.2-10.7-172.8-73.1168.9000113N157 C161 I162N157-L159 VanDerWaalsContact C-N 3.25Å; N157-L159 HydrophobicContact CB-CD1 4.27Å; N157-L159 HydrophobicContact CB-CG 4.37Å; N157-L159 WeakPolarHBondContact O-CB 3.18Å; N157-L159 WeakPolarHBondContact O-CG 3.34Å; N157-L159 PolarHBondContact O-N 3.24Å; L159-C161 PolarHBondContact O-N 3.15Å; L159-I162 HydrophobicContact CD2-CD1 3.21Å; L159-I162 HydrophobicContact CD2-CG1 4.28Å; L159-I162 HydrophobicContact CG-CD1 4.43Å; L159-I162 PolarHBondContact O-N 3.34Å
160N28.3Very low31.5Very low115 Ų115118.7 Ų118.762%0.61561%0.608SS**THydrogen-bonded Turntrans-64.28.2177.9-78.8-14.4000114.8
161C30.7Very low31Very low80 Ų80126.5 Ų126.554%0.54163%0.634SS.*THydrogen-bonded Turntrans-117.74.4-179.9-64.20000114.3L159 G163L159-C161 PolarHBondContact O-N 3.15Å; C161-G163 PolarHBondContact O-N 2.71Å; C161-G163 VanDerWaalsContact O-N 3.16Å
162I32.7Very low31Very low95 Ų95125.4 Ų125.449%0.48764%0.637SS.*  trans-84.888.4-177.8-56.2-175.2000110.7L159L159-I162 HydrophobicContact CD2-CD1 3.21Å; L159-I162 HydrophobicContact CD2-CG1 4.28Å; L159-I162 HydrophobicContact CG-CD1 4.43Å; L159-I162 PolarHBondContact O-N 3.34Å
163G28.9Very low31.1Very low49 Ų49128 Ų12851%0.50564%0.637SS.*  trans-76.2129.2154.300000109.2C161 T165C161-G163 PolarHBondContact O-N 2.71Å; C161-G163 VanDerWaalsContact O-N 3.16Å; G163-T165 PolarHBondContact O-N 2.98Å; G163-T165 VanDerWaalsContact O-N 3.08Å
164S31.3Very low30.9Very low120 Ų120130.8 Ų130.884%0.83965%0.653SS**  trans-51.4111.3173.7175.30000110.6
165T31.1Very low31.1Very low129 Ų129136.8 Ų136.879%0.79168%0.678SS**  trans-137.6128.8165.636.30000109.5G163G163-T165 PolarHBondContact O-N 2.98Å; G163-T165 VanDerWaalsContact O-N 3.08Å
166K31.9Very low31.4Very low198 Ų198131.6 Ų131.686%0.86167%0.671SS**  trans-53.1138.3-170.4-69.2173.8174.71790111.9T168K166-T168 PolarHBondContact O-N 3.25Å; K166-T168 VanDerWaalsContact O-N 3.15Å
167Y34.5Very low31.5Very low184 Ų184131.4 Ų131.472%0.72267%0.673SS**  trans-54.5108.7178.1-61.4-88000111.8
168T29.2Very low31.4Very low126 Ų126135 Ų13577%0.77369%0.688SS**  trans-97.7115.6158.92.50000107.6K166 V170K166-T168 PolarHBondContact O-N 3.25Å; K166-T168 VanDerWaalsContact O-N 3.15Å; T168-V170 PolarHBondContact O-N 2.7Å
169Q29.8Very low31.4Very low194 Ų194138.4 Ų138.491%0.90770%0.696SS**  trans-64.7111174.1-72.9174-16.900108.8
170V29.6Very low31.5Very low94 Ų94146.7 Ų146.757%0.5772%0.724SS**PPolyproline II helixtrans-102.1127.4172-172.40000107.9T168 Q172T168-V170 PolarHBondContact O-N 2.7Å; V170-Q172 PolarHBondContact O-N 2.93Å
171Y29.4Very low31.6Very low229 Ų229146.4 Ų146.490%0.89873%0.728SS**PPolyproline II helixtrans-54.4119.8-179.5-87.1-95000111.3Y173Y171-Y173 PolarHBondContact O-N 3.42Å
172Q31.3Very low31.6Very low153 Ų153154.5 Ų154.572%0.71575%0.748SS**PPolyproline II helixtrans-70.3123.4177.2-84.4178.7-38.200111.1V170 L257V170-Q172 PolarHBondContact O-N 2.93Å; Q172-L257 HydrophobicContact CG-CD1 4.09Å
173Y33.7Very low31.5Very low207 Ų207157.9 Ų157.981%0.81277%0.765SS**PPolyproline II helixtrans-76.9141.4165.9-139.8-97.6000109.9Y171 F175Y171-Y173 PolarHBondContact O-N 3.42Å; Y173-F175 WeakPolarHBondContact O-CD2 3.43Å; Y173-F175 PolarHBondContact O-N 3.42Å
174D31.6Very low31.5Very low130 Ų130158.9 Ų158.970%0.69577%0.769SS**  trans-78.2100.5-171.9-168-8.2000111.5S176D174-S176 PolarHBondContact O-N 2.64Å; D174-S176 VanDerWaalsContact OD1-CB 3.28Å; D174-S176 WeakPolarHBondContact OD1-CB 3.41Å; D174-S176 PolarHBondContact OD1-N 3.08Å; D174-S176 PolarHBondContact OD1-OG 3.44Å; D174-S176 VanDerWaalsContact OD1-OG 3.06Å
175F34.3Very low31.5Very low129 Ų129159 Ų15957%0.56677%0.766SS**  trans-84.222.1179.3-78.8-84.5000113.9Y173 Q177 E178Y173-F175 WeakPolarHBondContact O-CD2 3.43Å; Y173-F175 PolarHBondContact O-N 3.42Å; F175-Q177 PolarHBondContact O-N 3.08Å; F175-E178 PolarHBondContact O-N 3.2Å
176S36.5Very low31.3Very low93 Ų93163.3 Ų163.365%0.6577%0.768SS**THydrogen-bonded Turntrans-59.2-11.6-175.652.20000115.6D174D174-S176 PolarHBondContact O-N 2.64Å; D174-S176 VanDerWaalsContact OD1-CB 3.28Å; D174-S176 WeakPolarHBondContact OD1-CB 3.41Å; D174-S176 PolarHBondContact OD1-N 3.08Å; D174-S176 PolarHBondContact OD1-OG 3.44Å; D174-S176 VanDerWaalsContact OD1-OG 3.06Å
177Q35.6Very low31.4Very low182 Ų182163 Ų16385%0.8577%0.767SS**THydrogen-bonded Turntrans-101.7-12.5-179.3-67.7-84.3-18.700114.9F175F175-Q177 PolarHBondContact O-N 3.08Å
178E30.1Very low31.2Very low138 Ų138161.7 Ų161.765%0.64577%0.773SS**SBendtrans-91.4116.3-178.3-73.8-171.1169.800111.6F175 R180F175-E178 PolarHBondContact O-N 3.2Å; E178-R180 PolarHBondContact O-N 3.45Å
179K29.8Very low31.2Very low208 Ų208161.4 Ų161.490%0.90477%0.765SS**  trans-55.3108.8170.3-82.9-177.9177.7175.10108.5
180R30.9Very low31.4Very low228 Ų228157.4 Ų157.486%0.8676%0.756SS**  trans-49.8126.7179.4-67.3-173.7-175.4-164.5-0110.2E178 R182E178-R180 PolarHBondContact O-N 3.45Å; R180-R182 PolarHBondContact O-N 3.38Å
181P32Very low31.8Very low108 Ų108157.6 Ų157.670%0.70175%0.754SS**  trans-56.7136.5173.2-20.130.1000109.3I183P181-I183 VanDerWaalsContact C-N 3.33Å; P181-I183 PolarHBondContact O-N 3.27Å
182R29.4Very low31.9Very low251 Ų251154.7 Ų154.795%0.94774%0.742SS**  trans-65.491.5177-75.4179.4174.5176.8-2.4109.2R180 A184R180-R182 PolarHBondContact O-N 3.38Å; R182-A184 PolarHBondContact O-N 2.85Å; R182-A184 VanDerWaalsContact O-N 3.09Å
183I30.4Very low32.3Very low165 Ų165155 Ų15585%0.84675%0.749SS**  trans-79.887.7173.8-59.1161.9000107.6P181P181-I183 VanDerWaalsContact C-N 3.33Å; P181-I183 PolarHBondContact O-N 3.27Å
184A29.4Very low32.5Very low71 Ų71151.9 Ų151.959%0.58774%0.741SS**SBendtrans149.9133.2147.700000109.8R182 R186R182-A184 PolarHBondContact O-N 2.85Å; R182-A184 VanDerWaalsContact O-N 3.09Å; A184-R186 PolarHBondContact O-N 2.9Å
185P32.2Very low32.5Very low121 Ų121151 Ų15179%0.78674%0.736SS**  trans-65.9109.1170.212.9-4.2000107.7F187P185-F187 PolarHBondContact O-N 3.39Å; P185-F187 VanDerWaalsContact O-N 3.15Å
186R26.9Very low32.2Very low221 Ų221150.3 Ų150.383%0.83474%0.742SS**  trans-63.8116161.6-72-173.6175.7-158.4-2.1105.1A184 N188A184-R186 PolarHBondContact O-N 2.9Å; R186-N188 PolarHBondContact O-N 3.32Å
187F33.6Very low31.9Very low192 Ų192150.9 Ų150.984%0.84275%0.745SS**  trans-45.5121170.2-70.1-87.4000107.6P185 I189P185-F187 PolarHBondContact O-N 3.39Å; P185-F187 VanDerWaalsContact O-N 3.15Å; F187-I189 PolarHBondContact O-N 2.84Å
188N30.3Very low31.7Very low156 Ų156148.7 Ų148.783%0.83474%0.739SS**  trans-59.686.9178-75.2-17.6000108.2R186 P190R186-N188 PolarHBondContact O-N 3.32Å; N188-P190 WeakPolarHBondContact O-CD 3.45Å
189I29.3Very low32Very low120 Ų120147.7 Ų147.762%0.61574%0.744SS**  trans-84.6101.8157.2-58.1175.9000103.3F187 N191F187-I189 PolarHBondContact O-N 2.84Å; I189-N191 PolarHBondContact O-N 3Å
190P34.2Very low32.2Very low109 Ų109144.9 Ų144.971%0.70874%0.739SS**THydrogen-bonded Turntrans-59.6128.3172.426.8-31.2000106.6N188N188-P190 WeakPolarHBondContact O-CD 3.45Å
191N36.3Very low32.3Very low99 Ų99141.6 Ų141.653%0.52974%0.738SS.*THydrogen-bonded Turntrans89.232.6178.9-59.4-20.7000119.2I189 D193 Q194I189-N191 PolarHBondContact O-N 3Å; N191-D193 VanDerWaalsContact C-N 3.29Å; N191-Q194 HydrophobicContact CB-CB 4.32Å
192Y33.4Very low32.5Very low168 Ų168145.9 Ų145.966%0.65975%0.749SS**SBendtrans-67.6-33162.5-147.2-92.2000112.2Q194Y192-Q194 VanDerWaalsContact C-N 3.28Å; Y192-Q194 PolarHBondContact O-N 2.96Å
193D38.9Very low32.7Very low160 Ų160141 Ų14186%0.85674%0.74SS**THydrogen-bonded Turntrans-78.9-5.6-177.3-63.1-25.8000114.1N191N191-D193 VanDerWaalsContact C-N 3.29Å
194Q38Very low32.9Very low140 Ų140140.1 Ų140.165%0.65474%0.738SS**THydrogen-bonded Turntrans-100.71.2176.5-71.6-174.6-0.300113.8N191 Y192 T196N191-Q194 HydrophobicContact CB-CB 4.32Å; Y192-Q194 VanDerWaalsContact C-N 3.28Å; Y192-Q194 PolarHBondContact O-N 2.96Å; Q194-T196 PolarHBondContact O-N 3.1Å
195I30.4Very low33Very low113 Ų113146 Ų14658%0.57975%0.75SS**  trans-8468.9169.5-46.9178.1000107.4C197I195-C197 VanDerWaalsContact C-N 3.27Å; I195-C197 PolarHBondContact O-N 2.93Å
196T29.8Very low33Very low113 Ų113145.9 Ų145.969%0.69375%0.752SS**  trans-65.995.1159.336.20000106.9Q194 D198Q194-T196 PolarHBondContact O-N 3.1Å; T196-D198 PolarHBondContact O-N 3.37Å
197C30.2Very low33.2Very low106 Ų106141 Ų14172%0.71675%0.75SS**  trans-69.272.9165.8-66.80000108.7I195 P199I195-C197 VanDerWaalsContact C-N 3.27Å; I195-C197 PolarHBondContact O-N 2.93Å; C197-P199 VanDerWaalsContact O-CD 3.27Å; C197-P199 WeakPolarHBondContact O-CD 3.5Å
198D29.6Very low33.1Very low136 Ų136140.3 Ų140.373%0.72775%0.75SS**  trans-72.9114.8161.5-88.7-34.1000107.5T196 L200T196-D198 PolarHBondContact O-N 3.37Å; D198-L200 PolarHBondContact O-N 3.4Å; D198-L200 VanDerWaalsContact O-N 3.08Å
199P36.7Very low33.4Very low116 Ų116138.8 Ų138.875%0.75375%0.746SS**SBendtrans-76.98.9-167.7-13.129.7000115C197C197-P199 VanDerWaalsContact O-CD 3.27Å; C197-P199 WeakPolarHBondContact O-CD 3.5Å
200L35Very low33.7Very low149 Ų149141.3 Ų141.378%0.7875%0.753SS**SBendtrans-121.793178.1-9682.2000108.5D198D198-L200 PolarHBondContact O-N 3.4Å; D198-L200 VanDerWaalsContact O-N 3.08Å
201D32.3Very low33.6Very low159 Ų159144.5 Ų144.585%0.8576%0.758SS**  trans168.156.8144.1-82.9-16.9000109.8L203D201-L203 PolarHBondContact O-N 2.93Å
202Q35.6Very low33.7Very low199 Ų199146 Ų14693%0.9377%0.766SS**  trans-87.645.1166.7-75.7-170.4-0.400111.8
203L33.9Very low33.7Very low147 Ų147146.5 Ų146.577%0.7777%0.774SS**SBendtrans-125.7108165.8-107.6100.7000111D201D201-L203 PolarHBondContact O-N 2.93Å
204N34.8Very low33.8Very low148 Ų148144.2 Ų144.279%0.79177%0.766SS**  trans64.754.5148.7-59.9-15.3000118.4
205K32Very low33.7Very low195 Ų195146.5 Ų146.585%0.84878%0.777SS**  trans-122.699.7150-76.4-176.2179.81730110.2C207K205-C207 PolarHBondContact O-N 3.42Å
206S32Very low34.3Very low118 Ų118149.7 Ų149.783%0.82578%0.781SS**  trans-49.3102.3162.349.60000108.2E208S206-E208 PolarHBondContact O-N 3.46Å; S206-E208 VanDerWaalsContact O-N 3.15Å
207C31.8Very low35.2Very low117 Ų117146.8 Ų146.879%0.79177%0.765SS**  trans-66.2114.6174-65.80000106.5K205 T209K205-C207 PolarHBondContact O-N 3.42Å; C207-T209 PolarHBondContact O-N 2.95Å
208E31.6Very low36.5Very low178 Ų178147.5 Ų147.583%0.83277%0.768SS**  trans-53.3108.1168.7-76.6179.616000107.5S206 K210S206-E208 PolarHBondContact O-N 3.46Å; S206-E208 VanDerWaalsContact O-N 3.15Å; E208-K210 PolarHBondContact O-N 3.37Å
209T35.8Very low37.2Very low125 Ų125143 Ų14377%0.76775%0.746SS**  trans-59.691.5166.425.40000106.7C207 H211C207-T209 PolarHBondContact O-N 2.95Å; T209-H211 VanDerWaalsContact C-N 3.28Å; T209-H211 PolarHBondContact O-N 3.24Å
210K35.1Very low37.8Very low173 Ų173142.6 Ų142.675%0.75274%0.736SS**  trans-54.7106.1157-73.7-173.2177.6-177.90104.8E208 N212E208-K210 PolarHBondContact O-N 3.37Å; K210-N212 PolarHBondContact O-N 2.97Å
211H33.2Very low38.2Very low176 Ų176139.8 Ų139.882%0.81572%0.719SS**  trans-58.980.3164.4-92.7-75.7000106.4T209 E213T209-H211 VanDerWaalsContact C-N 3.28Å; T209-H211 PolarHBondContact O-N 3.24Å; H211-E213 PolarHBondContact O-N 3.27Å
212N38.1Very low38.8Very low131 Ų131135.4 Ų135.470%0.70169%0.693SS**  trans-6792.2159.5-71.3-17000103.2K210 V214K210-N212 PolarHBondContact O-N 2.97Å; N212-V214 VanDerWaalsContact C-N 3.26Å; N212-V214 PolarHBondContact O-N 3.42Å
213E34.1Very low39.3Very low178 Ų178130.5 Ų130.583%0.83267%0.67SS**  trans-49.1104161.1-76.3-175.4153.700105.5H211 Q215H211-E213 PolarHBondContact O-N 3.27Å; E213-Q215 PolarHBondContact O-N 3.44Å
214V40.9Very low39.9Very low112 Ų112126 Ų12668%0.67965%0.654SS**  trans-6692.9177.8176.90000105N212 W216N212-V214 VanDerWaalsContact C-N 3.26Å; N212-V214 PolarHBondContact O-N 3.42Å; V214-W216 PolarHBondContact O-N 3.38Å
215Q36Very low40Very low188 Ų188122.1 Ų122.188%0.87965%0.649SS**  trans-69.6101.2175-153.7178.221.400105.8E213E213-Q215 PolarHBondContact O-N 3.44Å
216W41.1Very low40.2Very low179 Ų179116.6 Ų116.668%0.67863%0.628SS**  trans-55.5142.1177.2-76.685.5000109.5V214 Q223V214-W216 PolarHBondContact O-N 3.38Å; W216-Q223 HydrophobicContact CE3-CG 4.24Å
217P50.6Low40.7Very low53 Ų53115.2 Ų115.234%0.34462%0.617SS.*  trans-51.6137.5174.5-22.830.2000110.4T219 E222 Q223P217-T219 PolarHBondContact O-N 3.17Å; P217-E222 HydrophobicContact CB-CB 3.4Å; P217-E222 VanDerWaalsContact CB-CB 3.4Å; P217-E222 HydrophobicContact CB-CG 4.46Å; P217-E222 HydrophobicContact CG-CB 4.2Å; P217-Q223 HydrophobicContact CB-CG 4.32Å; P217-Q223 VanDerWaalsContact O-CG 3.27Å; P217-Q223 WeakPolarHBondContact O-CG 3.23Å; P217-Q223 PolarHBondContact O-NE2 2.91Å
218P55.9Low41.1Very low120 Ų120113.6 Ų113.678%0.77960%0.6SS**SBendtrans-69.3-20.7-168.726.1-34.6000113.4
219T44.9Very low41.6Very low43 Ų43113.3 Ų113.326%0.26460%0.596SS.*SBendtrans-105139-176.763.20000111.8P217 Q221 E222 Q223 I228P217-T219 PolarHBondContact O-N 3.17Å; T219-Q221 PolarHBondContact O-N 2.71Å; T219-Q221 VanDerWaalsContact O-N 3.15Å; T219-E222 PolarHBondContact O-N 2.9Å; T219-E222 WeakPolarHBondContact OG1-CB 3.17Å; T219-E222 WeakPolarHBondContact OG1-CG 3.44Å; T219-E222 PolarHBondContact OG1-N 2.94Å; T219-E222 PolarHBondContact OG1-OE2 3.35Å; T219-Q223 WeakPolarHBondContact O-CG 3.37Å; T219-Q223 PolarHBondContact O-N 3.16Å; T219-I228 HydrophobicContact CG2-CD1 4.18Å
220I48.9Very low41.4Very low107 Ų107115.3 Ų115.355%0.54959%0.591SS.*Hα-helixtrans-56.2-33.1-180-62.3169.7000110.8A224 W299I220-A224 PolarHBondContact O-N 3.4Å; I220-A224 VanDerWaalsContact O-N 3.11Å; I220-W299 HydrophobicContact CG2-CH2 3.92Å; I220-W299 HydrophobicContact CG2-CZ2 4.13Å
221Q44.2Very low41.6Very low90 Ų90112.8 Ų112.842%0.42159%0.592SS.*Hα-helixtrans-65.7-47.8176.9-64.485-9.700111.8T219 Q223 A224 G225 I226 I228T219-Q221 PolarHBondContact O-N 2.71Å; T219-Q221 VanDerWaalsContact O-N 3.15Å; Q221-Q223 VanDerWaalsContact C-N 3.33Å; Q221-Q223 PolarHBondContact O-N 3.49Å; Q221-A224 CarbonylContact O-C 3.46Å; Q221-A224 PolarHBondContact O-N 3.3Å; Q221-A224 VanDerWaalsContact O-N 3.15Å; Q221-G225 PolarHBondContact O-N 2.77Å; Q221-I226 CarbonylContact C-O 3.56Å; Q221-I226 HydrophobicContact CB-CB 4.14Å; Q221-I226 HydrophobicContact CB-CG2 4.47Å; Q221-I226 WeakPolarHBondContact O-CA 3.33Å; Q221-I226 VanDerWaalsContact O-CB 3.3Å; Q221-I226 WeakPolarHBondContact O-CB 3.33Å; Q221-I226 PolarHBondContact O-N 3.4Å; Q221-I228 HydrophobicContact CB-CG2 3.67Å; Q221-I228 HydrophobicContact CG-CG2 3.93Å
222E44Very low41.6Very low66 Ų66106.7 Ų106.731%0.30858%0.577SS.*Hα-helixtrans-66.5-35.1177.4-71.9168.8157.500111.9P217 T219 A224 G225 I228P217-E222 HydrophobicContact CB-CB 3.4Å; P217-E222 VanDerWaalsContact CB-CB 3.4Å; P217-E222 HydrophobicContact CB-CG 4.46Å; P217-E222 HydrophobicContact CG-CB 4.2Å; T219-E222 PolarHBondContact O-N 2.9Å; T219-E222 WeakPolarHBondContact OG1-CB 3.17Å; T219-E222 WeakPolarHBondContact OG1-CG 3.44Å; T219-E222 PolarHBondContact OG1-N 2.94Å; T219-E222 PolarHBondContact OG1-OE2 3.35Å; E222-A224 PolarHBondContact O-N 3Å; E222-G225 WeakPolarHBondContact O-CA 3.17Å; E222-G225 PolarHBondContact O-N 3.19Å; E222-I228 HydrophobicContact CG-CD1 4.48Å; E222-I228 HydrophobicContact CG-CG1 4.26Å
223Q46.8Very low41.5Very low96 Ų96108.6 Ų108.645%0.44958%0.582SS.*Hα-helixtrans-63.4-31.2173.4-66.1178.87.600112.4W216 P217 T219 Q221 G225W216-Q223 HydrophobicContact CE3-CG 4.24Å; P217-Q223 HydrophobicContact CB-CG 4.32Å; P217-Q223 VanDerWaalsContact O-CG 3.27Å; P217-Q223 WeakPolarHBondContact O-CG 3.23Å; P217-Q223 PolarHBondContact O-NE2 2.91Å; T219-Q223 WeakPolarHBondContact O-CG 3.37Å; T219-Q223 PolarHBondContact O-N 3.16Å; Q221-Q223 VanDerWaalsContact C-N 3.33Å; Q221-Q223 PolarHBondContact O-N 3.49Å; Q223-G225 VanDerWaalsContact C-N 3.25Å; Q223-G225 PolarHBondContact O-N 3.46Å
224A46.3Very low41.9Very low52 Ų52102.3 Ų102.343%0.4356%0.557SS.*THydrogen-bonded Turntrans-82.42.6171.800000113.4I220 Q221 E222 I226I220-A224 PolarHBondContact O-N 3.4Å; I220-A224 VanDerWaalsContact O-N 3.11Å; Q221-A224 CarbonylContact O-C 3.46Å; Q221-A224 PolarHBondContact O-N 3.3Å; Q221-A224 VanDerWaalsContact O-N 3.15Å; E222-A224 PolarHBondContact O-N 3Å; A224-I226 HydrophobicContact CB-CD1 4.18Å; A224-I226 HydrophobicContact CB-CG1 4.26Å
225G37.1Very low41.8Very low67 Ų67105.4 Ų105.469%0.69156%0.564SS**THydrogen-bonded Turntrans78.514.4-17800000114.7Q221 E222 Q223Q221-G225 PolarHBondContact O-N 2.77Å; E222-G225 WeakPolarHBondContact O-CA 3.17Å; E222-G225 PolarHBondContact O-N 3.19Å; Q223-G225 VanDerWaalsContact C-N 3.25Å; Q223-G225 PolarHBondContact O-N 3.46Å
226I35.7Very low42Very low80 Ų80100.9 Ų100.941%0.4155%0.55SS..  trans-90.1108.9-179.7-55.7171.7000108.7Q221 A224 I228Q221-I226 CarbonylContact C-O 3.56Å; Q221-I226 HydrophobicContact CB-CB 4.14Å; Q221-I226 HydrophobicContact CB-CG2 4.47Å; Q221-I226 WeakPolarHBondContact O-CA 3.33Å; Q221-I226 VanDerWaalsContact O-CB 3.3Å; Q221-I226 WeakPolarHBondContact O-CB 3.33Å; Q221-I226 PolarHBondContact O-N 3.4Å; A224-I226 HydrophobicContact CB-CD1 4.18Å; A224-I226 HydrophobicContact CB-CG1 4.26Å; I226-I228 PolarHBondContact O-N 2.95Å; I226-I228 VanDerWaalsContact O-N 3.12Å
227C42Very low42.1Very low88 Ų8897.8 Ų97.860%0.59554%0.542SS*.  trans-75.598.8177.4-168.20000110.5K229C227-K229 VanDerWaalsContact C-N 3.32Å; C227-K229 PolarHBondContact O-N 3.43Å
228I40.6Very low41.9Very low83 Ų83100.7 Ų100.743%0.42656%0.564SS.*THydrogen-bonded Turntrans-77-11.7-179.645.3170.2000114.5T219 Q221 E222 I226T219-I228 HydrophobicContact CG2-CD1 4.18Å; Q221-I228 HydrophobicContact CB-CG2 3.67Å; Q221-I228 HydrophobicContact CG-CG2 3.93Å; E222-I228 HydrophobicContact CG-CD1 4.48Å; E222-I228 HydrophobicContact CG-CG1 4.26Å; I226-I228 PolarHBondContact O-N 2.95Å; I226-I228 VanDerWaalsContact O-N 3.12Å
229K42Very low41.3Very low172 Ų17298.4 Ų98.475%0.74856%0.555SS**THydrogen-bonded Turntrans-106.623.6-179.1-66.6-172.6-178.4177.70114.1C227C227-K229 VanDerWaalsContact C-N 3.32Å; C227-K229 PolarHBondContact O-N 3.43Å
230Y31.5Very low41.2Very low167 Ų167102.1 Ų102.166%0.65557%0.565SS**  trans-78.2121.3165.3-134.4-100.2000107.8
231P40.5Very low41Very low120 Ų120103.1 Ų103.178%0.77958%0.576SS**  cis-128.99149.435.6-17.7000111.6
232G33.1Very low41.2Very low48 Ų48104 Ų10450%0.49558%0.579SS.*PPolyproline II helixtrans-74.6138.5162.200000109.5S234G232-S234 PolarHBondContact O-N 2.84Å; G232-S234 VanDerWaalsContact O-N 3.1Å
233E36.5Very low41.2Very low172 Ų172103.6 Ų103.680%0.80458%0.582SS**PPolyproline II helixtrans-54.1116.3171.6-65.9-175157.800109
234S40.9Very low41.1Very low45 Ų45106.3 Ų106.332%0.31560%0.6SS.*PPolyproline II helixtrans-67.715017562.10000109.4G232 T236 H237G232-S234 PolarHBondContact O-N 2.84Å; G232-S234 VanDerWaalsContact O-N 3.1Å; S234-T236 PolarHBondContact O-N 2.99Å; S234-T236 PolarHBondContact OG-OG1 3.04Å; S234-H237 WeakPolarHBondContact O-CB 3.33Å; S234-H237 PolarHBondContact O-N 3.37Å; S234-H237 PolarHBondContact OG-N 3.02Å
235E39Very low41.1Very low177 Ų177111.4 Ų111.483%0.82761%0.614SS**Hα-helixtrans-52.1-25.5171.9-72.4-178.4157.700112.6S238E235-S238 PolarHBondContact O-OG 3.23Å
236T41.3Very low41.5Very low94 Ų94112.3 Ų112.358%0.57761%0.609SS**Hα-helixtrans-79.6-16.317651.10000114.1S234 A239 Y240S234-T236 PolarHBondContact O-N 2.99Å; S234-T236 PolarHBondContact OG-OG1 3.04Å; T236-A239 CarbonylContact O-C 3.4Å; T236-A239 PolarHBondContact O-N 3.33Å; T236-Y240 VanDerWaalsContact O-CB 3.27Å; T236-Y240 WeakPolarHBondContact O-CB 3.46Å; T236-Y240 PolarHBondContact O-N 3.17Å
237H43.1Very low41.9Very low113 Ų113111 Ų11152%0.52360%0.604SS.*Hα-helixtrans-65.5-45.5-180-171.921.5000111S234 A239 Y240S234-H237 WeakPolarHBondContact O-CB 3.33Å; S234-H237 PolarHBondContact O-N 3.37Å; S234-H237 PolarHBondContact OG-N 3.02Å; H237-A239 VanDerWaalsContact C-N 3.31Å; H237-A239 PolarHBondContact O-N 2.98Å; H237-Y240 PolarHBondContact O-N 3.3Å
238S46.6Very low42.3Very low114 Ų114110.3 Ų110.380%0.79760%0.601SS**Hα-helixtrans-69.9-27.9175.750.10000112.7E235E235-S238 PolarHBondContact O-OG 3.23Å
239A42.3Very low42.6Very low72 Ų72109.3 Ų109.360%0.59559%0.594SS**Hα-helixtrans-85.4-15.1176.500000114.1T236 H237 T241T236-A239 CarbonylContact O-C 3.4Å; T236-A239 PolarHBondContact O-N 3.33Å; H237-A239 VanDerWaalsContact C-N 3.31Å; H237-A239 PolarHBondContact O-N 2.98Å; A239-T241 PolarHBondContact O-N 2.76Å; A239-T241 VanDerWaalsContact O-N 3.07Å
240Y42Very low43Very low121 Ų121104.3 Ų104.348%0.47558%0.578SS.*  trans-76.1100-179.1-179.2-98.3000109.9T236 H237 K242 P243T236-Y240 VanDerWaalsContact O-CB 3.27Å; T236-Y240 WeakPolarHBondContact O-CB 3.46Å; T236-Y240 PolarHBondContact O-N 3.17Å; H237-Y240 PolarHBondContact O-N 3.3Å; Y240-K242 HydrophobicContact CE1-CB 4.18Å; Y240-K242 PolarHBondContact O-N 3.45Å; Y240-P243 WeakPolarHBondContact OH-CD 3.49Å
241T45.8Very low43.5Very low128 Ų128101.6 Ų101.679%0.78557%0.574SS**  trans-81113.1167.9-22.10000108.3A239A239-T241 PolarHBondContact O-N 2.76Å; A239-T241 VanDerWaalsContact O-N 3.07Å
242K47.2Very low43.8Very low109 Ų10997.6 Ų97.647%0.47455%0.548SS..  trans-57.1134.1175.1172.5174.7164.9161.70110Y240 N244 N267Y240-K242 HydrophobicContact CE1-CB 4.18Å; Y240-K242 PolarHBondContact O-N 3.45Å; K242-N244 PolarHBondContact O-N 3.49Å; K242-N267 VanDerWaalsContact CD-OD1 3.25Å; K242-N267 WeakPolarHBondContact CD-OD1 3.47Å; K242-N267 VanDerWaalsContact CE-CG 3.43Å; K242-N267 WeakPolarHBondContact CE-ND2 3.46Å; K242-N267 WeakPolarHBondContact CE-OD1 3.3Å; K242-N267 VanDerWaalsContact NZ-CG 3.31Å; K242-N267 PolarHBondContact NZ-ND2 3.15Å; K242-N267 PolarHBondContact NZ-OD1 3.18Å
243P43.9Very low44.1Very low58 Ų58101 Ų10138%0.37755%0.554SS.*  trans-59.6133.3172.5-20.830.9000110.9Y240 H245 V247Y240-P243 WeakPolarHBondContact OH-CD 3.49Å; P243-H245 PolarHBondContact O-N 2.75Å; P243-V247 HydrophobicContact CB-CG2 4.22Å; P243-V247 HydrophobicContact CG-CG2 4.06Å
244N45.9Very low44.3Very low153 Ų15397.9 Ų97.982%0.81854%0.54SS*.SBendtrans-63.4-20.5179.7-74.2-14.2000113.3K242K242-N244 PolarHBondContact O-N 3.49Å
245H46.8Very low44.1Very low158 Ų15897.9 Ų97.973%0.73155%0.547SS*.SBendtrans-122.9148.5-178-55.1-58.4000110.4P243 V247P243-H245 PolarHBondContact O-N 2.75Å; H245-V247 PolarHBondContact O-N 3.49Å
246C45.4Very low44.3Very low87 Ų8793.1 Ų93.159%0.58853%0.525SS*.  trans-58.3123.7172.5-71.60000109.4S248C246-S248 PolarHBondContact O-N 2.91Å
247V44Very low44.5Very low51 Ų5191.7 Ų91.731%0.30951%0.513SS..  trans-69.3102.6175.8-179.70000107.6P243 H245 E249 C260 I266P243-V247 HydrophobicContact CB-CG2 4.22Å; P243-V247 HydrophobicContact CG-CG2 4.06Å; H245-V247 PolarHBondContact O-N 3.49Å; V247-E249 VanDerWaalsContact C-N 3.29Å; V247-E249 WeakPolarHBondContact CG1-O 3.3Å; V247-C260 PolarHBondContact O-SG 3.12Å; V247-I266 HydrophobicContact CB-CD1 4.33Å; V247-I266 HydrophobicContact CG1-CD1 4.3Å
248S49.2Very low44.7Very low74 Ų7490.7 Ų90.752%0.51751%0.505SS..  trans-79.7-11.9179.155.80000112.7C246 V259 C260C246-S248 PolarHBondContact O-N 2.91Å; S248-V259 CarbonylContact O-C 3.58Å; S248-V259 VanDerWaalsContact O-CA 3.28Å; S248-V259 WeakPolarHBondContact O-CA 3.44Å; S248-C260 WeakPolarHBondContact O-CB 3.16Å; S248-C260 PolarHBondContact O-N 3.47Å
249E47.8Very low44.8Very low63 Ų6390.1 Ų90.129%0.29450%0.497SS..EExtended strand (participates in β ladder)trans-142.8138.1-175.5-55.5-175.5170.200111.9V247 L257 R258 V259V247-E249 VanDerWaalsContact C-N 3.29Å; V247-E249 WeakPolarHBondContact CG1-O 3.3Å; E249-L257 HydrophobicContact CB-CD2 3.8Å; E249-R258 CarbonylContact C-O 3.03Å; E249-R258 WeakPolarHBondContact CA-O 3.07Å; E249-V259 HydrophobicContact CG-CG2 4.19Å
250V49.8Very low45Very low66 Ų6687.8 Ų87.840%0.448%0.475SS..EExtended strand (participates in β ladder)trans-123.4141.5180-136.80000110.8T252 R258 C260 I266V250-T252 PolarHBondContact O-N 3.15Å; V250-R258 PolarHBondContact N-O 3.4Å; V250-R258 PolarHBondContact O-N 3.05Å; V250-C260 WeakPolarHBondContact CG2-SG 3.47Å; V250-I266 HydrophobicContact CG1-CD1 4.27Å; V250-I266 HydrophobicContact CG2-CD1 3.84Å
251L42.8Very low45.2Very low110 Ų11088.7 Ų88.758%0.57648%0.482SS*.EExtended strand (participates in β ladder)trans-71.6119.5168.3-95.9138.2000109.8G255 L257L251-G255 WeakPolarHBondContact CD2-O 3.19Å; L251-L257 HydrophobicContact CG-CG 4.25Å
252T46.8Very low45.1Very low36 Ų3689.2 Ų89.222%0.22149%0.487CS..  trans-67.7160.6169.159.50000110.8V250 H254 G255 Q256 R258V250-T252 PolarHBondContact O-N 3.15Å; T252-H254 PolarHBondContact O-N 3.16Å; T252-G255 PolarHBondContact O-N 2.58Å; T252-Q256 PolarHBondContact N-O 3.15Å; T252-Q256 WeakPolarHBondContact OG1-CB 3.3Å; T252-Q256 PolarHBondContact OG1-N 3.07Å; T252-Q256 VanDerWaalsContact OG1-N 3.15Å; T252-Q256 PolarHBondContact OG1-O 3.46Å; T252-R258 HydrophobicContact CG2-CB 4.32Å; T252-R258 HydrophobicContact CG2-CG 3.83Å
253N39.1Very low44.7Very low119 Ų11988 Ų8864%0.63651%0.506SS*.THydrogen-bonded Turntrans-57.7-16.8172.7-70.5-12.1000113.4N157 G255N157-N253 VanDerWaalsContact CG-ND2 3.27Å; N157-N253 PolarHBondContact OD1-ND2 2.89Å; N253-G255 VanDerWaalsContact C-N 3.35Å
254H40.1Very low44.4Very low107 Ų10792 Ų9250%0.49551%0.514SS..THydrogen-bonded Turntrans-91.86.7176.7-51.7-71.8000113Y51 T252 Q256Y51-H254 PolarHBondContact OH-ND1 2.82Å; T252-H254 PolarHBondContact O-N 3.16Å; H254-Q256 VanDerWaalsContact C-N 3.35Å; H254-Q256 PolarHBondContact O-N 3.25Å
255G36.6Very low43.8Very low46 Ų4691.5 Ų91.547%0.47451%0.507SS..SBendtrans79.111.7176.500000115.1L251 T252 N253L251-G255 WeakPolarHBondContact CD2-O 3.19Å; T252-G255 PolarHBondContact O-N 2.58Å; N253-G255 VanDerWaalsContact C-N 3.35Å
256Q44Very low43.2Very low77 Ų7787.1 Ų87.136%0.3649%0.488SS..  trans-97.9133178.1-58.4173.8-15.700110.5T252 H254T252-Q256 PolarHBondContact N-O 3.15Å; T252-Q256 WeakPolarHBondContact OG1-CB 3.3Å; T252-Q256 PolarHBondContact OG1-N 3.07Å; T252-Q256 VanDerWaalsContact OG1-N 3.15Å; T252-Q256 PolarHBondContact OG1-O 3.46Å; H254-Q256 VanDerWaalsContact C-N 3.35Å; H254-Q256 PolarHBondContact O-N 3.25Å
257L44.9Very low42.7Very low64 Ų6485 Ų8534%0.33547%0.471SS..EExtended strand (participates in β ladder)trans-71.3131.8168.6-91135.9000109.9Q172 E249 L251Q172-L257 HydrophobicContact CG-CD1 4.09Å; E249-L257 HydrophobicContact CB-CD2 3.8Å; L251-L257 HydrophobicContact CG-CG 4.25Å
258R47.1Very low42.5Very low92 Ų9287.2 Ų87.235%0.34749%0.487SS..EExtended strand (participates in β ladder)trans-134.3139.6175.7-74-167.3-178.3-172.10111.7E249 V250 T252E249-R258 CarbonylContact C-O 3.03Å; E249-R258 WeakPolarHBondContact CA-O 3.07Å; V250-R258 PolarHBondContact N-O 3.4Å; V250-R258 PolarHBondContact O-N 3.05Å; T252-R258 HydrophobicContact CG2-CB 4.32Å; T252-R258 HydrophobicContact CG2-CG 3.83Å
259V50Low41.6Very low102 Ų10291 Ų9162%0.61850%0.496SS*.EExtended strand (participates in β ladder)trans-66.5129.2177.7-170.90000111.2S248 E249S248-V259 CarbonylContact O-C 3.58Å; S248-V259 VanDerWaalsContact O-CA 3.28Å; S248-V259 WeakPolarHBondContact O-CA 3.44Å; E249-V259 HydrophobicContact CG-CG2 4.19Å
260C46.5Very low40.9Very low22 Ų2293.3 Ų93.315%0.14952%0.519CS..PPolyproline II helixtrans-63.3137.9171.2-67.60000110.4V247 S248 V250V247-C260 PolarHBondContact O-SG 3.12Å; S248-C260 WeakPolarHBondContact O-CB 3.16Å; S248-C260 PolarHBondContact O-N 3.47Å; V250-C260 WeakPolarHBondContact CG2-SG 3.47Å
261K46.3Very low40Very low140 Ų14098.4 Ų98.461%0.60954%0.539SS*.PPolyproline II helixtrans-59145.1173.5-79-178.1175.8173.90110.8G263 Y264K261-G263 PolarHBondContact O-N 3.38Å; K261-Y264 VanDerWaalsContact O-CB 3.29Å; K261-Y264 WeakPolarHBondContact O-CB 3.44Å; K261-Y264 PolarHBondContact O-N 2.93Å
262P42.1Very low39.6Very low139 Ų139100.5 Ų100.590%0.90355%0.549SS*.THydrogen-bonded Turntrans-53128.5169.4-22.231.8000110.4
263G40.2Very low38.9Very low84 Ų84107.5 Ų107.587%0.86658%0.576SS**THydrogen-bonded Turntrans98.5-10.7-174.800000115K261 Q265K261-G263 PolarHBondContact O-N 3.38Å; G263-Q265 PolarHBondContact O-N 3.5Å; G263-Q265 VanDerWaalsContact O-N 3.13Å
264Y36.2Very low38.7Very low142 Ų142107 Ų10756%0.55757%0.573SS**  trans-83.887.5176-139.8-99.5000110.4K261 I266K261-Y264 VanDerWaalsContact O-CB 3.29Å; K261-Y264 WeakPolarHBondContact O-CB 3.44Å; K261-Y264 PolarHBondContact O-N 2.93Å; Y264-I266 HydrophobicContact CD1-CG1 3.95Å; Y264-I266 HydrophobicContact CE1-CG1 4.26Å; Y264-I266 PolarHBondContact O-N 2.77Å
265Q33.2Very low38.4Very low142 Ų142110.1 Ų110.166%0.66459%0.593SS**  trans-77.9106.4163.3-74-174.3-2.600108G263 N267G263-Q265 PolarHBondContact O-N 3.5Å; G263-Q265 VanDerWaalsContact O-N 3.13Å; Q265-N267 PolarHBondContact O-N 2.9Å
266I34.2Very low38.5Very low66 Ų66111.9 Ų111.934%0.33861%0.611SS.*  trans-70.380.1160.2-55.7176.9000105.9V247 V250 Y264V247-I266 HydrophobicContact CB-CD1 4.33Å; V247-I266 HydrophobicContact CG1-CD1 4.3Å; V250-I266 HydrophobicContact CG1-CD1 4.27Å; V250-I266 HydrophobicContact CG2-CD1 3.84Å; Y264-I266 HydrophobicContact CD1-CG1 3.95Å; Y264-I266 HydrophobicContact CE1-CG1 4.26Å; Y264-I266 PolarHBondContact O-N 2.77Å
267N36.4Very low37.7Very low43 Ų43117.2 Ų117.223%0.2363%0.629CS.*  trans-146.3129.1171-109.8-39.7000110.2K242 Q265 H269K242-N267 VanDerWaalsContact CD-OD1 3.25Å; K242-N267 WeakPolarHBondContact CD-OD1 3.47Å; K242-N267 VanDerWaalsContact CE-CG 3.43Å; K242-N267 WeakPolarHBondContact CE-ND2 3.46Å; K242-N267 WeakPolarHBondContact CE-OD1 3.3Å; K242-N267 VanDerWaalsContact NZ-CG 3.31Å; K242-N267 PolarHBondContact NZ-ND2 3.15Å; K242-N267 PolarHBondContact NZ-OD1 3.18Å; Q265-N267 PolarHBondContact O-N 2.9Å; N267-H269 PolarHBondContact O-N 3.48Å
268P39.1Very low37.1Very low98 Ų98116.6 Ų116.664%0.63664%0.638SS**  trans-84.740-161.336.3-37.9000114.1
269H31Very low36.5Very low154 Ų154118.4 Ų118.471%0.71366%0.662SS**  trans-119.4139.6176-74.6-68.5000113.1N267N267-H269 PolarHBondContact O-N 3.48Å
270S32Very low35.6Very low111 Ų111120.6 Ų120.678%0.77667%0.669SS**SBendtrans71.198.1177.152.10000115.9I272S270-I272 PolarHBondContact O-N 3.22Å
271E31.9Very low34.9Very low173 Ų173126.8 Ų126.881%0.80869%0.693SS**  trans15.4107.3139.8-68.2175.7158.300114.6K273E271-K273 PolarHBondContact O-N 3.08Å
272I34.2Very low34.2Very low154 Ų154129.5 Ų129.579%0.7971%0.708SS**  trans-54.4101.7165.1-60169.1000107.1S270 L274S270-I272 PolarHBondContact O-N 3.22Å; I272-L274 HydrophobicContact CG2-CD2 4.01Å; I272-L274 HydrophobicContact CG2-CG 4.12Å; I272-L274 PolarHBondContact O-N 3.49Å; I272-L274 VanDerWaalsContact O-N 3.16Å
273K31.9Very low33.6Very low183 Ų183130.6 Ų130.680%0.79670%0.695SS**  trans-76.797.5169.5-72.1-175.5178.9179.30107.2E271E271-K273 PolarHBondContact O-N 3.08Å
274L35.9Very low33.3Very low109 Ų109135.2 Ų135.257%0.57169%0.694SS**  trans-70.9125.9170-67.7169.3000108.4I272 G276 Y277I272-L274 HydrophobicContact CG2-CD2 4.01Å; I272-L274 HydrophobicContact CG2-CG 4.12Å; I272-L274 PolarHBondContact O-N 3.49Å; I272-L274 VanDerWaalsContact O-N 3.16Å; L274-G276 PolarHBondContact O-N 3.38Å; L274-Y277 HydrophobicContact CB-CD2 4.38Å; L274-Y277 PolarHBondContact O-N 3.22Å
275D33.1Very low33.2Very low172 Ų172135.8 Ų135.892%0.9271%0.706SS**THydrogen-bonded Turntrans-55.2122.4174.4-79.2-32.5000109.8
276G38.9Very low33.3Very low82 Ų82135.4 Ų135.485%0.84571%0.709SS**THydrogen-bonded Turntrans99.3-13.4-175.300000115.6L274 G278L274-G276 PolarHBondContact O-N 3.38Å; G276-G278 PolarHBondContact O-N 3.15Å
277Y27Very low33.6Very low190 Ų190141.1 Ų141.175%0.74573%0.731SS**  trans-100.284.2174.5-87-100.6000110.5L274L274-Y277 HydrophobicContact CB-CD2 4.38Å; L274-Y277 PolarHBondContact O-N 3.22Å
278G31.6Very low33.8Very low51 Ų51145.5 Ų145.553%0.52675%0.753SS.*  trans-69.3159.9162.600000111.1G276 I280G276-G278 PolarHBondContact O-N 3.15Å; G278-I280 PolarHBondContact O-N 2.81Å
279P34.1Very low33.9Very low129 Ų129143.5 Ų143.584%0.83875%0.75SS**SBendtrans-52.6128.2176.621.5-30.8000108.7K281P279-K281 VanDerWaalsContact C-N 3.33Å; P279-K281 PolarHBondContact O-N 3.11Å
280I32.7Very low34.4Very low149 Ų149143.7 Ų143.776%0.76475%0.751SS**  trans-51.599.1-176.2-61166.8000106.8G278 Q282G278-I280 PolarHBondContact O-N 2.81Å; I280-Q282 PolarHBondContact O-N 2.76Å; I280-Q282 VanDerWaalsContact O-N 3.16Å
281K30.3Very low35.1Very low152 Ų152141 Ų14166%0.66173%0.733SS**  trans-50.2127.7157-68.9-175.5178.5-178.30103.5P279 Y283P279-K281 VanDerWaalsContact C-N 3.33Å; P279-K281 PolarHBondContact O-N 3.11Å; K281-Y283 HydrophobicContact CB-CD2 4.13Å; K281-Y283 HydrophobicContact CB-CE2 3.78Å; K281-Y283 WeakPolarHBondContact O-CD2 3.38Å; K281-Y283 PolarHBondContact O-N 2.97Å
282Q31.6Very low35.5Very low197 Ų197139.9 Ų139.992%0.92173%0.727SS**  trans-55.981.3174.2-77.6173.8-30.500108I280 E284I280-Q282 PolarHBondContact O-N 2.76Å; I280-Q282 VanDerWaalsContact O-N 3.16Å; Q282-E284 PolarHBondContact O-N 2.82Å
283Y30.5Very low36Very low162 Ų162137.6 Ų137.664%0.63571%0.71SS**  trans-72.4113.3169.1-74.2-73000103K281 L285K281-Y283 HydrophobicContact CB-CD2 4.13Å; K281-Y283 HydrophobicContact CB-CE2 3.78Å; K281-Y283 WeakPolarHBondContact O-CD2 3.38Å; K281-Y283 PolarHBondContact O-N 2.97Å; Y283-L285 PolarHBondContact O-N 2.9Å; Y283-L285 VanDerWaalsContact O-N 3.08Å
284E33Very low36.8Very low180 Ų180132.7 Ų132.784%0.84169%0.691SS**  trans-32.4118.6171-68.6-178149.300108.3Q282 N286Q282-E284 PolarHBondContact O-N 2.82Å; E284-N286 VanDerWaalsContact C-N 3.33Å; E284-N286 WeakPolarHBondContact O-CA 3.48Å; E284-N286 PolarHBondContact O-N 2.69Å
285L35.3Very low37.5Very low155 Ų155131.3 Ų131.381%0.81268%0.682SS**  trans-26.596.5-177.2-104.890.7000109.8Y283 K287Y283-L285 PolarHBondContact O-N 2.9Å; Y283-L285 VanDerWaalsContact O-N 3.08Å; L285-K287 PolarHBondContact O-N 3.08Å
286N34.7Very low38.1Very low134 Ų134126.1 Ų126.172%0.71766%0.656SS**  trans-55.8121179.4-88.7-32000105.7E284 I288E284-N286 VanDerWaalsContact C-N 3.33Å; E284-N286 WeakPolarHBondContact O-CA 3.48Å; E284-N286 PolarHBondContact O-N 2.69Å; N286-I288 PolarHBondContact O-N 3.32Å
287K40.2Very low38.3Very low185 Ų185126.1 Ų126.180%0.80463%0.632SS**  trans-34.7123.7-168.8-67.7175.8178.6176.90110L285 G289 Q290L285-K287 PolarHBondContact O-N 3.08Å; K287-G289 PolarHBondContact O-N 2.71Å; K287-Q290 PolarHBondContact O-N 3.04Å
288I40.4Very low39.5Very low136 Ų136120.2 Ų120.270%0.69762%0.615SS**THydrogen-bonded Turntrans-44-11-173.5-72.1163.8000115.1N286 I294N286-I288 PolarHBondContact O-N 3.32Å; I288-I294 WeakPolarHBondContact O-CD1 3.27Å
289G41.7Very low40.5Very low56 Ų56122.3 Ų122.358%0.57761%0.607SS**THydrogen-bonded Turntrans-85.13.4179.100000118.4K287K287-G289 PolarHBondContact O-N 2.71Å
290Q41.5Very low41.4Very low157 Ų157120.7 Ų120.773%0.73460%0.597SS**  trans-117.59.8-173.5-71.9-168.1-4.200116.9K287K287-Q290 PolarHBondContact O-N 3.04Å
291S46.2Very low42.7Very low56 Ų56117.9 Ų117.939%0.39258%0.583SS.*  trans-69140.8175.672.70000111.6Y293 I294 Q295S291-Y293 PolarHBondContact O-N 2.89Å; S291-Y293 VanDerWaalsContact O-N 3.08Å; S291-I294 PolarHBondContact O-N 3.22Å; S291-I294 WeakPolarHBondContact OG-CD1 3.49Å; S291-I294 WeakPolarHBondContact OG-CG1 3.43Å; S291-I294 PolarHBondContact OG-N 3.09Å; S291-Q295 PolarHBondContact O-N 3.02Å
292E41.7Very low43.6Very low148 Ų148113.3 Ų113.369%0.69258%0.58SS**Hα-helixtrans-51.1-32.5173.5-109.4179165.200111.9Q295 T296E292-Q295 PolarHBondContact O-N 3.4Å; E292-T296 WeakPolarHBondContact O-CB 3.43Å; E292-T296 PolarHBondContact O-N 3.25Å; E292-T296 PolarHBondContact O-OG1 2.88Å
293Y43.7Very low44.3Very low107 Ų107112.6 Ų112.642%0.4257%0.574SS.*Hα-helixtrans-63-47.1177.5-160.6-90.5000112.3S291 Q295 T296 Y297S291-Y293 PolarHBondContact O-N 2.89Å; S291-Y293 VanDerWaalsContact O-N 3.08Å; Y293-Q295 VanDerWaalsContact C-N 3.26Å; Y293-Q295 PolarHBondContact O-N 3.47Å; Y293-T296 PolarHBondContact O-N 3.35Å; Y293-Y297 HydrophobicContact CD2-CD2 4.28Å; Y293-Y297 HydrophobicContact CD2-CE2 4.44Å; Y293-Y297 HydrophobicContact CE1-CD2 4.45Å; Y293-Y297 HydrophobicContact CE2-CD2 4.21Å; Y293-Y297 HydrophobicContact CE2-CE2 4.3Å; Y293-Y297 HydrophobicContact CG-CD2 4.44Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.2Å; Y293-Y297 PolarHBondContact O-N 3.3Å; Y293-Y297 VanDerWaalsContact O-N 3.09Å
294I49Very low44.9Very low80 Ų80111.3 Ų111.341%0.4157%0.571SS.*Hα-helixtrans-66.8-31.1177.4-68.9167.3000111.3I288 S291 T296I288-I294 WeakPolarHBondContact O-CD1 3.27Å; S291-I294 PolarHBondContact O-N 3.22Å; S291-I294 WeakPolarHBondContact OG-CD1 3.49Å; S291-I294 WeakPolarHBondContact OG-CG1 3.43Å; S291-I294 PolarHBondContact OG-N 3.09Å; I294-T296 VanDerWaalsContact C-N 3.34Å
295Q50.7Low45.5Very low80 Ų80106.1 Ų106.137%0.37455%0.548SS..Hα-helixtrans-73.9-27.2177.9-65.4175.7200112.8S291 E292 Y293 N308S291-Q295 PolarHBondContact O-N 3.02Å; E292-Q295 PolarHBondContact O-N 3.4Å; Y293-Q295 VanDerWaalsContact C-N 3.26Å; Y293-Q295 PolarHBondContact O-N 3.47Å; Q295-N308 PolarHBondContact O-ND2 3.23Å
296T44.6Very low45.9Very low62 Ų62103.4 Ų103.438%0.3853%0.531SS..Hα-helixtrans-92.8-27.2-175.3-50.20000112.4E292 Y293 I294 N308E292-T296 WeakPolarHBondContact O-CB 3.43Å; E292-T296 PolarHBondContact O-N 3.25Å; E292-T296 PolarHBondContact O-OG1 2.88Å; Y293-T296 PolarHBondContact O-N 3.35Å; I294-T296 VanDerWaalsContact C-N 3.34Å; T296-N308 WeakPolarHBondContact O-CB 3.34Å; T296-N308 PolarHBondContact O-N 3.36Å
297Y44Very low46.4Very low83 Ų83102 Ų10233%0.32553%0.528SS..EExtended strand (participates in β ladder)trans-129.7124.1-172.7-60.2-78.8000111.4Y293 I305 H306 T307Y293-Y297 HydrophobicContact CD2-CD2 4.28Å; Y293-Y297 HydrophobicContact CD2-CE2 4.44Å; Y293-Y297 HydrophobicContact CE1-CD2 4.45Å; Y293-Y297 HydrophobicContact CE2-CD2 4.21Å; Y293-Y297 HydrophobicContact CE2-CE2 4.3Å; Y293-Y297 HydrophobicContact CG-CD2 4.44Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.2Å; Y293-Y297 PolarHBondContact O-N 3.3Å; Y293-Y297 VanDerWaalsContact O-N 3.09Å; Y297-I305 HydrophobicContact CD1-CG2 3.69Å; Y297-I305 HydrophobicContact CG-CG2 4.07Å; Y297-H306 WeakPolarHBondContact CA-O 3.5Å; Y297-T307 HydrophobicContact CD1-CG2 4.02Å; Y297-T307 HydrophobicContact CE1-CG2 3.59Å
298T52.8Low46.7Very low65 Ų6595.5 Ų95.540%0.39950%0.502SS..EExtended strand (participates in β ladder)trans-98.4146.6170.429.50000111.2P300 H306 N308T298-P300 VanDerWaalsContact C-CD 3.47Å; T298-P300 VanDerWaalsContact O-CD 3.24Å; T298-P300 WeakPolarHBondContact O-CD 3.21Å; T298-H306 PolarHBondContact N-O 3.07Å; T298-H306 PolarHBondContact O-N 2.79Å; T298-N308 WeakPolarHBondContact CB-OD1 2.92Å; T298-N308 WeakPolarHBondContact CG2-OD1 3.37Å; T298-N308 PolarHBondContact N-OD1 3.41Å; T298-N308 PolarHBondContact OG1-OD1 3.09Å
299W52.6Low47Very low95 Ų9594.7 Ų94.736%0.3651%0.505SS..  trans-112.979.1174.1-66.280.4000108.8I220 D301 G302 I305I220-W299 HydrophobicContact CG2-CH2 3.92Å; I220-W299 HydrophobicContact CG2-CZ2 4.13Å; W299-D301 PolarHBondContact O-N 2.72Å; W299-G302 PolarHBondContact O-N 2.96Å; W299-I305 HydrophobicContact CD2-CG1 3.89Å; W299-I305 HydrophobicContact CE3-CG1 3.86Å; W299-I305 HydrophobicContact CH2-CD1 3.48Å; W299-I305 VanDerWaalsContact CH2-CD1 3.48Å; W299-I305 HydrophobicContact CH2-CG1 3.29Å; W299-I305 HydrophobicContact CZ2-CD1 3.37Å; W299-I305 HydrophobicContact CZ2-CG1 3.29Å; W299-I305 HydrophobicContact CZ3-CD1 4.25Å; W299-I305 HydrophobicContact CZ3-CG1 3.57Å
300P53.2Low47Very low96 Ų96102.2 Ų102.262%0.62352%0.517SS*.THydrogen-bonded Turntrans-61.2-28.9-174.821.6-31.7000113.7T298 H306T298-P300 VanDerWaalsContact C-CD 3.47Å; T298-P300 VanDerWaalsContact O-CD 3.24Å; T298-P300 WeakPolarHBondContact O-CD 3.21Å; P300-H306 VanDerWaalsContact CG-CD2 3.41Å; P300-H306 WeakPolarHBondContact CG-CD2 3.24Å
301D58.9Low47.1Very low89 Ų8999.9 Ų99.948%0.47651%0.509SS..THydrogen-bonded Turntrans-119.98179.968.5-7.6000113.7W299 K303 K304W299-D301 PolarHBondContact O-N 2.72Å; D301-K303 PolarHBondContact O-N 3.22Å; D301-K303 VanDerWaalsContact O-N 3.1Å; D301-K303 PolarHBondContact OD1-N 3.36Å; D301-K304 PolarHBondContact OD1-N 2.66Å
302G49.7Very low46.8Very low57 Ų57106.9 Ų106.959%0.58853%0.527SS*.SBendtrans66.81.2-17500000115.4W299W299-G302 PolarHBondContact O-N 2.96Å
303K45.7Very low47Very low182 Ų182103.1 Ų103.179%0.79152%0.517SS*.SBendtrans-122.4-29.5-178-68.7-174.7178.8-1790113.4D301D301-K303 PolarHBondContact O-N 3.22Å; D301-K303 VanDerWaalsContact O-N 3.1Å; D301-K303 PolarHBondContact OD1-N 3.36Å
304K43.4Very low47.1Very low134 Ų134104.6 Ų104.658%0.58352%0.522SS*.SBendtrans-117.4127.5-178.4-69.9-177.7178.8178.20110.8D301D301-K304 PolarHBondContact OD1-N 2.66Å
305I45.7Very low46.7Very low71 Ų71106.6 Ų106.636%0.36453%0.53SS..  trans-82.6126.9175.9-57.8178000108.9Y297 W299Y297-I305 HydrophobicContact CD1-CG2 3.69Å; Y297-I305 HydrophobicContact CG-CG2 4.07Å; W299-I305 HydrophobicContact CD2-CG1 3.89Å; W299-I305 HydrophobicContact CE3-CG1 3.86Å; W299-I305 HydrophobicContact CH2-CD1 3.48Å; W299-I305 VanDerWaalsContact CH2-CD1 3.48Å; W299-I305 HydrophobicContact CH2-CG1 3.29Å; W299-I305 HydrophobicContact CZ2-CD1 3.37Å; W299-I305 HydrophobicContact CZ2-CG1 3.29Å; W299-I305 HydrophobicContact CZ3-CD1 4.25Å; W299-I305 HydrophobicContact CZ3-CG1 3.57Å
306H44.7Very low46.3Very low98 Ų98105.3 Ų105.345%0.45453%0.533SS..EExtended strand (participates in β ladder)trans-117.1142167.7-68.9-85.9000110Y297 T298 P300 N308Y297-H306 WeakPolarHBondContact CA-O 3.5Å; T298-H306 PolarHBondContact N-O 3.07Å; T298-H306 PolarHBondContact O-N 2.79Å; P300-H306 VanDerWaalsContact CG-CD2 3.41Å; P300-H306 WeakPolarHBondContact CG-CD2 3.24Å; H306-N308 PolarHBondContact O-N 2.54Å
307T43.7Very low46.1Very low106 Ų106108 Ų10865%0.6555%0.545SS*.EExtended strand (participates in β ladder)trans-67.1129.2167.839.10000109.3Y297Y297-T307 HydrophobicContact CD1-CG2 4.02Å; Y297-T307 HydrophobicContact CE1-CG2 3.59Å
308N47.2Very low46Very low48 Ų48111.9 Ų111.926%0.25757%0.565SS.*PPolyproline II helixtrans-61.1139.5174.2-82.4-27.3000110.4Q295 T296 T298 H306 W310Q295-N308 PolarHBondContact O-ND2 3.23Å; T296-N308 WeakPolarHBondContact O-CB 3.34Å; T296-N308 PolarHBondContact O-N 3.36Å; T298-N308 WeakPolarHBondContact CB-OD1 2.92Å; T298-N308 WeakPolarHBondContact CG2-OD1 3.37Å; T298-N308 PolarHBondContact N-OD1 3.41Å; T298-N308 PolarHBondContact OG1-OD1 3.09Å; H306-N308 PolarHBondContact O-N 2.54Å; N308-W310 PolarHBondContact O-N 3.5Å
309P47.2Very low45.3Very low118 Ų118116.9 Ų116.977%0.76658%0.582SS**PPolyproline II helixtrans-57.6132.2173.520.8-28.9000110N311P309-N311 PolarHBondContact O-N 2.97Å
310W41.1Very low44.6Very low215 Ų215122 Ų12281%0.81460%0.603SS**  trans-57.3114.9-170.7-168.9-95.3000112.1N308 R312N308-W310 PolarHBondContact O-N 3.5Å; W310-R312 PolarHBondContact O-N 2.66Å
311N44.2Very low43.8Very low108 Ų108120.4 Ų120.458%0.57860%0.603SS**  trans-87.797.1-178.9-169.6-8.1000111P309 S313 R314P309-N311 PolarHBondContact O-N 2.97Å; N311-S313 VanDerWaalsContact CG-OG 3.24Å; N311-S313 PolarHBondContact ND2-OG 3.41Å; N311-S313 PolarHBondContact O-N 2.95Å; N311-S313 VanDerWaalsContact O-N 3.09Å; N311-S313 WeakPolarHBondContact OD1-CB 3.49Å; N311-S313 PolarHBondContact OD1-N 2.75Å; N311-S313 PolarHBondContact OD1-OG 3.32Å; N311-R314 PolarHBondContact O-N 3.17Å
312R39.2Very low42.5Very low202 Ų202122.5 Ų122.576%0.76262%0.619SS**THydrogen-bonded Turntrans-59.5-17.1-179.1-71.8-173.9-178.7170.90.2115W310 R314 E315W310-R312 PolarHBondContact O-N 2.66Å; R312-R314 PolarHBondContact O-N 3.33Å; R312-R314 VanDerWaalsContact O-N 3.07Å; R312-E315 PolarHBondContact O-N 3.31Å
313S46.3Very low41.7Very low70 Ų70132.7 Ų132.749%0.4965%0.648SS.*Hα-helixtrans-61.9-16.8179.5600000114N311N311-S313 VanDerWaalsContact CG-OG 3.24Å; N311-S313 PolarHBondContact ND2-OG 3.41Å; N311-S313 PolarHBondContact O-N 2.95Å; N311-S313 VanDerWaalsContact O-N 3.09Å; N311-S313 WeakPolarHBondContact OD1-CB 3.49Å; N311-S313 PolarHBondContact OD1-N 2.75Å; N311-S313 PolarHBondContact OD1-OG 3.32Å
314R44.1Very low41.5Very low138 Ų138130.3 Ų130.352%0.52164%0.64SS.*Hα-helixtrans-74.7-26.2177-76.7-168.2175.5-168.6-1.1115N311 R312 A316 N317N311-R314 PolarHBondContact O-N 3.17Å; R312-R314 PolarHBondContact O-N 3.33Å; R312-R314 VanDerWaalsContact O-N 3.07Å; R314-A316 PolarHBondContact O-N 3.48Å; R314-N317 PolarHBondContact O-N 3.1Å
315E41.4Very low41.4Very low121 Ų121130.1 Ų130.157%0.56564%0.643SS**Hα-helixtrans-63.5-34.1176.1-78.1177.9179.600111R312 N317 H318 F319R312-E315 PolarHBondContact O-N 3.31Å; E315-N317 VanDerWaalsContact C-N 3.32Å; E315-N317 PolarHBondContact O-N 2.93Å; E315-H318 PolarHBondContact O-N 3.42Å; E315-F319 WeakPolarHBondContact O-CD2 3.41Å
316A42.6Very low41.1Very low53 Ų53133.3 Ų133.344%0.43866%0.659SS.*Hα-helixtrans-63.9-35179.300000112.9R314 Y320R314-A316 PolarHBondContact O-N 3.48Å; A316-Y320 WeakPolarHBondContact O-CD2 3.04Å
317N40.4Very low40.9Very low119 Ų119135.4 Ų135.464%0.63667%0.671SS**Hα-helixtrans-77.5-23.8-175.2-75.2-12.1000113.8R314 E315 F319R314-N317 PolarHBondContact O-N 3.1Å; E315-N317 VanDerWaalsContact C-N 3.32Å; E315-N317 PolarHBondContact O-N 2.93Å; N317-F319 VanDerWaalsContact C-N 3.3Å; N317-F319 PolarHBondContact O-N 3.22Å
318H41.2Very low40.7Very low164 Ų164137.3 Ų137.376%0.75967%0.672SS**Hα-helixtrans-72.5-22.9176.6-89.438.7000113E315E315-H318 PolarHBondContact O-N 3.42Å
319F39Very low40.3Very low171 Ų171143.2 Ų143.275%0.7570%0.7SS**THydrogen-bonded Turntrans-80.7-17.1178.7-76.6-75.4000114.4E315 N317E315-F319 WeakPolarHBondContact O-CD2 3.41Å; N317-F319 VanDerWaalsContact C-N 3.3Å; N317-F319 PolarHBondContact O-N 3.22Å
320Y38Very low39.8Very low202 Ų202145 Ų14579%0.79270%0.695SS**THydrogen-bonded Turntrans-95-3.2-179.2-70.4-73.9000114.5A316A316-Y320 WeakPolarHBondContact O-CD2 3.04Å
321G36Very low39.7Very low62 Ų62139.6 Ų139.664%0.63969%0.686SS**SBendtrans-90.9-3.5-178.900000115.6
322V32.2Very low39.3Very low133 Ų133142.3 Ų142.381%0.80670%0.695SS**  trans-102.478.5178.6-166.20000109.1
323K31.8Very low39.4Very low272 Ų272136.8 Ų136.8100%1.18369%0.689SS**  trans-119.20151.1-82.6-171.9177.7-178.60106.4

Retrieved 323 of 323 residues in 105.5 ms (Link to these results)

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