A0A077Z4Z5_TRITR Loading...

Activator of basal transcription 1

AlphaFold DB , UniProt , Accession A0A077Z4Z5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 683 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
1M33Very low39.3Very low241 Ų241117.7 Ų117.7100%1.18778%0.777SS**  071.50-67.2-177.5163.800107.4
2S29.3Very low41.6Very low125 Ų125109.8 Ų109.887%0.87473%0.725SS**  59.9128.5113.5-800000114.6
3A28.6Very low44.2Very low81 Ų81103.4 Ų103.467%0.66969%0.687SS**  cis-174.3170.7-6.600000106.6
4N31.3Very low46.9Very low162 Ų16296.7 Ų96.787%0.86664%0.641SS**  trans102.470.6164.5-57.4-3.8000116.8
5A32.8Very low48.6Very low99 Ų9991.5 Ų91.582%0.81861%0.607SS**  trans-82.1119.4147.700000108.4T7A5-T7 PolarHBondContact O-N 3Å
6A37.3Very low50.3Low104 Ų10488 Ų8886%0.8659%0.585SS**  trans-72.3117.6176.800000110.2G8A6-G8 PolarHBondContact O-N 2.69Å
7T32.5Very low52.2Low147 Ų14783.4 Ų83.490%0.90255%0.553SS**  trans-76.992.1171.449.10000109.5A5A5-T7 PolarHBondContact O-N 3Å
8G38.2Very low53.9Low47 Ų4779.4 Ų79.449%0.48553%0.525SS..  trans-96.1143.7166.600000110.6A6A6-G8 PolarHBondContact O-N 2.69Å
9T51.4Low55.2Low93 Ų9377.1 Ų77.157%0.57151%0.506SS*.  trans-55.6146.8173.452.40000110.4S11 S12 A13T9-S11 PolarHBondContact O-N 3.5Å; T9-S11 VanDerWaalsContact O-N 3.1Å; T9-S12 PolarHBondContact N-OG 3.14Å; T9-S12 WeakPolarHBondContact O-CB 3.36Å; T9-S12 PolarHBondContact O-N 3.39Å; T9-S12 PolarHBondContact O-OG 3.5Å; T9-A13 PolarHBondContact O-N 3.36Å
10P56.5Low56.4Low109 Ų10979.8 Ų79.871%0.70851%0.505SS*.Hα-helixtrans-56.8-31.6-173.719.5-31.6000113.5A13 L14P10-A13 PolarHBondContact O-N 3.3Å; P10-L14 PolarHBondContact O-N 2.73Å; P10-L14 VanDerWaalsContact O-N 3.14Å
11S61.1Low57.8Low87 Ų8776 Ų7661%0.60848%0.481SS*.Hα-helixtrans-62.8-44.1173.5-173.50000112.7T9 A13 L14 S15T9-S11 PolarHBondContact O-N 3.5Å; T9-S11 VanDerWaalsContact O-N 3.1Å; S11-A13 VanDerWaalsContact C-N 3.33Å; S11-A13 PolarHBondContact O-N 3.47Å; S11-L14 PolarHBondContact O-N 2.85Å; S11-S15 PolarHBondContact O-N 2.66Å
12S67.2Low60Low22 Ų2268.1 Ų68.115%0.15444%0.439CS..Hα-helixtrans-65.3-36.3177.477.50000112.6T9 S16 H151T9-S12 PolarHBondContact N-OG 3.14Å; T9-S12 WeakPolarHBondContact O-CB 3.36Å; T9-S12 PolarHBondContact O-N 3.39Å; T9-S12 PolarHBondContact O-OG 3.5Å; S12-S16 WeakPolarHBondContact O-CB 3.44Å; S12-S16 PolarHBondContact O-N 3.13Å; S12-H151 PolarHBondContact O-CE1 3.45Å
13A75.7Confident62.1Low27 Ų2763.6 Ų63.622%0.22341%0.41CS..Hα-helixtrans-67.8-43.4179.500000110.8T9 P10 S11 S16 L17 M57T9-A13 PolarHBondContact O-N 3.36Å; P10-A13 PolarHBondContact O-N 3.3Å; S11-A13 VanDerWaalsContact C-N 3.33Å; S11-A13 PolarHBondContact O-N 3.47Å; A13-S16 WeakPolarHBondContact O-CB 3.33Å; A13-S16 PolarHBondContact O-N 3.18Å; A13-L17 WeakPolarHBondContact O-CG 3.31Å; A13-L17 PolarHBondContact O-N 3.41Å; A13-M57 HydrophobicContact CB-CE 3.64Å; A13-M57 HydrophobicContact CB-SD 4.46Å
14L82.2Confident64.7Low10 Ų1060.2 Ų60.25%0.05238%0.381CS..Hα-helixtrans-63.3-44.8176.9-17867.3000112.1P10 S11 S16 L17 Y18 A54 N63 L65 V66P10-L14 PolarHBondContact O-N 2.73Å; P10-L14 VanDerWaalsContact O-N 3.14Å; S11-L14 PolarHBondContact O-N 2.85Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.14Å; L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 3.44Å; L14-L17 VanDerWaalsContact O-N 3.15Å; L14-Y18 PolarHBondContact O-N 3.49Å; L14-A54 HydrophobicContact CD1-CB 3.68Å; L14-N63 HydrophobicContact CD2-CB 4.34Å; L14-N63 VanDerWaalsContact CD2-CG 3.42Å; L14-N63 WeakPolarHBondContact CD2-ND2 3.44Å; L14-L65 HydrophobicContact CD2-CB 4.33Å; L14-L65 HydrophobicContact CD2-CD1 4.46Å; L14-V66 HydrophobicContact CD1-CG2 3.64Å; L14-V66 HydrophobicContact CD2-CG2 3.95Å; L14-V66 HydrophobicContact CG-CG2 4.39Å
15S72.8Confident67.2Low18 Ų1852.5 Ų52.513%0.12634%0.34CS..Hα-helixtrans-62.1-39.4175.8-175.60000111.9S11 L17 Y18 H19 H151S11-S15 PolarHBondContact O-N 2.66Å; S15-L17 VanDerWaalsContact C-N 3.32Å; S15-L17 PolarHBondContact O-N 3.23Å; S15-Y18 WeakPolarHBondContact O-CB 3.18Å; S15-Y18 PolarHBondContact O-N 2.97Å; S15-H19 PolarHBondContact O-CD2 3.38Å; S15-H19 PolarHBondContact O-N 3.4Å; S15-H19 PolarHBondContact OG-NE2 2.97Å; S15-H151 WeakPolarHBondContact CB-NE2 3.33Å; S15-H151 PolarHBondContact OG-CE1 2.77Å; S15-H151 PolarHBondContact OG-NE2 3.19Å
16S74.8Confident69.3Low36 Ų3650 Ų5025%0.25231%0.313SS..Hα-helixtrans-60.5-40.1173.1-168.80000112.5S12 A13 L14 R20S12-S16 WeakPolarHBondContact O-CB 3.44Å; S12-S16 PolarHBondContact O-N 3.13Å; A13-S16 WeakPolarHBondContact O-CB 3.33Å; A13-S16 PolarHBondContact O-N 3.18Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.14Å; S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 VanDerWaalsContact O-CG 3.23Å; S16-R20 WeakPolarHBondContact O-CG 3.48Å; S16-R20 PolarHBondContact O-N 2.87Å; S16-R20 VanDerWaalsContact O-N 3.07Å
17L83.7Confident71.2Confident10 Ų1047 Ų475%0.05228%0.281CS..Hα-helixtrans-67.2-40.8175.1-70.7172.9000112.1A13 L14 S15 H19 R20 A21 F50 Q53 A54 M57 M69A13-L17 WeakPolarHBondContact O-CG 3.31Å; A13-L17 PolarHBondContact O-N 3.41Å; L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 3.44Å; L14-L17 VanDerWaalsContact O-N 3.15Å; S15-L17 VanDerWaalsContact C-N 3.32Å; S15-L17 PolarHBondContact O-N 3.23Å; L17-H19 PolarHBondContact O-N 3.4Å; L17-R20 PolarHBondContact O-N 3.3Å; L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 2.98Å; L17-F50 HydrophobicContact CD2-CB 4.41Å; L17-F50 HydrophobicContact CD2-CD1 3.79Å; L17-Q53 HydrophobicContact CD1-CB 4.03Å; L17-Q53 HydrophobicContact CD2-CB 4.08Å; L17-A54 HydrophobicContact CB-CB 4.13Å; L17-A54 HydrophobicContact CD1-CB 4.03Å; L17-M57 HydrophobicContact CD1-SD 3.48Å; L17-M57 WeakPolarHBondContact CD1-SD 3.47Å; L17-M69 HydrophobicContact CB-CE 4.37Å; L17-M69 WeakPolarHBondContact O-CE 3.26Å
18Y82Confident73.5Confident11 Ų1140 Ų404%0.04324%0.238CC..Hα-helixtrans-54.3-52.5174.3-178.9-90.7000111.5L14 S15 R20 A21 Y22 L65 K68 M69 F103 E104L14-Y18 PolarHBondContact O-N 3.49Å; S15-Y18 WeakPolarHBondContact O-CB 3.18Å; S15-Y18 PolarHBondContact O-N 2.97Å; Y18-R20 PolarHBondContact O-N 3.17Å; Y18-A21 PolarHBondContact O-N 2.95Å; Y18-Y22 PolarHBondContact O-N 2.84Å; Y18-L65 HydrophobicContact CD1-CD2 4.3Å; Y18-L65 HydrophobicContact CD2-CB 4.02Å; Y18-L65 HydrophobicContact CD2-CD2 3.76Å; Y18-L65 HydrophobicContact CD2-CG 4.45Å; Y18-L65 HydrophobicContact CE1-CD2 4.38Å; Y18-L65 HydrophobicContact CE2-CD2 3.84Å; Y18-L65 HydrophobicContact CG-CD2 4Å; Y18-K68 HydrophobicContact CE2-CB 4.02Å; Y18-K68 HydrophobicContact CE2-CD 4.25Å; Y18-M69 HydrophobicContact CD2-CG 3.7Å; Y18-M69 HydrophobicContact CD2-SD 4Å; Y18-M69 HydrophobicContact CE2-CG 4.34Å; Y18-M69 HydrophobicContact CG-SD 4.5Å; Y18-F103 HydrophobicContact CD2-CD1 4.11Å; Y18-F103 HydrophobicContact CD2-CE1 4.11Å; Y18-F103 HydrophobicContact CE1-CD1 4.08Å; Y18-F103 AromaticContact CE2-CD1 3.5Å; Y18-F103 HydrophobicContact CE2-CD1 3.5Å; Y18-F103 AromaticContact CE2-CE1 3.94Å; Y18-F103 HydrophobicContact CE2-CE1 3.94Å; Y18-F103 AromaticContact CZ-CD1 3.5Å; Y18-F103 VanDerWaalsContact CZ-CD1 3.5Å; Y18-E104 PolarHBondContact OH-N 2.71Å; Y18-E104 VanDerWaalsContact OH-N 3.16Å; Y18-E104 PolarHBondContact OH-O 3.19Å
19H79.5Confident75.4Confident36 Ų3638.3 Ų38.317%0.16722%0.217CC..Hα-helixtrans-67.3-36.2180-61.3-53.7000113.2S15 L17 Y22 A23 C106S15-H19 PolarHBondContact O-CD2 3.38Å; S15-H19 PolarHBondContact O-N 3.4Å; S15-H19 PolarHBondContact OG-NE2 2.97Å; L17-H19 PolarHBondContact O-N 3.4Å; H19-Y22 PolarHBondContact O-N 3.44Å; H19-A23 WeakPolarHBondContact O-CB 3.47Å; H19-A23 PolarHBondContact O-N 3.38Å; H19-C106 PolarHBondContact CE1-SG 3.31Å
20R79.2Confident76.5Confident130 Ų13039.1 Ų39.149%0.49121%0.21SC..Hα-helixtrans-66.5-41.6176-75175.8-175.4173.56.2112S16 L17 Y18 A23 C24 F50S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 VanDerWaalsContact O-CG 3.23Å; S16-R20 WeakPolarHBondContact O-CG 3.48Å; S16-R20 PolarHBondContact O-N 2.87Å; S16-R20 VanDerWaalsContact O-N 3.07Å; L17-R20 PolarHBondContact O-N 3.3Å; Y18-R20 PolarHBondContact O-N 3.17Å; R20-A23 PolarHBondContact O-N 3.14Å; R20-C24 PolarHBondContact O-N 3.15Å; R20-C24 VanDerWaalsContact O-N 3.08Å; R20-F50 HydrophobicContact CB-CD1 4.19Å; R20-F50 HydrophobicContact CB-CD2 3.7Å; R20-F50 HydrophobicContact CB-CE1 4.26Å; R20-F50 HydrophobicContact CB-CE2 3.76Å; R20-F50 HydrophobicContact CB-CG 3.92Å; R20-F50 HydrophobicContact CB-CZ 4.06Å; R20-F50 HydrophobicContact CG-CZ 4.46Å
21A84.5Confident77.6Confident0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-62.2-47.6174.800000111.2L17 Y18 A23 C24 I25 F50 I51 M69 F103L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 2.98Å; Y18-A21 PolarHBondContact O-N 2.95Å; A21-A23 PolarHBondContact O-N 3.34Å; A21-C24 PolarHBondContact O-N 3.44Å; A21-I25 VanDerWaalsContact O-CG1 3.27Å; A21-I25 WeakPolarHBondContact O-CG1 3.46Å; A21-I25 PolarHBondContact O-N 3.28Å; A21-F50 HydrophobicContact CB-CB 3.96Å; A21-I51 HydrophobicContact CB-CG1 3.84Å; A21-M69 HydrophobicContact CB-CE 3.47Å; A21-M69 VanDerWaalsContact CB-CE 3.47Å; A21-F103 HydrophobicContact CB-CE1 4.39Å; A21-F103 HydrophobicContact CB-CZ 4.18Å
22Y79.7Confident78.6Confident76 Ų7631.7 Ų31.730%0.29816%0.156SC..Hα-helixtrans-54.8-51.1176.1179.8-90.7000111.8Y18 H19 C24 I25 D26 L100 F103Y18-Y22 PolarHBondContact O-N 2.84Å; H19-Y22 PolarHBondContact O-N 3.44Å; Y22-C24 VanDerWaalsContact C-N 3.35Å; Y22-C24 PolarHBondContact O-N 3.41Å; Y22-I25 PolarHBondContact O-N 3.44Å; Y22-D26 WeakPolarHBondContact O-CB 3.35Å; Y22-D26 PolarHBondContact O-N 3.22Å; Y22-L100 HydrophobicContact CD2-CG 4.45Å; Y22-L100 HydrophobicContact CE2-CD1 4.33Å; Y22-L100 HydrophobicContact CE2-CD2 3.82Å; Y22-L100 HydrophobicContact CE2-CG 3.78Å; Y22-L100 WeakPolarHBondContact OH-CD2 3.37Å; Y22-F103 HydrophobicContact CD2-CB 3.47Å; Y22-F103 VanDerWaalsContact CD2-CB 3.47Å; Y22-F103 AromaticContact CD2-CD1 3.94Å; Y22-F103 HydrophobicContact CD2-CD1 3.94Å; Y22-F103 HydrophobicContact CD2-CD2 4.04Å; Y22-F103 AromaticContact CD2-CG 3.58Å; Y22-F103 HydrophobicContact CD2-CG 3.58Å; Y22-F103 HydrophobicContact CE2-CB 3.82Å; Y22-F103 HydrophobicContact CE2-CG 4.37Å
23A73Confident79Confident31 Ų3136.4 Ų36.426%0.25618%0.175SC..Hα-helixtrans-62.2-39.7-178.700000112.9H19 R20 A21 Q27H19-A23 WeakPolarHBondContact O-CB 3.47Å; H19-A23 PolarHBondContact O-N 3.38Å; R20-A23 PolarHBondContact O-N 3.14Å; A21-A23 PolarHBondContact O-N 3.34Å; A23-Q27 WeakPolarHBondContact O-CB 3.48Å; A23-Q27 WeakPolarHBondContact O-CG 3.44Å; A23-Q27 PolarHBondContact O-N 2.9Å; A23-Q27 VanDerWaalsContact O-N 3.09Å
24C83.6Confident78.9Confident10 Ų1040.7 Ų40.77%0.06819%0.189CC..Hα-helixtrans-66.9-40.8175.6-76.50000112.2R20 A21 Y22 Q27 A28R20-C24 PolarHBondContact O-N 3.15Å; R20-C24 VanDerWaalsContact O-N 3.08Å; A21-C24 PolarHBondContact O-N 3.44Å; Y22-C24 VanDerWaalsContact C-N 3.35Å; Y22-C24 PolarHBondContact O-N 3.41Å; C24-Q27 PolarHBondContact O-N 3.14Å; C24-A28 WeakPolarHBondContact O-CB 3.09Å; C24-A28 PolarHBondContact O-N 3.02Å
25I84.2Confident78.8Confident0 Ų042.3 Ų42.30%021%0.208CC..Hα-helixtrans-69.8-40.9179.7-66.3166.1000110.8A21 Y22 Q27 A28 I29 Y44 I51 A72 V76 A99 L100 F103A21-I25 VanDerWaalsContact O-CG1 3.27Å; A21-I25 WeakPolarHBondContact O-CG1 3.46Å; A21-I25 PolarHBondContact O-N 3.28Å; Y22-I25 PolarHBondContact O-N 3.44Å; I25-Q27 PolarHBondContact O-N 2.97Å; I25-A28 WeakPolarHBondContact O-CB 3.5Å; I25-A28 PolarHBondContact O-N 3.03Å; I25-A28 VanDerWaalsContact O-N 3.12Å; I25-I29 HydrophobicContact CG2-CD1 4.23Å; I25-I29 WeakPolarHBondContact O-CG1 3.42Å; I25-I29 PolarHBondContact O-N 3.44Å; I25-Y44 HydrophobicContact CG2-CE1 4.24Å; I25-I51 HydrophobicContact CD1-CD1 3.94Å; I25-A72 HydrophobicContact CD1-CB 4.47Å; I25-V76 HydrophobicContact CD1-CG2 3.77Å; I25-V76 HydrophobicContact CG1-CG2 3.92Å; I25-V76 HydrophobicContact CG2-CG2 3.99Å; I25-A99 HydrophobicContact CG2-CB 3.94Å; I25-L100 HydrophobicContact CG2-CD1 4.05Å; I25-F103 HydrophobicContact CD1-CE2 3.54Å; I25-F103 HydrophobicContact CD1-CZ 3.74Å
26D76.6Confident79.3Confident47 Ų4746.1 Ų46.125%0.25122%0.224SC..Hα-helixtrans-60.9-44.2175-167.940.5000111.5Y22 A28 I29 W30 L100 Y158Y22-D26 WeakPolarHBondContact O-CB 3.35Å; Y22-D26 PolarHBondContact O-N 3.22Å; D26-A28 VanDerWaalsContact C-N 3.33Å; D26-A28 PolarHBondContact O-N 3.03Å; D26-I29 PolarHBondContact O-N 3.41Å; D26-W30 PolarHBondContact O-N 2.78Å; D26-L100 HydrophobicContact CB-CD1 3.82Å; D26-Y158 PolarHBondContact OD2-OH 3.29Å
27Q76.2Confident79.8Confident41 Ų4146.4 Ų46.419%0.19222%0.223CC..Hα-helixtrans-60.9-40.7171.6-77.1177.412.100112.6A23 C24 I25 W30 F31 M43 Y158A23-Q27 WeakPolarHBondContact O-CB 3.48Å; A23-Q27 WeakPolarHBondContact O-CG 3.44Å; A23-Q27 PolarHBondContact O-N 2.9Å; A23-Q27 VanDerWaalsContact O-N 3.09Å; C24-Q27 PolarHBondContact O-N 3.14Å; I25-Q27 PolarHBondContact O-N 2.97Å; Q27-W30 WeakPolarHBondContact O-CB 3.49Å; Q27-W30 PolarHBondContact O-N 3.13Å; Q27-F31 WeakPolarHBondContact O-CD2 3.48Å; Q27-F31 PolarHBondContact O-N 2.93Å; Q27-M43 HydrophobicContact CB-CG 4.3Å; Q27-Y158 HydrophobicContact CB-CE1 4.41Å; Q27-Y158 HydrophobicContact CG-CD1 4.29Å; Q27-Y158 HydrophobicContact CG-CE1 3.45Å; Q27-Y158 VanDerWaalsContact CG-CE1 3.45Å
28A82.3Confident80Confident0 Ų052.4 Ų52.40%026%0.255CS..Hα-helixtrans-63.4-44.2178.600000111.8C24 I25 D26 W30 F31 D32 M43 Y44C24-A28 WeakPolarHBondContact O-CB 3.09Å; C24-A28 PolarHBondContact O-N 3.02Å; I25-A28 WeakPolarHBondContact O-CB 3.5Å; I25-A28 PolarHBondContact O-N 3.03Å; I25-A28 VanDerWaalsContact O-N 3.12Å; D26-A28 VanDerWaalsContact C-N 3.33Å; D26-A28 PolarHBondContact O-N 3.03Å; A28-W30 VanDerWaalsContact C-N 3.29Å; A28-W30 PolarHBondContact O-N 3.05Å; A28-F31 PolarHBondContact O-N 3.1Å; A28-D32 VanDerWaalsContact O-CB 3.23Å; A28-D32 WeakPolarHBondContact O-CB 3.39Å; A28-D32 PolarHBondContact O-N 3.12Å; A28-M43 HydrophobicContact CB-CB 3.57Å; A28-Y44 HydrophobicContact CB-CD1 3.34Å; A28-Y44 HydrophobicContact CB-CD2 3.65Å; A28-Y44 HydrophobicContact CB-CE1 3.48Å; A28-Y44 VanDerWaalsContact CB-CE1 3.48Å; A28-Y44 HydrophobicContact CB-CE2 3.75Å; A28-Y44 HydrophobicContact CB-CG 3.44Å; A28-Y44 VanDerWaalsContact CB-CG 3.44Å
29I78Confident80.2Confident10 Ų1054.4 Ų54.45%0.05127%0.265CS..Hα-helixtrans-59.6-42.4174.6-67.7171.8000110.4I25 D26 F31 D32 E33 Y44 S96 L100I25-I29 HydrophobicContact CG2-CD1 4.23Å; I25-I29 WeakPolarHBondContact O-CG1 3.42Å; I25-I29 PolarHBondContact O-N 3.44Å; D26-I29 PolarHBondContact O-N 3.41Å; I29-F31 PolarHBondContact O-N 2.92Å; I29-D32 WeakPolarHBondContact O-CB 3.24Å; I29-D32 PolarHBondContact O-N 2.94Å; I29-E33 HydrophobicContact CG2-CG 4.42Å; I29-E33 WeakPolarHBondContact O-CB 3.45Å; I29-E33 WeakPolarHBondContact O-CG 3.35Å; I29-E33 PolarHBondContact O-N 3.22Å; I29-Y44 HydrophobicContact CG1-CE1 4.31Å; I29-Y44 WeakPolarHBondContact CG1-OH 3.41Å; I29-S96 VanDerWaalsContact CD1-O 3.26Å; I29-S96 WeakPolarHBondContact CD1-O 3.47Å; I29-S96 WeakPolarHBondContact CG1-O 3.23Å; I29-L100 HydrophobicContact CD1-CB 4.01Å; I29-L100 HydrophobicContact CD1-CD1 3.55Å; I29-L100 HydrophobicContact CD1-CG 4.36Å
30W73.6Confident80.6Confident111 Ų11152.7 Ų52.742%0.4226%0.257SS..Hα-helixtrans-59.6-47.8176.3-17494.8000112.2D26 Q27 A28 E33 K34D26-W30 PolarHBondContact O-N 2.78Å; Q27-W30 WeakPolarHBondContact O-CB 3.49Å; Q27-W30 PolarHBondContact O-N 3.13Å; A28-W30 VanDerWaalsContact C-N 3.29Å; A28-W30 PolarHBondContact O-N 3.05Å; W30-E33 PolarHBondContact O-N 2.83Å; W30-K34 HydrophobicContact CD2-CG 4.23Å; W30-K34 HydrophobicContact CE3-CG 4.06Å; W30-K34 HydrophobicContact CH2-CG 3.94Å; W30-K34 HydrophobicContact CZ2-CD 4.44Å; W30-K34 HydrophobicContact CZ2-CG 4.13Å; W30-K34 HydrophobicContact CZ3-CG 3.9Å; W30-K34 WeakPolarHBondContact O-CG 3.29Å; W30-K34 PolarHBondContact O-N 3.35Å; W30-K34 VanDerWaalsContact O-N 3.11Å
31F79.2Confident81.2Confident33 Ų3347.6 Ų47.615%0.14524%0.24CC..Hα-helixtrans-66.1-38177.5-75.5-66.4000112.3Q27 A28 I29 K34 G35 E36 M39 A40 M43Q27-F31 WeakPolarHBondContact O-CD2 3.48Å; Q27-F31 PolarHBondContact O-N 2.93Å; A28-F31 PolarHBondContact O-N 3.1Å; I29-F31 PolarHBondContact O-N 2.92Å; F31-K34 CarbonylContact O-C 3.55Å; F31-K34 PolarHBondContact O-N 3.11Å; F31-K34 VanDerWaalsContact O-N 3.17Å; F31-G35 PolarHBondContact O-N 3.26Å; F31-G35 VanDerWaalsContact O-N 3.09Å; F31-E36 HydrophobicContact CB-CB 4.42Å; F31-E36 HydrophobicContact CD1-CB 4.07Å; F31-E36 WeakPolarHBondContact CD1-OE2 3.48Å; F31-E36 WeakPolarHBondContact CE1-OE2 3.47Å; F31-E36 PolarHBondContact O-N 3.32Å; F31-M39 HydrophobicContact CB-CB 4.1Å; F31-M39 HydrophobicContact CD1-CB 3.57Å; F31-M39 HydrophobicContact CD1-CG 4.29Å; F31-M39 HydrophobicContact CD2-CB 4Å; F31-M39 HydrophobicContact CE1-CB 3.91Å; F31-M39 HydrophobicContact CE1-CE 4.14Å; F31-M39 HydrophobicContact CE1-CG 4.23Å; F31-M39 HydrophobicContact CE2-CB 4.33Å; F31-M39 HydrophobicContact CE2-CE 4.13Å; F31-M39 HydrophobicContact CG-CB 3.63Å; F31-M39 HydrophobicContact CZ-CB 4.29Å; F31-M39 HydrophobicContact CZ-CE 3.74Å; F31-A40 HydrophobicContact CB-CB 3.89Å; F31-M43 HydrophobicContact CD2-CG 3.96Å; F31-M43 HydrophobicContact CE2-CG 4.06Å
32D82Confident81.5Confident7 Ų755.1 Ų55.14%0.03727%0.269CS..Hα-helixtrans-61.6-44.1176.2-170.2-10.5000111.2A28 I29 K34 G35 A40 Y44 R79A28-D32 VanDerWaalsContact O-CB 3.23Å; A28-D32 WeakPolarHBondContact O-CB 3.39Å; A28-D32 PolarHBondContact O-N 3.12Å; I29-D32 WeakPolarHBondContact O-CB 3.24Å; I29-D32 PolarHBondContact O-N 2.94Å; D32-K34 VanDerWaalsContact C-N 3.31Å; D32-K34 PolarHBondContact O-N 3.48Å; D32-G35 PolarHBondContact O-N 2.9Å; D32-A40 HydrophobicContact CB-CB 3.95Å; D32-Y44 HydrophobicContact CB-CE2 4.39Å; D32-Y44 PolarHBondContact OD2-OH 3.2Å; D32-R79 IonicContact OD1-CZ 3.42Å; D32-R79 IonicContact OD1-NE 2.71Å; D32-R79 IonicContact OD1-NH2 3.29Å; D32-R79 PolarHBondContact OD1-NH2 2.98Å; D32-R79 IonicContact OD2-CZ 2.82Å; D32-R79 IonicContact OD2-NE 2.68Å; D32-R79 PolarHBondContact OD2-NE 3.44Å; D32-R79 IonicContact OD2-NH2 3.6Å; D32-R79 PolarHBondContact OD2-NH2 3Å
33E75.5Confident81.9Confident120 Ų12053 Ų5356%0.56126%0.262SS*.Hα-helixtrans-65.7-30.6174.1-74.5-174.1170.800113.4I29 W30 G35I29-E33 HydrophobicContact CG2-CG 4.42Å; I29-E33 WeakPolarHBondContact O-CB 3.45Å; I29-E33 WeakPolarHBondContact O-CG 3.35Å; I29-E33 PolarHBondContact O-N 3.22Å; W30-E33 PolarHBondContact O-N 2.83Å; E33-G35 VanDerWaalsContact C-N 3.26Å
34K73.6Confident82.8Confident118 Ų11851.5 Ų51.551%0.51325%0.25SC..Hα-helixtrans-75.5-13.7172.3-66-56.2177.3-158.30113.4W30 F31 D32 E36W30-K34 HydrophobicContact CD2-CG 4.23Å; W30-K34 HydrophobicContact CE3-CG 4.06Å; W30-K34 HydrophobicContact CH2-CG 3.94Å; W30-K34 HydrophobicContact CZ2-CD 4.44Å; W30-K34 HydrophobicContact CZ2-CG 4.13Å; W30-K34 HydrophobicContact CZ3-CG 3.9Å; W30-K34 WeakPolarHBondContact O-CG 3.29Å; W30-K34 PolarHBondContact O-N 3.35Å; W30-K34 VanDerWaalsContact O-N 3.11Å; F31-K34 CarbonylContact O-C 3.55Å; F31-K34 PolarHBondContact O-N 3.11Å; F31-K34 VanDerWaalsContact O-N 3.17Å; D32-K34 VanDerWaalsContact C-N 3.31Å; D32-K34 PolarHBondContact O-N 3.48Å; K34-E36 VanDerWaalsContact C-N 3.3Å; K34-E36 HydrophobicContact CB-CG 4.32Å
35G80.1Confident83.3Confident44 Ų4454.8 Ų54.845%0.45426%0.264SS..THydrogen-bonded Turntrans74.220.1-172.800000113.3F31 D32 E33 D37F31-G35 PolarHBondContact O-N 3.26Å; F31-G35 VanDerWaalsContact O-N 3.09Å; D32-G35 PolarHBondContact O-N 2.9Å; E33-G35 VanDerWaalsContact C-N 3.26Å; G35-D37 VanDerWaalsContact C-N 3.3Å; G35-D37 PolarHBondContact O-N 3.37Å
36E83.6Confident83.7Confident98 Ų9859 Ų5946%0.45828%0.284SS..  trans-88.270.6172.1-68.4-172.8-165.100109.4F31 K34 D38 M39 A40F31-E36 HydrophobicContact CB-CB 4.42Å; F31-E36 HydrophobicContact CD1-CB 4.07Å; F31-E36 WeakPolarHBondContact CD1-OE2 3.48Å; F31-E36 WeakPolarHBondContact CE1-OE2 3.47Å; F31-E36 PolarHBondContact O-N 3.32Å; K34-E36 VanDerWaalsContact C-N 3.3Å; K34-E36 HydrophobicContact CB-CG 4.32Å; E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.34Å; E36-M39 HydrophobicContact CB-CB 4.36Å; E36-M39 PolarHBondContact O-N 3.43Å; E36-M39 VanDerWaalsContact O-N 3.13Å; E36-A40 PolarHBondContact O-N 3.16Å
37D86.6Confident84.4Confident42 Ų4256.8 Ų56.823%0.22527%0.272CS..Hα-helixtrans-57-40.8-169.6-61.7-28.8000112.7G35 M39 A40 V41 K86G35-D37 VanDerWaalsContact C-N 3.3Å; G35-D37 PolarHBondContact O-N 3.37Å; D37-M39 VanDerWaalsContact C-N 3.34Å; D37-M39 PolarHBondContact O-N 3.02Å; D37-A40 PolarHBondContact O-N 3.49Å; D37-V41 VanDerWaalsContact O-CG2 3.3Å; D37-V41 WeakPolarHBondContact O-CG2 3.5Å; D37-V41 PolarHBondContact O-N 2.75Å; D37-K86 IonicContact OD1-NZ 2.69Å; D37-K86 PolarHBondContact OD1-NZ 3.12Å; D37-K86 WeakPolarHBondContact OD2-CD 3.37Å; D37-K86 IonicContact OD2-NZ 3.18Å; D37-K86 PolarHBondContact OD2-NZ 3.37Å
38D87.4Confident85.1Confident135 Ų13556 Ų5672%0.72227%0.269SS*.Hα-helixtrans-59.9-41.1178.6-72.6-19.3000113E36 R42E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.34Å; D38-R42 WeakPolarHBondContact O-CG 3.37Å; D38-R42 PolarHBondContact O-N 3.47Å
39M86.7Confident85.7Confident54 Ų5458.1 Ų58.127%0.26629%0.287SS..Hα-helixtrans-75.8-38.5179.3-71.5-64.2-68.500110.7F31 E36 D37 R42 M43F31-M39 HydrophobicContact CB-CB 4.1Å; F31-M39 HydrophobicContact CD1-CB 3.57Å; F31-M39 HydrophobicContact CD1-CG 4.29Å; F31-M39 HydrophobicContact CD2-CB 4Å; F31-M39 HydrophobicContact CE1-CB 3.91Å; F31-M39 HydrophobicContact CE1-CE 4.14Å; F31-M39 HydrophobicContact CE1-CG 4.23Å; F31-M39 HydrophobicContact CE2-CB 4.33Å; F31-M39 HydrophobicContact CE2-CE 4.13Å; F31-M39 HydrophobicContact CG-CB 3.63Å; F31-M39 HydrophobicContact CZ-CB 4.29Å; F31-M39 HydrophobicContact CZ-CE 3.74Å; E36-M39 HydrophobicContact CB-CB 4.36Å; E36-M39 PolarHBondContact O-N 3.43Å; E36-M39 VanDerWaalsContact O-N 3.13Å; D37-M39 VanDerWaalsContact C-N 3.34Å; D37-M39 PolarHBondContact O-N 3.02Å; M39-R42 PolarHBondContact O-N 2.88Å; M39-M43 HydrophobicContact CE-CE 4.25Å; M39-M43 VanDerWaalsContact O-CG 3.31Å; M39-M43 WeakPolarHBondContact O-CG 3.48Å; M39-M43 PolarHBondContact O-N 2.79Å
40A87.9Confident86.3Confident0 Ų059.1 Ų59.10%029%0.29CS..Hα-helixtrans-58.8-49.1174.100000111.3F31 D32 E36 D37 R42 M43 Y44 L83F31-A40 HydrophobicContact CB-CB 3.89Å; D32-A40 HydrophobicContact CB-CB 3.95Å; E36-A40 PolarHBondContact O-N 3.16Å; D37-A40 PolarHBondContact O-N 3.49Å; A40-R42 PolarHBondContact O-N 2.91Å; A40-M43 PolarHBondContact O-N 2.96Å; A40-Y44 HydrophobicContact CB-CD2 4.47Å; A40-Y44 HydrophobicContact CB-CE2 4.34Å; A40-Y44 WeakPolarHBondContact O-CD2 3.46Å; A40-Y44 PolarHBondContact O-N 3.23Å; A40-L83 HydrophobicContact CB-CD1 3.98Å
41V90.8Very high87.1Confident22 Ų2253.9 Ų53.913%0.13327%0.271CS..Hα-helixtrans-57.5-48178.1170.70000111.1D37 M43 Y44 E45 L80 L83D37-V41 VanDerWaalsContact O-CG2 3.3Å; D37-V41 WeakPolarHBondContact O-CG2 3.5Å; D37-V41 PolarHBondContact O-N 2.75Å; V41-M43 VanDerWaalsContact C-N 3.33Å; V41-M43 PolarHBondContact O-N 2.9Å; V41-Y44 PolarHBondContact O-N 3.22Å; V41-E45 HydrophobicContact CG1-CG 4.34Å; V41-E45 WeakPolarHBondContact O-CB 3.43Å; V41-E45 VanDerWaalsContact O-CG 3.29Å; V41-E45 WeakPolarHBondContact O-CG 3.28Å; V41-E45 PolarHBondContact O-N 3.23Å; V41-L80 HydrophobicContact CG1-CD2 4.28Å; V41-L83 HydrophobicContact CG2-CB 3.87Å; V41-L83 HydrophobicContact CG2-CD1 4.23Å
42R90.7Very high87.7Confident159 Ų15954.8 Ų54.860%0.628%0.279SS*.Hα-helixtrans-59.4-42178.4-75.5176.7174.8173.11.2113.1D38 M39 A40 Q46D38-R42 WeakPolarHBondContact O-CG 3.37Å; D38-R42 PolarHBondContact O-N 3.47Å; M39-R42 PolarHBondContact O-N 2.88Å; A40-R42 PolarHBondContact O-N 2.91Å; R42-Q46 WeakPolarHBondContact O-CB 3.49Å; R42-Q46 PolarHBondContact O-N 3.29Å
43M88.6Confident88Confident30 Ų3058.6 Ų58.615%0.14830%0.297CS..Hα-helixtrans-71.6-39.3-179.5-66.8-60.514400111.6Q27 A28 F31 M39 A40 V41 Q46 G47Q27-M43 HydrophobicContact CB-CG 4.3Å; A28-M43 HydrophobicContact CB-CB 3.57Å; F31-M43 HydrophobicContact CD2-CG 3.96Å; F31-M43 HydrophobicContact CE2-CG 4.06Å; M39-M43 HydrophobicContact CE-CE 4.25Å; M39-M43 VanDerWaalsContact O-CG 3.31Å; M39-M43 WeakPolarHBondContact O-CG 3.48Å; M39-M43 PolarHBondContact O-N 2.79Å; A40-M43 PolarHBondContact O-N 2.96Å; V41-M43 VanDerWaalsContact C-N 3.33Å; V41-M43 PolarHBondContact O-N 2.9Å; M43-Q46 PolarHBondContact O-N 3.45Å; M43-G47 PolarHBondContact O-N 2.87Å
44Y92.7Very high88.6Confident0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-62.1-44.4172.3-77.3-54.3000111.7I25 A28 I29 D32 A40 V41 Q46 G47 L48 V76 R79 L83I25-Y44 HydrophobicContact CG2-CE1 4.24Å; A28-Y44 HydrophobicContact CB-CD1 3.34Å; A28-Y44 HydrophobicContact CB-CD2 3.65Å; A28-Y44 HydrophobicContact CB-CE1 3.48Å; A28-Y44 VanDerWaalsContact CB-CE1 3.48Å; A28-Y44 HydrophobicContact CB-CE2 3.75Å; A28-Y44 HydrophobicContact CB-CG 3.44Å; A28-Y44 VanDerWaalsContact CB-CG 3.44Å; I29-Y44 HydrophobicContact CG1-CE1 4.31Å; I29-Y44 WeakPolarHBondContact CG1-OH 3.41Å; D32-Y44 HydrophobicContact CB-CE2 4.39Å; D32-Y44 PolarHBondContact OD2-OH 3.2Å; A40-Y44 HydrophobicContact CB-CD2 4.47Å; A40-Y44 HydrophobicContact CB-CE2 4.34Å; A40-Y44 WeakPolarHBondContact O-CD2 3.46Å; A40-Y44 PolarHBondContact O-N 3.23Å; V41-Y44 PolarHBondContact O-N 3.22Å; Y44-Q46 VanDerWaalsContact C-N 3.33Å; Y44-Q46 PolarHBondContact O-N 3.15Å; Y44-G47 PolarHBondContact O-N 3.06Å; Y44-L48 WeakPolarHBondContact O-CG 3.43Å; Y44-L48 PolarHBondContact O-N 2.92Å; Y44-V76 HydrophobicContact CD1-CB 4.29Å; Y44-V76 HydrophobicContact CD1-CG1 3.48Å; Y44-V76 VanDerWaalsContact CD1-CG1 3.48Å; Y44-V76 HydrophobicContact CD1-CG2 4.02Å; Y44-V76 HydrophobicContact CE1-CG1 4.36Å; Y44-V76 HydrophobicContact CE1-CG2 4.27Å; Y44-V76 HydrophobicContact CG-CG1 3.92Å; Y44-R79 HydrophobicContact CE2-CG 4.08Å; Y44-L83 HydrophobicContact CD2-CD1 3.89Å; Y44-L83 HydrophobicContact CE2-CD1 3.67Å
45E93.5Very high89.2Confident80 Ų8051.3 Ų51.337%0.37427%0.265SS..Hα-helixtrans-59.6-42.6175.7-73.4175.5172.100111.9V41 L48 A49 L80 R84V41-E45 HydrophobicContact CG1-CG 4.34Å; V41-E45 WeakPolarHBondContact O-CB 3.43Å; V41-E45 VanDerWaalsContact O-CG 3.29Å; V41-E45 WeakPolarHBondContact O-CG 3.28Å; V41-E45 PolarHBondContact O-N 3.23Å; E45-L48 PolarHBondContact O-N 3.36Å; E45-A49 PolarHBondContact O-N 3.4Å; E45-L80 HydrophobicContact CG-CD1 3.9Å; E45-R84 IonicContact OE1-CZ 3.7Å; E45-R84 IonicContact OE1-NE 3.98Å; E45-R84 IonicContact OE1-NH2 2.66Å; E45-R84 PolarHBondContact OE1-NH2 3.36Å
46Q92.1Very high89.5Confident89 Ų8956.7 Ų56.742%0.41628%0.278SS..Hα-helixtrans-66.4-39.3176.9-169.1176.2-16.200112.1R42 M43 Y44 A49 F50R42-Q46 WeakPolarHBondContact O-CB 3.49Å; R42-Q46 PolarHBondContact O-N 3.29Å; M43-Q46 PolarHBondContact O-N 3.45Å; Y44-Q46 VanDerWaalsContact C-N 3.33Å; Y44-Q46 PolarHBondContact O-N 3.15Å; Q46-A49 WeakPolarHBondContact O-CB 3.42Å; Q46-A49 PolarHBondContact O-N 2.89Å; Q46-F50 HydrophobicContact CG-CD2 4.49Å; Q46-F50 HydrophobicContact CG-CE2 3.91Å; Q46-F50 HydrophobicContact CG-CZ 4.48Å; Q46-F50 VanDerWaalsContact O-CD2 3.28Å; Q46-F50 WeakPolarHBondContact O-CD2 3.42Å; Q46-F50 PolarHBondContact O-N 3.49Å
47G90.5Very high89.1Confident0 Ų057.2 Ų57.20%028%0.282CS..Hα-helixtrans-61-45.8173.100000112.3M43 Y44 A49 F50 I51M43-G47 PolarHBondContact O-N 2.87Å; Y44-G47 PolarHBondContact O-N 3.06Å; G47-A49 VanDerWaalsContact C-N 3.3Å; G47-A49 PolarHBondContact O-N 3.31Å; G47-F50 PolarHBondContact O-N 3.45Å; G47-I51 WeakPolarHBondContact O-CG1 3.23Å; G47-I51 PolarHBondContact O-N 3.24Å
48L92.7Very high88.1Confident24 Ų2456.5 Ų56.513%0.12628%0.28CS..Hα-helixtrans-62.2-35.5175.5-72.6175.2000112.6Y44 E45 F50 I51 T52 K73 V76 T77 L80Y44-L48 WeakPolarHBondContact O-CG 3.43Å; Y44-L48 PolarHBondContact O-N 2.92Å; E45-L48 PolarHBondContact O-N 3.36Å; L48-F50 VanDerWaalsContact C-N 3.35Å; L48-I51 HydrophobicContact CD2-CD1 4.4Å; L48-I51 PolarHBondContact O-N 3.31Å; L48-T52 WeakPolarHBondContact O-CB 3.4Å; L48-T52 PolarHBondContact O-N 3.38Å; L48-T52 PolarHBondContact O-OG1 3.03Å; L48-K73 HydrophobicContact CD2-CB 4.32Å; L48-K73 HydrophobicContact CD2-CG 3.64Å; L48-V76 HydrophobicContact CD1-CG1 3.92Å; L48-V76 HydrophobicContact CD2-CB 4.07Å; L48-V76 HydrophobicContact CD2-CG1 3.84Å; L48-V76 HydrophobicContact CG-CB 4.44Å; L48-V76 HydrophobicContact CG-CG1 3.66Å; L48-T77 HydrophobicContact CD1-CG2 3.99Å; L48-T77 HydrophobicContact CD2-CG2 4.02Å; L48-L80 HydrophobicContact CD1-CD1 3.65Å
49A93.2Very high86.8Confident45 Ų4558 Ų5837%0.37229%0.288SS..Hα-helixtrans-62.6-41.2175.300000111.7E45 Q46 G47 T52 Q53E45-A49 PolarHBondContact O-N 3.4Å; Q46-A49 WeakPolarHBondContact O-CB 3.42Å; Q46-A49 PolarHBondContact O-N 2.89Å; G47-A49 VanDerWaalsContact C-N 3.3Å; G47-A49 PolarHBondContact O-N 3.31Å; A49-T52 PolarHBondContact O-N 3.07Å; A49-Q53 VanDerWaalsContact O-CG 3.31Å; A49-Q53 WeakPolarHBondContact O-CG 3.46Å; A49-Q53 PolarHBondContact O-N 3.47Å
50F90.9Very high85.3Confident30 Ų3058.5 Ų58.513%0.13230%0.297CS..Hα-helixtrans-67.7-37.8174.5-68.1-51.4000112.8L17 R20 A21 Q46 G47 L48 T52 Q53 A54L17-F50 HydrophobicContact CD2-CB 4.41Å; L17-F50 HydrophobicContact CD2-CD1 3.79Å; R20-F50 HydrophobicContact CB-CD1 4.19Å; R20-F50 HydrophobicContact CB-CD2 3.7Å; R20-F50 HydrophobicContact CB-CE1 4.26Å; R20-F50 HydrophobicContact CB-CE2 3.76Å; R20-F50 HydrophobicContact CB-CG 3.92Å; R20-F50 HydrophobicContact CB-CZ 4.06Å; R20-F50 HydrophobicContact CG-CZ 4.46Å; A21-F50 HydrophobicContact CB-CB 3.96Å; Q46-F50 HydrophobicContact CG-CD2 4.49Å; Q46-F50 HydrophobicContact CG-CE2 3.91Å; Q46-F50 HydrophobicContact CG-CZ 4.48Å; Q46-F50 VanDerWaalsContact O-CD2 3.28Å; Q46-F50 WeakPolarHBondContact O-CD2 3.42Å; Q46-F50 PolarHBondContact O-N 3.49Å; G47-F50 PolarHBondContact O-N 3.45Å; L48-F50 VanDerWaalsContact C-N 3.35Å; F50-T52 VanDerWaalsContact C-N 3.35Å; F50-Q53 PolarHBondContact O-N 3.04Å; F50-A54 PolarHBondContact O-N 3.38Å
51I90.4Very high84.1Confident2 Ų266.3 Ų66.31%0.0133%0.333CS..Hα-helixtrans-62.4-43.5173.6-64.2166.9000111A21 I25 G47 L48 Q53 A54 E55 M69 K73A21-I51 HydrophobicContact CB-CG1 3.84Å; I25-I51 HydrophobicContact CD1-CD1 3.94Å; G47-I51 WeakPolarHBondContact O-CG1 3.23Å; G47-I51 PolarHBondContact O-N 3.24Å; L48-I51 HydrophobicContact CD2-CD1 4.4Å; L48-I51 PolarHBondContact O-N 3.31Å; I51-Q53 VanDerWaalsContact C-N 3.34Å; I51-Q53 PolarHBondContact O-N 3.21Å; I51-A54 WeakPolarHBondContact O-CB 3.31Å; I51-A54 PolarHBondContact O-N 3.16Å; I51-A54 VanDerWaalsContact O-N 3.17Å; I51-E55 PolarHBondContact O-N 3.02Å; I51-M69 HydrophobicContact CB-CE 4.37Å; I51-M69 HydrophobicContact CG1-CB 4.07Å; I51-M69 HydrophobicContact CG1-CE 3.87Å; I51-M69 HydrophobicContact CG1-CG 4.44Å; I51-M69 HydrophobicContact CG2-CB 4.01Å; I51-K73 HydrophobicContact CD1-CB 4.42Å; I51-K73 HydrophobicContact CG2-CB 4.12Å; I51-K73 HydrophobicContact CG2-CD 4.03Å; I51-K73 HydrophobicContact CG2-CG 4.18Å
52T91.3Very high83Confident52 Ų5273.7 Ų73.732%0.31936%0.363SS..Hα-helixtrans-66.8-36.5179-51.10000111.5L48 A49 F50 E55 Q56L48-T52 WeakPolarHBondContact O-CB 3.4Å; L48-T52 PolarHBondContact O-N 3.38Å; L48-T52 PolarHBondContact O-OG1 3.03Å; A49-T52 PolarHBondContact O-N 3.07Å; F50-T52 VanDerWaalsContact C-N 3.35Å; T52-E55 PolarHBondContact O-N 3.05Å; T52-Q56 WeakPolarHBondContact O-CG 3.2Å; T52-Q56 PolarHBondContact O-N 3.31Å; T52-Q56 VanDerWaalsContact O-N 3.13Å
53Q89.4Confident82.4Confident87 Ų8768.4 Ų68.441%0.40735%0.347SS..Hα-helixtrans-63.6-41.4171.6-73.7171.720.500111.6L17 A49 F50 I51 E55 Q56 M57L17-Q53 HydrophobicContact CD1-CB 4.03Å; L17-Q53 HydrophobicContact CD2-CB 4.08Å; A49-Q53 VanDerWaalsContact O-CG 3.31Å; A49-Q53 WeakPolarHBondContact O-CG 3.46Å; A49-Q53 PolarHBondContact O-N 3.47Å; F50-Q53 PolarHBondContact O-N 3.04Å; I51-Q53 VanDerWaalsContact C-N 3.34Å; I51-Q53 PolarHBondContact O-N 3.21Å; Q53-E55 VanDerWaalsContact C-N 3.34Å; Q53-E55 PolarHBondContact O-N 3.37Å; Q53-Q56 PolarHBondContact O-N 3.01Å; Q53-M57 WeakPolarHBondContact O-CG 3.29Å; Q53-M57 PolarHBondContact O-N 3.25Å; Q53-M57 VanDerWaalsContact O-N 3.14Å
54A87.7Confident82.1Confident1 Ų170.7 Ų70.71%0.00836%0.364CS..Hα-helixtrans-65.6-37.8178.100000112.3L14 L17 F50 I51 M57 S58 M69L14-A54 HydrophobicContact CD1-CB 3.68Å; L17-A54 HydrophobicContact CB-CB 4.13Å; L17-A54 HydrophobicContact CD1-CB 4.03Å; F50-A54 PolarHBondContact O-N 3.38Å; I51-A54 WeakPolarHBondContact O-CB 3.31Å; I51-A54 PolarHBondContact O-N 3.16Å; I51-A54 VanDerWaalsContact O-N 3.17Å; A54-M57 PolarHBondContact O-N 3.24Å; A54-S58 PolarHBondContact O-N 2.8Å; A54-M69 HydrophobicContact CB-CE 3.75Å; A54-M69 HydrophobicContact CB-SD 3.69Å
55E86.8Confident81.5Confident83 Ų8372.8 Ų72.839%0.38838%0.375SS..Hα-helixtrans-62.5-39.8174.6-171.5175-170.200111.8I51 T52 Q53 L70 K73I51-E55 PolarHBondContact O-N 3.02Å; T52-E55 PolarHBondContact O-N 3.05Å; Q53-E55 VanDerWaalsContact C-N 3.34Å; Q53-E55 PolarHBondContact O-N 3.37Å; E55-L70 HydrophobicContact CG-CD2 4.42Å; E55-K73 IonicContact OE1-NZ 3.73Å; E55-K73 IonicContact OE2-NZ 2.69Å; E55-K73 PolarHBondContact OE2-NZ 3.37Å
56Q85.9Confident81.1Confident157 Ų15769.2 Ų69.273%0.73436%0.359SS*.Hα-helixtrans-74-24.4177.8-70.2173.61.500114.1T52 Q53T52-Q56 WeakPolarHBondContact O-CG 3.2Å; T52-Q56 PolarHBondContact O-N 3.31Å; T52-Q56 VanDerWaalsContact O-N 3.13Å; Q53-Q56 PolarHBondContact O-N 3.01Å
57M76Confident80.8Confident109 Ų10969.2 Ų69.254%0.53736%0.359SS..Hα-helixtrans-83.5-14.5-178.9-72.2-172.580.500113.8A13 L17 Q53 A54A13-M57 HydrophobicContact CB-CE 3.64Å; A13-M57 HydrophobicContact CB-SD 4.46Å; L17-M57 HydrophobicContact CD1-SD 3.48Å; L17-M57 WeakPolarHBondContact CD1-SD 3.47Å; Q53-M57 WeakPolarHBondContact O-CG 3.29Å; Q53-M57 PolarHBondContact O-N 3.25Å; Q53-M57 VanDerWaalsContact O-N 3.14Å; A54-M57 PolarHBondContact O-N 3.24Å
58S64.4Low80.5Confident27 Ų2770.9 Ų70.919%0.18937%0.366CS..  trans-111.1106.5-170176.90000111.3A54 S60A54-S58 PolarHBondContact O-N 2.8Å; S58-S60 PolarHBondContact O-N 3.45Å; S58-S60 PolarHBondContact OG-O 2.7Å; S58-S60 VanDerWaalsContact OG-O 3.14Å
59D60.3Low80.2Confident168 Ų16869.8 Ų69.890%0.89836%0.36SS*.SBendtrans-65.8102.1157.3-82.4-33.9000108.4
60S56.3Low80Confident63 Ų6370 Ų7044%0.44136%0.355SS..SBendtrans108.5132.7170.184.20000116.9S58 K62S58-S60 PolarHBondContact O-N 3.45Å; S58-S60 PolarHBondContact OG-O 2.7Å; S58-S60 VanDerWaalsContact OG-O 3.14Å; S60-K62 PolarHBondContact O-N 2.8Å; S60-K62 WeakPolarHBondContact OG-CB 3.47Å; S60-K62 PolarHBondContact OG-N 3.36Å
61E61.2Low79.8Confident165 Ų16575.8 Ų75.877%0.77138%0.376SS*.THydrogen-bonded Turntrans-53.72.6163.1-64.2175.1148.700114Q67E61-Q67 WeakPolarHBondContact O-CG 3.42Å; E61-Q67 PolarHBondContact O-NE2 3.03Å
62K68.9Low79.6Confident176 Ų17675.7 Ų75.777%0.76538%0.376SS*.THydrogen-bonded Turntrans-86.9-16.5-174.6-60.8-179.4179.3178.70113.4S60 P64S60-K62 PolarHBondContact O-N 2.8Å; S60-K62 WeakPolarHBondContact OG-CB 3.47Å; S60-K62 PolarHBondContact OG-N 3.36Å; K62-P64 WeakPolarHBondContact O-CD 3.48Å
63N78.6Confident79.5Confident48 Ų4875.9 Ų75.926%0.25737%0.372SS..  trans-74.6120.9-178.6-165.2-51.2000111L14 L65 V66 Q67L14-N63 HydrophobicContact CD2-CB 4.34Å; L14-N63 VanDerWaalsContact CD2-CG 3.42Å; L14-N63 WeakPolarHBondContact CD2-ND2 3.44Å; N63-L65 PolarHBondContact O-N 3.37Å; N63-L65 WeakPolarHBondContact OD1-CB 3.47Å; N63-L65 PolarHBondContact OD1-N 3.09Å; N63-V66 HydrophobicContact CB-CB 4.25Å; N63-V66 HydrophobicContact CB-CG2 3.96Å; N63-V66 PolarHBondContact O-N 2.95Å; N63-V66 VanDerWaalsContact O-N 3.13Å; N63-Q67 PolarHBondContact O-N 2.97Å
64P81.8Confident79.4Confident78 Ų7877.9 Ų77.951%0.50638%0.381SS..Hα-helixtrans-62.1-29.5-176.325.3-35.4000113.2K62 K68K62-P64 WeakPolarHBondContact O-CD 3.48Å; P64-K68 VanDerWaalsContact O-CG 3.29Å; P64-K68 WeakPolarHBondContact O-CG 3.3Å; P64-K68 PolarHBondContact O-N 2.96Å; P64-K68 VanDerWaalsContact O-N 3.16Å
65L79.8Confident79.4Confident44 Ų4481.3 Ų81.323%0.2340%0.397CS..Hα-helixtrans-69.1-42.7176.5-66176.5000111.3L14 Y18 N63 K68 M69L14-L65 HydrophobicContact CD2-CB 4.33Å; L14-L65 HydrophobicContact CD2-CD1 4.46Å; Y18-L65 HydrophobicContact CD1-CD2 4.3Å; Y18-L65 HydrophobicContact CD2-CB 4.02Å; Y18-L65 HydrophobicContact CD2-CD2 3.76Å; Y18-L65 HydrophobicContact CD2-CG 4.45Å; Y18-L65 HydrophobicContact CE1-CD2 4.38Å; Y18-L65 HydrophobicContact CE2-CD2 3.84Å; Y18-L65 HydrophobicContact CG-CD2 4Å; N63-L65 PolarHBondContact O-N 3.37Å; N63-L65 WeakPolarHBondContact OD1-CB 3.47Å; N63-L65 PolarHBondContact OD1-N 3.09Å; L65-K68 PolarHBondContact O-N 2.89Å; L65-M69 VanDerWaalsContact O-CG 3.31Å; L65-M69 WeakPolarHBondContact O-CG 3.42Å; L65-M69 PolarHBondContact O-N 3.16Å
66V85Confident79.5Confident6 Ų677.4 Ų77.44%0.03638%0.379CS..Hα-helixtrans-65.3-44176.9179.40000110.3L14 N63 K68 M69 L70L14-V66 HydrophobicContact CD1-CG2 3.64Å; L14-V66 HydrophobicContact CD2-CG2 3.95Å; L14-V66 HydrophobicContact CG-CG2 4.39Å; N63-V66 HydrophobicContact CB-CB 4.25Å; N63-V66 HydrophobicContact CB-CG2 3.96Å; N63-V66 PolarHBondContact O-N 2.95Å; N63-V66 VanDerWaalsContact O-N 3.13Å; V66-K68 VanDerWaalsContact C-N 3.31Å; V66-K68 PolarHBondContact O-N 3.23Å; V66-M69 WeakPolarHBondContact O-CB 3.44Å; V66-M69 PolarHBondContact O-N 3.17Å; V66-M69 VanDerWaalsContact O-N 3.14Å; V66-L70 HydrophobicContact CG1-CD1 3.99Å; V66-L70 HydrophobicContact CG1-CG 4.18Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 2.89Å
67Q85.2Confident79.7Confident88 Ų8872.5 Ų72.541%0.41136%0.359SS..Hα-helixtrans-57.5-42.6176.6-71.2-175.13.300112.5E61 N63 L70 R71E61-Q67 WeakPolarHBondContact O-CG 3.42Å; E61-Q67 PolarHBondContact O-NE2 3.03Å; N63-Q67 PolarHBondContact O-N 2.97Å; Q67-L70 PolarHBondContact O-N 3.26Å; Q67-R71 WeakPolarHBondContact O-CG 3.16Å; Q67-R71 PolarHBondContact O-N 2.93Å
68K84.6Confident80.2Confident35 Ų3570.6 Ų70.615%0.15235%0.354CS..Hα-helixtrans-63-45175.4-73.6170-178.7175.50111.7Y18 P64 L65 V66 L70 R71 A72 A102 E104Y18-K68 HydrophobicContact CE2-CB 4.02Å; Y18-K68 HydrophobicContact CE2-CD 4.25Å; P64-K68 VanDerWaalsContact O-CG 3.29Å; P64-K68 WeakPolarHBondContact O-CG 3.3Å; P64-K68 PolarHBondContact O-N 2.96Å; P64-K68 VanDerWaalsContact O-N 3.16Å; L65-K68 PolarHBondContact O-N 2.89Å; V66-K68 VanDerWaalsContact C-N 3.31Å; V66-K68 PolarHBondContact O-N 3.23Å; K68-L70 VanDerWaalsContact C-N 3.33Å; K68-L70 PolarHBondContact O-N 3.45Å; K68-R71 PolarHBondContact O-N 3.27Å; K68-A72 PolarHBondContact O-N 3.39Å; K68-A102 WeakPolarHBondContact CB-O 3.14Å; K68-E104 HydrophobicContact CD-CB 4.48Å; K68-E104 VanDerWaalsContact CE-CD 3.44Å; K68-E104 WeakPolarHBondContact CE-OE1 3.31Å; K68-E104 IonicContact NZ-OE1 2.92Å; K68-E104 PolarHBondContact NZ-OE1 3.28Å; K68-E104 IonicContact NZ-OE2 2.94Å; K68-E104 PolarHBondContact NZ-OE2 3.04Å
69M87Confident81.3Confident1 Ų170 Ų701%0.00535%0.348CS..Hα-helixtrans-61.8-38.7176-72175.594.900112.4L17 Y18 A21 I51 A54 L65 V66 A72 K73 F103L17-M69 HydrophobicContact CB-CE 4.37Å; L17-M69 WeakPolarHBondContact O-CE 3.26Å; Y18-M69 HydrophobicContact CD2-CG 3.7Å; Y18-M69 HydrophobicContact CD2-SD 4Å; Y18-M69 HydrophobicContact CE2-CG 4.34Å; Y18-M69 HydrophobicContact CG-SD 4.5Å; A21-M69 HydrophobicContact CB-CE 3.47Å; A21-M69 VanDerWaalsContact CB-CE 3.47Å; I51-M69 HydrophobicContact CB-CE 4.37Å; I51-M69 HydrophobicContact CG1-CB 4.07Å; I51-M69 HydrophobicContact CG1-CE 3.87Å; I51-M69 HydrophobicContact CG1-CG 4.44Å; I51-M69 HydrophobicContact CG2-CB 4.01Å; A54-M69 HydrophobicContact CB-CE 3.75Å; A54-M69 HydrophobicContact CB-SD 3.69Å; L65-M69 VanDerWaalsContact O-CG 3.31Å; L65-M69 WeakPolarHBondContact O-CG 3.42Å; L65-M69 PolarHBondContact O-N 3.16Å; V66-M69 WeakPolarHBondContact O-CB 3.44Å; V66-M69 PolarHBondContact O-N 3.17Å; V66-M69 VanDerWaalsContact O-N 3.14Å; M69-A72 WeakPolarHBondContact O-CB 3.44Å; M69-A72 PolarHBondContact O-N 2.89Å; M69-K73 PolarHBondContact O-N 3.27Å; M69-F103 HydrophobicContact CG-CE1 3.96Å; M69-F103 HydrophobicContact CG-CZ 4.42Å
70L87.9Confident82.7Confident49 Ų4962.3 Ų62.326%0.25731%0.307SS..Hα-helixtrans-67.3-40.2176.6-70.2175.2000112.1E55 V66 Q67 K68 A72 K73 E74E55-L70 HydrophobicContact CG-CD2 4.42Å; V66-L70 HydrophobicContact CG1-CD1 3.99Å; V66-L70 HydrophobicContact CG1-CG 4.18Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 2.89Å; Q67-L70 PolarHBondContact O-N 3.26Å; K68-L70 VanDerWaalsContact C-N 3.33Å; K68-L70 PolarHBondContact O-N 3.45Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 2.88Å; L70-K73 HydrophobicContact CD2-CD 4.05Å; L70-K73 WeakPolarHBondContact O-CB 3.29Å; L70-K73 PolarHBondContact O-N 3Å; L70-K73 VanDerWaalsContact O-N 3.15Å; L70-E74 PolarHBondContact O-N 3.06Å
71R86.4Confident84.1Confident153 Ų15363.5 Ų63.558%0.57731%0.308SS*.Hα-helixtrans-60.1-42.9171-70.6178.5-174.3178.72.7111.8Q67 K68 K73 E74 H75 A102Q67-R71 WeakPolarHBondContact O-CG 3.16Å; Q67-R71 PolarHBondContact O-N 2.93Å; K68-R71 PolarHBondContact O-N 3.27Å; R71-K73 VanDerWaalsContact C-N 3.31Å; R71-K73 PolarHBondContact O-N 3.26Å; R71-E74 PolarHBondContact O-N 3.13Å; R71-H75 PolarHBondContact O-CD2 3.42Å; R71-H75 VanDerWaalsContact O-CD2 3.24Å; R71-A102 HydrophobicContact CB-CB 3.86Å
72A86.8Confident85.3Confident0 Ų056.9 Ų56.90%028%0.277CS..Hα-helixtrans-63.9-37175.100000112.3I25 K68 M69 L70 E74 H75 V76 A102 F103I25-A72 HydrophobicContact CD1-CB 4.47Å; K68-A72 PolarHBondContact O-N 3.39Å; M69-A72 WeakPolarHBondContact O-CB 3.44Å; M69-A72 PolarHBondContact O-N 2.89Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 2.88Å; A72-E74 VanDerWaalsContact C-N 3.3Å; A72-E74 PolarHBondContact O-N 3.29Å; A72-H75 PolarHBondContact O-N 3.23Å; A72-V76 WeakPolarHBondContact O-CB 3.37Å; A72-V76 VanDerWaalsContact O-CG2 3.29Å; A72-V76 WeakPolarHBondContact O-CG2 3.37Å; A72-V76 PolarHBondContact O-N 3Å; A72-A102 HydrophobicContact CB-CB 3.88Å; A72-F103 HydrophobicContact CB-CD2 3.87Å; A72-F103 HydrophobicContact CB-CE2 3.2Å; A72-F103 HydrophobicContact CB-CZ 3.74Å
73K90.4Very high86.1Confident55 Ų5549 Ų4924%0.23924%0.243CC..Hα-helixtrans-54.7-44.4176.9-162.3-175.2178.9178.80111.5L48 I51 E55 M69 L70 R71 V76 T77L48-K73 HydrophobicContact CD2-CB 4.32Å; L48-K73 HydrophobicContact CD2-CG 3.64Å; I51-K73 HydrophobicContact CD1-CB 4.42Å; I51-K73 HydrophobicContact CG2-CB 4.12Å; I51-K73 HydrophobicContact CG2-CD 4.03Å; I51-K73 HydrophobicContact CG2-CG 4.18Å; E55-K73 IonicContact OE1-NZ 3.73Å; E55-K73 IonicContact OE2-NZ 2.69Å; E55-K73 PolarHBondContact OE2-NZ 3.37Å; M69-K73 PolarHBondContact O-N 3.27Å; L70-K73 HydrophobicContact CD2-CD 4.05Å; L70-K73 WeakPolarHBondContact O-CB 3.29Å; L70-K73 PolarHBondContact O-N 3Å; L70-K73 VanDerWaalsContact O-N 3.15Å; R71-K73 VanDerWaalsContact C-N 3.31Å; R71-K73 PolarHBondContact O-N 3.26Å; K73-V76 PolarHBondContact O-N 3.21Å; K73-T77 WeakPolarHBondContact O-CB 3.27Å; K73-T77 VanDerWaalsContact O-CG2 3.26Å; K73-T77 WeakPolarHBondContact O-CG2 3.45Å; K73-T77 PolarHBondContact O-N 2.91Å; K73-T77 PolarHBondContact O-OG1 3.39Å
74E87.5Confident86.5Confident130 Ų13053.5 Ų53.561%0.60726%0.256SS*.Hα-helixtrans-62-45.2178.8-67.1178.8178.500112L70 R71 A72 T77 T78L70-E74 PolarHBondContact O-N 3.06Å; R71-E74 PolarHBondContact O-N 3.13Å; A72-E74 VanDerWaalsContact C-N 3.3Å; A72-E74 PolarHBondContact O-N 3.29Å; E74-T77 WeakPolarHBondContact CA-OG1 3.32Å; E74-T77 PolarHBondContact O-OG1 2.91Å; E74-T78 WeakPolarHBondContact O-CB 3.4Å; E74-T78 PolarHBondContact O-N 3.3Å; E74-T78 VanDerWaalsContact O-N 3.16Å; E74-T78 PolarHBondContact O-OG1 3.15Å
75H86.3Confident86.5Confident73 Ų7352.6 Ų52.634%0.33825%0.248SC..Hα-helixtrans-68.3-43.6178-66.1-55.7000112.4R71 A72 T78 R79 T98 A99R71-H75 PolarHBondContact O-CD2 3.42Å; R71-H75 VanDerWaalsContact O-CD2 3.24Å; A72-H75 PolarHBondContact O-N 3.23Å; H75-T78 PolarHBondContact O-N 3.08Å; H75-R79 WeakPolarHBondContact O-CB 3.41Å; H75-R79 PolarHBondContact O-N 3.49Å; H75-T98 PolarHBondContact CD2-O 3.01Å; H75-A99 HydrophobicContact CB-CB 3.85Å
76V89.1Confident86.2Confident0 Ų054.6 Ų54.60%025%0.254CS..Hα-helixtrans-64.4-45.2179.3172.50000110.9I25 Y44 L48 A72 K73 R79 L80 A99I25-V76 HydrophobicContact CD1-CG2 3.77Å; I25-V76 HydrophobicContact CG1-CG2 3.92Å; I25-V76 HydrophobicContact CG2-CG2 3.99Å; Y44-V76 HydrophobicContact CD1-CB 4.29Å; Y44-V76 HydrophobicContact CD1-CG1 3.48Å; Y44-V76 VanDerWaalsContact CD1-CG1 3.48Å; Y44-V76 HydrophobicContact CD1-CG2 4.02Å; Y44-V76 HydrophobicContact CE1-CG1 4.36Å; Y44-V76 HydrophobicContact CE1-CG2 4.27Å; Y44-V76 HydrophobicContact CG-CG1 3.92Å; L48-V76 HydrophobicContact CD1-CG1 3.92Å; L48-V76 HydrophobicContact CD2-CB 4.07Å; L48-V76 HydrophobicContact CD2-CG1 3.84Å; L48-V76 HydrophobicContact CG-CB 4.44Å; L48-V76 HydrophobicContact CG-CG1 3.66Å; A72-V76 WeakPolarHBondContact O-CB 3.37Å; A72-V76 VanDerWaalsContact O-CG2 3.29Å; A72-V76 WeakPolarHBondContact O-CG2 3.37Å; A72-V76 PolarHBondContact O-N 3Å; K73-V76 PolarHBondContact O-N 3.21Å; V76-R79 PolarHBondContact O-N 2.96Å; V76-L80 VanDerWaalsContact O-CB 3.24Å; V76-L80 WeakPolarHBondContact O-CB 3.44Å; V76-L80 PolarHBondContact O-N 3.49Å; V76-A99 HydrophobicContact CG2-CB 3.72Å
77T90.5Very high85.3Confident54 Ų5462.1 Ų62.133%0.33129%0.294SS..Hα-helixtrans-61.2-46.1178.247.20000111.8L48 K73 E74 R79 L80 D81L48-T77 HydrophobicContact CD1-CG2 3.99Å; L48-T77 HydrophobicContact CD2-CG2 4.02Å; K73-T77 WeakPolarHBondContact O-CB 3.27Å; K73-T77 VanDerWaalsContact O-CG2 3.26Å; K73-T77 WeakPolarHBondContact O-CG2 3.45Å; K73-T77 PolarHBondContact O-N 2.91Å; K73-T77 PolarHBondContact O-OG1 3.39Å; E74-T77 WeakPolarHBondContact CA-OG1 3.32Å; E74-T77 PolarHBondContact O-OG1 2.91Å; T77-R79 VanDerWaalsContact C-N 3.3Å; T77-R79 PolarHBondContact O-N 3.49Å; T77-L80 PolarHBondContact O-N 3.13Å; T77-D81 PolarHBondContact O-N 3.31Å
78T86.9Confident84Confident70 Ų7067.8 Ų67.843%0.42931%0.312SS..Hα-helixtrans-57.6-42.8174.9-53.60000111.8E74 H75 F82 I94E74-T78 WeakPolarHBondContact O-CB 3.4Å; E74-T78 PolarHBondContact O-N 3.3Å; E74-T78 VanDerWaalsContact O-N 3.16Å; E74-T78 PolarHBondContact O-OG1 3.15Å; H75-T78 PolarHBondContact O-N 3.08Å; T78-F82 PolarHBondContact O-N 3.09Å; T78-F82 VanDerWaalsContact O-N 3.12Å; T78-I94 HydrophobicContact CG2-CD1 3.57Å
79R87.5Confident82.5Confident13 Ų1368.4 Ų68.45%0.04933%0.328CS..Hα-helixtrans-70.2-37.1179.1-172.362.9-176.2157.911.9112.5D32 Y44 H75 V76 T77 F82 L83 I94D32-R79 IonicContact OD1-CZ 3.42Å; D32-R79 IonicContact OD1-NE 2.71Å; D32-R79 IonicContact OD1-NH2 3.29Å; D32-R79 PolarHBondContact OD1-NH2 2.98Å; D32-R79 IonicContact OD2-CZ 2.82Å; D32-R79 IonicContact OD2-NE 2.68Å; D32-R79 PolarHBondContact OD2-NE 3.44Å; D32-R79 IonicContact OD2-NH2 3.6Å; D32-R79 PolarHBondContact OD2-NH2 3Å; Y44-R79 HydrophobicContact CE2-CG 4.08Å; H75-R79 WeakPolarHBondContact O-CB 3.41Å; H75-R79 PolarHBondContact O-N 3.49Å; V76-R79 PolarHBondContact O-N 2.96Å; T77-R79 VanDerWaalsContact C-N 3.3Å; T77-R79 PolarHBondContact O-N 3.49Å; R79-F82 WeakPolarHBondContact O-CB 3.11Å; R79-F82 PolarHBondContact O-N 2.75Å; R79-L83 HydrophobicContact CG-CD1 4.49Å; R79-L83 WeakPolarHBondContact O-CG 3.31Å; R79-L83 PolarHBondContact O-N 2.94Å; R79-I94 PolarHBondContact NH1-O 3.49Å
80L88.1Confident80.5Confident7 Ų776.8 Ų76.84%0.03737%0.373CS..Hα-helixtrans-66.4-41.2178.3-153.9168.1000110.6V41 E45 L48 V76 T77 F82 L83 R84V41-L80 HydrophobicContact CG1-CD2 4.28Å; E45-L80 HydrophobicContact CG-CD1 3.9Å; L48-L80 HydrophobicContact CD1-CD1 3.65Å; V76-L80 VanDerWaalsContact O-CB 3.24Å; V76-L80 WeakPolarHBondContact O-CB 3.44Å; V76-L80 PolarHBondContact O-N 3.49Å; T77-L80 PolarHBondContact O-N 3.13Å; L80-F82 VanDerWaalsContact C-N 3.33Å; L80-F82 PolarHBondContact O-N 2.93Å; L80-L83 PolarHBondContact O-N 2.92Å; L80-R84 VanDerWaalsContact CD2-CD 3.47Å; L80-R84 HydrophobicContact CD2-CG 3.94Å; L80-R84 WeakPolarHBondContact O-CB 3.36Å; L80-R84 WeakPolarHBondContact O-CG 3.44Å; L80-R84 PolarHBondContact O-N 3.24Å
81D87.3Confident78.9Confident88 Ų8881 Ų8147%0.47139%0.389SS..Hα-helixtrans-63.7-38.2173-74.4-18.6000112.1T77 N85T77-D81 PolarHBondContact O-N 3.31Å; D81-N85 WeakPolarHBondContact O-CB 3.45Å; D81-N85 PolarHBondContact O-N 3.25Å; D81-N85 VanDerWaalsContact O-N 3.11Å; D81-N85 PolarHBondContact O-ND2 3.49Å
82F86.1Confident77.3Confident27 Ų2782.2 Ų82.212%0.11840%0.402CS..Hα-helixtrans-62.5-48.5171.5174.1-85.5000111.7T78 R79 L80 R84 N85 K86 F91T78-F82 PolarHBondContact O-N 3.09Å; T78-F82 VanDerWaalsContact O-N 3.12Å; R79-F82 WeakPolarHBondContact O-CB 3.11Å; R79-F82 PolarHBondContact O-N 2.75Å; L80-F82 VanDerWaalsContact C-N 3.33Å; L80-F82 PolarHBondContact O-N 2.93Å; F82-R84 VanDerWaalsContact C-N 3.35Å; F82-R84 PolarHBondContact O-N 3.16Å; F82-N85 CarbonylContact O-C 3.6Å; F82-N85 PolarHBondContact O-N 3.18Å; F82-K86 HydrophobicContact CE1-CD 4.4Å; F82-K86 HydrophobicContact CE1-CG 4.3Å; F82-K86 WeakPolarHBondContact O-CA 3.42Å; F82-K86 WeakPolarHBondContact O-CB 3.47Å; F82-K86 PolarHBondContact O-N 3Å; F82-F91 HydrophobicContact CD2-CB 3.59Å; F82-F91 HydrophobicContact CD2-CG 4.35Å; F82-F91 HydrophobicContact CE2-CB 3.45Å; F82-F91 VanDerWaalsContact CE2-CB 3.45Å
83L85.8Confident75.9Confident11 Ų1191.7 Ų91.76%0.05844%0.438CS..Hα-helixtrans-64-39.1-178.3-73.4175.4000112.1A40 V41 Y44 R79 L80A40-L83 HydrophobicContact CB-CD1 3.98Å; V41-L83 HydrophobicContact CG2-CB 3.87Å; V41-L83 HydrophobicContact CG2-CD1 4.23Å; Y44-L83 HydrophobicContact CD2-CD1 3.89Å; Y44-L83 HydrophobicContact CE2-CD1 3.67Å; R79-L83 HydrophobicContact CG-CD1 4.49Å; R79-L83 WeakPolarHBondContact O-CG 3.31Å; R79-L83 PolarHBondContact O-N 2.94Å; L80-L83 PolarHBondContact O-N 2.92Å
84R85.8Confident74.4Confident141 Ų14192.5 Ų92.553%0.53244%0.444SS..Hα-helixtrans-68.6-32176.2-75.2176172.8168.21.2113.3E45 L80 F82E45-R84 IonicContact OE1-CZ 3.7Å; E45-R84 IonicContact OE1-NE 3.98Å; E45-R84 IonicContact OE1-NH2 2.66Å; E45-R84 PolarHBondContact OE1-NH2 3.36Å; L80-R84 VanDerWaalsContact CD2-CD 3.47Å; L80-R84 HydrophobicContact CD2-CG 3.94Å; L80-R84 WeakPolarHBondContact O-CB 3.36Å; L80-R84 WeakPolarHBondContact O-CG 3.44Å; L80-R84 PolarHBondContact O-N 3.24Å; F82-R84 VanDerWaalsContact C-N 3.35Å; F82-R84 PolarHBondContact O-N 3.16Å
85N82.6Confident73.2Confident60 Ų6090.1 Ų90.132%0.32144%0.44SS..Hα-helixtrans-101.64.6-177.8-67.1-55000114.1D81 F82 D87 R88D81-N85 WeakPolarHBondContact O-CB 3.45Å; D81-N85 PolarHBondContact O-N 3.25Å; D81-N85 VanDerWaalsContact O-N 3.11Å; D81-N85 PolarHBondContact O-ND2 3.49Å; F82-N85 CarbonylContact O-C 3.6Å; F82-N85 PolarHBondContact O-N 3.18Å; N85-D87 PolarHBondContact O-N 3.37Å; N85-R88 WeakPolarHBondContact O-CB 3.48Å; N85-R88 PolarHBondContact O-N 3.3Å
86K73.7Confident72Confident86 Ų8687.5 Ų87.537%0.37443%0.429SS..G310 helixtrans-53.1-31.4-174.4-169.2178.8175.8-173.40113.4D37 F82 R88D37-K86 IonicContact OD1-NZ 2.69Å; D37-K86 PolarHBondContact OD1-NZ 3.12Å; D37-K86 WeakPolarHBondContact OD2-CD 3.37Å; D37-K86 IonicContact OD2-NZ 3.18Å; D37-K86 PolarHBondContact OD2-NZ 3.37Å; F82-K86 HydrophobicContact CE1-CD 4.4Å; F82-K86 HydrophobicContact CE1-CG 4.3Å; F82-K86 WeakPolarHBondContact O-CA 3.42Å; F82-K86 WeakPolarHBondContact O-CB 3.47Å; F82-K86 PolarHBondContact O-N 3Å; K86-R88 PolarHBondContact O-N 3.23Å
87D65.3Low70.7Confident164 Ų16490.7 Ų90.788%0.87745%0.449SS*.G310 helixtrans-72.7-6.9178.4-68.2-24.8000114.3N85N85-D87 PolarHBondContact O-N 3.37Å
88R58.7Low69.4Low206 Ų20690.2 Ų90.278%0.77745%0.446SS*.G310 helixtrans-96.59.7-175-66.3-171.9176.7-172.10.7116.1N85 K86N85-R88 WeakPolarHBondContact O-CB 3.48Å; N85-R88 PolarHBondContact O-N 3.3Å; K86-R88 PolarHBondContact O-N 3.23Å
89G51.9Low68.2Low48 Ų4887 Ų8750%0.49543%0.427SS..SBendtrans86.5147.5171.100000115.1F91G89-F91 PolarHBondContact O-N 3.05Å; G89-F91 VanDerWaalsContact O-N 3.16Å
90N46.5Very low67.2Low178 Ų17888 Ų8895%0.95243%0.433SS*.  trans25.163.8173.9-72.3-0.8000118
91F53.2Low66.1Low136 Ų13693.5 Ų93.560%0.59646%0.463SS*.  trans-93.9135.6156.7-85.7-91.5000110.3F82 G89 R93F82-F91 HydrophobicContact CD2-CB 3.59Å; F82-F91 HydrophobicContact CD2-CG 4.35Å; F82-F91 HydrophobicContact CE2-CB 3.45Å; F82-F91 VanDerWaalsContact CE2-CB 3.45Å; G89-F91 PolarHBondContact O-N 3.05Å; G89-F91 VanDerWaalsContact O-N 3.16Å; F91-R93 PolarHBondContact O-N 2.69Å
92E53.9Low64.8Low179 Ų17990 Ų9084%0.83645%0.446SS*.  trans-55.4132.2169.7-96.8-177.6151.900110.1I94E92-I94 PolarHBondContact O-N 2.95Å
93R55.9Low63.6Low200 Ų20089 Ų8976%0.75544%0.442SS*.  trans-75.795.4-178.8-169.2179.6-173-1731.9109.2F91F91-R93 PolarHBondContact O-N 2.69Å
94I60.4Low62.1Low71 Ų7192.5 Ų92.536%0.36446%0.458SS..  trans-66.7128.1170-55.9169.7000108.3T78 R79 E92 S96T78-I94 HydrophobicContact CG2-CD1 3.57Å; R79-I94 PolarHBondContact NH1-O 3.49Å; E92-I94 PolarHBondContact O-N 2.95Å; I94-S96 PolarHBondContact O-N 2.82Å
95P60.9Low60.2Low81 Ų8190.7 Ų90.753%0.52646%0.464SS..  trans-57.1129.9175.9-2232.4000110.9T97 T98P95-T97 PolarHBondContact O-N 3.24Å; P95-T98 PolarHBondContact O-OG1 2.96Å
96S61.1Low58.5Low17 Ų1790.4 Ų90.412%0.11947%0.466CS..THydrogen-bonded Turntrans-62.9-23.8176.942.70000112.6I29 I94 T98I29-S96 VanDerWaalsContact CD1-O 3.26Å; I29-S96 WeakPolarHBondContact CD1-O 3.47Å; I29-S96 WeakPolarHBondContact CG1-O 3.23Å; I94-S96 PolarHBondContact O-N 2.82Å; S96-T98 VanDerWaalsContact C-N 3.29Å; S96-T98 PolarHBondContact O-N 3.09Å
97T61.6Low57.4Low67 Ų6794 Ų9441%0.41148%0.482SS..THydrogen-bonded Turntrans-66.4-23.6-175.255.60000114.4P95 A99 L100 D101P95-T97 PolarHBondContact O-N 3.24Å; T97-A99 PolarHBondContact O-N 3.06Å; T97-A99 VanDerWaalsContact O-N 3.15Å; T97-L100 PolarHBondContact O-N 3.17Å; T97-D101 PolarHBondContact O-N 3.39Å
98T63.5Low57Low44 Ų4489.9 Ų89.927%0.2746%0.46SS..Hα-helixtrans-63.1-26.7-173.5-34.80000113H75 P95 S96 L100H75-T98 PolarHBondContact CD2-O 3.01Å; P95-T98 PolarHBondContact O-OG1 2.96Å; S96-T98 VanDerWaalsContact C-N 3.29Å; S96-T98 PolarHBondContact O-N 3.09Å; T98-L100 VanDerWaalsContact C-N 3.33Å
99A62.8Low57.4Low3 Ų380.9 Ų80.93%0.02543%0.429CS..Hα-helixtrans-68.5-31.9176.500000113I25 H75 V76 T97I25-A99 HydrophobicContact CG2-CB 3.94Å; H75-A99 HydrophobicContact CB-CB 3.85Å; V76-A99 HydrophobicContact CG2-CB 3.72Å; T97-A99 PolarHBondContact O-N 3.06Å; T97-A99 VanDerWaalsContact O-N 3.15Å
100L66.4Low58.7Low33 Ų3384.8 Ų84.817%0.17344%0.435CS..Hα-helixtrans-77.6-31.6179.9-131.390.5000111.6Y22 I25 D26 I29 T97 T98 A102 F103Y22-L100 HydrophobicContact CD2-CG 4.45Å; Y22-L100 HydrophobicContact CE2-CD1 4.33Å; Y22-L100 HydrophobicContact CE2-CD2 3.82Å; Y22-L100 HydrophobicContact CE2-CG 3.78Å; Y22-L100 WeakPolarHBondContact OH-CD2 3.37Å; I25-L100 HydrophobicContact CG2-CD1 4.05Å; D26-L100 HydrophobicContact CB-CD1 3.82Å; I29-L100 HydrophobicContact CD1-CB 4.01Å; I29-L100 HydrophobicContact CD1-CD1 3.55Å; I29-L100 HydrophobicContact CD1-CG 4.36Å; T97-L100 PolarHBondContact O-N 3.17Å; T98-L100 VanDerWaalsContact C-N 3.33Å; L100-A102 PolarHBondContact O-N 3.29Å; L100-A102 VanDerWaalsContact O-N 3.13Å; L100-F103 PolarHBondContact O-N 2.68Å
101D63.8Low60.5Low124 Ų12479.9 Ų79.966%0.66341%0.408SS*.Hα-helixtrans-60.3-23.5179.1-64.5-28.2000112.7T97 F103T97-D101 PolarHBondContact O-N 3.39Å; D101-F103 VanDerWaalsContact C-N 3.31Å
102A61.6Low62.2Low15 Ų1576.4 Ų76.412%0.12440%0.395CS..THydrogen-bonded Turntrans-72.7-22.3174.900000113.5K68 R71 A72 L100K68-A102 WeakPolarHBondContact CB-O 3.14Å; R71-A102 HydrophobicContact CB-CB 3.86Å; A72-A102 HydrophobicContact CB-CB 3.88Å; L100-A102 PolarHBondContact O-N 3.29Å; L100-A102 VanDerWaalsContact O-N 3.13Å
103F60.3Low64Low6 Ų668.8 Ų68.83%0.02636%0.359CS..SBendtrans-89.4122.4173-68.1-92.7000109.2Y18 A21 Y22 I25 M69 A72 L100 D101Y18-F103 HydrophobicContact CD2-CD1 4.11Å; Y18-F103 HydrophobicContact CD2-CE1 4.11Å; Y18-F103 HydrophobicContact CE1-CD1 4.08Å; Y18-F103 AromaticContact CE2-CD1 3.5Å; Y18-F103 HydrophobicContact CE2-CD1 3.5Å; Y18-F103 AromaticContact CE2-CE1 3.94Å; Y18-F103 HydrophobicContact CE2-CE1 3.94Å; Y18-F103 AromaticContact CZ-CD1 3.5Å; Y18-F103 VanDerWaalsContact CZ-CD1 3.5Å; A21-F103 HydrophobicContact CB-CE1 4.39Å; A21-F103 HydrophobicContact CB-CZ 4.18Å; Y22-F103 HydrophobicContact CD2-CB 3.47Å; Y22-F103 VanDerWaalsContact CD2-CB 3.47Å; Y22-F103 AromaticContact CD2-CD1 3.94Å; Y22-F103 HydrophobicContact CD2-CD1 3.94Å; Y22-F103 HydrophobicContact CD2-CD2 4.04Å; Y22-F103 AromaticContact CD2-CG 3.58Å; Y22-F103 HydrophobicContact CD2-CG 3.58Å; Y22-F103 HydrophobicContact CE2-CB 3.82Å; Y22-F103 HydrophobicContact CE2-CG 4.37Å; I25-F103 HydrophobicContact CD1-CE2 3.54Å; I25-F103 HydrophobicContact CD1-CZ 3.74Å; M69-F103 HydrophobicContact CG-CE1 3.96Å; M69-F103 HydrophobicContact CG-CZ 4.42Å; A72-F103 HydrophobicContact CB-CD2 3.87Å; A72-F103 HydrophobicContact CB-CE2 3.2Å; A72-F103 HydrophobicContact CB-CZ 3.74Å; L100-F103 PolarHBondContact O-N 2.68Å; D101-F103 VanDerWaalsContact C-N 3.31Å
104E54Low65.7Low84 Ų8463.1 Ų63.139%0.39334%0.341SS..PPolyproline II helixtrans-67.1135168.8-86.4177.8-140.800109Y18 K68 C106 K107Y18-E104 PolarHBondContact OH-N 2.71Å; Y18-E104 VanDerWaalsContact OH-N 3.16Å; Y18-E104 PolarHBondContact OH-O 3.19Å; K68-E104 HydrophobicContact CD-CB 4.48Å; K68-E104 VanDerWaalsContact CE-CD 3.44Å; K68-E104 WeakPolarHBondContact CE-OE1 3.31Å; K68-E104 IonicContact NZ-OE1 2.92Å; K68-E104 PolarHBondContact NZ-OE1 3.28Å; K68-E104 IonicContact NZ-OE2 2.94Å; K68-E104 PolarHBondContact NZ-OE2 3.04Å; E104-C106 PolarHBondContact O-N 3.31Å; E104-K107 IonicContact OE2-NZ 2.72Å; E104-K107 PolarHBondContact OE2-NZ 2.86Å
105P46Very low67.2Low102 Ų10260 Ų6066%0.66233%0.325SS*.PPolyproline II helixtrans-56.7134171.422.6-30.5000109K107P105-K107 PolarHBondContact O-N 3.49Å
106C46.5Very low68.3Low55 Ų5560.7 Ų60.737%0.37233%0.332SS..  trans-45.6116.9177.5-97.80000110.6H19 E104 D108H19-C106 PolarHBondContact CE1-SG 3.31Å; E104-C106 PolarHBondContact O-N 3.31Å; C106-D108 PolarHBondContact SG-OD2 3.25Å
107K50Low69.3Low162 Ų16266.3 Ų66.370%0.70436%0.356SS*.  trans-83.91.3173.1-69.8177.9179.1158.50112.5E104 P105 A109E104-K107 IonicContact OE2-NZ 2.72Å; E104-K107 PolarHBondContact OE2-NZ 2.86Å; P105-K107 PolarHBondContact O-N 3.49Å; K107-A109 PolarHBondContact O-N 3.03Å
108D58.7Low70.2Confident76 Ų7663.2 Ų63.241%0.40634%0.337SS..SBendtrans-74.3-8.7-172.1-41.3-46.3000112.4C106 W143 A144C106-D108 PolarHBondContact SG-OD2 3.25Å; D108-W143 HydrophobicContact CB-CE3 3.87Å; D108-W143 HydrophobicContact CB-CZ3 3.84Å; D108-W143 WeakPolarHBondContact O-CA 3.36Å; D108-A144 PolarHBondContact O-N 3.24Å
109A66.8Low71.3Confident17 Ų1761.1 Ų61.114%0.1432%0.324CS..EExtended strand (participates in β ladder)trans-115.4117176.400000110.9K107 F141 K142 W143 F195K107-A109 PolarHBondContact O-N 3.03Å; A109-F141 HydrophobicContact CB-CB 3.91Å; A109-F141 HydrophobicContact CB-CD1 4.46Å; A109-K142 CarbonylContact C-O 3.58Å; A109-K142 VanDerWaalsContact CA-O 3.3Å; A109-K142 WeakPolarHBondContact CA-O 3.43Å; A109-W143 HydrophobicContact CB-CD2 4.18Å; A109-W143 HydrophobicContact CB-CE3 3.9Å; A109-W143 HydrophobicContact CB-CH2 4.49Å; A109-W143 HydrophobicContact CB-CZ3 4.08Å; A109-F195 HydrophobicContact CB-CE1 3.67Å; A109-F195 HydrophobicContact CB-CZ 4.1Å
110E78.9Confident72.2Confident130 Ų13063.6 Ų63.661%0.60734%0.335SS*.EExtended strand (participates in β ladder)trans-81.3132.3176.6-174.6178.7-179.100109.9I112 F141 K142E110-I112 PolarHBondContact O-N 3.43Å; E110-F141 CarbonylContact O-C 3.58Å; E110-F141 WeakPolarHBondContact O-CA 3.26Å; E110-K142 PolarHBondContact N-O 2.88Å; E110-K142 PolarHBondContact O-N 3.19Å
111L84.2Confident73Confident76 Ų7663.2 Ų63.240%0.39833%0.333SS..EExtended strand (participates in β ladder)trans-71.6111.5173.2178.571.7000109.2F113 Q114 Q139 F141L111-F113 WeakPolarHBondContact CD1-O 3.45Å; L111-Q114 HydrophobicContact CD2-CB 4.44Å; L111-Q139 HydrophobicContact CD1-CB 3.73Å; L111-Q139 HydrophobicContact CD1-CG 4.03Å; L111-F141 HydrophobicContact CB-CD1 4.06Å; L111-F141 HydrophobicContact CB-CE1 3.89Å; L111-F141 HydrophobicContact CD1-CD1 4.22Å; L111-F141 HydrophobicContact CD1-CE1 3.82Å; L111-F141 HydrophobicContact CD1-CE2 4.2Å; L111-F141 HydrophobicContact CD1-CZ 3.81Å; L111-F141 HydrophobicContact CG-CE1 4.44Å
112I89.2Confident73.6Confident62 Ų6258.3 Ų58.332%0.31831%0.306SS..EExtended strand (participates in β ladder)trans-96.5-25.3-178.456.6162.4000113.1E110 I140 K142 I253 M257E110-I112 PolarHBondContact O-N 3.43Å; I112-I140 HydrophobicContact CD1-CB 4.34Å; I112-I140 HydrophobicContact CD1-CG2 3.75Å; I112-I140 HydrophobicContact CG1-CB 4.01Å; I112-I140 HydrophobicContact CG1-CG2 3.9Å; I112-I140 WeakPolarHBondContact CG1-O 3.37Å; I112-I140 PolarHBondContact N-O 3.29Å; I112-K142 HydrophobicContact CD1-CB 4.2Å; I112-K142 HydrophobicContact CG1-CB 4.4Å; I112-K142 HydrophobicContact CG2-CB 3.53Å; I112-K142 HydrophobicContact CG2-CD 4.33Å; I112-I253 HydrophobicContact CD1-CG2 3.84Å; I112-M257 HydrophobicContact CD1-CE 4.45Å; I112-M257 HydrophobicContact CD1-SD 3.59Å; I112-M257 VanDerWaalsContact CD1-SD 3.59Å
113F92.3Very high74.3Confident20 Ų2061.1 Ų61.19%0.08832%0.317CS..EExtended strand (participates in β ladder)trans-156.4143.3-177.4-177.7-107.4000112.3L111 I115 L138 Q139 I140 D246 K249 F250 I253L111-F113 WeakPolarHBondContact CD1-O 3.45Å; F113-I115 HydrophobicContact CE1-CD1 3.86Å; F113-I115 HydrophobicContact CE1-CG1 3.62Å; F113-I115 HydrophobicContact CZ-CD1 4.12Å; F113-I115 HydrophobicContact CZ-CG1 3.73Å; F113-L138 HydrophobicContact CD1-CD2 4.16Å; F113-L138 HydrophobicContact CE1-CD2 4.27Å; F113-Q139 CarbonylContact O-C 3.46Å; F113-Q139 WeakPolarHBondContact O-CA 3.21Å; F113-I140 HydrophobicContact CB-CB 4.26Å; F113-I140 HydrophobicContact CB-CD1 4.41Å; F113-I140 HydrophobicContact CB-CG1 4.43Å; F113-I140 HydrophobicContact CD1-CD1 3.9Å; F113-I140 HydrophobicContact CD1-CG1 4.21Å; F113-I140 PolarHBondContact N-O 3.23Å; F113-I140 PolarHBondContact O-N 3.07Å; F113-D246 HydrophobicContact CZ-CB 4.18Å; F113-D246 VanDerWaalsContact CZ-O 3.31Å; F113-D246 WeakPolarHBondContact CZ-O 3.46Å; F113-K249 HydrophobicContact CD2-CB 4.29Å; F113-K249 HydrophobicContact CE2-CB 3.71Å; F113-K249 HydrophobicContact CE2-CD 4.18Å; F113-K249 HydrophobicContact CZ-CB 4.25Å; F113-F250 HydrophobicContact CD1-CD2 4.32Å; F113-F250 HydrophobicContact CE1-CB 3.75Å; F113-F250 AromaticContact CE1-CD2 3.98Å; F113-F250 HydrophobicContact CE1-CD2 3.98Å; F113-F250 HydrophobicContact CE1-CG 4.36Å; F113-F250 HydrophobicContact CZ-CB 4.1Å; F113-I253 HydrophobicContact CB-CD1 3.37Å; F113-I253 HydrophobicContact CD1-CD1 4.16Å; F113-I253 HydrophobicContact CD2-CD1 4Å; F113-I253 HydrophobicContact CG-CD1 3.58Å
114Q91.6Very high74.5Confident81 Ų8162.2 Ų62.238%0.37932%0.324SS..EExtended strand (participates in β ladder)trans-145134.7177.9178.3174.8-47.800111.5L111 L138 Q139L111-Q114 HydrophobicContact CD2-CB 4.44Å; Q114-L138 CarbonylContact C-O 3.23Å; Q114-L138 VanDerWaalsContact CA-O 3.25Å; Q114-L138 WeakPolarHBondContact CA-O 3.5Å; Q114-Q139 HydrophobicContact CB-CG 4.42Å; Q114-Q139 HydrophobicContact CG-CG 4.02Å
115I91.1Very high75.1Confident6 Ų661.4 Ų61.43%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-106.3118.1162.2-61.6171.5000106.6F113 E117 V119 C137 L138 F238 V242F113-I115 HydrophobicContact CE1-CD1 3.86Å; F113-I115 HydrophobicContact CE1-CG1 3.62Å; F113-I115 HydrophobicContact CZ-CD1 4.12Å; F113-I115 HydrophobicContact CZ-CG1 3.73Å; I115-E117 WeakPolarHBondContact CG2-O 3.42Å; I115-V119 HydrophobicContact CB-CG2 4.01Å; I115-V119 HydrophobicContact CD1-CG2 4.07Å; I115-V119 HydrophobicContact CG2-CG2 3.78Å; I115-C137 CarbonylContact O-C 3.58Å; I115-C137 WeakPolarHBondContact O-CA 3.4Å; I115-C137 WeakPolarHBondContact O-CB 3.3Å; I115-L138 HydrophobicContact CB-CB 4.36Å; I115-L138 PolarHBondContact N-O 3.3Å; I115-L138 PolarHBondContact O-N 2.78Å; I115-F238 HydrophobicContact CD1-CD1 4.32Å; I115-F238 HydrophobicContact CD1-CE1 3.69Å; I115-F238 HydrophobicContact CD1-CZ 4Å; I115-V242 HydrophobicContact CD1-CG1 4.26Å; I115-V242 HydrophobicContact CG2-CG1 4.34Å; I115-V242 HydrophobicContact CG2-CG2 4.29Å
116S84.4Confident75.7Confident94 Ų9458.3 Ų58.366%0.65731%0.308SS*.EExtended strand (participates in β ladder)trans-68.4-36.7-172.9-60.70000113.2C137S116-C137 VanDerWaalsContact O-CB 3.32Å; S116-C137 WeakPolarHBondContact O-CB 3.26Å
117E81.5Confident75.7Confident136 Ų13660 Ų6064%0.63631%0.314SS*.EExtended strand (participates in β ladder)trans-157.1160.5179.4-164.1169.6-17200109.3I115 P135I115-E117 WeakPolarHBondContact CG2-O 3.42Å; E117-P135 HydrophobicContact CG-CB 4.22Å
118G81.1Confident75.5Confident1 Ų158.4 Ų58.41%0.0131%0.308CS..EExtended strand (participates in β ladder)trans105.31.4177.400000115F238 S239G118-F238 CarbonylContact O-C 3.59Å; G118-S239 VanDerWaalsContact O-CB 3.3Å; G118-S239 WeakPolarHBondContact O-CB 3.37Å; G118-S239 PolarHBondContact O-N 3.27Å
119V86Confident75.7Confident0 Ų059.3 Ų59.30%032%0.317CS..EExtended strand (participates in β ladder)trans-98.5124175.9-171.20000110.7I115 P135 T136 L138 V198 L236 F238I115-V119 HydrophobicContact CB-CG2 4.01Å; I115-V119 HydrophobicContact CD1-CG2 4.07Å; I115-V119 HydrophobicContact CG2-CG2 3.78Å; V119-P135 CarbonylContact O-C 3.58Å; V119-T136 WeakPolarHBondContact CB-O 3.46Å; V119-T136 PolarHBondContact N-O 2.76Å; V119-T136 VanDerWaalsContact N-O 3.07Å; V119-T136 PolarHBondContact O-N 3.02Å; V119-T136 PolarHBondContact O-OG1 3.02Å; V119-L138 HydrophobicContact CB-CB 4.17Å; V119-L138 HydrophobicContact CG1-CB 4.26Å; V119-L138 HydrophobicContact CG1-CD1 4.06Å; V119-L138 HydrophobicContact CG2-CB 3.62Å; V119-L138 HydrophobicContact CG2-CD1 4.41Å; V119-V198 HydrophobicContact CG1-CG1 4.45Å; V119-L236 HydrophobicContact CG1-CB 4.47Å; V119-L236 HydrophobicContact CG1-CD2 4.21Å; V119-F238 HydrophobicContact CB-CD1 4.45Å; V119-F238 HydrophobicContact CG1-CD1 4.29Å; V119-F238 HydrophobicContact CG1-CE1 4.14Å; V119-F238 HydrophobicContact CG2-CD1 3.84Å; V119-F238 HydrophobicContact CG2-CE1 3.78Å
120Q82.6Confident75.6Confident55 Ų5559.9 Ų59.926%0.25732%0.32SS..EExtended strand (participates in β ladder)trans-110130.4176.4-59.9-174.1-83.600110.3P132 S133 P135 L236 V237Q120-P132 HydrophobicContact CB-CB 4.11Å; Q120-S133 WeakPolarHBondContact CG-O 3.48Å; Q120-S133 PolarHBondContact NE2-O 2.88Å; Q120-P135 HydrophobicContact CG-CG 4.19Å; Q120-L236 WeakPolarHBondContact O-CA 3.36Å; Q120-V237 PolarHBondContact N-O 3.15Å; Q120-V237 PolarHBondContact O-N 3.24Å
121I82.3Confident75.1Confident25 Ų2559 Ų5913%0.12832%0.323CS..EExtended strand (participates in β ladder)trans-103.9137.3178.1-174.9164.2000110.6P132 S133 V198 W201 V234 G235 L236I121-P132 CarbonylContact O-C 3.55Å; I121-P132 WeakPolarHBondContact O-CA 3.46Å; I121-S133 WeakPolarHBondContact CG2-OG 3.39Å; I121-S133 PolarHBondContact N-OG 3.22Å; I121-S133 PolarHBondContact O-N 3.37Å; I121-V198 HydrophobicContact CB-CG1 4.27Å; I121-V198 HydrophobicContact CD1-CB 4.44Å; I121-V198 HydrophobicContact CD1-CG1 4.48Å; I121-V198 HydrophobicContact CG2-CG1 4.42Å; I121-W201 HydrophobicContact CD1-CB 3.65Å; I121-W201 HydrophobicContact CD1-CD2 3.8Å; I121-W201 HydrophobicContact CD1-CE3 3.89Å; I121-W201 HydrophobicContact CD1-CG 3.73Å; I121-V234 HydrophobicContact CD1-CG1 3.44Å; I121-V234 VanDerWaalsContact CD1-CG1 3.44Å; I121-V234 HydrophobicContact CG1-CG1 3.54Å; I121-G235 CarbonylContact C-O 3.5Å; I121-G235 WeakPolarHBondContact CA-O 3.42Å; I121-L236 HydrophobicContact CB-CD2 3.93Å; I121-L236 HydrophobicContact CD1-CD2 4.16Å; I121-L236 HydrophobicContact CG1-CD2 3.98Å
122F76.2Confident74.7Confident21 Ų2158.4 Ų58.49%0.09232%0.324CS..EExtended strand (participates in β ladder)trans-134.1154.2171.366.2-82.3000110.6V124 S130 P132 A219 M221 V234 G235 V237F122-V124 HydrophobicContact CD2-CG2 4Å; F122-V124 HydrophobicContact CE2-CG2 3.72Å; F122-S130 WeakPolarHBondContact CA-OG 3.5Å; F122-P132 HydrophobicContact CB-CG 4.41Å; F122-A219 HydrophobicContact CE1-CB 4.43Å; F122-A219 HydrophobicContact CZ-CB 4.48Å; F122-M221 HydrophobicContact CE2-CE 3.89Å; F122-M221 HydrophobicContact CE2-SD 4.45Å; F122-M221 HydrophobicContact CZ-CE 3.73Å; F122-M221 HydrophobicContact CZ-SD 4.26Å; F122-V234 CarbonylContact O-C 3.49Å; F122-V234 WeakPolarHBondContact O-CA 3.35Å; F122-G235 VanDerWaalsContact CD1-O 3.27Å; F122-G235 WeakPolarHBondContact CD1-O 3.29Å; F122-G235 VanDerWaalsContact CE1-C 3.46Å; F122-G235 VanDerWaalsContact CE1-CA 3.47Å; F122-G235 PolarHBondContact N-O 3.14Å; F122-G235 PolarHBondContact O-N 3.29Å; F122-V237 HydrophobicContact CD1-CG2 3.95Å; F122-V237 HydrophobicContact CE1-CG2 3.45Å; F122-V237 VanDerWaalsContact CE1-CG2 3.45Å; F122-V237 HydrophobicContact CZ-CG2 4.49Å
123Q76.5Confident73.8Confident75 Ų7557 Ų5735%0.3532%0.319SS..EExtended strand (participates in β ladder)trans-111.4132.9178.9-64.5172.1-8.600108.4I125 T129 S130 Y232Q123-I125 HydrophobicContact CB-CG1 4.41Å; Q123-T129 CarbonylContact O-C 3.57Å; Q123-T129 VanDerWaalsContact O-CA 3.29Å; Q123-T129 WeakPolarHBondContact O-CA 3.44Å; Q123-S130 PolarHBondContact N-OG 3.44Å; Q123-S130 PolarHBondContact O-N 2.55Å; Q123-Y232 PolarHBondContact NE2-OH 2.95Å; Q123-Y232 VanDerWaalsContact NE2-OH 3.09Å
124V65.3Low72.9Confident28 Ų2864.7 Ų64.717%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-103.9118.8169-171.60000105.5F122 E128 T129 M221 G231 Y232 T233F122-V124 HydrophobicContact CD2-CG2 4Å; F122-V124 HydrophobicContact CE2-CG2 3.72Å; V124-E128 CarbonylContact C-O 3.36Å; V124-E128 WeakPolarHBondContact CA-O 3.29Å; V124-T129 HydrophobicContact CG1-CG2 4.32Å; V124-T129 HydrophobicContact CG2-CG2 4.13Å; V124-M221 HydrophobicContact CG2-CE 4.3Å; V124-G231 VanDerWaalsContact O-O 3.1Å; V124-Y232 CarbonylContact O-C 3.47Å; V124-Y232 VanDerWaalsContact O-CA 3.26Å; V124-Y232 WeakPolarHBondContact O-CA 3.34Å; V124-T233 WeakPolarHBondContact CA-O 3.36Å; V124-T233 WeakPolarHBondContact CB-O 3.41Å; V124-T233 PolarHBondContact N-O 3.22Å; V124-T233 PolarHBondContact O-N 3.03Å
125I65.1Low72.3Confident68 Ų6862.9 Ų62.935%0.34934%0.344SS..EExtended strand (participates in β ladder)trans-122.696.8178.4-49.5-175.7000107.1Q123 N127 E128 Y232Q123-I125 HydrophobicContact CB-CG1 4.41Å; I125-N127 PolarHBondContact O-N 3.12Å; I125-E128 PolarHBondContact N-O 3.48Å; I125-E128 PolarHBondContact O-N 2.91Å; I125-Y232 HydrophobicContact CB-CD2 4.37Å; I125-Y232 HydrophobicContact CD1-CD2 3.89Å; I125-Y232 HydrophobicContact CD1-CE2 3.64Å; I125-Y232 HydrophobicContact CG1-CD2 3.57Å; I125-Y232 HydrophobicContact CG1-CE2 3.7Å; I125-Y232 HydrophobicContact CG2-CD2 4.27Å
126G59.1Low71.8Confident36 Ų3664.1 Ų64.137%0.37135%0.352SS..THydrogen-bonded Turntrans58.6-104.2-170.200000110.6G231G126-G231 PolarHBondContact N-O 3.36Å
127N47.1Very low71.9Confident92 Ų9262 Ų6249%0.49234%0.337SS..THydrogen-bonded Turntrans-104.6-1.7-178-63.21.7000113.7I125 F456I125-N127 PolarHBondContact O-N 3.12Å; N127-F456 HydrophobicContact CB-CD2 3.99Å; N127-F456 HydrophobicContact CB-CE2 4.33Å; N127-F456 HydrophobicContact CB-CG 4.44Å
128E46.2Very low72.4Confident127 Ų12755.6 Ų55.659%0.59331%0.307SS*.EExtended strand (participates in β ladder)trans-102.5130.3-179.4-66.5-173.7-17000110.4V124 I125V124-E128 CarbonylContact C-O 3.36Å; V124-E128 WeakPolarHBondContact CA-O 3.29Å; I125-E128 PolarHBondContact N-O 3.48Å; I125-E128 PolarHBondContact O-N 2.91Å
129T61.3Low72.8Confident96 Ų9657.5 Ų57.559%0.58932%0.316SS*.EExtended strand (participates in β ladder)trans-103.4139.4169.957.20000110.7Q123 V124Q123-T129 CarbonylContact O-C 3.57Å; Q123-T129 VanDerWaalsContact O-CA 3.29Å; Q123-T129 WeakPolarHBondContact O-CA 3.44Å; V124-T129 HydrophobicContact CG1-CG2 4.32Å; V124-T129 HydrophobicContact CG2-CG2 4.13Å
130S66.4Low73Confident29 Ų2957.5 Ų57.520%0.20332%0.316CS..PPolyproline II helixtrans-73.2154.9169.2810000109.8F122 Q123F122-S130 WeakPolarHBondContact CA-OG 3.5Å; Q123-S130 PolarHBondContact N-OG 3.44Å; Q123-S130 PolarHBondContact O-N 2.55Å
131V66.9Low73.1Confident111 Ų11156.4 Ų56.467%0.67331%0.31SS*.PPolyproline II helixtrans-61.7134.4165.6-176.90000107.2
132P76.2Confident73.2Confident63 Ų6359.4 Ų59.441%0.40932%0.322SS..PPolyproline II helixtrans-52.7142172.3-25.633.9000110.9Q120 I121 F122Q120-P132 HydrophobicContact CB-CB 4.11Å; I121-P132 CarbonylContact O-C 3.55Å; I121-P132 WeakPolarHBondContact O-CA 3.46Å; F122-P132 HydrophobicContact CB-CG 4.41Å
133S70.4Confident73.1Confident32 Ų3261.1 Ų61.122%0.22433%0.328CS..PPolyproline II helixtrans-60.5167173.9690000110.9Q120 I121Q120-S133 WeakPolarHBondContact CG-O 3.48Å; Q120-S133 PolarHBondContact NE2-O 2.88Å; I121-S133 WeakPolarHBondContact CG2-OG 3.39Å; I121-S133 PolarHBondContact N-OG 3.22Å; I121-S133 PolarHBondContact O-N 3.37Å
134Y73.5Confident72.3Confident182 Ų18260.6 Ų60.671%0.71434%0.337SS*.SBendtrans-56.1151.8158.8-68.4-80.7000109.5T136Y134-T136 WeakPolarHBondContact O-CG2 3.48Å; Y134-T136 PolarHBondContact O-N 3.44Å
135P80.1Confident71.5Confident44 Ų4462.8 Ų62.829%0.28637%0.365SS..PPolyproline II helixtrans-49.5130.6169.7-27.336000110.5E117 V119 Q120E117-P135 HydrophobicContact CG-CB 4.22Å; V119-P135 CarbonylContact O-C 3.58Å; Q120-P135 HydrophobicContact CG-CG 4.19Å
136T78.7Confident70.4Confident31 Ų3166 Ų6619%0.1938%0.383CS..EExtended strand (participates in β ladder)trans-135.9170.7-176.149.10000110.1V119 Y134V119-T136 WeakPolarHBondContact CB-O 3.46Å; V119-T136 PolarHBondContact N-O 2.76Å; V119-T136 VanDerWaalsContact N-O 3.07Å; V119-T136 PolarHBondContact O-N 3.02Å; V119-T136 PolarHBondContact O-OG1 3.02Å; Y134-T136 WeakPolarHBondContact O-CG2 3.48Å; Y134-T136 PolarHBondContact O-N 3.44Å
137C87.5Confident69.4Low51 Ų5176.2 Ų76.235%0.34541%0.41SS..EExtended strand (participates in β ladder)trans-77148.8172.566.80000111.6I115 S116I115-C137 CarbonylContact O-C 3.58Å; I115-C137 WeakPolarHBondContact O-CA 3.4Å; I115-C137 WeakPolarHBondContact O-CB 3.3Å; S116-C137 VanDerWaalsContact O-CB 3.32Å; S116-C137 WeakPolarHBondContact O-CB 3.26Å
138L91.1Very high68.7Low0 Ų079.8 Ų79.80%042%0.424CS..EExtended strand (participates in β ladder)trans-119.5136.2168.6175.7149.6000108.4F113 Q114 I115 V119 I140 I196 V198 L236 F250F113-L138 HydrophobicContact CD1-CD2 4.16Å; F113-L138 HydrophobicContact CE1-CD2 4.27Å; Q114-L138 CarbonylContact C-O 3.23Å; Q114-L138 VanDerWaalsContact CA-O 3.25Å; Q114-L138 WeakPolarHBondContact CA-O 3.5Å; I115-L138 HydrophobicContact CB-CB 4.36Å; I115-L138 PolarHBondContact N-O 3.3Å; I115-L138 PolarHBondContact O-N 2.78Å; V119-L138 HydrophobicContact CB-CB 4.17Å; V119-L138 HydrophobicContact CG1-CB 4.26Å; V119-L138 HydrophobicContact CG1-CD1 4.06Å; V119-L138 HydrophobicContact CG2-CB 3.62Å; V119-L138 HydrophobicContact CG2-CD1 4.41Å; L138-I140 HydrophobicContact CD2-CD1 4.25Å; L138-I140 HydrophobicContact CD2-CG1 3.8Å; L138-I196 HydrophobicContact CD1-CG2 4.14Å; L138-I196 HydrophobicContact CG-CG2 4.16Å; L138-V198 HydrophobicContact CB-CG2 4.05Å; L138-V198 HydrophobicContact CD1-CG2 3.73Å; L138-V198 HydrophobicContact CG-CG2 3.85Å; L138-L236 HydrophobicContact CD1-CD1 3.78Å; L138-F250 HydrophobicContact CD1-CD2 4.36Å; L138-F250 HydrophobicContact CD1-CE2 3.66Å; L138-F250 HydrophobicContact CD1-CZ 4.19Å; L138-F250 HydrophobicContact CD2-CD2 3.96Å; L138-F250 HydrophobicContact CD2-CE2 3.87Å; L138-F250 HydrophobicContact CG-CE2 4.44Å
139Q90.2Very high68.1Low41 Ų4177.1 Ų77.119%0.19242%0.416CS..EExtended strand (participates in β ladder)trans-130.4137.4177.3-66.7180-48.500109.2L111 F113 Q114 F141 K197L111-Q139 HydrophobicContact CD1-CB 3.73Å; L111-Q139 HydrophobicContact CD1-CG 4.03Å; F113-Q139 CarbonylContact O-C 3.46Å; F113-Q139 WeakPolarHBondContact O-CA 3.21Å; Q114-Q139 HydrophobicContact CB-CG 4.42Å; Q114-Q139 HydrophobicContact CG-CG 4.02Å; Q139-F141 HydrophobicContact CB-CD2 4.29Å; Q139-F141 HydrophobicContact CB-CE2 3.49Å; Q139-F141 VanDerWaalsContact CB-CE2 3.49Å; Q139-F141 HydrophobicContact CB-CZ 3.98Å; Q139-K197 HydrophobicContact CB-CB 4.49Å; Q139-K197 PolarHBondContact N-O 3.32Å; Q139-K197 PolarHBondContact O-N 2.89Å
140I90.2Very high66.6Low0 Ų079.4 Ų79.40%043%0.425CS..EExtended strand (participates in β ladder)trans-117.2130.2172.1-50.6-178.5000108I112 F113 L138 I196 L205 F250 I253I112-I140 HydrophobicContact CD1-CB 4.34Å; I112-I140 HydrophobicContact CD1-CG2 3.75Å; I112-I140 HydrophobicContact CG1-CB 4.01Å; I112-I140 HydrophobicContact CG1-CG2 3.9Å; I112-I140 WeakPolarHBondContact CG1-O 3.37Å; I112-I140 PolarHBondContact N-O 3.29Å; F113-I140 HydrophobicContact CB-CB 4.26Å; F113-I140 HydrophobicContact CB-CD1 4.41Å; F113-I140 HydrophobicContact CB-CG1 4.43Å; F113-I140 HydrophobicContact CD1-CD1 3.9Å; F113-I140 HydrophobicContact CD1-CG1 4.21Å; F113-I140 PolarHBondContact N-O 3.23Å; F113-I140 PolarHBondContact O-N 3.07Å; L138-I140 HydrophobicContact CD2-CD1 4.25Å; L138-I140 HydrophobicContact CD2-CG1 3.8Å; I140-I196 HydrophobicContact CG1-CG1 4.32Å; I140-L205 HydrophobicContact CG2-CD1 3.78Å; I140-F250 HydrophobicContact CD1-CD2 3.78Å; I140-F250 HydrophobicContact CD1-CE2 3.9Å; I140-I253 HydrophobicContact CD1-CB 4.34Å; I140-I253 HydrophobicContact CD1-CD1 4.42Å; I140-I253 HydrophobicContact CD1-CG2 3.79Å; I140-I253 HydrophobicContact CG2-CG2 4.08Å
141F85.6Confident65.1Low33 Ų3379.7 Ų79.715%0.14542%0.423CS..EExtended strand (participates in β ladder)trans-115.5145.2179-61.1-96.1000110.2A109 E110 L111 Q139 G194 F195 K197A109-F141 HydrophobicContact CB-CB 3.91Å; A109-F141 HydrophobicContact CB-CD1 4.46Å; E110-F141 CarbonylContact O-C 3.58Å; E110-F141 WeakPolarHBondContact O-CA 3.26Å; L111-F141 HydrophobicContact CB-CD1 4.06Å; L111-F141 HydrophobicContact CB-CE1 3.89Å; L111-F141 HydrophobicContact CD1-CD1 4.22Å; L111-F141 HydrophobicContact CD1-CE1 3.82Å; L111-F141 HydrophobicContact CD1-CE2 4.2Å; L111-F141 HydrophobicContact CD1-CZ 3.81Å; L111-F141 HydrophobicContact CG-CE1 4.44Å; Q139-F141 HydrophobicContact CB-CD2 4.29Å; Q139-F141 HydrophobicContact CB-CE2 3.49Å; Q139-F141 VanDerWaalsContact CB-CE2 3.49Å; Q139-F141 HydrophobicContact CB-CZ 3.98Å; F141-G194 CarbonylContact O-C 3.59Å; F141-G194 WeakPolarHBondContact O-CA 3.27Å; F141-F195 HydrophobicContact CB-CD1 4.16Å; F141-F195 HydrophobicContact CB-CD2 4.31Å; F141-F195 HydrophobicContact CB-CE1 3.7Å; F141-F195 HydrophobicContact CB-CE2 3.87Å; F141-F195 HydrophobicContact CB-CG 4.45Å; F141-F195 HydrophobicContact CB-CZ 3.54Å; F141-F195 HydrophobicContact CD1-CZ 4.38Å; F141-F195 AromaticContact CD2-CD2 3.92Å; F141-F195 HydrophobicContact CD2-CD2 3.92Å; F141-F195 AromaticContact CD2-CE2 3.25Å; F141-F195 HydrophobicContact CD2-CE2 3.25Å; F141-F195 AromaticContact CD2-CZ 3.66Å; F141-F195 HydrophobicContact CD2-CZ 3.66Å; F141-F195 AromaticContact CE2-CE2 3.95Å; F141-F195 HydrophobicContact CE2-CE2 3.95Å; F141-F195 HydrophobicContact CE2-CZ 4.45Å; F141-F195 HydrophobicContact CG-CD2 4.48Å; F141-F195 HydrophobicContact CG-CE1 4.29Å; F141-F195 AromaticContact CG-CE2 3.73Å; F141-F195 HydrophobicContact CG-CE2 3.73Å; F141-F195 AromaticContact CG-CZ 3.61Å; F141-F195 HydrophobicContact CG-CZ 3.61Å; F141-F195 PolarHBondContact N-O 3.16Å; F141-F195 PolarHBondContact O-N 3.42Å; F141-K197 HydrophobicContact CD2-CB 4.48Å; F141-K197 HydrophobicContact CE2-CB 4.09Å; F141-K197 HydrophobicContact CE2-CD 4.18Å
142K83.4Confident63.2Low87 Ų8780.7 Ų80.738%0.37843%0.43SS..EExtended strand (participates in β ladder)trans-117.7135.8174.2-176.1176-179.2171.30109.2A109 E110 I112 V193 M257A109-K142 CarbonylContact C-O 3.58Å; A109-K142 VanDerWaalsContact CA-O 3.3Å; A109-K142 WeakPolarHBondContact CA-O 3.43Å; E110-K142 PolarHBondContact N-O 2.88Å; E110-K142 PolarHBondContact O-N 3.19Å; I112-K142 HydrophobicContact CD1-CB 4.2Å; I112-K142 HydrophobicContact CG1-CB 4.4Å; I112-K142 HydrophobicContact CG2-CB 3.53Å; I112-K142 HydrophobicContact CG2-CD 4.33Å; K142-V193 WeakPolarHBondContact CA-O 3.27Å; K142-V193 HydrophobicContact CG-CG1 4.33Å; K142-V193 WeakPolarHBondContact CG-O 3.35Å; K142-M257 HydrophobicContact CB-CE 4.4Å; K142-M257 HydrophobicContact CG-CE 4.36Å
143W74.2Confident61.1Low58 Ų5882.5 Ų82.522%0.2243%0.431CS..EExtended strand (participates in β ladder)trans-71.9130.7176.4-64.3103.7000110.4D108 A109 G145 F153 V193 F195D108-W143 HydrophobicContact CB-CE3 3.87Å; D108-W143 HydrophobicContact CB-CZ3 3.84Å; D108-W143 WeakPolarHBondContact O-CA 3.36Å; A109-W143 HydrophobicContact CB-CD2 4.18Å; A109-W143 HydrophobicContact CB-CE3 3.9Å; A109-W143 HydrophobicContact CB-CH2 4.49Å; A109-W143 HydrophobicContact CB-CZ3 4.08Å; W143-G145 PolarHBondContact O-N 2.88Å; W143-F153 HydrophobicContact CH2-CD1 4.11Å; W143-F153 AromaticContact CH2-CD2 3.86Å; W143-F153 HydrophobicContact CH2-CD2 3.86Å; W143-F153 AromaticContact CH2-CE1 3.84Å; W143-F153 HydrophobicContact CH2-CE1 3.84Å; W143-F153 AromaticContact CH2-CE2 3.56Å; W143-F153 HydrophobicContact CH2-CE2 3.56Å; W143-F153 HydrophobicContact CH2-CG 4.13Å; W143-F153 AromaticContact CH2-CZ 3.56Å; W143-F153 HydrophobicContact CH2-CZ 3.56Å; W143-F153 HydrophobicContact CZ2-CD1 4.34Å; W143-F153 HydrophobicContact CZ2-CD2 4.18Å; W143-F153 HydrophobicContact CZ2-CE1 4.49Å; W143-F153 HydrophobicContact CZ2-CE2 4.33Å; W143-F153 HydrophobicContact CZ2-CG 4.18Å; W143-F153 HydrophobicContact CZ2-CZ 4.49Å; W143-F153 HydrophobicContact CZ3-CD2 4.28Å; W143-F153 AromaticContact CZ3-CE2 3.75Å; W143-F153 HydrophobicContact CZ3-CE2 3.75Å; W143-F153 AromaticContact CZ3-CZ 3.98Å; W143-F153 HydrophobicContact CZ3-CZ 3.98Å; W143-V193 PolarHBondContact N-O 2.81Å; W143-F195 HydrophobicContact CH2-CE1 4.26Å; W143-F195 AromaticContact CZ2-CD1 3.89Å; W143-F195 HydrophobicContact CZ2-CD1 3.89Å; W143-F195 AromaticContact CZ2-CE1 3.74Å; W143-F195 HydrophobicContact CZ2-CE1 3.74Å; W143-F195 AromaticContact NE1-CD1 3.95Å
144A59.7Low59.2Low64 Ų6489.2 Ų89.253%0.52945%0.452SS..  trans-73.8109.4174.100000108.8D108 N146D108-A144 PolarHBondContact O-N 3.24Å; A144-N146 VanDerWaalsContact C-N 3.31Å; A144-N146 PolarHBondContact O-N 3Å
145G49.1Very low57.2Low74 Ų7485 Ų8576%0.76344%0.441SS*.  trans-68.974.3-171.800000114.9W143 R147W143-G145 PolarHBondContact O-N 2.88Å; G145-R147 PolarHBondContact O-N 3.42Å
146N40.7Very low54.8Low136 Ų13686.8 Ų86.873%0.72745%0.451SS*.  trans-88.2100.3159.7-120.20.4000108.5A144 E148A144-N146 VanDerWaalsContact C-N 3.31Å; A144-N146 PolarHBondContact O-N 3Å; N146-E148 PolarHBondContact O-N 3.22Å
147R38Very low52.4Low250 Ų25088.7 Ų88.794%0.94347%0.465SS*.THydrogen-bonded Turntrans-56.65.5-173.2-72179.7171.4176-2.9116.5G145G145-R147 PolarHBondContact O-N 3.42Å
148E34.3Very low49.6Very low167 Ų16791.8 Ų91.878%0.7847%0.471SS*.THydrogen-bonded Turntrans-109.4-7.9-171.5-70.6-171.1160.500115N146N146-E148 PolarHBondContact O-N 3.22Å
149T33.5Very low46.6Very low71 Ų7194.4 Ų94.444%0.43650%0.497SS..  trans-102.395.5176.152.80000111H151T149-H151 VanDerWaalsContact CB-CD2 3.42Å; T149-H151 WeakPolarHBondContact CB-CD2 3.34Å; T149-H151 PolarHBondContact O-N 3.48Å
150N28Very low43.7Very low143 Ų143101 Ų10177%0.76553%0.528SS*.  trans-60.953165.1-80.6-38.4000111.9T152N150-T152 PolarHBondContact O-N 3.29Å
151H34.9Very low40.6Very low35 Ų35108.3 Ų108.316%0.16256%0.562CS.*  trans-89.590.6177.9-71.1-28.4000108.4S12 S15 T149 F153S12-H151 PolarHBondContact O-CE1 3.45Å; S15-H151 WeakPolarHBondContact CB-NE2 3.33Å; S15-H151 PolarHBondContact OG-CE1 2.77Å; S15-H151 PolarHBondContact OG-NE2 3.19Å; T149-H151 VanDerWaalsContact CB-CD2 3.42Å; T149-H151 WeakPolarHBondContact CB-CD2 3.34Å; T149-H151 PolarHBondContact O-N 3.48Å; H151-F153 HydrophobicContact CB-CD2 4.29Å; H151-F153 HydrophobicContact CB-CE2 4.38Å; H151-F153 PolarHBondContact O-N 2.91Å
152T28.4Very low37.9Very low133 Ų133112.8 Ų112.882%0.81659%0.587SS**  trans-5888.7161.60.80000107.8N150 R154N150-T152 PolarHBondContact O-N 3.29Å; T152-R154 PolarHBondContact O-N 3.49Å
153F31.8Very low35.1Very low101 Ų101119.7 Ų119.744%0.44361%0.611SS.*  trans-6878.1162.3-93.4-86.1000107.1W143 H151 L155W143-F153 HydrophobicContact CH2-CD1 4.11Å; W143-F153 AromaticContact CH2-CD2 3.86Å; W143-F153 HydrophobicContact CH2-CD2 3.86Å; W143-F153 AromaticContact CH2-CE1 3.84Å; W143-F153 HydrophobicContact CH2-CE1 3.84Å; W143-F153 AromaticContact CH2-CE2 3.56Å; W143-F153 HydrophobicContact CH2-CE2 3.56Å; W143-F153 HydrophobicContact CH2-CG 4.13Å; W143-F153 AromaticContact CH2-CZ 3.56Å; W143-F153 HydrophobicContact CH2-CZ 3.56Å; W143-F153 HydrophobicContact CZ2-CD1 4.34Å; W143-F153 HydrophobicContact CZ2-CD2 4.18Å; W143-F153 HydrophobicContact CZ2-CE1 4.49Å; W143-F153 HydrophobicContact CZ2-CE2 4.33Å; W143-F153 HydrophobicContact CZ2-CG 4.18Å; W143-F153 HydrophobicContact CZ2-CZ 4.49Å; W143-F153 HydrophobicContact CZ3-CD2 4.28Å; W143-F153 AromaticContact CZ3-CE2 3.75Å; W143-F153 HydrophobicContact CZ3-CE2 3.75Å; W143-F153 AromaticContact CZ3-CZ 3.98Å; W143-F153 HydrophobicContact CZ3-CZ 3.98Å; H151-F153 HydrophobicContact CB-CD2 4.29Å; H151-F153 HydrophobicContact CB-CE2 4.38Å; H151-F153 PolarHBondContact O-N 2.91Å; F153-L155 VanDerWaalsContact C-N 3.32Å; F153-L155 PolarHBondContact O-N 3.35Å
154R29.2Very low32.7Very low173 Ų173124.4 Ų124.465%0.65364%0.64SS**  trans-60.7104.6154.1-95.1179.4170.2161.4-5105T152 V156T152-R154 PolarHBondContact O-N 3.49Å; R154-V156 PolarHBondContact O-N 3.12Å
155L32.8Very low31.2Very low94 Ų94130.1 Ų130.149%0.49266%0.656SS.*  trans-52.896.4157.7-88.4157.1000106.8F153 S157 I202 P204F153-L155 VanDerWaalsContact C-N 3.32Å; F153-L155 PolarHBondContact O-N 3.35Å; L155-S157 PolarHBondContact O-N 3.05Å; L155-I202 HydrophobicContact CD2-CG2 4.11Å; L155-P204 HydrophobicContact CD1-CB 3.52Å; L155-P204 HydrophobicContact CD1-CG 3.42Å; L155-P204 VanDerWaalsContact CD1-CG 3.42Å
156V28.5Very low30.1Very low81 Ų81137.3 Ų137.349%0.49166%0.66SS.*  trans-71.291.2168.7-179.70000104.1R154 Y158R154-V156 PolarHBondContact O-N 3.12Å; V156-Y158 PolarHBondContact O-N 3.41Å
157S28.8Very low29.3Very low71 Ų71134.6 Ų134.650%0.49766%0.664SS.*  trans-58.7123.3169.264.70000107.6L155 G159L155-S157 PolarHBondContact O-N 3.05Å; S157-G159 PolarHBondContact O-N 3.4Å
158Y29.2Very low28.9Very low116 Ų116126.8 Ų126.846%0.45565%0.653SS.*SBendtrans-66.197.5169.6-79.1-88000108.4D26 Q27 V156D26-Y158 PolarHBondContact OD2-OH 3.29Å; Q27-Y158 HydrophobicContact CB-CE1 4.41Å; Q27-Y158 HydrophobicContact CG-CD1 4.29Å; Q27-Y158 HydrophobicContact CG-CE1 3.45Å; Q27-Y158 VanDerWaalsContact CG-CE1 3.45Å; V156-Y158 PolarHBondContact O-N 3.41Å
159G28.7Very low28.7Very low54 Ų54126.1 Ų126.156%0.55765%0.648SS**SBendtrans165.381173.900000117.7S157S157-G159 PolarHBondContact O-N 3.4Å
160Q27.7Very low28.4Very low181 Ų181130.6 Ų130.685%0.84667%0.668SS**  trans57.2107.7153.4-64.4-166.8-24.800121.1
161H26.5Very low28.6Very low153 Ų153132.1 Ų132.171%0.70867%0.671SS**  trans65.8123.4143.7-91.5-84.1000121.1
162D27.6Very low28.3Very low126 Ų126140.4 Ų140.467%0.67470%0.7SS**  trans90.6108.8148.9-66.8-6.9000120.3
163R24.8Very low28.3Very low232 Ų232144.8 Ų144.888%0.87570%0.704SS**  trans-1.2135.4136.5-95174.7166.7165.5-3.9116.3
164L25.3Very low28.1Very low158 Ų158144.1 Ų144.183%0.82772%0.717SS**  trans73.8114.6169.6-52.3139.1000110.2
165E27.9Very low27.9Very low184 Ų184145.8 Ų145.886%0.8673%0.729SS**  -162.3134.857.5-71.8179.9156.600109.8
166R24.9Very low27.6Very low225 Ų225145.9 Ų145.985%0.84974%0.743SS**  trans-81.8124.2162.3-70.2172.4172.8163.1-3.8106.5
167G25.1Very low27.5Very low79 Ų79149.7 Ų149.781%0.81476%0.76SS**  trans136.218.2160.600000121
168A28.6Very low27.5Very low86 Ų86155.6 Ų155.671%0.71178%0.78SS**  trans-118.6-1-173.100000117.5
169F29.5Very low27.4Very low153 Ų153156.6 Ų156.667%0.67180%0.798SS**SBendtrans-89.3-18.7-163.8-167.2-108.9000116.1
170L29.2Very low27.7Very low164 Ų164159.1 Ų159.186%0.85981%0.805SS**SBendtrans-102.63.4-171.9-71.4170.3000115.7
171Q30.4Very low27.6Very low176 Ų176160.8 Ų160.882%0.82281%0.809SS**SBendtrans-102.9-3-169-132167.11900115.8
172R29.1Very low27.6Very low209 Ų209157.1 Ų157.179%0.78981%0.813SS**SBendtrans-112.6-9.3-172.2-79.4-175.3-176.3169.43.2116.6
173Y29.8Very low27.4Very low225 Ų225160.8 Ų160.888%0.88282%0.823SS**SBendtrans-102.115.1179.5-76.8-80.6000114.7
174A27Very low27.3Very low87 Ų87155.7 Ų155.772%0.71982%0.818SS**  trans-119.241.1-176.600000114.1
175K24.5Very low27.3Very low208 Ų208154.1 Ų154.190%0.90482%0.815SS**  trans-138.189.5170.9-78.4-169.2177.2-178.70112.1
176A27Very low27.2Very low95 Ų95153.3 Ų153.379%0.78581%0.813SS**SBendtrans-172110.3138.800000107.9
177D25.8Very low27.2Very low161 Ų161146.4 Ų146.486%0.86180%0.799SS**SBendtrans73.2131.7170.1-65.7-24000120.7
178E29Very low27.2Very low196 Ų196148.9 Ų148.992%0.91680%0.799SS**  trans92.6104.9170.1-53.1-168.2174.900119
179T26.6Very low27.5Very low136 Ų136152.1 Ų152.183%0.83480%0.804SS**  trans-124.3163.1158.751.60000108.1
180P35.3Very low28Very low108 Ų108146.8 Ų146.870%0.70179%0.792SS**  cis-138.5161.2-32.734.5-17.3000112.5
181K25.1Very low29.1Very low215 Ų215146.1 Ų146.194%0.93578%0.784SS**  trans163.1105.6141-91.1161.7-173.6-177.30110.2
182G26.4Very low30.4Very low76 Ų76139.6 Ų139.678%0.78476%0.761SS**  trans171.1105170.900000110.5
183K23.9Very low32.5Very low204 Ų204132 Ų13289%0.88774%0.738SS**  trans-57.9154.1168.9-69.1171.7174.4175.80109.9
184T23.8Very low34.9Very low125 Ų125121.3 Ų121.377%0.76770%0.696SS**  trans142.393.2149.9-540000108.5
185V25.6Very low37.7Very low125 Ų125118.8 Ų118.876%0.75867%0.668SS**  54107.793.3-176.80000112.8
186M24.6Very low40.6Very low166 Ų166108.9 Ų108.982%0.81863%0.625SS**  trans-161.999.2155.7-71-53.6-82.200107.8
187S25.2Very low43.4Very low80 Ų80108.2 Ų108.256%0.55961%0.605SS**  58.999.584.676.10000114.1D189S187-D189 PolarHBondContact O-N 3.09Å
188T26Very low46Very low132 Ų132100.6 Ų100.681%0.8156%0.564SS**SBendtrans-84.173176.347.50000111.2
189D33.9Very low47.9Very low154 Ų15496.1 Ų96.182%0.82455%0.546SS*.  trans-16242.5179.9-79.9-44.1000113.9S187 E191S187-D189 PolarHBondContact O-N 3.09Å; D189-E191 PolarHBondContact O-N 3.11Å
190G39.6Very low49.7Very low41 Ų4195.7 Ų95.742%0.42354%0.544SS..  trans-75103.8177.800000113.7
191E52.1Low51.7Low149 Ų14992.2 Ų92.270%0.69652%0.517SS*.  trans-68.8132169.6-103.3-178.7159.700110.9D189 V193D189-E191 PolarHBondContact O-N 3.11Å; E191-V193 PolarHBondContact O-N 3.4Å
192A57.7Low54.3Low40 Ų4085.6 Ų85.633%0.33149%0.491SS..  trans-66.2122.6173.300000110.2I206A192-I206 HydrophobicContact CB-CG1 4Å
193V73.5Confident56.8Low49 Ų4982.2 Ų82.230%0.29746%0.455SS..  trans-83.8-20.5-178.5-176.40000111.1K142 W143 E191 L205 P207 M257K142-V193 WeakPolarHBondContact CA-O 3.27Å; K142-V193 HydrophobicContact CG-CG1 4.33Å; K142-V193 WeakPolarHBondContact CG-O 3.35Å; W143-V193 PolarHBondContact N-O 2.81Å; E191-V193 PolarHBondContact O-N 3.4Å; V193-L205 PolarHBondContact N-O 3.37Å; V193-P207 HydrophobicContact CB-CG 4.2Å; V193-P207 VanDerWaalsContact CG2-CD 3.41Å; V193-P207 HydrophobicContact CG2-CG 3.53Å; V193-M257 HydrophobicContact CB-CE 4.22Å; V193-M257 HydrophobicContact CG1-CE 4.05Å
194G81.3Confident59.4Low0 Ų073.4 Ų73.40%042%0.418CS..EExtended strand (participates in β ladder)trans-171.8-164.7175.200000113.9F141 L205F141-G194 CarbonylContact O-C 3.59Å; F141-G194 WeakPolarHBondContact O-CA 3.27Å; G194-L205 PolarHBondContact N-O 2.95Å; G194-L205 PolarHBondContact O-N 3.48Å
195F84.2Confident62.1Low34 Ų3467.4 Ų67.415%0.14938%0.381CS..EExtended strand (participates in β ladder)trans-153.7151.217460.4-90.1000112.3A109 F141 W143 K197 I202 Y203A109-F195 HydrophobicContact CB-CE1 3.67Å; A109-F195 HydrophobicContact CB-CZ 4.1Å; F141-F195 HydrophobicContact CB-CD1 4.16Å; F141-F195 HydrophobicContact CB-CD2 4.31Å; F141-F195 HydrophobicContact CB-CE1 3.7Å; F141-F195 HydrophobicContact CB-CE2 3.87Å; F141-F195 HydrophobicContact CB-CG 4.45Å; F141-F195 HydrophobicContact CB-CZ 3.54Å; F141-F195 HydrophobicContact CD1-CZ 4.38Å; F141-F195 AromaticContact CD2-CD2 3.92Å; F141-F195 HydrophobicContact CD2-CD2 3.92Å; F141-F195 AromaticContact CD2-CE2 3.25Å; F141-F195 HydrophobicContact CD2-CE2 3.25Å; F141-F195 AromaticContact CD2-CZ 3.66Å; F141-F195 HydrophobicContact CD2-CZ 3.66Å; F141-F195 AromaticContact CE2-CE2 3.95Å; F141-F195 HydrophobicContact CE2-CE2 3.95Å; F141-F195 HydrophobicContact CE2-CZ 4.45Å; F141-F195 HydrophobicContact CG-CD2 4.48Å; F141-F195 HydrophobicContact CG-CE1 4.29Å; F141-F195 AromaticContact CG-CE2 3.73Å; F141-F195 HydrophobicContact CG-CE2 3.73Å; F141-F195 AromaticContact CG-CZ 3.61Å; F141-F195 HydrophobicContact CG-CZ 3.61Å; F141-F195 PolarHBondContact N-O 3.16Å; F141-F195 PolarHBondContact O-N 3.42Å; W143-F195 HydrophobicContact CH2-CE1 4.26Å; W143-F195 AromaticContact CZ2-CD1 3.89Å; W143-F195 HydrophobicContact CZ2-CD1 3.89Å; W143-F195 AromaticContact CZ2-CE1 3.74Å; W143-F195 HydrophobicContact CZ2-CE1 3.74Å; W143-F195 AromaticContact NE1-CD1 3.95Å; F195-K197 HydrophobicContact CD2-CB 4.49Å; F195-K197 HydrophobicContact CE2-CB 4.46Å; F195-I202 HydrophobicContact CB-CG2 4Å; F195-I202 HydrophobicContact CD2-CG2 3.85Å; F195-I202 HydrophobicContact CG-CG2 4.16Å; F195-Y203 CarbonylContact C-O 3.45Å; F195-Y203 WeakPolarHBondContact CA-O 3.42Å; F195-Y203 WeakPolarHBondContact CB-O 3.03Å
196I87.2Confident64.6Low0 Ų063.1 Ų63.10%035%0.354CS..EExtended strand (participates in β ladder)trans-92.5138.7168.7-52.4177.8000108.3L138 I140 V198 W201 I202 Y203 L205 F222 L254L138-I196 HydrophobicContact CD1-CG2 4.14Å; L138-I196 HydrophobicContact CG-CG2 4.16Å; I140-I196 HydrophobicContact CG1-CG1 4.32Å; I196-V198 HydrophobicContact CG2-CG2 4.09Å; I196-W201 HydrophobicContact CG2-CZ3 4.22Å; I196-I202 CarbonylContact O-C 3.55Å; I196-I202 VanDerWaalsContact O-CA 3.23Å; I196-I202 WeakPolarHBondContact O-CA 3.47Å; I196-Y203 PolarHBondContact N-O 3.08Å; I196-Y203 PolarHBondContact O-N 3Å; I196-L205 HydrophobicContact CD1-CD1 4.42Å; I196-L205 HydrophobicContact CD1-CD2 3.98Å; I196-L205 HydrophobicContact CG1-CD1 3.71Å; I196-L205 HydrophobicContact CG1-CD2 3.98Å; I196-L205 HydrophobicContact CG1-CG 3.97Å; I196-F222 HydrophobicContact CD1-CE1 3.58Å; I196-F222 HydrophobicContact CD1-CZ 3.91Å; I196-L254 HydrophobicContact CD1-CD2 3.63Å
197K84.5Confident67.2Low81 Ų8157.3 Ų57.335%0.35233%0.329SS..EExtended strand (participates in β ladder)trans-124.2122.7171.7-176.1-176.9178.9-174.30109.9Q139 F141 F195 N199 W201 I202Q139-K197 HydrophobicContact CB-CB 4.49Å; Q139-K197 PolarHBondContact N-O 3.32Å; Q139-K197 PolarHBondContact O-N 2.89Å; F141-K197 HydrophobicContact CD2-CB 4.48Å; F141-K197 HydrophobicContact CE2-CB 4.09Å; F141-K197 HydrophobicContact CE2-CD 4.18Å; F195-K197 HydrophobicContact CD2-CB 4.49Å; F195-K197 HydrophobicContact CE2-CB 4.46Å; K197-N199 WeakPolarHBondContact CE-O 3.3Å; K197-W201 WeakPolarHBondContact CA-O 3.21Å; K197-I202 HydrophobicContact CG-CG1 4.33Å
198V80Confident69.4Low1 Ų159.7 Ų59.71%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-128.6108.2170.8-176.10000107.6V119 I121 L138 I196 T200 W201 L236V119-V198 HydrophobicContact CG1-CG1 4.45Å; I121-V198 HydrophobicContact CB-CG1 4.27Å; I121-V198 HydrophobicContact CD1-CB 4.44Å; I121-V198 HydrophobicContact CD1-CG1 4.48Å; I121-V198 HydrophobicContact CG2-CG1 4.42Å; L138-V198 HydrophobicContact CB-CG2 4.05Å; L138-V198 HydrophobicContact CD1-CG2 3.73Å; L138-V198 HydrophobicContact CG-CG2 3.85Å; I196-V198 HydrophobicContact CG2-CG2 4.09Å; V198-T200 PolarHBondContact O-N 3.22Å; V198-T200 VanDerWaalsContact O-N 3.15Å; V198-W201 HydrophobicContact CB-CE3 4.08Å; V198-W201 HydrophobicContact CG2-CE3 4.12Å; V198-W201 HydrophobicContact CG2-CZ3 4.27Å; V198-W201 PolarHBondContact N-O 3.48Å; V198-W201 WeakPolarHBondContact O-CB 3.44Å; V198-W201 PolarHBondContact O-N 3.04Å; V198-L236 HydrophobicContact CB-CD2 4.38Å; V198-L236 HydrophobicContact CG1-CD2 4.29Å; V198-L236 HydrophobicContact CG2-CD1 4.13Å; V198-L236 HydrophobicContact CG2-CD2 3.93Å
199N69.6Low71.4Confident102 Ų10258.6 Ų58.655%0.54532%0.321SS..THydrogen-bonded Turntrans54-115.7-171.2-167.88.6000111.5K197K197-N199 WeakPolarHBondContact CE-O 3.3Å
200T65.1Low73.3Confident128 Ų12851.4 Ų51.479%0.78528%0.283SS*.THydrogen-bonded Turntrans-93.5-4.1176.761.60000113.6V198V198-T200 PolarHBondContact O-N 3.22Å; V198-T200 VanDerWaalsContact O-N 3.15Å
201W76.6Confident75Confident35 Ų3551.7 Ų51.713%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-88.7132.7179.7177.873.6000110.3I121 I196 K197 V198 Y203 F222 V234 L236I121-W201 HydrophobicContact CD1-CB 3.65Å; I121-W201 HydrophobicContact CD1-CD2 3.8Å; I121-W201 HydrophobicContact CD1-CE3 3.89Å; I121-W201 HydrophobicContact CD1-CG 3.73Å; I196-W201 HydrophobicContact CG2-CZ3 4.22Å; K197-W201 WeakPolarHBondContact CA-O 3.21Å; V198-W201 HydrophobicContact CB-CE3 4.08Å; V198-W201 HydrophobicContact CG2-CE3 4.12Å; V198-W201 HydrophobicContact CG2-CZ3 4.27Å; V198-W201 PolarHBondContact N-O 3.48Å; V198-W201 WeakPolarHBondContact O-CB 3.44Å; V198-W201 PolarHBondContact O-N 3.04Å; W201-Y203 VanDerWaalsContact CH2-CB 3.47Å; W201-Y203 HydrophobicContact CH2-CD2 4.44Å; W201-Y203 HydrophobicContact CH2-CG 4.02Å; W201-Y203 AromaticContact CZ2-CD2 3.95Å; W201-Y203 HydrophobicContact CZ2-CD2 3.95Å; W201-Y203 AromaticContact CZ2-CG 3.96Å; W201-Y203 HydrophobicContact CZ2-CG 3.96Å; W201-F222 HydrophobicContact CH2-CB 3.8Å; W201-F222 AromaticContact CH2-CD1 3.94Å; W201-F222 HydrophobicContact CH2-CD1 3.94Å; W201-F222 AromaticContact CH2-CD2 3.66Å; W201-F222 HydrophobicContact CH2-CD2 3.66Å; W201-F222 HydrophobicContact CH2-CE1 4.43Å; W201-F222 HydrophobicContact CH2-CE2 4.21Å; W201-F222 AromaticContact CH2-CG 3.52Å; W201-F222 HydrophobicContact CH2-CG 3.52Å; W201-F222 HydrophobicContact CZ2-CB 3.66Å; W201-F222 HydrophobicContact CZ2-CD2 4.3Å; W201-F222 AromaticContact CZ2-CG 3.94Å; W201-F222 HydrophobicContact CZ2-CG 3.94Å; W201-V234 HydrophobicContact CD2-CG1 3.94Å; W201-V234 HydrophobicContact CE3-CG1 4.42Å; W201-V234 HydrophobicContact CG-CG1 4.4Å; W201-V234 HydrophobicContact CH2-CG1 4.23Å; W201-V234 HydrophobicContact CZ2-CB 3.76Å; W201-V234 HydrophobicContact CZ2-CG1 3.75Å; W201-V234 HydrophobicContact CZ2-CG2 4.32Å; W201-L236 HydrophobicContact CZ3-CD1 4.07Å; W201-L236 HydrophobicContact CZ3-CD2 4.32Å; W201-L236 HydrophobicContact CZ3-CG 4.42Å
202I78.5Confident76.3Confident76 Ų7644.8 Ų44.839%0.3925%0.245SC..EExtended strand (participates in β ladder)trans-127.1134.9179-60174.8000108.6L155 F195 I196 K197L155-I202 HydrophobicContact CD2-CG2 4.11Å; F195-I202 HydrophobicContact CB-CG2 4Å; F195-I202 HydrophobicContact CD2-CG2 3.85Å; F195-I202 HydrophobicContact CG-CG2 4.16Å; I196-I202 CarbonylContact O-C 3.55Å; I196-I202 VanDerWaalsContact O-CA 3.23Å; I196-I202 WeakPolarHBondContact O-CA 3.47Å; K197-I202 HydrophobicContact CG-CG1 4.33Å
203Y79.5Confident77Confident5 Ų547.5 Ų47.52%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-126.7123.3175.8-171.8-104.7000110.6F195 I196 W201 L205 P211 V212 F222 P223F195-Y203 CarbonylContact C-O 3.45Å; F195-Y203 WeakPolarHBondContact CA-O 3.42Å; F195-Y203 WeakPolarHBondContact CB-O 3.03Å; I196-Y203 PolarHBondContact N-O 3.08Å; I196-Y203 PolarHBondContact O-N 3Å; W201-Y203 VanDerWaalsContact CH2-CB 3.47Å; W201-Y203 HydrophobicContact CH2-CD2 4.44Å; W201-Y203 HydrophobicContact CH2-CG 4.02Å; W201-Y203 AromaticContact CZ2-CD2 3.95Å; W201-Y203 HydrophobicContact CZ2-CD2 3.95Å; W201-Y203 AromaticContact CZ2-CG 3.96Å; W201-Y203 HydrophobicContact CZ2-CG 3.96Å; Y203-L205 HydrophobicContact CD1-CD2 4.13Å; Y203-L205 HydrophobicContact CE1-CD2 4.4Å; Y203-P211 WeakPolarHBondContact OH-CD 3.46Å; Y203-P211 PolarHBondContact OH-O 3.36Å; Y203-V212 HydrophobicContact CE1-CG2 4.2Å; Y203-F222 AromaticContact CD1-CD1 3.54Å; Y203-F222 HydrophobicContact CD1-CD1 3.54Å; Y203-F222 HydrophobicContact CD1-CE1 4.12Å; Y203-F222 HydrophobicContact CD1-CG 4.49Å; Y203-F222 HydrophobicContact CD2-CB 4.07Å; Y203-F222 HydrophobicContact CD2-CD1 4.39Å; Y203-F222 AromaticContact CE1-CD1 3.6Å; Y203-F222 HydrophobicContact CE1-CD1 3.6Å; Y203-F222 HydrophobicContact CE1-CE1 4.32Å; Y203-F222 HydrophobicContact CE2-CB 4.05Å; Y203-F222 HydrophobicContact CE2-CD1 4.47Å; Y203-F222 HydrophobicContact CG-CB 4.4Å; Y203-F222 AromaticContact CG-CD1 3.94Å; Y203-F222 HydrophobicContact CG-CD1 3.94Å; Y203-P223 WeakPolarHBondContact CE2-O 3.39Å
204P79.9Confident77.2Confident18 Ų1847.1 Ų47.112%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-68.5143.2176.928.2-30.4000110.6L155 S210L155-P204 HydrophobicContact CD1-CB 3.52Å; L155-P204 HydrophobicContact CD1-CG 3.42Å; L155-P204 VanDerWaalsContact CD1-CG 3.42Å; P204-S210 PolarHBondContact O-OG 3.07Å
205L79.5Confident76.5Confident0 Ų047.6 Ų47.60%025%0.25CS..EExtended strand (participates in β ladder)trans-113.4107.9174.8-65.9176.3000108.9I140 V193 G194 I196 Y203 L254 M257I140-L205 HydrophobicContact CG2-CD1 3.78Å; V193-L205 PolarHBondContact N-O 3.37Å; G194-L205 PolarHBondContact N-O 2.95Å; G194-L205 PolarHBondContact O-N 3.48Å; I196-L205 HydrophobicContact CD1-CD1 4.42Å; I196-L205 HydrophobicContact CD1-CD2 3.98Å; I196-L205 HydrophobicContact CG1-CD1 3.71Å; I196-L205 HydrophobicContact CG1-CD2 3.98Å; I196-L205 HydrophobicContact CG1-CG 3.97Å; Y203-L205 HydrophobicContact CD1-CD2 4.13Å; Y203-L205 HydrophobicContact CE1-CD2 4.4Å; L205-L254 HydrophobicContact CD2-CD2 4.25Å; L205-M257 CarbonylContact C-O 3.55Å; L205-M257 HydrophobicContact CB-CB 3.99Å; L205-M257 HydrophobicContact CB-CE 4.27Å; L205-M257 WeakPolarHBondContact CB-O 3.44Å; L205-M257 HydrophobicContact CD1-CB 4.08Å; L205-M257 HydrophobicContact CD1-CE 4.11Å; L205-M257 HydrophobicContact CD1-SD 4.34Å
206I78.9Confident75.4Confident34 Ų3453.3 Ų53.317%0.17428%0.277CS..  trans-114.6118172.9-50.8166.6000106A192 D208 E209 S210 M257A192-I206 HydrophobicContact CB-CG1 4Å; I206-D208 PolarHBondContact O-N 3.4Å; I206-E209 HydrophobicContact CB-CB 4.01Å; I206-E209 HydrophobicContact CG2-CB 3.77Å; I206-E209 HydrophobicContact CG2-CG 4.07Å; I206-E209 PolarHBondContact O-N 3.11Å; I206-S210 WeakPolarHBondContact CB-OG 3.22Å; I206-S210 PolarHBondContact N-OG 2.9Å; I206-S210 WeakPolarHBondContact O-CB 3.39Å; I206-S210 PolarHBondContact O-N 3Å; I206-S210 PolarHBondContact O-OG 3.26Å; I206-M257 CarbonylContact C-O 3.58Å; I206-M257 VanDerWaalsContact C-O 3.23Å; I206-M257 PolarHBondContact N-O 3.04Å
207P77.6Confident74.1Confident45 Ų4559.5 Ų59.529%0.29230%0.301SS..THydrogen-bonded Turntrans-50.1136.6174.9-25.332.9000110.7V193 E209V193-P207 HydrophobicContact CB-CG 4.2Å; V193-P207 VanDerWaalsContact CG2-CD 3.41Å; V193-P207 HydrophobicContact CG2-CG 3.53Å; P207-E209 PolarHBondContact O-N 3.43Å
208D71.7Confident73.4Confident130 Ų13057.2 Ų57.270%0.69530%0.301SS*.THydrogen-bonded Turntrans60.3-10.9179.5-56-41.3000117.7I206I206-D208 PolarHBondContact O-N 3.4Å
209E68Low73.3Confident108 Ų10857.2 Ų57.251%0.50530%0.301SS..THydrogen-bonded Turntrans-110-33.2-178.3-66.7-170.3-177.100113.9I206 P207 P211I206-E209 HydrophobicContact CB-CB 4.01Å; I206-E209 HydrophobicContact CG2-CB 3.77Å; I206-E209 HydrophobicContact CG2-CG 4.07Å; I206-E209 PolarHBondContact O-N 3.11Å; P207-E209 PolarHBondContact O-N 3.43Å; E209-P211 WeakPolarHBondContact O-CD 3.29Å
210S73.8Confident74Confident4 Ų452.6 Ų52.63%0.02828%0.276CS..SBendtrans-81.6105-177-67.50000110.7P204 I206 V212 S258 L259P204-S210 PolarHBondContact O-OG 3.07Å; I206-S210 WeakPolarHBondContact CB-OG 3.22Å; I206-S210 PolarHBondContact N-OG 2.9Å; I206-S210 WeakPolarHBondContact O-CB 3.39Å; I206-S210 PolarHBondContact O-N 3Å; I206-S210 PolarHBondContact O-OG 3.26Å; S210-V212 PolarHBondContact O-N 2.91Å; S210-S258 WeakPolarHBondContact O-CB 3.34Å; S210-L259 PolarHBondContact O-N 3.33Å
211P76.1Confident74.6Confident47 Ų4747.6 Ų47.631%0.30524%0.244SC..EExtended strand (participates in β ladder)trans-69.4133.5-175.929.9-37.9000111.4Y203 E209 P223Y203-P211 WeakPolarHBondContact OH-CD 3.46Å; Y203-P211 PolarHBondContact OH-O 3.36Å; E209-P211 WeakPolarHBondContact O-CD 3.29Å; P211-P223 HydrophobicContact CB-CG 4.11Å; P211-P223 HydrophobicContact CG-CG 3.28Å; P211-P223 WeakPolarHBondContact O-CD 3.42Å
212V79.3Confident74.9Confident3 Ų346 Ų462%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-133.8131.2167-1740000107.4Y203 S210 M221 F222 L254 S258 L259 L260 R261Y203-V212 HydrophobicContact CE1-CG2 4.2Å; S210-V212 PolarHBondContact O-N 2.91Å; V212-M221 WeakPolarHBondContact CA-O 3.38Å; V212-F222 HydrophobicContact CB-CD1 4.44Å; V212-F222 HydrophobicContact CB-CE1 4.2Å; V212-F222 HydrophobicContact CG1-CD1 4.07Å; V212-F222 HydrophobicContact CG1-CE1 3.59Å; V212-F222 HydrophobicContact CG1-CE2 4.42Å; V212-F222 HydrophobicContact CG1-CZ 3.79Å; V212-F222 HydrophobicContact CG2-CD1 3.69Å; V212-F222 HydrophobicContact CG2-CE1 3.5Å; V212-F222 HydrophobicContact CG2-CZ 4.49Å; V212-L254 HydrophobicContact CG1-CD1 4.11Å; V212-S258 WeakPolarHBondContact CG2-OG 3.45Å; V212-L259 PolarHBondContact N-O 2.93Å; V212-L260 HydrophobicContact CB-CD1 3.9Å; V212-L260 HydrophobicContact CG1-CD1 3.74Å; V212-L260 CarbonylContact O-C 3.59Å; V212-L260 WeakPolarHBondContact O-CA 3.49Å; V212-R261 PolarHBondContact O-N 3.31Å
213M72.9Confident74.5Confident98 Ų9844.3 Ų44.348%0.48323%0.232SC..EExtended strand (participates in β ladder)trans-112.4120.1177.6176.3-173.3-6400109.7Y220 M221 R261M213-Y220 CarbonylContact O-C 3.56Å; M213-Y220 WeakPolarHBondContact O-CA 3.36Å; M213-M221 HydrophobicContact CB-CB 4.19Å; M213-M221 PolarHBondContact N-O 3Å; M213-M221 PolarHBondContact O-N 3.14Å; M213-R261 WeakPolarHBondContact CA-O 3.47Å
214E78Confident73.7Confident40 Ų4045.7 Ų45.719%0.18724%0.241CC..EExtended strand (participates in β ladder)trans-83.8126.1167.7-178.3-170.3-168.900108.6Y220 L260 R261 S262 E263E214-Y220 HydrophobicContact CB-CD1 4.26Å; E214-Y220 HydrophobicContact CB-CE1 4.31Å; E214-Y220 HydrophobicContact CG-CD1 4.4Å; E214-Y220 HydrophobicContact CG-CE1 4.07Å; E214-L260 HydrophobicContact CB-CD1 4.31Å; E214-R261 PolarHBondContact N-O 2.78Å; E214-S262 PolarHBondContact OE2-OG 2.83Å; E214-E263 PolarHBondContact O-N 2.9Å
215T65.5Low72.2Confident11 Ų1148.3 Ų48.37%0.06726%0.259CS..  trans-94.9154179.861.20000110.8Y217 G218 A219 M221T215-Y217 VanDerWaalsContact CB-CE1 3.45Å; T215-Y217 HydrophobicContact CG2-CE1 3.97Å; T215-Y217 PolarHBondContact O-N 3.24Å; T215-Y217 WeakPolarHBondContact OG1-CE1 3.34Å; T215-Y217 WeakPolarHBondContact OG1-CE2 3.38Å; T215-G218 PolarHBondContact O-N 2.82Å; T215-A219 PolarHBondContact N-O 2.99Å; T215-A219 WeakPolarHBondContact OG1-CA 3.47Å; T215-A219 WeakPolarHBondContact OG1-CB 3.13Å; T215-A219 PolarHBondContact OG1-N 3.44Å; T215-A219 PolarHBondContact OG1-O 2.86Å; T215-M221 HydrophobicContact CG2-CG 3.56Å; T215-M221 HydrophobicContact CG2-SD 4.45Å
216E61.8Low70.7Confident154 Ų15451.6 Ų51.672%0.7229%0.293SS*.THydrogen-bonded Turntrans-56.8-22.7-179.5-62.5-178.4166.500114.7E263E216-E263 HydrophobicContact CG-CB 4.27Å; E216-E263 HydrophobicContact CG-CG 4.37Å
217Y59.1Low69Low129 Ų12954 Ų5451%0.50630%0.304SS..THydrogen-bonded Turntrans-96.314.2-179.856.3-89.4000113.6T215 A219T215-Y217 VanDerWaalsContact CB-CE1 3.45Å; T215-Y217 HydrophobicContact CG2-CE1 3.97Å; T215-Y217 PolarHBondContact O-N 3.24Å; T215-Y217 WeakPolarHBondContact OG1-CE1 3.34Å; T215-Y217 WeakPolarHBondContact OG1-CE2 3.38Å; Y217-A219 HydrophobicContact CD2-CB 3.86Å; Y217-A219 HydrophobicContact CE2-CB 3.36Å
218G70.5Confident67.3Low34 Ų3460.8 Ų60.835%0.35133%0.328SS..SBendtrans79.624.1172.600000114.8T215T215-G218 PolarHBondContact O-N 2.82Å
219A77.6Confident66.1Low0 Ų061 Ų610%033%0.325CS..EExtended strand (participates in β ladder)trans-102.9146.617000000111.6F122 T215 Y217 L236 V237F122-A219 HydrophobicContact CE1-CB 4.43Å; F122-A219 HydrophobicContact CZ-CB 4.48Å; T215-A219 PolarHBondContact N-O 2.99Å; T215-A219 WeakPolarHBondContact OG1-CA 3.47Å; T215-A219 WeakPolarHBondContact OG1-CB 3.13Å; T215-A219 PolarHBondContact OG1-N 3.44Å; T215-A219 PolarHBondContact OG1-O 2.86Å; Y217-A219 HydrophobicContact CD2-CB 3.86Å; Y217-A219 HydrophobicContact CE2-CB 3.36Å; A219-L236 CarbonylContact C-O 3.58Å; A219-L236 VanDerWaalsContact CA-O 3.25Å; A219-L236 WeakPolarHBondContact CA-O 3.47Å; A219-V237 HydrophobicContact CB-CG2 3.85Å
220Y84.8Confident65.1Low6 Ų664 Ų642%0.02434%0.339CS..EExtended strand (participates in β ladder)trans-106127.3174.8-54.6-91.6000109.8M213 E214 F222 G235 L236 F238 F250 E251 L254 L260M213-Y220 CarbonylContact O-C 3.56Å; M213-Y220 WeakPolarHBondContact O-CA 3.36Å; E214-Y220 HydrophobicContact CB-CD1 4.26Å; E214-Y220 HydrophobicContact CB-CE1 4.31Å; E214-Y220 HydrophobicContact CG-CD1 4.4Å; E214-Y220 HydrophobicContact CG-CE1 4.07Å; Y220-F222 WeakPolarHBondContact O-CD2 3.23Å; Y220-F222 WeakPolarHBondContact O-CE2 3.18Å; Y220-G235 CarbonylContact O-C 3.6Å; Y220-G235 VanDerWaalsContact O-CA 3.31Å; Y220-G235 WeakPolarHBondContact O-CA 3.46Å; Y220-L236 PolarHBondContact N-O 3.38Å; Y220-L236 PolarHBondContact O-N 2.89Å; Y220-F238 HydrophobicContact CD2-CE2 4.13Å; Y220-F238 HydrophobicContact CD2-CZ 4.41Å; Y220-F238 AromaticContact CE2-CD2 3.89Å; Y220-F238 HydrophobicContact CE2-CD2 3.89Å; Y220-F238 AromaticContact CE2-CE2 3.34Å; Y220-F238 HydrophobicContact CE2-CE2 3.34Å; Y220-F238 HydrophobicContact CE2-CZ 4.01Å; Y220-F250 HydrophobicContact CD1-CE1 4.07Å; Y220-F250 AromaticContact CD2-CE1 3.74Å; Y220-F250 HydrophobicContact CD2-CE1 3.74Å; Y220-F250 HydrophobicContact CE1-CD1 4.4Å; Y220-F250 HydrophobicContact CE1-CE1 4.11Å; Y220-F250 HydrophobicContact CE2-CD1 4.11Å; Y220-F250 AromaticContact CE2-CE1 3.79Å; Y220-F250 HydrophobicContact CE2-CE1 3.79Å; Y220-F250 AromaticContact CG-CE1 3.89Å; Y220-F250 HydrophobicContact CG-CE1 3.89Å; Y220-F250 AromaticContact CZ-CE1 3.97Å; Y220-E251 HydrophobicContact CE1-CG 3.88Å; Y220-E251 VanDerWaalsContact OH-CG 3.25Å; Y220-E251 WeakPolarHBondContact OH-CG 3.49Å; Y220-E251 PolarHBondContact OH-OE1 3.09Å; Y220-L254 HydrophobicContact CD1-CD1 3.93Å; Y220-L254 HydrophobicContact CE1-CD1 4.32Å; Y220-L254 HydrophobicContact CG-CD1 4.48Å; Y220-L260 HydrophobicContact CD1-CD1 4.45Å
221M78Confident64.1Low23 Ų2365.7 Ų65.711%0.11336%0.357CS..EExtended strand (participates in β ladder)trans-110.8127.3-173.6-59.6-93.952.900111.1F122 V124 V212 M213 T215 T233 V234F122-M221 HydrophobicContact CE2-CE 3.89Å; F122-M221 HydrophobicContact CE2-SD 4.45Å; F122-M221 HydrophobicContact CZ-CE 3.73Å; F122-M221 HydrophobicContact CZ-SD 4.26Å; V124-M221 HydrophobicContact CG2-CE 4.3Å; V212-M221 WeakPolarHBondContact CA-O 3.38Å; M213-M221 HydrophobicContact CB-CB 4.19Å; M213-M221 PolarHBondContact N-O 3Å; M213-M221 PolarHBondContact O-N 3.14Å; T215-M221 HydrophobicContact CG2-CG 3.56Å; T215-M221 HydrophobicContact CG2-SD 4.45Å; M221-T233 HydrophobicContact CB-CG2 4.05Å; M221-T233 HydrophobicContact CE-CG2 3.92Å; M221-T233 HydrophobicContact SD-CG2 4.41Å; M221-V234 VanDerWaalsContact CE-C 3.5Å; M221-V234 VanDerWaalsContact CE-O 3.28Å; M221-V234 WeakPolarHBondContact CE-O 3.21Å
222F82.4Confident63.6Low0 Ų065.1 Ų65.10%035%0.349CS..EExtended strand (participates in β ladder)trans-122.6110.3-175-57.5-93.8000109.2I196 W201 Y203 V212 Y220 T233 V234 L236 F250 L254I196-F222 HydrophobicContact CD1-CE1 3.58Å; I196-F222 HydrophobicContact CD1-CZ 3.91Å; W201-F222 HydrophobicContact CH2-CB 3.8Å; W201-F222 AromaticContact CH2-CD1 3.94Å; W201-F222 HydrophobicContact CH2-CD1 3.94Å; W201-F222 AromaticContact CH2-CD2 3.66Å; W201-F222 HydrophobicContact CH2-CD2 3.66Å; W201-F222 HydrophobicContact CH2-CE1 4.43Å; W201-F222 HydrophobicContact CH2-CE2 4.21Å; W201-F222 AromaticContact CH2-CG 3.52Å; W201-F222 HydrophobicContact CH2-CG 3.52Å; W201-F222 HydrophobicContact CZ2-CB 3.66Å; W201-F222 HydrophobicContact CZ2-CD2 4.3Å; W201-F222 AromaticContact CZ2-CG 3.94Å; W201-F222 HydrophobicContact CZ2-CG 3.94Å; Y203-F222 AromaticContact CD1-CD1 3.54Å; Y203-F222 HydrophobicContact CD1-CD1 3.54Å; Y203-F222 HydrophobicContact CD1-CE1 4.12Å; Y203-F222 HydrophobicContact CD1-CG 4.49Å; Y203-F222 HydrophobicContact CD2-CB 4.07Å; Y203-F222 HydrophobicContact CD2-CD1 4.39Å; Y203-F222 AromaticContact CE1-CD1 3.6Å; Y203-F222 HydrophobicContact CE1-CD1 3.6Å; Y203-F222 HydrophobicContact CE1-CE1 4.32Å; Y203-F222 HydrophobicContact CE2-CB 4.05Å; Y203-F222 HydrophobicContact CE2-CD1 4.47Å; Y203-F222 HydrophobicContact CG-CB 4.4Å; Y203-F222 AromaticContact CG-CD1 3.94Å; Y203-F222 HydrophobicContact CG-CD1 3.94Å; V212-F222 HydrophobicContact CB-CD1 4.44Å; V212-F222 HydrophobicContact CB-CE1 4.2Å; V212-F222 HydrophobicContact CG1-CD1 4.07Å; V212-F222 HydrophobicContact CG1-CE1 3.59Å; V212-F222 HydrophobicContact CG1-CE2 4.42Å; V212-F222 HydrophobicContact CG1-CZ 3.79Å; V212-F222 HydrophobicContact CG2-CD1 3.69Å; V212-F222 HydrophobicContact CG2-CE1 3.5Å; V212-F222 HydrophobicContact CG2-CZ 4.49Å; Y220-F222 WeakPolarHBondContact O-CD2 3.23Å; Y220-F222 WeakPolarHBondContact O-CE2 3.18Å; F222-T233 CarbonylContact O-C 3.56Å; F222-T233 WeakPolarHBondContact O-CA 3.39Å; F222-T233 WeakPolarHBondContact O-CG2 3.49Å; F222-V234 PolarHBondContact N-O 3.02Å; F222-V234 PolarHBondContact O-N 3.49Å; F222-L236 HydrophobicContact CD2-CD1 4.29Å; F222-L236 HydrophobicContact CD2-CG 4.18Å; F222-L236 HydrophobicContact CE2-CB 4.16Å; F222-L236 HydrophobicContact CE2-CD1 3.43Å; F222-L236 VanDerWaalsContact CE2-CD1 3.43Å; F222-L236 HydrophobicContact CE2-CG 3.62Å; F222-L236 HydrophobicContact CZ-CD1 3.85Å; F222-F250 HydrophobicContact CZ-CZ 4.48Å; F222-L254 HydrophobicContact CE1-CD2 4.39Å
223P70.8Confident63.2Low42 Ų4266.7 Ų66.727%0.27336%0.358SS..EExtended strand (participates in β ladder)trans-70.5141.9177.329.9-32.4000110Y203 P211 C225Y203-P223 WeakPolarHBondContact CE2-O 3.39Å; P211-P223 HydrophobicContact CB-CG 4.11Å; P211-P223 HydrophobicContact CG-CG 3.28Å; P211-P223 WeakPolarHBondContact O-CD 3.42Å; P223-C225 PolarHBondContact O-N 3.2Å
224T61.4Low63.6Low34 Ų3462 Ų6221%0.20934%0.335CS..PPolyproline II helixtrans-71.9126.8177.432.60000112.6G226 Y232T224-G226 PolarHBondContact O-N 3.32Å; T224-Y232 HydrophobicContact CG2-CD1 3.14Å; T224-Y232 HydrophobicContact CG2-CE1 3.26Å; T224-Y232 HydrophobicContact CG2-CG 4.23Å; T224-Y232 PolarHBondContact N-O 3.17Å; T224-Y232 VanDerWaalsContact N-O 3.14Å; T224-Y232 WeakPolarHBondContact OG1-CB 3.43Å; T224-Y232 WeakPolarHBondContact OG1-CD1 3.08Å; T224-Y232 PolarHBondContact OG1-O 2.98Å
225C49.1Very low63.8Low72 Ų7260.1 Ų60.149%0.48633%0.326SS..THydrogen-bonded Turntrans-67.9117.8163.8-60.50000110.1P223P223-C225 PolarHBondContact O-N 3.2Å
226G47.9Very low64.9Low69 Ų6959.6 Ų59.671%0.71132%0.323SS*.THydrogen-bonded Turntrans93.78.5159.700000118.5T224T224-G226 PolarHBondContact O-N 3.32Å
227Q43.8Very low66Low86 Ų8654.1 Ų54.140%0.40230%0.3SS..  trans-92.5136.8170.6-70-159.1-26.300112.2E229Q227-E229 PolarHBondContact O-N 3.15Å
228K41.3Very low67.3Low186 Ų18649 Ų4981%0.80928%0.281SS*.SBendtrans-69.5-13.3-180-80176.6176.5165.30114E230K228-E230 PolarHBondContact O-N 2.93Å
229E45.3Very low67.9Low134 Ų13448 Ų4863%0.62627%0.269SS*.SBendtrans-87106.9-179.6-64.5-171.6172.300109.4Q227 G231Q227-E229 PolarHBondContact O-N 3.15Å; E229-G231 PolarHBondContact O-N 3.02Å
230E48.4Very low67.9Low173 Ų17354.1 Ų54.181%0.80831%0.308SS*.THydrogen-bonded Turntrans-52.8123170.9-70179.3165.800109.6K228K228-E230 PolarHBondContact O-N 2.93Å
231G53.2Low67.5Low38 Ų3861.5 Ų61.539%0.39234%0.343SS..THydrogen-bonded Turntrans102.615.5173.900000116.7V124 G126 E229V124-G231 VanDerWaalsContact O-O 3.1Å; G126-G231 PolarHBondContact N-O 3.36Å; E229-G231 PolarHBondContact O-N 3.02Å
232Y64.1Low67.9Low35 Ų3560.9 Ų60.914%0.13734%0.34CS..EExtended strand (participates in β ladder)trans-83.7116.7168.1-166.9-69.6000111Q123 V124 I125 T224 V234Q123-Y232 PolarHBondContact NE2-OH 2.95Å; Q123-Y232 VanDerWaalsContact NE2-OH 3.09Å; V124-Y232 CarbonylContact O-C 3.47Å; V124-Y232 VanDerWaalsContact O-CA 3.26Å; V124-Y232 WeakPolarHBondContact O-CA 3.34Å; I125-Y232 HydrophobicContact CB-CD2 4.37Å; I125-Y232 HydrophobicContact CD1-CD2 3.89Å; I125-Y232 HydrophobicContact CD1-CE2 3.64Å; I125-Y232 HydrophobicContact CG1-CD2 3.57Å; I125-Y232 HydrophobicContact CG1-CE2 3.7Å; I125-Y232 HydrophobicContact CG2-CD2 4.27Å; T224-Y232 HydrophobicContact CG2-CD1 3.14Å; T224-Y232 HydrophobicContact CG2-CE1 3.26Å; T224-Y232 HydrophobicContact CG2-CG 4.23Å; T224-Y232 PolarHBondContact N-O 3.17Å; T224-Y232 VanDerWaalsContact N-O 3.14Å; T224-Y232 WeakPolarHBondContact OG1-CB 3.43Å; T224-Y232 WeakPolarHBondContact OG1-CD1 3.08Å; T224-Y232 PolarHBondContact OG1-O 2.98Å; Y232-V234 HydrophobicContact CD1-CG2 4.4Å; Y232-V234 HydrophobicContact CE1-CG2 3.63Å
233T71.8Confident68.2Low36 Ų3663.3 Ų63.322%0.22136%0.357CS..EExtended strand (participates in β ladder)trans-136.1139.4178.8-51.90000108.9V124 M221 F222V124-T233 WeakPolarHBondContact CA-O 3.36Å; V124-T233 WeakPolarHBondContact CB-O 3.41Å; V124-T233 PolarHBondContact N-O 3.22Å; V124-T233 PolarHBondContact O-N 3.03Å; M221-T233 HydrophobicContact CB-CG2 4.05Å; M221-T233 HydrophobicContact CE-CG2 3.92Å; M221-T233 HydrophobicContact SD-CG2 4.41Å; F222-T233 CarbonylContact O-C 3.56Å; F222-T233 WeakPolarHBondContact O-CA 3.39Å; F222-T233 WeakPolarHBondContact O-CG2 3.49Å
234V80.1Confident68.9Low0 Ų066.3 Ų66.30%037%0.371CS..EExtended strand (participates in β ladder)trans-102.5136.7174.7177.10000109.4I121 F122 W201 M221 F222 Y232I121-V234 HydrophobicContact CD1-CG1 3.44Å; I121-V234 VanDerWaalsContact CD1-CG1 3.44Å; I121-V234 HydrophobicContact CG1-CG1 3.54Å; F122-V234 CarbonylContact O-C 3.49Å; F122-V234 WeakPolarHBondContact O-CA 3.35Å; W201-V234 HydrophobicContact CD2-CG1 3.94Å; W201-V234 HydrophobicContact CE3-CG1 4.42Å; W201-V234 HydrophobicContact CG-CG1 4.4Å; W201-V234 HydrophobicContact CH2-CG1 4.23Å; W201-V234 HydrophobicContact CZ2-CB 3.76Å; W201-V234 HydrophobicContact CZ2-CG1 3.75Å; W201-V234 HydrophobicContact CZ2-CG2 4.32Å; M221-V234 VanDerWaalsContact CE-C 3.5Å; M221-V234 VanDerWaalsContact CE-O 3.28Å; M221-V234 WeakPolarHBondContact CE-O 3.21Å; F222-V234 PolarHBondContact N-O 3.02Å; F222-V234 PolarHBondContact O-N 3.49Å; Y232-V234 HydrophobicContact CD1-CG2 4.4Å; Y232-V234 HydrophobicContact CE1-CG2 3.63Å
235G83.9Confident70.2Confident0 Ų069.7 Ų69.70%039%0.388CS..EExtended strand (participates in β ladder)trans-117.3141.6176.400000114I121 F122 Y220I121-G235 CarbonylContact C-O 3.5Å; I121-G235 WeakPolarHBondContact CA-O 3.42Å; F122-G235 VanDerWaalsContact CD1-O 3.27Å; F122-G235 WeakPolarHBondContact CD1-O 3.29Å; F122-G235 VanDerWaalsContact CE1-C 3.46Å; F122-G235 VanDerWaalsContact CE1-CA 3.47Å; F122-G235 PolarHBondContact N-O 3.14Å; F122-G235 PolarHBondContact O-N 3.29Å; Y220-G235 CarbonylContact O-C 3.6Å; Y220-G235 VanDerWaalsContact O-CA 3.31Å; Y220-G235 WeakPolarHBondContact O-CA 3.46Å
236L87.6Confident72.3Confident0 Ų068.5 Ų68.50%038%0.377CS..EExtended strand (participates in β ladder)trans-114.2130.6172.7-59.2-178.7000109.3V119 Q120 I121 L138 V198 W201 A219 Y220 F222 F250V119-L236 HydrophobicContact CG1-CB 4.47Å; V119-L236 HydrophobicContact CG1-CD2 4.21Å; Q120-L236 WeakPolarHBondContact O-CA 3.36Å; I121-L236 HydrophobicContact CB-CD2 3.93Å; I121-L236 HydrophobicContact CD1-CD2 4.16Å; I121-L236 HydrophobicContact CG1-CD2 3.98Å; L138-L236 HydrophobicContact CD1-CD1 3.78Å; V198-L236 HydrophobicContact CB-CD2 4.38Å; V198-L236 HydrophobicContact CG1-CD2 4.29Å; V198-L236 HydrophobicContact CG2-CD1 4.13Å; V198-L236 HydrophobicContact CG2-CD2 3.93Å; W201-L236 HydrophobicContact CZ3-CD1 4.07Å; W201-L236 HydrophobicContact CZ3-CD2 4.32Å; W201-L236 HydrophobicContact CZ3-CG 4.42Å; A219-L236 CarbonylContact C-O 3.58Å; A219-L236 VanDerWaalsContact CA-O 3.25Å; A219-L236 WeakPolarHBondContact CA-O 3.47Å; Y220-L236 PolarHBondContact N-O 3.38Å; Y220-L236 PolarHBondContact O-N 2.89Å; F222-L236 HydrophobicContact CD2-CD1 4.29Å; F222-L236 HydrophobicContact CD2-CG 4.18Å; F222-L236 HydrophobicContact CE2-CB 4.16Å; F222-L236 HydrophobicContact CE2-CD1 3.43Å; F222-L236 VanDerWaalsContact CE2-CD1 3.43Å; F222-L236 HydrophobicContact CE2-CG 3.62Å; F222-L236 HydrophobicContact CZ-CD1 3.85Å; L236-F250 HydrophobicContact CD1-CZ 4.49Å
237V85.2Confident74.3Confident40 Ų4067.6 Ų67.624%0.24235%0.353CS..EExtended strand (participates in β ladder)trans-124.1138.2171.9-169.60000108.6Q120 F122 A219Q120-V237 PolarHBondContact N-O 3.15Å; Q120-V237 PolarHBondContact O-N 3.24Å; F122-V237 HydrophobicContact CD1-CG2 3.95Å; F122-V237 HydrophobicContact CE1-CG2 3.45Å; F122-V237 VanDerWaalsContact CE1-CG2 3.45Å; F122-V237 HydrophobicContact CZ-CG2 4.49Å; A219-V237 HydrophobicContact CB-CG2 3.85Å
238F87.1Confident76.5Confident22 Ų2270 Ų7010%0.09636%0.362CS..EExtended strand (participates in β ladder)trans-89134.4172.9-60.5-42.8000111.5I115 G118 V119 Y220 V242 K247 F250I115-F238 HydrophobicContact CD1-CD1 4.32Å; I115-F238 HydrophobicContact CD1-CE1 3.69Å; I115-F238 HydrophobicContact CD1-CZ 4Å; G118-F238 CarbonylContact O-C 3.59Å; V119-F238 HydrophobicContact CB-CD1 4.45Å; V119-F238 HydrophobicContact CG1-CD1 4.29Å; V119-F238 HydrophobicContact CG1-CE1 4.14Å; V119-F238 HydrophobicContact CG2-CD1 3.84Å; V119-F238 HydrophobicContact CG2-CE1 3.78Å; Y220-F238 HydrophobicContact CD2-CE2 4.13Å; Y220-F238 HydrophobicContact CD2-CZ 4.41Å; Y220-F238 AromaticContact CE2-CD2 3.89Å; Y220-F238 HydrophobicContact CE2-CD2 3.89Å; Y220-F238 AromaticContact CE2-CE2 3.34Å; Y220-F238 HydrophobicContact CE2-CE2 3.34Å; Y220-F238 HydrophobicContact CE2-CZ 4.01Å; F238-V242 HydrophobicContact CB-CB 4.27Å; F238-V242 HydrophobicContact CB-CG2 4.2Å; F238-K247 HydrophobicContact CD2-CD 4.16Å; F238-K247 HydrophobicContact CD2-CG 3.72Å; F238-K247 HydrophobicContact CE2-CG 4.11Å; F238-K247 HydrophobicContact CG-CG 4.48Å; F238-F250 AromaticContact CE2-CD1 3.74Å; F238-F250 HydrophobicContact CE2-CD1 3.74Å; F238-F250 HydrophobicContact CE2-CE1 4.1Å; F238-F250 HydrophobicContact CE2-CG 4.31Å; F238-F250 HydrophobicContact CZ-CB 4.41Å; F238-F250 AromaticContact CZ-CD1 3.46Å; F238-F250 HydrophobicContact CZ-CD1 3.46Å; F238-F250 VanDerWaalsContact CZ-CD1 3.46Å; F238-F250 HydrophobicContact CZ-CD2 4.26Å; F238-F250 AromaticContact CZ-CE1 3.63Å; F238-F250 HydrophobicContact CZ-CE1 3.63Å; F238-F250 HydrophobicContact CZ-CE2 4.44Å; F238-F250 AromaticContact CZ-CG 3.78Å; F238-F250 HydrophobicContact CZ-CG 3.78Å; F238-F250 HydrophobicContact CZ-CZ 4.12Å
239S81.3Confident78.9Confident13 Ų1366.6 Ų66.69%0.09135%0.347CS..  trans-58.4146.9166.3-179.60000109.1G118 E241 V242G118-S239 VanDerWaalsContact O-CB 3.3Å; G118-S239 WeakPolarHBondContact O-CB 3.37Å; G118-S239 PolarHBondContact O-N 3.27Å; S239-E241 PolarHBondContact O-N 2.88Å; S239-E241 PolarHBondContact OG-N 2.88Å; S239-V242 PolarHBondContact O-N 3.24Å
240P78.4Confident81.2Confident127 Ų12760.2 Ų60.283%0.82532%0.318SS*.THydrogen-bonded Turntrans-57.6-15172.623.4-34.6000113.9
241E76.9Confident83.2Confident162 Ų16254 Ų5476%0.75729%0.288SS*.THydrogen-bonded Turntrans-77.7-16.2177.5-62.5171.7170.300113.9S239S239-E241 PolarHBondContact O-N 2.88Å; S239-E241 PolarHBondContact OG-N 2.88Å
242V84.9Confident85Confident10 Ų1055.9 Ų55.96%0.06130%0.296CS..SBendtrans-74129.3178.8-179.70000109.6I115 F238 S239 D246 K247I115-V242 HydrophobicContact CD1-CG1 4.26Å; I115-V242 HydrophobicContact CG2-CG1 4.34Å; I115-V242 HydrophobicContact CG2-CG2 4.29Å; F238-V242 HydrophobicContact CB-CB 4.27Å; F238-V242 HydrophobicContact CB-CG2 4.2Å; S239-V242 PolarHBondContact O-N 3.24Å; V242-D246 HydrophobicContact CG1-CB 4.2Å; V242-K247 HydrophobicContact CG1-CG 4.15Å; V242-K247 VanDerWaalsContact O-CE 3.29Å; V242-K247 WeakPolarHBondContact O-CE 3.34Å; V242-K247 PolarHBondContact O-NZ 2.9Å
243S88.7Confident86.3Confident51 Ų5155.7 Ų55.736%0.35730%0.297SS..  trans-62143-178.582.40000111.7D245 D246 K247S243-D245 PolarHBondContact O-N 3.42Å; S243-D246 PolarHBondContact O-N 2.99Å; S243-D246 VanDerWaalsContact O-N 3.14Å; S243-D246 WeakPolarHBondContact OG-CB 3.41Å; S243-D246 PolarHBondContact OG-N 3.02Å; S243-D246 VanDerWaalsContact OG-N 3.11Å; S243-D246 PolarHBondContact OG-OD2 3.4Å; S243-K247 PolarHBondContact O-N 3Å; S243-K247 VanDerWaalsContact O-N 3.15Å
244D86.4Confident87.1Confident104 Ų10454 Ų5456%0.55629%0.286SS*.Hα-helixtrans-66-26.3178.5-68.1-26.4000112.1K247 K248D244-K247 PolarHBondContact O-N 3.4Å; D244-K247 IonicContact OD1-NZ 3.92Å; D244-K247 PolarHBondContact OD1-NZ 3.36Å; D244-K248 WeakPolarHBondContact O-CG 3.39Å; D244-K248 PolarHBondContact O-N 2.93Å
245D89.7Confident87.5Confident105 Ų10561 Ų6156%0.56131%0.313SS*.Hα-helixtrans-65-40.1172.6-69.9-22.7000111.7S243 K248 K249S243-D245 PolarHBondContact O-N 3.42Å; D245-K248 PolarHBondContact O-N 3.25Å; D245-K249 VanDerWaalsContact O-CG 3.3Å; D245-K249 WeakPolarHBondContact O-CG 3.32Å; D245-K249 PolarHBondContact O-N 2.95Å
246D91.5Very high87.6Confident48 Ų4866.5 Ų66.526%0.25734%0.342SS..Hα-helixtrans-68.6-37.5176-66.5-33.9000111.5F113 V242 S243 K249 F250F113-D246 HydrophobicContact CZ-CB 4.18Å; F113-D246 VanDerWaalsContact CZ-O 3.31Å; F113-D246 WeakPolarHBondContact CZ-O 3.46Å; V242-D246 HydrophobicContact CG1-CB 4.2Å; S243-D246 PolarHBondContact O-N 2.99Å; S243-D246 VanDerWaalsContact O-N 3.14Å; S243-D246 WeakPolarHBondContact OG-CB 3.41Å; S243-D246 PolarHBondContact OG-N 3.02Å; S243-D246 VanDerWaalsContact OG-N 3.11Å; S243-D246 PolarHBondContact OG-OD2 3.4Å; D246-K249 PolarHBondContact O-N 2.98Å; D246-F250 VanDerWaalsContact O-CB 3.31Å; D246-F250 WeakPolarHBondContact O-CB 3.4Å; D246-F250 PolarHBondContact O-N 3.49Å
247K89.8Confident87.3Confident49 Ų4966.7 Ų66.721%0.21334%0.343CS..Hα-helixtrans-62.4-46174.1-62.1177.7-164.7150.10111.6F238 V242 S243 D244 K249 F250 E251F238-K247 HydrophobicContact CD2-CD 4.16Å; F238-K247 HydrophobicContact CD2-CG 3.72Å; F238-K247 HydrophobicContact CE2-CG 4.11Å; F238-K247 HydrophobicContact CG-CG 4.48Å; V242-K247 HydrophobicContact CG1-CG 4.15Å; V242-K247 VanDerWaalsContact O-CE 3.29Å; V242-K247 WeakPolarHBondContact O-CE 3.34Å; V242-K247 PolarHBondContact O-NZ 2.9Å; S243-K247 PolarHBondContact O-N 3Å; S243-K247 VanDerWaalsContact O-N 3.15Å; D244-K247 PolarHBondContact O-N 3.4Å; D244-K247 IonicContact OD1-NZ 3.92Å; D244-K247 PolarHBondContact OD1-NZ 3.36Å; K247-K249 PolarHBondContact O-N 3.5Å; K247-F250 WeakPolarHBondContact O-CB 3.49Å; K247-F250 PolarHBondContact O-N 3.33Å; K247-E251 PolarHBondContact O-N 3.34Å
248K91Very high87.2Confident138 Ų13865 Ų6560%0.633%0.333SS*.Hα-helixtrans-61.2-43176.4-74172.7-176.3172.30112.2D244 D245 E251 S252D244-K248 WeakPolarHBondContact O-CG 3.39Å; D244-K248 PolarHBondContact O-N 2.93Å; D245-K248 PolarHBondContact O-N 3.25Å; K248-E251 PolarHBondContact O-N 2.89Å; K248-S252 WeakPolarHBondContact O-CB 3.33Å; K248-S252 PolarHBondContact O-N 2.91Å
249K92.4Very high86.7Confident114 Ų11466.4 Ų66.450%0.49634%0.341SS..Hα-helixtrans-62.4-45.4175.1-74.1171.5-172.5168.20111.4F113 D245 D246 K247 E251 S252 I253F113-K249 HydrophobicContact CD2-CB 4.29Å; F113-K249 HydrophobicContact CE2-CB 3.71Å; F113-K249 HydrophobicContact CE2-CD 4.18Å; F113-K249 HydrophobicContact CZ-CB 4.25Å; D245-K249 VanDerWaalsContact O-CG 3.3Å; D245-K249 WeakPolarHBondContact O-CG 3.32Å; D245-K249 PolarHBondContact O-N 2.95Å; D246-K249 PolarHBondContact O-N 2.98Å; K247-K249 PolarHBondContact O-N 3.5Å; K249-E251 PolarHBondContact O-N 2.92Å; K249-S252 WeakPolarHBondContact O-CB 3.41Å; K249-S252 PolarHBondContact O-N 2.92Å; K249-I253 VanDerWaalsContact O-CG1 3.28Å; K249-I253 WeakPolarHBondContact O-CG1 3.42Å; K249-I253 PolarHBondContact O-N 2.77Å
250F92.8Very high86.7Confident0 Ų067.1 Ų67.10%034%0.344CS..Hα-helixtrans-57.3-49.3176.6175.9-102000111.9F113 L138 I140 Y220 F222 L236 F238 D246 K247 S252 I253 L254F113-F250 HydrophobicContact CD1-CD2 4.32Å; F113-F250 HydrophobicContact CE1-CB 3.75Å; F113-F250 AromaticContact CE1-CD2 3.98Å; F113-F250 HydrophobicContact CE1-CD2 3.98Å; F113-F250 HydrophobicContact CE1-CG 4.36Å; F113-F250 HydrophobicContact CZ-CB 4.1Å; L138-F250 HydrophobicContact CD1-CD2 4.36Å; L138-F250 HydrophobicContact CD1-CE2 3.66Å; L138-F250 HydrophobicContact CD1-CZ 4.19Å; L138-F250 HydrophobicContact CD2-CD2 3.96Å; L138-F250 HydrophobicContact CD2-CE2 3.87Å; L138-F250 HydrophobicContact CG-CE2 4.44Å; I140-F250 HydrophobicContact CD1-CD2 3.78Å; I140-F250 HydrophobicContact CD1-CE2 3.9Å; Y220-F250 HydrophobicContact CD1-CE1 4.07Å; Y220-F250 AromaticContact CD2-CE1 3.74Å; Y220-F250 HydrophobicContact CD2-CE1 3.74Å; Y220-F250 HydrophobicContact CE1-CD1 4.4Å; Y220-F250 HydrophobicContact CE1-CE1 4.11Å; Y220-F250 HydrophobicContact CE2-CD1 4.11Å; Y220-F250 AromaticContact CE2-CE1 3.79Å; Y220-F250 HydrophobicContact CE2-CE1 3.79Å; Y220-F250 AromaticContact CG-CE1 3.89Å; Y220-F250 HydrophobicContact CG-CE1 3.89Å; Y220-F250 AromaticContact CZ-CE1 3.97Å; F222-F250 HydrophobicContact CZ-CZ 4.48Å; L236-F250 HydrophobicContact CD1-CZ 4.49Å; F238-F250 AromaticContact CE2-CD1 3.74Å; F238-F250 HydrophobicContact CE2-CD1 3.74Å; F238-F250 HydrophobicContact CE2-CE1 4.1Å; F238-F250 HydrophobicContact CE2-CG 4.31Å; F238-F250 HydrophobicContact CZ-CB 4.41Å; F238-F250 AromaticContact CZ-CD1 3.46Å; F238-F250 HydrophobicContact CZ-CD1 3.46Å; F238-F250 VanDerWaalsContact CZ-CD1 3.46Å; F238-F250 HydrophobicContact CZ-CD2 4.26Å; F238-F250 AromaticContact CZ-CE1 3.63Å; F238-F250 HydrophobicContact CZ-CE1 3.63Å; F238-F250 HydrophobicContact CZ-CE2 4.44Å; F238-F250 AromaticContact CZ-CG 3.78Å; F238-F250 HydrophobicContact CZ-CG 3.78Å; F238-F250 HydrophobicContact CZ-CZ 4.12Å; D246-F250 VanDerWaalsContact O-CB 3.31Å; D246-F250 WeakPolarHBondContact O-CB 3.4Å; D246-F250 PolarHBondContact O-N 3.49Å; K247-F250 WeakPolarHBondContact O-CB 3.49Å; K247-F250 PolarHBondContact O-N 3.33Å; F250-S252 PolarHBondContact O-N 3.44Å; F250-I253 PolarHBondContact O-N 2.84Å; F250-L254 HydrophobicContact CD1-CD1 3.93Å; F250-L254 HydrophobicContact CD1-CG 4.42Å; F250-L254 HydrophobicContact CE1-CD1 3.27Å; F250-L254 HydrophobicContact CE1-CG 4.03Å; F250-L254 HydrophobicContact CE2-CD1 4.35Å; F250-L254 HydrophobicContact CE2-CG 4.36Å; F250-L254 HydrophobicContact CZ-CD1 3.52Å; F250-L254 HydrophobicContact CZ-CD2 4.27Å; F250-L254 HydrophobicContact CZ-CG 4Å; F250-L254 PolarHBondContact O-N 2.85Å
251E90.5Very high86.2Confident42 Ų4269 Ų6920%0.19633%0.334CS..Hα-helixtrans-61.9-42.1176.5-76.2177.3-170.100112.8Y220 K247 K248 K249 I253 L254 R255Y220-E251 HydrophobicContact CE1-CG 3.88Å; Y220-E251 VanDerWaalsContact OH-CG 3.25Å; Y220-E251 WeakPolarHBondContact OH-CG 3.49Å; Y220-E251 PolarHBondContact OH-OE1 3.09Å; K247-E251 PolarHBondContact O-N 3.34Å; K248-E251 PolarHBondContact O-N 2.89Å; K249-E251 PolarHBondContact O-N 2.92Å; E251-I253 PolarHBondContact O-N 3.27Å; E251-L254 PolarHBondContact O-N 3.44Å; E251-R255 WeakPolarHBondContact O-CG 3.34Å; E251-R255 PolarHBondContact O-N 2.8Å
252S91Very high85.4Confident78 Ų7863.8 Ų63.855%0.54532%0.316SS..Hα-helixtrans-58.2-40.1176.2-1740000111.6K248 K249 F250 D256K248-S252 WeakPolarHBondContact O-CB 3.33Å; K248-S252 PolarHBondContact O-N 2.91Å; K249-S252 WeakPolarHBondContact O-CB 3.41Å; K249-S252 PolarHBondContact O-N 2.92Å; F250-S252 PolarHBondContact O-N 3.44Å; S252-D256 PolarHBondContact O-N 2.75Å
253I90.7Very high83.7Confident30 Ų3067.8 Ų67.815%0.15433%0.334CS..Hα-helixtrans-70-41.8177.8-66163.9000110.9I112 F113 I140 K249 F250 E251 R255 D256 M257I112-I253 HydrophobicContact CD1-CG2 3.84Å; F113-I253 HydrophobicContact CB-CD1 3.37Å; F113-I253 HydrophobicContact CD1-CD1 4.16Å; F113-I253 HydrophobicContact CD2-CD1 4Å; F113-I253 HydrophobicContact CG-CD1 3.58Å; I140-I253 HydrophobicContact CD1-CB 4.34Å; I140-I253 HydrophobicContact CD1-CD1 4.42Å; I140-I253 HydrophobicContact CD1-CG2 3.79Å; I140-I253 HydrophobicContact CG2-CG2 4.08Å; K249-I253 VanDerWaalsContact O-CG1 3.28Å; K249-I253 WeakPolarHBondContact O-CG1 3.42Å; K249-I253 PolarHBondContact O-N 2.77Å; F250-I253 PolarHBondContact O-N 2.84Å; E251-I253 PolarHBondContact O-N 3.27Å; I253-R255 PolarHBondContact O-N 2.97Å; I253-D256 PolarHBondContact O-N 2.82Å; I253-M257 HydrophobicContact CG2-CG 4.45Å; I253-M257 HydrophobicContact CG2-SD 3.81Å; I253-M257 WeakPolarHBondContact O-CB 3.26Å; I253-M257 PolarHBondContact O-N 3.26Å
254L89.2Confident80.9Confident0 Ų071.7 Ų71.70%036%0.355CS..Hα-helixtrans-63-40.7176.1-72.6-175.2000112.3I196 L205 V212 Y220 F222 F250 E251 D256 M257 S258 L260I196-L254 HydrophobicContact CD1-CD2 3.63Å; L205-L254 HydrophobicContact CD2-CD2 4.25Å; V212-L254 HydrophobicContact CG1-CD1 4.11Å; Y220-L254 HydrophobicContact CD1-CD1 3.93Å; Y220-L254 HydrophobicContact CE1-CD1 4.32Å; Y220-L254 HydrophobicContact CG-CD1 4.48Å; F222-L254 HydrophobicContact CE1-CD2 4.39Å; F250-L254 HydrophobicContact CD1-CD1 3.93Å; F250-L254 HydrophobicContact CD1-CG 4.42Å; F250-L254 HydrophobicContact CE1-CD1 3.27Å; F250-L254 HydrophobicContact CE1-CG 4.03Å; F250-L254 HydrophobicContact CE2-CD1 4.35Å; F250-L254 HydrophobicContact CE2-CG 4.36Å; F250-L254 HydrophobicContact CZ-CD1 3.52Å; F250-L254 HydrophobicContact CZ-CD2 4.27Å; F250-L254 HydrophobicContact CZ-CG 4Å; F250-L254 PolarHBondContact O-N 2.85Å; E251-L254 PolarHBondContact O-N 3.44Å; L254-D256 VanDerWaalsContact C-N 3.27Å; L254-D256 PolarHBondContact O-N 2.85Å; L254-M257 PolarHBondContact O-N 3.46Å; L254-S258 CarbonylContact O-C 3.58Å; L254-S258 WeakPolarHBondContact O-CA 3.5Å; L254-S258 WeakPolarHBondContact O-CB 3.45Å; L254-S258 PolarHBondContact O-N 2.9Å; L254-S258 PolarHBondContact O-OG 2.84Å; L254-L260 HydrophobicContact CB-CD2 4.41Å; L254-L260 HydrophobicContact CD1-CD1 4.37Å
255R87.9Confident78.3Confident148 Ų14872.3 Ų72.356%0.55836%0.363SS*.Hα-helixtrans-62.3-35.1176.4-72.5178.2-167.5-98-1.2112.4E251 I253 L260E251-R255 WeakPolarHBondContact O-CG 3.34Å; E251-R255 PolarHBondContact O-N 2.8Å; I253-R255 PolarHBondContact O-N 2.97Å; R255-L260 HydrophobicContact CG-CB 4.3Å; R255-L260 HydrophobicContact CG-CD2 3.54Å
256D86.1Confident75.3Confident116 Ų11673.8 Ų73.862%0.6237%0.368SS*.Hα-helixtrans-78.3-37.5179.7-170.755.4000112.6S252 I253 L254S252-D256 PolarHBondContact O-N 2.75Å; I253-D256 PolarHBondContact O-N 2.82Å; L254-D256 VanDerWaalsContact C-N 3.27Å; L254-D256 PolarHBondContact O-N 2.85Å
257M82.5Confident72.4Confident4 Ų477 Ų772%0.0239%0.391CS..Hα-helixtrans-109.11.9-169.5-57.4-177.764.800114.6I112 K142 V193 L205 I206 I253 L254I112-M257 HydrophobicContact CD1-CE 4.45Å; I112-M257 HydrophobicContact CD1-SD 3.59Å; I112-M257 VanDerWaalsContact CD1-SD 3.59Å; K142-M257 HydrophobicContact CB-CE 4.4Å; K142-M257 HydrophobicContact CG-CE 4.36Å; V193-M257 HydrophobicContact CB-CE 4.22Å; V193-M257 HydrophobicContact CG1-CE 4.05Å; L205-M257 CarbonylContact C-O 3.55Å; L205-M257 HydrophobicContact CB-CB 3.99Å; L205-M257 HydrophobicContact CB-CE 4.27Å; L205-M257 WeakPolarHBondContact CB-O 3.44Å; L205-M257 HydrophobicContact CD1-CB 4.08Å; L205-M257 HydrophobicContact CD1-CE 4.11Å; L205-M257 HydrophobicContact CD1-SD 4.34Å; I206-M257 CarbonylContact C-O 3.58Å; I206-M257 VanDerWaalsContact C-O 3.23Å; I206-M257 PolarHBondContact N-O 3.04Å; I253-M257 HydrophobicContact CG2-CG 4.45Å; I253-M257 HydrophobicContact CG2-SD 3.81Å; I253-M257 WeakPolarHBondContact O-CB 3.26Å; I253-M257 PolarHBondContact O-N 3.26Å; L254-M257 PolarHBondContact O-N 3.46Å
258S81.7Confident69.7Low3 Ų383.1 Ų83.12%0.02142%0.421CS..SBendtrans-152.2166.5-177.578.60000112.4S210 V212 L254 L260S210-S258 WeakPolarHBondContact O-CB 3.34Å; V212-S258 WeakPolarHBondContact CG2-OG 3.45Å; L254-S258 CarbonylContact O-C 3.58Å; L254-S258 WeakPolarHBondContact O-CA 3.5Å; L254-S258 WeakPolarHBondContact O-CB 3.45Å; L254-S258 PolarHBondContact O-N 2.9Å; L254-S258 PolarHBondContact O-OG 2.84Å; S258-L260 VanDerWaalsContact C-N 3.33Å; S258-L260 PolarHBondContact O-N 3.42Å; S258-L260 VanDerWaalsContact O-N 3.11Å
259L78.1Confident67.3Low53 Ų5379.7 Ų79.728%0.27741%0.409SS..EExtended strand (participates in β ladder)trans-83.178.5170.3-173.571000109.7S210 V212 R261S210-L259 PolarHBondContact O-N 3.33Å; V212-L259 PolarHBondContact N-O 2.93Å; L259-R261 PolarHBondContact O-N 2.91Å
260L80.3Confident65Low27 Ų2778.1 Ų78.114%0.14141%0.409CS..EExtended strand (participates in β ladder)trans-74.7122.4174.8-174.367.6000110.5V212 E214 Y220 L254 R255 S258V212-L260 HydrophobicContact CB-CD1 3.9Å; V212-L260 HydrophobicContact CG1-CD1 3.74Å; V212-L260 CarbonylContact O-C 3.59Å; V212-L260 WeakPolarHBondContact O-CA 3.49Å; E214-L260 HydrophobicContact CB-CD1 4.31Å; Y220-L260 HydrophobicContact CD1-CD1 4.45Å; L254-L260 HydrophobicContact CB-CD2 4.41Å; L254-L260 HydrophobicContact CD1-CD1 4.37Å; R255-L260 HydrophobicContact CG-CB 4.3Å; R255-L260 HydrophobicContact CG-CD2 3.54Å; S258-L260 VanDerWaalsContact C-N 3.33Å; S258-L260 PolarHBondContact O-N 3.42Å; S258-L260 VanDerWaalsContact O-N 3.11Å
261R68.2Low62.6Low166 Ų16686.1 Ų86.163%0.62645%0.446SS*.EExtended strand (participates in β ladder)trans-116.6124.1171.2-63.1-173.8179.7-156.6-1.2109.2V212 M213 E214 L259V212-R261 PolarHBondContact O-N 3.31Å; M213-R261 WeakPolarHBondContact CA-O 3.47Å; E214-R261 PolarHBondContact N-O 2.78Å; L259-R261 PolarHBondContact O-N 2.91Å
262S60.4Low60.3Low53 Ų5387.8 Ų87.837%0.37146%0.462SS..EExtended strand (participates in β ladder)trans-85.9136.8167.9-52.30000108.9E214E214-S262 PolarHBondContact OE2-OG 2.83Å
263E48.1Very low58.1Low95 Ų9588 Ų8844%0.44446%0.455SS..PPolyproline II helixtrans-60.1137.1169.2-157.3161.4-164.100109.4E214 E216 T265E214-E263 PolarHBondContact O-N 2.9Å; E216-E263 HydrophobicContact CG-CB 4.27Å; E216-E263 HydrophobicContact CG-CG 4.37Å; E263-T265 PolarHBondContact O-N 2.91Å; E263-T265 VanDerWaalsContact O-N 3.15Å
264V29.5Very low55.9Low132 Ų13294.1 Ų94.180%0.848%0.476SS*.PPolyproline II helixtrans-57.1117.7-169.51750000110.9
265T31.7Very low53.8Low117 Ų117101.3 Ų101.372%0.71851%0.51SS*.PPolyproline II helixtrans-85.5138.7-174.2-26.90000112.4E263E263-T265 PolarHBondContact O-N 2.91Å; E263-T265 VanDerWaalsContact O-N 3.15Å
266M26.8Very low51.8Low136 Ų13697.8 Ų97.867%0.6751%0.505SS*.PPolyproline II helixtrans-71.7162.2162.3-67-73.4-71.200110.7T392M266-T392 HydrophobicContact CB-CG2 4.24Å
267P31.8Very low49.6Very low115 Ų11594.4 Ų94.475%0.74749%0.486SS*.PPolyproline II helixtrans-64.5141.5-172.7-14.727.9000114.2
268E33.4Very low47.9Very low178 Ų17897.9 Ų97.983%0.83251%0.511SS*.PPolyproline II helixtrans-74140.5-178.9-70.8-169.414200114.3
269L39.7Very low46.6Very low67 Ų67105.5 Ų105.535%0.35154%0.544SS..PPolyproline II helixtrans-99144176.3-74.8133.3000111.9E273 L277L269-E273 HydrophobicContact CB-CB 4.01Å; L269-E273 HydrophobicContact CD2-CB 3.73Å; L269-E273 HydrophobicContact CD2-CG 4.23Å; L269-L277 HydrophobicContact CD1-CD1 3.92Å; L269-L277 HydrophobicContact CD1-CD2 4.26Å; L269-L277 HydrophobicContact CD2-CD1 3.72Å; L269-L277 HydrophobicContact CG-CD1 4.36Å
270T45Very low45.3Very low81 Ų81109.7 Ų109.750%0.49756%0.56SS.*PPolyproline II helixtrans-67.1162.7177.755.90000113.7S272 E273 R274T270-S272 VanDerWaalsContact C-N 3.34Å; T270-S272 PolarHBondContact O-N 3.36Å; T270-E273 WeakPolarHBondContact CB-OE2 3.32Å; T270-E273 PolarHBondContact N-OE2 3.01Å; T270-E273 CarbonylContact O-C 3.52Å; T270-E273 WeakPolarHBondContact O-CA 3.37Å; T270-E273 WeakPolarHBondContact O-CB 3.48Å; T270-E273 PolarHBondContact O-N 2.96Å; T270-E273 WeakPolarHBondContact OG1-CG 3.43Å; T270-E273 PolarHBondContact OG1-OE2 3.32Å; T270-R274 PolarHBondContact O-N 2.85Å
271E40.9Very low43.5Very low167 Ų167109.7 Ų109.778%0.7856%0.56SS**Hα-helixtrans-58.5-38.8-177.3-91.1-167.815400114.2E273 R274 E275E271-E273 VanDerWaalsContact C-N 3.32Å; E271-R274 WeakPolarHBondContact O-CB 3.4Å; E271-R274 PolarHBondContact O-N 3.41Å; E271-E275 PolarHBondContact O-N 2.82Å
272S43Very low42.6Very low77 Ų77104.1 Ų104.154%0.53855%0.549SS..Hα-helixtrans-68.3-35.1175.460.60000111.6T270 T276T270-S272 VanDerWaalsContact C-N 3.34Å; T270-S272 PolarHBondContact O-N 3.36Å; S272-T276 WeakPolarHBondContact O-CB 3.42Å; S272-T276 PolarHBondContact O-N 3Å; S272-T276 PolarHBondContact O-OG1 3.43Å
273E44.1Very low42.2Very low84 Ų84106.4 Ų106.439%0.39356%0.557SS.*Hα-helixtrans-68.2-35.3173-69.2171.7142.300111L269 T270 E271 T276 L277L269-E273 HydrophobicContact CB-CB 4.01Å; L269-E273 HydrophobicContact CD2-CB 3.73Å; L269-E273 HydrophobicContact CD2-CG 4.23Å; T270-E273 WeakPolarHBondContact CB-OE2 3.32Å; T270-E273 PolarHBondContact N-OE2 3.01Å; T270-E273 CarbonylContact O-C 3.52Å; T270-E273 WeakPolarHBondContact O-CA 3.37Å; T270-E273 WeakPolarHBondContact O-CB 3.48Å; T270-E273 PolarHBondContact O-N 2.96Å; T270-E273 WeakPolarHBondContact OG1-CG 3.43Å; T270-E273 PolarHBondContact OG1-OE2 3.32Å; E271-E273 VanDerWaalsContact C-N 3.32Å; E273-T276 PolarHBondContact O-N 2.96Å; E273-L277 WeakPolarHBondContact O-CA 3.48Å; E273-L277 WeakPolarHBondContact O-CB 3.22Å; E273-L277 WeakPolarHBondContact O-CD1 3.44Å; E273-L277 PolarHBondContact O-N 3.44Å
274R44.6Very low42Very low157 Ų157102.8 Ų102.859%0.59254%0.54SS*.Hα-helixtrans-64.8-44.4173.5-78.1-178.4173.9-179.6-1.8113.1T270 E271 L277 S278T270-R274 PolarHBondContact O-N 2.85Å; E271-R274 WeakPolarHBondContact O-CB 3.4Å; E271-R274 PolarHBondContact O-N 3.41Å; R274-L277 PolarHBondContact O-N 2.89Å; R274-S278 WeakPolarHBondContact O-CB 3.44Å; R274-S278 PolarHBondContact O-N 3.34Å
275E45.2Very low42.9Very low152 Ų15298.3 Ų98.371%0.7151%0.511SS*.Hα-helixtrans-67.2-39.4176.1-76.6-166.6150.300112E271 S278 K279E271-E275 PolarHBondContact O-N 2.82Å; E275-S278 PolarHBondContact O-N 3.35Å; E275-K279 PolarHBondContact O-N 2.89Å; E275-K279 VanDerWaalsContact O-N 3.09Å
276T46.8Very low44Very low73 Ų7396.3 Ų96.345%0.44850%0.499SS..Hα-helixtrans-69.4-36.8176.2-48.30000111.2S272 E273 K280S272-T276 WeakPolarHBondContact O-CB 3.42Å; S272-T276 PolarHBondContact O-N 3Å; S272-T276 PolarHBondContact O-OG1 3.43Å; E273-T276 PolarHBondContact O-N 2.96Å; T276-K280 HydrophobicContact CG2-CD 4.49Å; T276-K280 WeakPolarHBondContact O-CB 3.25Å; T276-K280 WeakPolarHBondContact O-CG 3.28Å; T276-K280 PolarHBondContact O-N 3.33Å
277L39.4Very low45.4Very low45 Ų4594.4 Ų94.424%0.23649%0.492CS..Hα-helixtrans-63.8-45.9171.3-109.799.6000110.8L269 E273 R274 K279 K280 I281L269-L277 HydrophobicContact CD1-CD1 3.92Å; L269-L277 HydrophobicContact CD1-CD2 4.26Å; L269-L277 HydrophobicContact CD2-CD1 3.72Å; L269-L277 HydrophobicContact CG-CD1 4.36Å; E273-L277 WeakPolarHBondContact O-CA 3.48Å; E273-L277 WeakPolarHBondContact O-CB 3.22Å; E273-L277 WeakPolarHBondContact O-CD1 3.44Å; E273-L277 PolarHBondContact O-N 3.44Å; R274-L277 PolarHBondContact O-N 2.89Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 3.14Å; L277-K280 CarbonylContact O-C 3.54Å; L277-K280 PolarHBondContact O-N 2.95Å; L277-K280 VanDerWaalsContact O-N 3.15Å; L277-I281 HydrophobicContact CB-CD1 4.18Å; L277-I281 HydrophobicContact CD2-CD1 4Å; L277-I281 WeakPolarHBondContact O-CB 3.38Å; L277-I281 WeakPolarHBondContact O-CD1 3.32Å; L277-I281 WeakPolarHBondContact O-CG1 3.36Å; L277-I281 PolarHBondContact O-N 2.97Å
278S47.4Very low46.3Very low77 Ų7795.4 Ų95.454%0.53848%0.484SS..Hα-helixtrans-56.7-46.6178.4166.80000111.6R274 E275 I281 A282R274-S278 WeakPolarHBondContact O-CB 3.44Å; R274-S278 PolarHBondContact O-N 3.34Å; E275-S278 PolarHBondContact O-N 3.35Å; S278-I281 PolarHBondContact O-N 3.13Å; S278-A282 WeakPolarHBondContact O-CB 3.49Å; S278-A282 PolarHBondContact O-N 2.87Å
279K54.5Low47.2Very low164 Ų16487 Ų8771%0.71345%0.445SS*.Hα-helixtrans-62.1-45.9173-103.2177.2177.1169.80112.6E275 L277 I281 A282 D283E275-K279 PolarHBondContact O-N 2.89Å; E275-K279 VanDerWaalsContact O-N 3.09Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 3.14Å; K279-I281 VanDerWaalsContact C-N 3.34Å; K279-I281 PolarHBondContact O-N 3.32Å; K279-A282 PolarHBondContact O-N 3.47Å; K279-D283 PolarHBondContact O-N 3.22Å
280K49.9Very low47.8Very low140 Ų14086.8 Ų86.861%0.60944%0.444SS*.Hα-helixtrans-64.5-36.2177.2-77.1176.6178.4176.70112.5T276 L277 F284T276-K280 HydrophobicContact CG2-CD 4.49Å; T276-K280 WeakPolarHBondContact O-CB 3.25Å; T276-K280 WeakPolarHBondContact O-CG 3.28Å; T276-K280 PolarHBondContact O-N 3.33Å; L277-K280 CarbonylContact O-C 3.54Å; L277-K280 PolarHBondContact O-N 2.95Å; L277-K280 VanDerWaalsContact O-N 3.15Å; K280-F284 WeakPolarHBondContact O-CB 3.4Å; K280-F284 PolarHBondContact O-N 3.09Å
281I43.6Very low48.3Very low28 Ų2889.1 Ų89.114%0.14445%0.452CS..Hα-helixtrans-68.8-43.7176.4-72.9163000109.7L277 S278 K279 F284 L285 V390L277-I281 HydrophobicContact CB-CD1 4.18Å; L277-I281 HydrophobicContact CD2-CD1 4Å; L277-I281 WeakPolarHBondContact O-CB 3.38Å; L277-I281 WeakPolarHBondContact O-CD1 3.32Å; L277-I281 WeakPolarHBondContact O-CG1 3.36Å; L277-I281 PolarHBondContact O-N 2.97Å; S278-I281 PolarHBondContact O-N 3.13Å; K279-I281 VanDerWaalsContact C-N 3.34Å; K279-I281 PolarHBondContact O-N 3.32Å; I281-F284 PolarHBondContact O-N 2.79Å; I281-L285 HydrophobicContact CG2-CD1 3.47Å; I281-L285 VanDerWaalsContact CG2-CD1 3.47Å; I281-L285 HydrophobicContact CG2-CG 4.1Å; I281-L285 WeakPolarHBondContact O-CB 3.32Å; I281-L285 WeakPolarHBondContact O-CD1 3.39Å; I281-L285 WeakPolarHBondContact O-CG 3.47Å; I281-L285 PolarHBondContact O-N 3.15Å; I281-V390 HydrophobicContact CG1-CG1 4.11Å
282A49.4Very low49.1Very low49 Ų4982.9 Ų82.941%0.40542%0.424SS..Hα-helixtrans-63.2-44.617600000112.5S278 K279 F284 L285 V286S278-A282 WeakPolarHBondContact O-CB 3.49Å; S278-A282 PolarHBondContact O-N 2.87Å; K279-A282 PolarHBondContact O-N 3.47Å; A282-F284 VanDerWaalsContact C-N 3.34Å; A282-F284 PolarHBondContact O-N 3.01Å; A282-L285 PolarHBondContact O-N 2.77Å; A282-V286 WeakPolarHBondContact O-CG2 3.49Å; A282-V286 PolarHBondContact O-N 2.91Å; A282-V286 VanDerWaalsContact O-N 3.1Å
283D52.4Low50Low100 Ų10080 Ų8054%0.53540%0.404SS..Hα-helixtrans-64.8-37.8175.2-85.3-15.2000112.3K279 N287K279-D283 PolarHBondContact O-N 3.22Å; D283-N287 PolarHBondContact O-N 2.97Å
284F43.7Very low50.7Low20 Ų2082.2 Ų82.29%0.08841%0.414CS..Iπ-helixtrans-69.6-42.6176.7-174.2-95.1000112.1K280 I281 A282 K288 S289 V387 V390K280-F284 WeakPolarHBondContact O-CB 3.4Å; K280-F284 PolarHBondContact O-N 3.09Å; I281-F284 PolarHBondContact O-N 2.79Å; A282-F284 VanDerWaalsContact C-N 3.34Å; A282-F284 PolarHBondContact O-N 3.01Å; F284-K288 HydrophobicContact CD2-CB 4Å; F284-K288 HydrophobicContact CD2-CD 4.18Å; F284-K288 HydrophobicContact CE2-CB 4.38Å; F284-K288 PolarHBondContact O-N 3.14Å; F284-S289 WeakPolarHBondContact O-CB 3.47Å; F284-S289 PolarHBondContact O-N 3.49Å; F284-V387 HydrophobicContact CE2-CG2 4.29Å; F284-V387 HydrophobicContact CZ-CB 4.19Å; F284-V387 HydrophobicContact CZ-CG1 4.48Å; F284-V387 HydrophobicContact CZ-CG2 3.56Å; F284-V390 HydrophobicContact CD1-CG1 4.38Å
285L47.4Very low51.6Low37 Ų3776.3 Ų76.319%0.19440%0.402CS..Iπ-helixtrans-64.5-44.8-178.8-82.5169.8000112.7I281 A282 S289 V396I281-L285 HydrophobicContact CG2-CD1 3.47Å; I281-L285 VanDerWaalsContact CG2-CD1 3.47Å; I281-L285 HydrophobicContact CG2-CG 4.1Å; I281-L285 WeakPolarHBondContact O-CB 3.32Å; I281-L285 WeakPolarHBondContact O-CD1 3.39Å; I281-L285 WeakPolarHBondContact O-CG 3.47Å; I281-L285 PolarHBondContact O-N 3.15Å; A282-L285 PolarHBondContact O-N 2.77Å; L285-S289 PolarHBondContact O-OG 2.6Å; L285-V396 HydrophobicContact CD2-CB 3.35Å; L285-V396 HydrophobicContact CD2-CG1 3.48Å; L285-V396 VanDerWaalsContact CD2-CG1 3.48Å
286V54.3Low52.4Low76 Ų7669.8 Ų69.846%0.46137%0.372SS..Iπ-helixtrans-89.9-39.5-171.3-179.90000112.4A282 L290A282-V286 WeakPolarHBondContact O-CG2 3.49Å; A282-V286 PolarHBondContact O-N 2.91Å; A282-V286 VanDerWaalsContact O-N 3.1Å; V286-L290 WeakPolarHBondContact O-CD1 3.49Å
287N57Low53.2Low96 Ų9672.2 Ų72.251%0.51338%0.377SS..Iπ-helixtrans-106.3-44.3-171.2-69.9-28.9000113.2D283 L291D283-N287 PolarHBondContact O-N 2.97Å; N287-L291 WeakPolarHBondContact O-CB 3.4Å; N287-L291 VanDerWaalsContact O-CD1 3.32Å; N287-L291 WeakPolarHBondContact O-CD1 3.44Å; N287-L291 WeakPolarHBondContact O-CG 3.32Å; N287-L291 PolarHBondContact O-N 3.47Å
288K51.2Low54.4Low136 Ų13675 Ų7559%0.59139%0.388SS*.Iπ-helixtrans-84.3-40.2-172.6-65.3-178178.6178.20113.7F284 L290 L291 L292F284-K288 HydrophobicContact CD2-CB 4Å; F284-K288 HydrophobicContact CD2-CD 4.18Å; F284-K288 HydrophobicContact CE2-CB 4.38Å; F284-K288 PolarHBondContact O-N 3.14Å; K288-L290 VanDerWaalsContact C-N 3.35Å; K288-L290 PolarHBondContact O-N 3.42Å; K288-L291 PolarHBondContact O-N 3.11Å; K288-L292 VanDerWaalsContact O-CB 3.3Å; K288-L292 WeakPolarHBondContact O-CB 3.32Å; K288-L292 PolarHBondContact O-N 2.97Å
289S52.8Low55.2Low1 Ų174.7 Ų74.71%0.00738%0.376CS..Hα-helixtrans-64.9-38.4179.8830000112.3F284 L285 L292 S293 T400F284-S289 WeakPolarHBondContact O-CB 3.47Å; F284-S289 PolarHBondContact O-N 3.49Å; L285-S289 PolarHBondContact O-OG 2.6Å; S289-L292 PolarHBondContact O-N 2.87Å; S289-S293 WeakPolarHBondContact O-CB 3.27Å; S289-S293 PolarHBondContact O-N 3.48Å; S289-T400 PolarHBondContact OG-OG1 2.93Å
290L52Low55.7Low63 Ų6367.1 Ų67.133%0.3334%0.343SS..Hα-helixtrans-70.4-44.6176.6-86.1163.8000111.9V286 K288 L292 S293 H294 V469V286-L290 WeakPolarHBondContact O-CD1 3.49Å; K288-L290 VanDerWaalsContact C-N 3.35Å; K288-L290 PolarHBondContact O-N 3.42Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 3.22Å; L290-S293 PolarHBondContact O-N 3.28Å; L290-S293 PolarHBondContact O-OG 3.26Å; L290-H294 PolarHBondContact O-N 3.5Å; L290-V469 HydrophobicContact CD1-CG1 4.43Å
291L54.2Low56.7Low129 Ų12962.8 Ų62.868%0.67533%0.333SS*.Hα-helixtrans-58.3-42.4172.1-84.5166.7000111.7N287 K288 H294 G295N287-L291 WeakPolarHBondContact O-CB 3.4Å; N287-L291 VanDerWaalsContact O-CD1 3.32Å; N287-L291 WeakPolarHBondContact O-CD1 3.44Å; N287-L291 WeakPolarHBondContact O-CG 3.32Å; N287-L291 PolarHBondContact O-N 3.47Å; K288-L291 PolarHBondContact O-N 3.11Å; L291-H294 PolarHBondContact O-N 2.88Å; L291-G295 PolarHBondContact O-N 3.41Å
292L57.8Low57.9Low36 Ų3666.9 Ų66.919%0.18835%0.35CS..Hα-helixtrans-67-41.3178.5-164.667.4000111.6K288 S289 L290 H294 G295 I296 A383 V387 V401K288-L292 VanDerWaalsContact O-CB 3.3Å; K288-L292 WeakPolarHBondContact O-CB 3.32Å; K288-L292 PolarHBondContact O-N 2.97Å; S289-L292 PolarHBondContact O-N 2.87Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 3.22Å; L292-H294 VanDerWaalsContact C-N 3.28Å; L292-H294 PolarHBondContact O-N 3.22Å; L292-G295 PolarHBondContact O-N 3.03Å; L292-I296 HydrophobicContact CG-CD1 4.25Å; L292-I296 WeakPolarHBondContact O-CB 3.31Å; L292-I296 VanDerWaalsContact O-CG1 3.25Å; L292-I296 WeakPolarHBondContact O-CG1 3.28Å; L292-I296 PolarHBondContact O-N 3.35Å; L292-A383 HydrophobicContact CD1-CB 3.66Å; L292-A383 HydrophobicContact CD2-CB 4.24Å; L292-V387 HydrophobicContact CD2-CG2 4.15Å; L292-V401 HydrophobicContact CD2-CG1 4.41Å; L292-V401 HydrophobicContact CD2-CG2 3.93Å
293S62.1Low58.5Low17 Ų1765.2 Ų65.212%0.11934%0.335CS..Hα-helixtrans-62-35.9174.181.70000112.5S289 L290 K297S289-S293 WeakPolarHBondContact O-CB 3.27Å; S289-S293 PolarHBondContact O-N 3.48Å; L290-S293 PolarHBondContact O-N 3.28Å; L290-S293 PolarHBondContact O-OG 3.26Å; S293-K297 WeakPolarHBondContact O-CG 3.47Å; S293-K297 PolarHBondContact O-N 3.29Å; S293-K297 VanDerWaalsContact O-N 3.14Å
294H59.6Low59.2Low131 Ų13161.1 Ų61.161%0.60631%0.314SS*.Hα-helixtrans-70.8-43.3176.8-149.373.1000110.8L290 L291 L292 I296 K297 E298L290-H294 PolarHBondContact O-N 3.5Å; L291-H294 PolarHBondContact O-N 2.88Å; L292-H294 VanDerWaalsContact C-N 3.28Å; L292-H294 PolarHBondContact O-N 3.22Å; H294-I296 PolarHBondContact O-N 2.95Å; H294-K297 PolarHBondContact O-N 2.99Å; H294-E298 PolarHBondContact O-N 2.9Å
295G63.8Low60.5Low33 Ų3364.9 Ų64.934%0.3434%0.335SS..Hα-helixtrans-61.3-40.2173.600000113.1L291 L292 K297 E298 Y299L291-G295 PolarHBondContact O-N 3.41Å; L292-G295 PolarHBondContact O-N 3.03Å; G295-K297 PolarHBondContact O-N 3.42Å; G295-E298 PolarHBondContact O-N 3.48Å; G295-Y299 WeakPolarHBondContact O-CB 3.46Å; G295-Y299 PolarHBondContact O-N 3.39Å
296I61.1Low61.5Low14 Ų1467.2 Ų67.27%0.07235%0.347CS..Hα-helixtrans-62.2-42.4174.6-71.8164.2000110.8L292 H294 T300 V401 S404 L405 A408L292-I296 HydrophobicContact CG-CD1 4.25Å; L292-I296 WeakPolarHBondContact O-CB 3.31Å; L292-I296 VanDerWaalsContact O-CG1 3.25Å; L292-I296 WeakPolarHBondContact O-CG1 3.28Å; L292-I296 PolarHBondContact O-N 3.35Å; H294-I296 PolarHBondContact O-N 2.95Å; I296-T300 WeakPolarHBondContact O-CB 3.43Å; I296-T300 PolarHBondContact O-N 2.95Å; I296-T300 PolarHBondContact O-OG1 2.89Å; I296-V401 HydrophobicContact CD1-CG1 4.29Å; I296-S404 VanDerWaalsContact CD1-OG 3.26Å; I296-S404 WeakPolarHBondContact CD1-OG 3.29Å; I296-L405 HydrophobicContact CD1-CG 4.38Å; I296-A408 HydrophobicContact CG2-CB 3.77Å
297K64.2Low62.1Low125 Ų12564 Ų6454%0.54333%0.327SS..Hα-helixtrans-65.6-46.8176.9-75.1176.8179.41800112.5S293 H294 G295 Y299 T300 A301S293-K297 WeakPolarHBondContact O-CG 3.47Å; S293-K297 PolarHBondContact O-N 3.29Å; S293-K297 VanDerWaalsContact O-N 3.14Å; H294-K297 PolarHBondContact O-N 2.99Å; G295-K297 PolarHBondContact O-N 3.42Å; K297-Y299 VanDerWaalsContact C-N 3.32Å; K297-Y299 PolarHBondContact O-N 2.98Å; K297-T300 WeakPolarHBondContact O-CB 3.4Å; K297-T300 PolarHBondContact O-N 3.24Å; K297-A301 PolarHBondContact O-N 3.31Å
298E64.4Low62.6Low102 Ų10263.5 Ų63.548%0.47732%0.322SS..Hα-helixtrans-63.4-40.3177.7-165.2-169.5147.700111.5H294 G295 A301 K302H294-E298 PolarHBondContact O-N 2.9Å; G295-E298 PolarHBondContact O-N 3.48Å; E298-A301 PolarHBondContact O-N 2.93Å; E298-K302 PolarHBondContact O-N 2.77Å; E298-K302 IonicContact OE1-NZ 3.58Å; E298-K302 PolarHBondContact OE1-NZ 2.8Å
299Y63.4Low63.5Low72 Ų7258.5 Ų58.528%0.28231%0.309SS..Hα-helixtrans-62.6-42.8174.6178.1-91.1000112G295 K297 A301 K302 T303 M375G295-Y299 WeakPolarHBondContact O-CB 3.46Å; G295-Y299 PolarHBondContact O-N 3.39Å; K297-Y299 VanDerWaalsContact C-N 3.32Å; K297-Y299 PolarHBondContact O-N 2.98Å; Y299-A301 VanDerWaalsContact C-N 3.33Å; Y299-A301 PolarHBondContact O-N 2.96Å; Y299-K302 PolarHBondContact O-N 3.21Å; Y299-T303 WeakPolarHBondContact CE1-OG1 3.17Å; Y299-T303 WeakPolarHBondContact O-CB 3.41Å; Y299-T303 PolarHBondContact O-N 3.43Å; Y299-T303 PolarHBondContact O-OG1 2.86Å; Y299-T303 PolarHBondContact OH-OG1 2.83Å; Y299-T303 VanDerWaalsContact OH-OG1 3.06Å; Y299-M375 HydrophobicContact CE1-CE 3.75Å; Y299-M375 HydrophobicContact CE2-CE 3.73Å; Y299-M375 HydrophobicContact CE2-CG 4.29Å; Y299-M375 WeakPolarHBondContact OH-CE 3.28Å
300T64.9Low64.2Low5 Ų562.6 Ų62.63%0.03133%0.327CS..Hα-helixtrans-62-41.8176.2-57.80000111I296 K297 T303 S304 A408 T411 L412I296-T300 WeakPolarHBondContact O-CB 3.43Å; I296-T300 PolarHBondContact O-N 2.95Å; I296-T300 PolarHBondContact O-OG1 2.89Å; K297-T300 WeakPolarHBondContact O-CB 3.4Å; K297-T300 PolarHBondContact O-N 3.24Å; T300-T303 PolarHBondContact O-N 3.46Å; T300-S304 WeakPolarHBondContact O-CB 3.31Å; T300-S304 PolarHBondContact O-N 3.02Å; T300-A408 HydrophobicContact CG2-CB 4.15Å; T300-A408 WeakPolarHBondContact OG1-CB 3.29Å; T300-T411 HydrophobicContact CG2-CG2 3.92Å; T300-L412 HydrophobicContact CG2-CG 4.09Å
301A71.4Confident64.7Low48 Ų4860.2 Ų60.240%0.39731%0.314SS..Hα-helixtrans-62.3-51.2175.800000111.6K297 E298 Y299 T303 S304 D305K297-A301 PolarHBondContact O-N 3.31Å; E298-A301 PolarHBondContact O-N 2.93Å; Y299-A301 VanDerWaalsContact C-N 3.33Å; Y299-A301 PolarHBondContact O-N 2.96Å; A301-T303 VanDerWaalsContact C-N 3.26Å; A301-T303 PolarHBondContact O-N 2.91Å; A301-S304 WeakPolarHBondContact O-CA 3.21Å; A301-S304 VanDerWaalsContact O-CB 3.24Å; A301-S304 WeakPolarHBondContact O-CB 3.31Å; A301-S304 PolarHBondContact O-N 2.83Å; A301-D305 VanDerWaalsContact O-CG 3.28Å; A301-D305 PolarHBondContact O-N 2.83Å
302K68.7Low65.3Low114 Ų11457 Ų5750%0.49630%0.303SS..Hα-helixtrans-58.2-38.2176-75171171.9161.90112.7E298 Y299 D305 I306E298-K302 PolarHBondContact O-N 2.77Å; E298-K302 IonicContact OE1-NZ 3.58Å; E298-K302 PolarHBondContact OE1-NZ 2.8Å; Y299-K302 PolarHBondContact O-N 3.21Å; K302-D305 PolarHBondContact O-N 2.78Å; K302-I306 WeakPolarHBondContact O-CD1 3.39Å; K302-I306 VanDerWaalsContact O-CG1 3.29Å; K302-I306 WeakPolarHBondContact O-CG1 3.41Å; K302-I306 PolarHBondContact O-N 2.72Å; K302-I306 VanDerWaalsContact O-N 3.16Å
303T62.5Low66Low15 Ų1559.4 Ų59.49%0.09232%0.316CS..Hα-helixtrans-67.9-41.1176.4-55.40000111.2Y299 T300 A301 I306 V307 L412Y299-T303 WeakPolarHBondContact CE1-OG1 3.17Å; Y299-T303 WeakPolarHBondContact O-CB 3.41Å; Y299-T303 PolarHBondContact O-N 3.43Å; Y299-T303 PolarHBondContact O-OG1 2.86Å; Y299-T303 PolarHBondContact OH-OG1 2.83Å; Y299-T303 VanDerWaalsContact OH-OG1 3.06Å; T300-T303 PolarHBondContact O-N 3.46Å; A301-T303 VanDerWaalsContact C-N 3.26Å; A301-T303 PolarHBondContact O-N 2.91Å; T303-I306 PolarHBondContact O-N 2.97Å; T303-V307 HydrophobicContact CG2-CG2 4.41Å; T303-V307 WeakPolarHBondContact O-CB 3.48Å; T303-V307 WeakPolarHBondContact O-CG2 3.35Å; T303-V307 PolarHBondContact O-N 2.88Å; T303-L412 HydrophobicContact CG2-CD2 3.62Å
304S65.9Low66.1Low13 Ų1363.4 Ų63.49%0.09133%0.331CS..Hα-helixtrans-56.7-48.2173.3-177.20000111.5T300 A301 I306 V307 E308 C415T300-S304 WeakPolarHBondContact O-CB 3.31Å; T300-S304 PolarHBondContact O-N 3.02Å; A301-S304 WeakPolarHBondContact O-CA 3.21Å; A301-S304 VanDerWaalsContact O-CB 3.24Å; A301-S304 WeakPolarHBondContact O-CB 3.31Å; A301-S304 PolarHBondContact O-N 2.83Å; S304-I306 VanDerWaalsContact C-N 3.33Å; S304-I306 PolarHBondContact O-N 2.83Å; S304-V307 WeakPolarHBondContact O-CB 3.41Å; S304-V307 PolarHBondContact O-N 2.87Å; S304-V307 VanDerWaalsContact O-N 3.16Å; S304-E308 WeakPolarHBondContact O-CG 3.3Å; S304-E308 PolarHBondContact O-N 2.76Å; S304-C415 PolarHBondContact OG-SG 3.37Å
305D72.7Confident66.2Low99 Ų9958.9 Ų58.953%0.52931%0.314SS..Hα-helixtrans-61.8-40.3-179.4-60.2-18.2000112A301 K302 E308 G309A301-D305 VanDerWaalsContact O-CG 3.28Å; A301-D305 PolarHBondContact O-N 2.83Å; K302-D305 PolarHBondContact O-N 2.78Å; D305-E308 PolarHBondContact O-N 2.89Å; D305-G309 PolarHBondContact O-N 2.91Å
306I68.5Low66.5Low86 Ų8661.4 Ų61.444%0.44133%0.332SS..Hα-helixtrans-66.2-42.1176-67.5165.4000111.1K302 T303 S304 E308 K310K302-I306 WeakPolarHBondContact O-CD1 3.39Å; K302-I306 VanDerWaalsContact O-CG1 3.29Å; K302-I306 WeakPolarHBondContact O-CG1 3.41Å; K302-I306 PolarHBondContact O-N 2.72Å; K302-I306 VanDerWaalsContact O-N 3.16Å; T303-I306 PolarHBondContact O-N 2.97Å; S304-I306 VanDerWaalsContact C-N 3.33Å; S304-I306 PolarHBondContact O-N 2.83Å; I306-E308 VanDerWaalsContact C-N 3.33Å; I306-K310 WeakPolarHBondContact O-CB 3.46Å; I306-K310 PolarHBondContact O-N 2.85Å
307V65.6Low66.8Low9 Ų970 Ų706%0.05536%0.363CS..Hα-helixtrans-62.7-44.4177.5170.60000109.8T303 S304 L311 L367T303-V307 HydrophobicContact CG2-CG2 4.41Å; T303-V307 WeakPolarHBondContact O-CB 3.48Å; T303-V307 WeakPolarHBondContact O-CG2 3.35Å; T303-V307 PolarHBondContact O-N 2.88Å; S304-V307 WeakPolarHBondContact O-CB 3.41Å; S304-V307 PolarHBondContact O-N 2.87Å; S304-V307 VanDerWaalsContact O-N 3.16Å; V307-L311 WeakPolarHBondContact O-CB 3.14Å; V307-L311 PolarHBondContact O-N 2.95Å; V307-L367 HydrophobicContact CG1-CD1 3.82Å; V307-L367 HydrophobicContact CG1-CD2 4.5Å; V307-L367 HydrophobicContact CG2-CD1 4.07Å; V307-L367 HydrophobicContact CG2-CD2 4.12Å; V307-L367 HydrophobicContact CG2-CG 4.47Å
308E68.3Low66.9Low85 Ų8565.3 Ų65.340%0.39735%0.346SS..Hα-helixtrans-62.5-49.7176.2-74.5-175.6-177.200111.9S304 D305 I306 K310 L311 S312S304-E308 WeakPolarHBondContact O-CG 3.3Å; S304-E308 PolarHBondContact O-N 2.76Å; D305-E308 PolarHBondContact O-N 2.89Å; I306-E308 VanDerWaalsContact C-N 3.33Å; E308-K310 PolarHBondContact O-N 3.07Å; E308-L311 PolarHBondContact O-N 2.76Å; E308-S312 PolarHBondContact O-N 2.89Å; E308-S312 PolarHBondContact O-OG 3.28Å
309G70.5Confident67Low32 Ų3266 Ų6633%0.3336%0.357SS..Hα-helixtrans-63.3-40.9-179.100000114.1D305 S312 D313D305-G309 PolarHBondContact O-N 2.91Å; G309-S312 VanDerWaalsContact C-OG 3.31Å; G309-S312 WeakPolarHBondContact CA-OG 3.2Å; G309-S312 PolarHBondContact O-OG 2.94Å; G309-D313 PolarHBondContact O-N 3.49Å
310K67Low67Low87 Ų8767.3 Ų67.338%0.37837%0.374SS..Hα-helixtrans-73-30.7176.1-78-160.1172.6-169.40113I306 E308 F314 H370I306-K310 WeakPolarHBondContact O-CB 3.46Å; I306-K310 PolarHBondContact O-N 2.85Å; E308-K310 PolarHBondContact O-N 3.07Å; K310-F314 PolarHBondContact O-N 2.93Å; K310-F314 VanDerWaalsContact O-N 3.09Å; K310-H370 PolarHBondContact NZ-CD2 3.4Å; K310-H370 VanDerWaalsContact NZ-CD2 3.32Å; K310-H370 PolarHBondContact NZ-CE1 2.82Å; K310-H370 VanDerWaalsContact NZ-CG 3.33Å; K310-H370 PolarHBondContact NZ-ND1 3.35Å; K310-H370 PolarHBondContact NZ-NE2 3.34Å; K310-H370 VanDerWaalsContact NZ-NE2 3.19Å
311L61.7Low66.8Low12 Ų1269.8 Ų69.86%0.06339%0.392CS..Hα-helixtrans-79.9-26.8177.3-134.781.2000112.5V307 E308 D313 F314 S315 L363 N419 V423V307-L311 WeakPolarHBondContact O-CB 3.14Å; V307-L311 PolarHBondContact O-N 2.95Å; E308-L311 PolarHBondContact O-N 2.76Å; L311-D313 VanDerWaalsContact C-N 3.34Å; L311-F314 HydrophobicContact CD1-CB 4.42Å; L311-F314 HydrophobicContact CG-CB 4.44Å; L311-F314 PolarHBondContact O-N 2.95Å; L311-S315 WeakPolarHBondContact O-CB 3.37Å; L311-S315 PolarHBondContact O-N 3.41Å; L311-S315 PolarHBondContact O-OG 3Å; L311-L363 HydrophobicContact CD1-CD1 3.79Å; L311-L363 HydrophobicContact CD1-CD2 3.95Å; L311-L363 HydrophobicContact CD1-CG 4.29Å; L311-L363 HydrophobicContact CD2-CD2 4.09Å; L311-N419 HydrophobicContact CB-CB 4.33Å; L311-N419 HydrophobicContact CD2-CB 3.33Å; L311-N419 WeakPolarHBondContact CD2-O 3.17Å; L311-N419 HydrophobicContact CG-CB 4.39Å; L311-V423 HydrophobicContact CD2-CG2 3.7Å; L311-V423 HydrophobicContact CG-CG2 4.28Å
312S67.6Low66.4Low61 Ų6175 Ų7543%0.42741%0.413SS..Hα-helixtrans-61-45.1165.948.40000110.9E308 G309 F314 S315 A316E308-S312 PolarHBondContact O-N 2.89Å; E308-S312 PolarHBondContact O-OG 3.28Å; G309-S312 VanDerWaalsContact C-OG 3.31Å; G309-S312 WeakPolarHBondContact CA-OG 3.2Å; G309-S312 PolarHBondContact O-OG 2.94Å; S312-F314 PolarHBondContact O-N 3.25Å; S312-S315 WeakPolarHBondContact CA-OG 3.43Å; S312-S315 PolarHBondContact O-N 3.47Å; S312-S315 PolarHBondContact O-OG 2.79Å; S312-A316 PolarHBondContact O-N 3.36Å
313D71.2Confident65.9Low88 Ų8876.5 Ų76.547%0.47142%0.421SS..Hα-helixtrans-63-30175.4-67.3-10.4000113.4G309 L311 R317G309-D313 PolarHBondContact O-N 3.49Å; L311-D313 VanDerWaalsContact C-N 3.34Å; D313-R317 PolarHBondContact O-NE 3.48Å
314F64.9Low66Low100 Ų10080.2 Ų80.244%0.43945%0.446SS..Hα-helixtrans-76.6-45.6175-175.1-101000111K310 L311 S312 A316 R317 V318 V423K310-F314 PolarHBondContact O-N 2.93Å; K310-F314 VanDerWaalsContact O-N 3.09Å; L311-F314 HydrophobicContact CD1-CB 4.42Å; L311-F314 HydrophobicContact CG-CB 4.44Å; L311-F314 PolarHBondContact O-N 2.95Å; S312-F314 PolarHBondContact O-N 3.25Å; F314-A316 PolarHBondContact O-N 3.04Å; F314-R317 WeakPolarHBondContact O-CA 3.3Å; F314-R317 PolarHBondContact O-N 2.83Å; F314-V318 HydrophobicContact CD1-CG2 4.07Å; F314-V318 HydrophobicContact CE1-CG2 3.79Å; F314-V318 HydrophobicContact CZ-CG2 4.32Å; F314-V318 WeakPolarHBondContact O-CG2 3.22Å; F314-V318 PolarHBondContact O-N 3.05Å; F314-V423 HydrophobicContact CD1-CG2 4.17Å; F314-V423 HydrophobicContact CE1-CG1 4.28Å; F314-V423 HydrophobicContact CE1-CG2 4.49Å
315S62.3Low66Low36 Ų3682.7 Ų82.725%0.25246%0.46SS..Hα-helixtrans-59.8-34.9177.869.40000112.3L311 S312 R317 V318L311-S315 WeakPolarHBondContact O-CB 3.37Å; L311-S315 PolarHBondContact O-N 3.41Å; L311-S315 PolarHBondContact O-OG 3Å; S312-S315 WeakPolarHBondContact CA-OG 3.43Å; S312-S315 PolarHBondContact O-N 3.47Å; S312-S315 PolarHBondContact O-OG 2.79Å; S315-R317 PolarHBondContact O-N 3.09Å; S315-V318 PolarHBondContact O-N 3.49Å
316A69.4Low65.5Low86 Ų8685.6 Ų85.671%0.71147%0.474SS*.THydrogen-bonded Turntrans-66.6-17.9173.900000113.9S312 F314S312-A316 PolarHBondContact O-N 3.36Å; F314-A316 PolarHBondContact O-N 3.04Å
317R68.6Low65.3Low194 Ų19482.8 Ų82.873%0.73246%0.459SS*.THydrogen-bonded Turntrans-101.8-3.9178.9-71.1-176.6-111.9-151-7.8113.7D313 F314 S315D313-R317 PolarHBondContact O-NE 3.48Å; F314-R317 WeakPolarHBondContact O-CA 3.3Å; F314-R317 PolarHBondContact O-N 2.83Å; S315-R317 PolarHBondContact O-N 3.09Å
318V65.4Low65.5Low28 Ų2886.6 Ų86.617%0.1748%0.48CS..PPolyproline II helixtrans-82.6117.5178.4173.80000108.6F314 S315 K427F314-V318 HydrophobicContact CD1-CG2 4.07Å; F314-V318 HydrophobicContact CE1-CG2 3.79Å; F314-V318 HydrophobicContact CZ-CG2 4.32Å; F314-V318 WeakPolarHBondContact O-CG2 3.22Å; F314-V318 PolarHBondContact O-N 3.05Å; S315-V318 PolarHBondContact O-N 3.49Å; V318-K427 HydrophobicContact CG1-CB 3.86Å; V318-K427 HydrophobicContact CG1-CD 4.19Å; V318-K427 HydrophobicContact CG1-CG 4.07Å
319T65.5Low65.5Low117 Ų11787.2 Ų87.272%0.71849%0.489SS*.PPolyproline II helixtrans-69127.2171.639.10000110.1
320P64.7Low65Low99 Ų9995.4 Ų95.464%0.64351%0.51SS*.PPolyproline II helixtrans-60.2144.3174.3-17.929.2000110.8
321S60.3Low64.9Low57 Ų5794.3 Ų94.340%0.39951%0.511SS..PPolyproline II helixtrans-64.7138.3166.3171.20000110.3H323 K427S321-H323 PolarHBondContact O-N 3.14Å; S321-H323 VanDerWaalsContact O-N 3.09Å; S321-H323 PolarHBondContact OG-N 3.44Å; S321-H323 PolarHBondContact OG-O 2.97Å; S321-K427 WeakPolarHBondContact CB-O 3.44Å; S321-K427 PolarHBondContact N-O 3.46Å
322D62Low65Low156 Ų15696.1 Ų96.183%0.83452%0.519SS*.SBendtrans-56.6-27178.5-68.3-33.6000112.9
323H59.8Low64.7Low147 Ų14796 Ų9668%0.68152%0.516SS*.SBendtrans-131.6134.3176.6-58.8-38.5000111.8S321S321-H323 PolarHBondContact O-N 3.14Å; S321-H323 VanDerWaalsContact O-N 3.09Å; S321-H323 PolarHBondContact OG-N 3.44Å; S321-H323 PolarHBondContact OG-O 2.97Å
324P63.3Low64.3Low93 Ų9393 Ų9360%0.60451%0.505SS*.  trans-64.2136.3173.126.9-32.8000109.9I326P324-I326 PolarHBondContact O-N 2.84Å; P324-I326 VanDerWaalsContact O-N 3.11Å
325V65.7Low64.1Low65 Ų6588.3 Ų88.339%0.39449%0.485SS..  trans-72.9111.1-178.3-179.30000109I327 Y428V325-I327 HydrophobicContact CG1-CG1 4.18Å; V325-I327 PolarHBondContact O-N 3.39Å; V325-Y428 HydrophobicContact CG2-CD1 3.65Å; V325-Y428 HydrophobicContact CG2-CG 4.29Å; V325-Y428 PolarHBondContact N-O 3.26Å
326I63.7Low64Low159 Ų15990.9 Ų90.982%0.81549%0.493SS*.  trans-76.1104.9173.2-56175.3000107.7P324P324-I326 PolarHBondContact O-N 2.84Å; P324-I326 VanDerWaalsContact O-N 3.11Å
327I63.9Low63.3Low27 Ų2793.3 Ų93.314%0.13849%0.487CS..  trans-86.3134.7174.9-66.8160.7000108.3V325 T329 V331 Q332 S431 A432 L435V325-I327 HydrophobicContact CG1-CG1 4.18Å; V325-I327 PolarHBondContact O-N 3.39Å; I327-T329 PolarHBondContact O-N 3.5Å; I327-V331 HydrophobicContact CG2-CB 4.11Å; I327-V331 HydrophobicContact CG2-CG1 4.28Å; I327-Q332 HydrophobicContact CB-CG 4.36Å; I327-Q332 HydrophobicContact CG2-CG 3.92Å; I327-S431 VanDerWaalsContact CD1-O 3.3Å; I327-S431 WeakPolarHBondContact CD1-O 3.39Å; I327-A432 VanDerWaalsContact CD1-CA 3.42Å; I327-A432 HydrophobicContact CD1-CB 3.93Å; I327-L435 HydrophobicContact CD1-CB 4.15Å; I327-L435 HydrophobicContact CD1-CD2 3.8Å; I327-L435 HydrophobicContact CG2-CD2 4.21Å
328D70.2Confident62.8Low90 Ų9085.9 Ų85.948%0.48146%0.462SS..  trans-50.8125.1175.9-174.2-29.8000110.6R330 V331 Q332D328-R330 PolarHBondContact O-N 2.74Å; D328-R330 VanDerWaalsContact OD1-CB 3.23Å; D328-R330 WeakPolarHBondContact OD1-CB 3.46Å; D328-R330 VanDerWaalsContact OD1-CG 3.3Å; D328-R330 WeakPolarHBondContact OD1-CG 3.34Å; D328-R330 PolarHBondContact OD1-N 2.98Å; D328-V331 HydrophobicContact CB-CG2 4.18Å; D328-V331 WeakPolarHBondContact O-CB 3.44Å; D328-V331 PolarHBondContact O-N 3.25Å; D328-Q332 PolarHBondContact O-N 2.93Å
329T67.3Low62.5Low98 Ų9889.3 Ų89.360%0.60147%0.472SS*.Hα-helixtrans-52.3-30178.9-49.10000111.9I327 T333I327-T329 PolarHBondContact O-N 3.5Å; T329-T333 WeakPolarHBondContact O-CB 3.29Å; T329-T333 PolarHBondContact O-N 3.39Å; T329-T333 PolarHBondContact O-OG1 2.94Å
330R60.8Low62Low204 Ų20493.5 Ų93.577%0.7748%0.475SS*.Hα-helixtrans-64.8-38.3176-63.3173.6178.2-174.11.4112.3D328 G334D328-R330 PolarHBondContact O-N 2.74Å; D328-R330 VanDerWaalsContact OD1-CB 3.23Å; D328-R330 WeakPolarHBondContact OD1-CB 3.46Å; D328-R330 VanDerWaalsContact OD1-CG 3.3Å; D328-R330 WeakPolarHBondContact OD1-CG 3.34Å; D328-R330 PolarHBondContact OD1-N 2.98Å; R330-G334 PolarHBondContact O-N 3.44Å
331V64.5Low61.1Low64 Ų6492 Ų9239%0.38848%0.478SS..Hα-helixtrans-71.7-46.3178.4179.80000110.1I327 D328 T333 G334 V335 L435I327-V331 HydrophobicContact CG2-CB 4.11Å; I327-V331 HydrophobicContact CG2-CG1 4.28Å; D328-V331 HydrophobicContact CB-CG2 4.18Å; D328-V331 WeakPolarHBondContact O-CB 3.44Å; D328-V331 PolarHBondContact O-N 3.25Å; V331-T333 PolarHBondContact O-N 3.35Å; V331-G334 PolarHBondContact O-N 2.99Å; V331-V335 HydrophobicContact CG1-CG2 4.45Å; V331-V335 WeakPolarHBondContact O-CB 3.42Å; V331-V335 WeakPolarHBondContact O-CG2 3.2Å; V331-V335 PolarHBondContact O-N 3.3Å; V331-L435 HydrophobicContact CG1-CD1 4.12Å; V331-L435 HydrophobicContact CG1-CD2 4.45Å
332Q63.9Low60.1Low49 Ų4991.2 Ų91.223%0.22948%0.478CS..Hα-helixtrans-61-44175.1-77.2-175.4-1600112.1I327 D328 H336 S431I327-Q332 HydrophobicContact CB-CG 4.36Å; I327-Q332 HydrophobicContact CG2-CG 3.92Å; D328-Q332 PolarHBondContact O-N 2.93Å; Q332-H336 WeakPolarHBondContact O-CB 3.42Å; Q332-H336 PolarHBondContact O-N 3.02Å; Q332-S431 VanDerWaalsContact NE2-CA 3.34Å; Q332-S431 PolarHBondContact NE2-O 3.48Å; Q332-S431 PolarHBondContact NE2-OG 3.18Å
333T61.5Low59.1Low59 Ų5994 Ų9436%0.36248%0.483SS..Hα-helixtrans-65.9-46.3-179.7-59.10000111T329 V331 V335 H336 F337T329-T333 WeakPolarHBondContact O-CB 3.29Å; T329-T333 PolarHBondContact O-N 3.39Å; T329-T333 PolarHBondContact O-OG1 2.94Å; V331-T333 PolarHBondContact O-N 3.35Å; T333-V335 PolarHBondContact O-N 3.2Å; T333-H336 PolarHBondContact O-N 3.07Å; T333-F337 HydrophobicContact CG2-CD2 3.5Å; T333-F337 HydrophobicContact CG2-CE2 3.35Å; T333-F337 WeakPolarHBondContact O-CD2 3.5Å; T333-F337 PolarHBondContact O-N 2.8Å
334G62.8Low57.8Low24 Ų2491.2 Ų91.225%0.24748%0.476CS..Hα-helixtrans-60.3-44.3177.900000113R330 V331 L338R330-G334 PolarHBondContact O-N 3.44Å; V331-G334 PolarHBondContact O-N 2.99Å; G334-L338 WeakPolarHBondContact O-CD1 3.39Å; G334-L338 PolarHBondContact O-N 2.91Å
335V60.2Low56.5Low3 Ų391.5 Ų91.52%0.01849%0.486CS..Hα-helixtrans-70.1-38.2178.8174.70000111.7V331 T333 L338 R339 I348 L435 N438 L442V331-V335 HydrophobicContact CG1-CG2 4.45Å; V331-V335 WeakPolarHBondContact O-CB 3.42Å; V331-V335 WeakPolarHBondContact O-CG2 3.2Å; V331-V335 PolarHBondContact O-N 3.3Å; T333-V335 PolarHBondContact O-N 3.2Å; V335-L338 WeakPolarHBondContact O-CB 3.46Å; V335-L338 PolarHBondContact O-N 3.06Å; V335-R339 PolarHBondContact O-N 3.31Å; V335-I348 HydrophobicContact CB-CD1 4.35Å; V335-I348 HydrophobicContact CG1-CD1 4.45Å; V335-I348 HydrophobicContact CG2-CD1 3.58Å; V335-I348 HydrophobicContact CG2-CG1 3.77Å; V335-L435 HydrophobicContact CB-CD1 4.16Å; V335-L435 HydrophobicContact CG1-CD1 4.1Å; V335-L435 HydrophobicContact CG2-CD1 3.7Å; V335-N438 HydrophobicContact CG1-CB 3.17Å; V335-L442 HydrophobicContact CG1-CD1 4.34Å
336H59.9Low55.1Low90 Ų9096.7 Ų96.742%0.41750%0.5SS..Hα-helixtrans-67.8-38.3176.2178.8-93.7000112.7Q332 T333 L338 R339 R340Q332-H336 WeakPolarHBondContact O-CB 3.42Å; Q332-H336 PolarHBondContact O-N 3.02Å; T333-H336 PolarHBondContact O-N 3.07Å; H336-L338 VanDerWaalsContact C-N 3.32Å; H336-L338 PolarHBondContact O-N 2.78Å; H336-R339 PolarHBondContact O-N 2.82Å; H336-R340 PolarHBondContact O-N 2.94Å
337F56Low53.7Low136 Ų13699.2 Ų99.260%0.59651%0.505SS*.Hα-helixtrans-66.1-33.7173.8-86.1-68.4000112.6T333 R340T333-F337 HydrophobicContact CG2-CD2 3.5Å; T333-F337 HydrophobicContact CG2-CE2 3.35Å; T333-F337 WeakPolarHBondContact O-CD2 3.5Å; T333-F337 PolarHBondContact O-N 2.8Å; F337-R340 PolarHBondContact O-N 2.88Å
338L58Low52.9Low39 Ų39100 Ų10020%0.20451%0.509CS..Hα-helixtrans-63.8-37.2173.7-84158.6000112.4G334 V335 H336 R340 V344 I348 L442G334-L338 WeakPolarHBondContact O-CD1 3.39Å; G334-L338 PolarHBondContact O-N 2.91Å; V335-L338 WeakPolarHBondContact O-CB 3.46Å; V335-L338 PolarHBondContact O-N 3.06Å; H336-L338 VanDerWaalsContact C-N 3.32Å; H336-L338 PolarHBondContact O-N 2.78Å; L338-R340 VanDerWaalsContact C-N 3.32Å; L338-R340 PolarHBondContact O-N 2.87Å; L338-V344 WeakPolarHBondContact CD2-O 3.44Å; L338-I348 HydrophobicContact CD1-CD1 3.43Å; L338-I348 VanDerWaalsContact CD1-CD1 3.43Å; L338-I348 HydrophobicContact CD1-CG1 3.91Å; L338-L442 HydrophobicContact CB-CD1 4.31Å; L338-L442 HydrophobicContact CB-CD2 4.19Å
339R58.9Low51.7Low100 Ų10098.9 Ų98.938%0.37751%0.508SS..Hα-helixtrans-65-30.6174.6179.4171.3-178.4149.30.9113.8V335 H336 D437 N438 Y441V335-R339 PolarHBondContact O-N 3.31Å; H336-R339 PolarHBondContact O-N 2.82Å; R339-D437 IonicContact CZ-OD2 2.83Å; R339-D437 IonicContact NH1-OD2 2.76Å; R339-D437 PolarHBondContact NH1-OD2 2.91Å; R339-D437 IonicContact NH2-OD2 2.76Å; R339-N438 WeakPolarHBondContact CD-OD1 3.4Å; R339-N438 PolarHBondContact NH1-OD1 2.89Å; R339-Y441 HydrophobicContact CG-CD1 4.28Å; R339-Y441 HydrophobicContact CG-CE1 4.2Å
340R53.7Low50.7Low205 Ų20596.8 Ų96.877%0.77451%0.506SS*.THydrogen-bonded Turntrans-881.6-171.8-148.2168.4-179.2129.8-5.2114.5H336 F337 L338H336-R340 PolarHBondContact O-N 2.94Å; F337-R340 PolarHBondContact O-N 2.88Å; L338-R340 VanDerWaalsContact C-N 3.32Å; L338-R340 PolarHBondContact O-N 2.87Å
341G46.4Very low50.1Low68 Ų6894.4 Ų94.470%0.70150%0.498SS*.THydrogen-bonded Turntrans102.223.4169.200000116.6
342G40Very low49.5Very low40 Ų4094.1 Ų94.141%0.41249%0.494SS..  trans-80.9127.3171.900000112.4V344G342-V344 PolarHBondContact O-N 3Å
343K40Very low48.9Very low215 Ų21594.1 Ų94.194%0.93550%0.497SS*.  trans-66.931.9168.9-71.4-175.4175.71790113.5
344V32.2Very low48.6Very low87 Ų8796.7 Ų96.753%0.52751%0.505SS..  trans-112.293.8-176.1-173.40000108.4L338 G342 Y346L338-V344 WeakPolarHBondContact CD2-O 3.44Å; G342-V344 PolarHBondContact O-N 3Å; V344-Y346 HydrophobicContact CG1-CD2 3.68Å; V344-Y346 HydrophobicContact CG1-CE2 3.47Å; V344-Y346 VanDerWaalsContact CG1-CE2 3.47Å; V344-Y346 PolarHBondContact O-N 2.99Å
345A36.3Very low48.2Very low99 Ų9999.4 Ų99.482%0.81851%0.51SS*.  trans-72.288.5174.100000110.1
346Y36.5Very low48Very low174 Ų174100.9 Ų100.968%0.68252%0.519SS*.  trans-77.9135.6158.3-81.2-79.4000108.6V344 I348V344-Y346 HydrophobicContact CG1-CD2 3.68Å; V344-Y346 HydrophobicContact CG1-CE2 3.47Å; V344-Y346 VanDerWaalsContact CG1-CE2 3.47Å; V344-Y346 PolarHBondContact O-N 2.99Å; Y346-I348 VanDerWaalsContact C-N 3.26Å; Y346-I348 PolarHBondContact O-N 3.15Å
347K35.3Very low47.8Very low212 Ų21298 Ų9892%0.92251%0.513SS*.  trans-62.485.7172.3-78.8-178.4174.9-179.40109.5S349K347-S349 PolarHBondContact O-N 3.19Å
348I45.5Very low48Very low44 Ų4495 Ų9523%0.22650%0.501CS..  trans-57.3127.8149.2-59.2167.4000104.5V335 L338 Y346 G350 L352 V353 L442V335-I348 HydrophobicContact CB-CD1 4.35Å; V335-I348 HydrophobicContact CG1-CD1 4.45Å; V335-I348 HydrophobicContact CG2-CD1 3.58Å; V335-I348 HydrophobicContact CG2-CG1 3.77Å; L338-I348 HydrophobicContact CD1-CD1 3.43Å; L338-I348 VanDerWaalsContact CD1-CD1 3.43Å; L338-I348 HydrophobicContact CD1-CG1 3.91Å; Y346-I348 VanDerWaalsContact C-N 3.26Å; Y346-I348 PolarHBondContact O-N 3.15Å; I348-G350 PolarHBondContact O-N 2.74Å; I348-G350 VanDerWaalsContact O-N 3.09Å; I348-L352 HydrophobicContact CG2-CD2 4.45Å; I348-V353 HydrophobicContact CG2-CG2 4.18Å; I348-L442 HydrophobicContact CD1-CD1 3.5Å; I348-L442 VanDerWaalsContact CD1-CD1 3.5Å
349S46.2Very low48Very low66 Ų6696.1 Ų96.146%0.46252%0.516SS..  trans-56.3124.9-175.180.80000108.6K347 Y351 L352K347-S349 PolarHBondContact O-N 3.19Å; S349-Y351 PolarHBondContact O-N 2.71Å; S349-L352 PolarHBondContact O-N 3.15Å; S349-L352 PolarHBondContact OG-N 2.61Å
350G45.8Very low48Very low54 Ų5492.3 Ų92.356%0.55751%0.506SS*.Hα-helixtrans-52.5-30.1176.600000111.3I348 L352 V353 E354I348-G350 PolarHBondContact O-N 2.74Å; I348-G350 VanDerWaalsContact O-N 3.09Å; G350-L352 PolarHBondContact O-N 3.4Å; G350-V353 PolarHBondContact O-N 2.98Å; G350-E354 WeakPolarHBondContact O-CB 3.48Å; G350-E354 PolarHBondContact O-N 3.11Å
351Y48.1Very low48.4Very low155 Ų15589.6 Ų89.661%0.60850%0.496SS*.Hα-helixtrans-54.9-45.2172.2-173.9-96.3000114.3S349 E354 K355S349-Y351 PolarHBondContact O-N 2.71Å; Y351-E354 PolarHBondContact O-N 3.04Å; Y351-K355 HydrophobicContact CD1-CG 4.23Å; Y351-K355 HydrophobicContact CE1-CG 3.88Å; Y351-K355 HydrophobicContact CE2-CG 4.26Å; Y351-K355 WeakPolarHBondContact O-CB 3.44Å; Y351-K355 VanDerWaalsContact O-CG 3.26Å; Y351-K355 WeakPolarHBondContact O-CG 3.25Å; Y351-K355 PolarHBondContact O-N 2.71Å
352L51.3Low49.1Very low57 Ų5793.5 Ų93.530%0.29849%0.49SS..Hα-helixtrans-67.9-43.3-179.2-175.868.7000111.2I348 S349 G350 E354 K355 V356 L435I348-L352 HydrophobicContact CG2-CD2 4.45Å; S349-L352 PolarHBondContact O-N 3.15Å; S349-L352 PolarHBondContact OG-N 2.61Å; G350-L352 PolarHBondContact O-N 3.4Å; L352-E354 VanDerWaalsContact C-N 3.33Å; L352-K355 PolarHBondContact O-N 3.14Å; L352-V356 WeakPolarHBondContact O-CB 3.41Å; L352-V356 VanDerWaalsContact O-CG2 3.28Å; L352-V356 WeakPolarHBondContact O-CG2 3.3Å; L352-V356 PolarHBondContact O-N 3.31Å; L352-V356 VanDerWaalsContact O-N 3.09Å; L352-L435 HydrophobicContact CD2-CD1 4.37Å; L352-L435 HydrophobicContact CD2-CD2 3.95Å; L352-L435 HydrophobicContact CD2-CG 4.3Å
353V52.8Low50Low50 Ų5093.1 Ų93.130%0.30348%0.479SS..Hα-helixtrans-64.1-40.5176.9176.90000110.8I348 G350 G357I348-V353 HydrophobicContact CG2-CG2 4.18Å; G350-V353 PolarHBondContact O-N 2.98Å; V353-G357 PolarHBondContact O-N 3.47Å
354E53.5Low51Low112 Ų11284.2 Ų84.252%0.52345%0.448SS..Hα-helixtrans-63.5-48.5177.2-175.8177.9-172.800112G350 Y351 L352 G357 E358G350-E354 WeakPolarHBondContact O-CB 3.48Å; G350-E354 PolarHBondContact O-N 3.11Å; Y351-E354 PolarHBondContact O-N 3.04Å; L352-E354 VanDerWaalsContact C-N 3.33Å; E354-G357 CarbonylContact O-C 3.53Å; E354-G357 WeakPolarHBondContact O-CA 3.25Å; E354-G357 PolarHBondContact O-N 3.34Å; E354-G357 VanDerWaalsContact O-N 3.16Å; E354-E358 WeakPolarHBondContact O-CG 3.3Å; E354-E358 PolarHBondContact O-N 3.45Å
355K56.4Low52.5Low82 Ų8287 Ų8736%0.35745%0.453SS..Hα-helixtrans-65.5-40.2-179.8-69.4-70.9153.5-152.50112.8Y351 L352 G357 E358 A359Y351-K355 HydrophobicContact CD1-CG 4.23Å; Y351-K355 HydrophobicContact CE1-CG 3.88Å; Y351-K355 HydrophobicContact CE2-CG 4.26Å; Y351-K355 WeakPolarHBondContact O-CB 3.44Å; Y351-K355 VanDerWaalsContact O-CG 3.26Å; Y351-K355 WeakPolarHBondContact O-CG 3.25Å; Y351-K355 PolarHBondContact O-N 2.71Å; L352-K355 PolarHBondContact O-N 3.14Å; K355-G357 VanDerWaalsContact C-N 3.33Å; K355-E358 WeakPolarHBondContact CD-OE2 3.35Å; K355-E358 IonicContact NZ-OE1 2.99Å; K355-E358 IonicContact NZ-OE2 2.66Å; K355-E358 PolarHBondContact NZ-OE2 3.47Å; K355-E358 PolarHBondContact O-N 2.8Å; K355-A359 PolarHBondContact O-N 2.84Å; K355-A359 VanDerWaalsContact O-N 3.13Å
356V55.5Low53.6Low34 Ų3488.1 Ų88.121%0.20644%0.439CS..Hα-helixtrans-65.1-39.6173.2173.30000110.6L352 A359 A360 F440L352-V356 WeakPolarHBondContact O-CB 3.41Å; L352-V356 VanDerWaalsContact O-CG2 3.28Å; L352-V356 WeakPolarHBondContact O-CG2 3.3Å; L352-V356 PolarHBondContact O-N 3.31Å; L352-V356 VanDerWaalsContact O-N 3.09Å; V356-A359 PolarHBondContact O-N 2.63Å; V356-A360 PolarHBondContact O-N 2.93Å; V356-A360 VanDerWaalsContact O-N 3.07Å; V356-F440 HydrophobicContact CG1-CD1 4.04Å; V356-F440 HydrophobicContact CG1-CE1 3.41Å; V356-F440 VanDerWaalsContact CG1-CE1 3.41Å; V356-F440 HydrophobicContact CG1-CE2 3.97Å; V356-F440 HydrophobicContact CG1-CZ 3.37Å
357G55.3Low54.5Low28 Ų2881.1 Ų81.129%0.28941%0.414SS..Hα-helixtrans-64.2-37.7174.300000114V353 E354 K355 R361V353-G357 PolarHBondContact O-N 3.47Å; E354-G357 CarbonylContact O-C 3.53Å; E354-G357 WeakPolarHBondContact O-CA 3.25Å; E354-G357 PolarHBondContact O-N 3.34Å; E354-G357 VanDerWaalsContact O-N 3.16Å; K355-G357 VanDerWaalsContact C-N 3.33Å; G357-R361 WeakPolarHBondContact O-CB 3.39Å; G357-R361 PolarHBondContact O-N 3.49Å
358E60.7Low55.5Low75 Ų7573.5 Ų73.535%0.3539%0.391SS..Hα-helixtrans-63.7-46.6173.9-76.4179.1160.800112.3E354 K355 A360 R361 Y362E354-E358 WeakPolarHBondContact O-CG 3.3Å; E354-E358 PolarHBondContact O-N 3.45Å; K355-E358 WeakPolarHBondContact CD-OE2 3.35Å; K355-E358 IonicContact NZ-OE1 2.99Å; K355-E358 IonicContact NZ-OE2 2.66Å; K355-E358 PolarHBondContact NZ-OE2 3.47Å; K355-E358 PolarHBondContact O-N 2.8Å; E358-A360 VanDerWaalsContact C-N 3.35Å; E358-A360 PolarHBondContact O-N 3.47Å; E358-R361 PolarHBondContact O-N 3.35Å; E358-Y362 WeakPolarHBondContact O-CB 3.33Å; E358-Y362 PolarHBondContact O-N 3.29Å
359A57.4Low56.2Low62 Ų6278.6 Ų78.651%0.51241%0.413SS..Hα-helixtrans-60.8-44.4177.400000111.6K355 V356 R361 Y362 L363K355-A359 PolarHBondContact O-N 2.84Å; K355-A359 VanDerWaalsContact O-N 3.13Å; V356-A359 PolarHBondContact O-N 2.63Å; A359-R361 PolarHBondContact O-N 3.2Å; A359-Y362 PolarHBondContact O-N 2.87Å; A359-L363 WeakPolarHBondContact O-CB 3.23Å; A359-L363 PolarHBondContact O-N 2.93Å
360A59.5Low56.5Low20 Ų2080.3 Ų80.317%0.16541%0.413CS..Hα-helixtrans-63.7-39.8175.800000112.4V356 E358 L363 G364 F440V356-A360 PolarHBondContact O-N 2.93Å; V356-A360 VanDerWaalsContact O-N 3.07Å; E358-A360 VanDerWaalsContact C-N 3.35Å; E358-A360 PolarHBondContact O-N 3.47Å; A360-L363 PolarHBondContact O-N 3.45Å; A360-G364 PolarHBondContact O-N 3.06Å; A360-F440 HydrophobicContact CB-CE1 3.96Å
361R60.7Low56.8Low147 Ų14779 Ų7956%0.55540%0.397SS*.Hα-helixtrans-65.7-41.2176.7-166.5-174.9-56.2108.81.8111.9G357 E358 A359 G364 K365G357-R361 WeakPolarHBondContact O-CB 3.39Å; G357-R361 PolarHBondContact O-N 3.49Å; E358-R361 PolarHBondContact O-N 3.35Å; A359-R361 PolarHBondContact O-N 3.2Å; R361-G364 PolarHBondContact O-N 3.26Å; R361-K365 WeakPolarHBondContact O-CB 3.11Å; R361-K365 WeakPolarHBondContact O-CG 3.16Å; R361-K365 PolarHBondContact O-N 3.42Å
362Y62.9Low57Low150 Ų15075.8 Ų75.859%0.58839%0.394SS*.Hα-helixtrans-61.6-47.5174.8175.4-96.3000111.3E358 A359 K365 K366E358-Y362 WeakPolarHBondContact O-CB 3.33Å; E358-Y362 PolarHBondContact O-N 3.29Å; A359-Y362 PolarHBondContact O-N 2.87Å; Y362-K365 PolarHBondContact O-N 3.43Å; Y362-K366 HydrophobicContact CE1-CD 4.43Å; Y362-K366 PolarHBondContact O-N 3.37Å; Y362-K366 VanDerWaalsContact O-N 3.07Å
363L58Low57.3Low33 Ų3381.5 Ų81.517%0.17342%0.416CS..Hα-helixtrans-61.7-45.8176.8-161.876.2000111.3L311 A359 A360 K365 K366 L367L311-L363 HydrophobicContact CD1-CD1 3.79Å; L311-L363 HydrophobicContact CD1-CD2 3.95Å; L311-L363 HydrophobicContact CD1-CG 4.29Å; L311-L363 HydrophobicContact CD2-CD2 4.09Å; A359-L363 WeakPolarHBondContact O-CB 3.23Å; A359-L363 PolarHBondContact O-N 2.93Å; A360-L363 PolarHBondContact O-N 3.45Å; L363-K365 PolarHBondContact O-N 3.19Å; L363-K366 PolarHBondContact O-N 2.93Å; L363-L367 HydrophobicContact CD2-CD1 4.33Å; L363-L367 HydrophobicContact CG-CD1 4Å; L363-L367 WeakPolarHBondContact O-CB 3.37Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.15Å; L363-L367 PolarHBondContact O-N 3.04Å
364G61.4Low57.2Low28 Ų2889.7 Ų89.729%0.28944%0.442SS..Hα-helixtrans-58.8-44.3176.500000113A360 R361 L367 A368A360-G364 PolarHBondContact O-N 3.06Å; R361-G364 PolarHBondContact O-N 3.26Å; G364-L367 PolarHBondContact O-N 2.95Å; G364-A368 VanDerWaalsContact O-CB 3.28Å; G364-A368 WeakPolarHBondContact O-CB 3.49Å; G364-A368 PolarHBondContact O-N 2.84Å
365K63.6Low56.7Low146 Ų14688 Ų8864%0.63544%0.435SS*.Hα-helixtrans-61.4-44.1175.2-78.6-177.8177-1740112.2R361 Y362 L363 L367 A368 H369R361-K365 WeakPolarHBondContact O-CB 3.11Å; R361-K365 WeakPolarHBondContact O-CG 3.16Å; R361-K365 PolarHBondContact O-N 3.42Å; Y362-K365 PolarHBondContact O-N 3.43Å; L363-K365 PolarHBondContact O-N 3.19Å; K365-L367 VanDerWaalsContact C-N 3.34Å; K365-L367 PolarHBondContact O-N 2.68Å; K365-A368 PolarHBondContact O-N 3.4Å; K365-H369 PolarHBondContact O-N 2.9Å; K365-H369 VanDerWaalsContact O-N 3.08Å
366K58.4Low56.4Low121 Ų12193.4 Ų93.453%0.52646%0.458SS..Hα-helixtrans-66.9-36-179.7-159.7175-174.9176.70112.1Y362 L363Y362-K366 HydrophobicContact CE1-CD 4.43Å; Y362-K366 PolarHBondContact O-N 3.37Å; Y362-K366 VanDerWaalsContact O-N 3.07Å; L363-K366 PolarHBondContact O-N 2.93Å
367L56.6Low55.7Low27 Ų2797.9 Ų97.914%0.14149%0.488CS..Hα-helixtrans-72.2-42.8175-69.1167.4000111.8V307 L363 G364 K365 H369 H370 A371 V416V307-L367 HydrophobicContact CG1-CD1 3.82Å; V307-L367 HydrophobicContact CG1-CD2 4.5Å; V307-L367 HydrophobicContact CG2-CD1 4.07Å; V307-L367 HydrophobicContact CG2-CD2 4.12Å; V307-L367 HydrophobicContact CG2-CG 4.47Å; L363-L367 HydrophobicContact CD2-CD1 4.33Å; L363-L367 HydrophobicContact CG-CD1 4Å; L363-L367 WeakPolarHBondContact O-CB 3.37Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.15Å; L363-L367 PolarHBondContact O-N 3.04Å; G364-L367 PolarHBondContact O-N 2.95Å; K365-L367 VanDerWaalsContact C-N 3.34Å; K365-L367 PolarHBondContact O-N 2.68Å; L367-H369 VanDerWaalsContact C-N 3.33Å; L367-H369 PolarHBondContact O-N 2.86Å; L367-H370 PolarHBondContact O-N 3.29Å; L367-H370 VanDerWaalsContact O-N 3.1Å; L367-A371 PolarHBondContact O-N 3.08Å; L367-V416 HydrophobicContact CD1-CG2 4.46Å
368A55.9Low55.2Low53 Ų5397.7 Ų97.744%0.43849%0.486SS..Hα-helixtrans-58.2-44.1176.600000111.8G364 K365 H370 A371 T372G364-A368 VanDerWaalsContact O-CB 3.28Å; G364-A368 WeakPolarHBondContact O-CB 3.49Å; G364-A368 PolarHBondContact O-N 2.84Å; K365-A368 PolarHBondContact O-N 3.4Å; A368-H370 PolarHBondContact O-N 2.94Å; A368-A371 PolarHBondContact O-N 3.05Å; A368-T372 WeakPolarHBondContact O-CG2 3.21Å; A368-T372 PolarHBondContact O-N 3.17Å; A368-T372 PolarHBondContact O-OG1 3.22Å
369H59.6Low54.5Low151 Ų151102.6 Ų102.670%0.69951%0.509SS*.Hα-helixtrans-61.4-27.6177.1-122.964.1000113.9K365 L367 T372K365-H369 PolarHBondContact O-N 2.9Å; K365-H369 VanDerWaalsContact O-N 3.08Å; L367-H369 VanDerWaalsContact C-N 3.33Å; L367-H369 PolarHBondContact O-N 2.86Å; H369-T372 PolarHBondContact O-OG1 2.86Å; H369-T372 VanDerWaalsContact O-OG1 3.06Å
370H53.2Low53.7Low101 Ų101104 Ų10447%0.46851%0.507SS..Hα-helixtrans-87.3-32.6177.1-108.1-59.3000112.9K310 L367 A368K310-H370 PolarHBondContact NZ-CD2 3.4Å; K310-H370 VanDerWaalsContact NZ-CD2 3.32Å; K310-H370 PolarHBondContact NZ-CE1 2.82Å; K310-H370 VanDerWaalsContact NZ-CG 3.33Å; K310-H370 PolarHBondContact NZ-ND1 3.35Å; K310-H370 PolarHBondContact NZ-NE2 3.34Å; K310-H370 VanDerWaalsContact NZ-NE2 3.19Å; L367-H370 PolarHBondContact O-N 3.29Å; L367-H370 VanDerWaalsContact O-N 3.1Å; A368-H370 PolarHBondContact O-N 2.94Å
371A52.8Low53Low27 Ų27105.7 Ų105.722%0.22352%0.518CS..Hα-helixtrans-65.1-44.6173.100000110.8L367 A368 K373 R374 M375L367-A371 PolarHBondContact O-N 3.08Å; A368-A371 PolarHBondContact O-N 3.05Å; A371-K373 VanDerWaalsContact C-N 3.26Å; A371-K373 PolarHBondContact O-N 3.32Å; A371-R374 PolarHBondContact O-N 3.27Å; A371-M375 WeakPolarHBondContact O-CG 3.26Å; A371-M375 PolarHBondContact O-N 3.23Å
372T51.6Low52.2Low87 Ų87103.8 Ų103.853%0.53452%0.519SS..Hα-helixtrans-62.8-29.7178.6530000113.3A368 H369 R374A368-T372 WeakPolarHBondContact O-CG2 3.21Å; A368-T372 PolarHBondContact O-N 3.17Å; A368-T372 PolarHBondContact O-OG1 3.22Å; H369-T372 PolarHBondContact O-OG1 2.86Å; H369-T372 VanDerWaalsContact O-OG1 3.06Å; T372-R374 PolarHBondContact O-N 2.63Å
373K56.6Low51.3Low177 Ų17797.5 Ų97.577%0.7750%0.498SS*.THydrogen-bonded Turntrans-75.1-18.6-179.3-158.5173.2-176.2176.60114.4A371A371-K373 VanDerWaalsContact C-N 3.26Å; A371-K373 PolarHBondContact O-N 3.32Å
374R50.6Low50.6Low222 Ų222100 Ų10084%0.83851%0.514SS*.THydrogen-bonded Turntrans-106.7-7.5176.3-84-160.9172.6178.7-0.8113.7A371 T372A371-R374 PolarHBondContact O-N 3.27Å; T372-R374 PolarHBondContact O-N 2.63Å
375M43.1Very low49.7Very low77 Ų77103.9 Ų103.938%0.37953%0.525SS..SBendtrans-75.5128.4169.7-74.4-176.2-178.500109.8Y299 A371 P377Y299-M375 HydrophobicContact CE1-CE 3.75Å; Y299-M375 HydrophobicContact CE2-CE 3.73Å; Y299-M375 HydrophobicContact CE2-CG 4.29Å; Y299-M375 WeakPolarHBondContact OH-CE 3.28Å; A371-M375 WeakPolarHBondContact O-CG 3.26Å; A371-M375 PolarHBondContact O-N 3.23Å; M375-P377 VanDerWaalsContact O-CD 3.3Å; M375-P377 WeakPolarHBondContact O-CD 3.47Å
376K50Low48.6Very low195 Ų19599.1 Ų99.185%0.84851%0.51SS*.  trans-73.1114.2160-71.1-174.8178.6-178.20107.7G378K376-G378 PolarHBondContact O-N 2.83Å
377P40.8Very low47.8Very low128 Ų12894 Ų9483%0.83149%0.489SS*.THydrogen-bonded Turntrans-69.8113.5176.829.1-30000107.6M375M375-P377 VanDerWaalsContact O-CD 3.3Å; M375-P377 WeakPolarHBondContact O-CD 3.47Å
378G44.6Very low46.9Very low24 Ų2495.6 Ų95.625%0.24751%0.506CS..THydrogen-bonded Turntrans163.9-43.8175.900000114.3K376 N382K376-G378 PolarHBondContact O-N 2.83Å; G378-N382 VanDerWaalsContact O-CB 3.32Å; G378-N382 WeakPolarHBondContact O-CB 3.13Å; G378-N382 VanDerWaalsContact O-CG 3.24Å; G378-N382 PolarHBondContact O-N 3.18Å
379H47.3Very low46.1Very low179 Ų179100.1 Ų100.183%0.82952%0.518SS*.Hα-helixtrans-77-33.5-176.9-105.7-75.5000113.8A383H379-A383 WeakPolarHBondContact O-CB 3.47Å
380L39.4Very low45.1Very low90 Ų9094.6 Ų94.647%0.47150%0.495SS..Hα-helixtrans-85.6-34.6176.2-117.2102.6000112.4A383 V384L380-A383 PolarHBondContact O-N 3.33Å; L380-V384 WeakPolarHBondContact O-CB 3.25Å; L380-V384 VanDerWaalsContact O-CG2 3.22Å; L380-V384 WeakPolarHBondContact O-CG2 3.48Å; L380-V384 PolarHBondContact O-N 3.39Å
381S46.7Very low44.3Very low56 Ų5693.9 Ų93.939%0.39250%0.498SS..Hα-helixtrans-69.3-47.2-179.865.50000111A383 V384 Q385S381-A383 PolarHBondContact O-N 3.36Å; S381-V384 PolarHBondContact O-N 3.28Å; S381-Q385 WeakPolarHBondContact O-CB 3.36Å; S381-Q385 PolarHBondContact O-N 3.26Å
382N43.4Very low43.4Very low107 Ų10796.8 Ų96.857%0.57251%0.513SS*.Hα-helixtrans-64.8-29.8178.5-67.3-0.2000111.7G378 S386G378-N382 VanDerWaalsContact O-CB 3.32Å; G378-N382 WeakPolarHBondContact O-CB 3.13Å; G378-N382 VanDerWaalsContact O-CG 3.24Å; G378-N382 PolarHBondContact O-N 3.18Å; N382-S386 WeakPolarHBondContact O-CB 3.36Å; N382-S386 PolarHBondContact O-N 2.99Å; N382-S386 PolarHBondContact O-OG 3.35Å
383A42.9Very low42.7Very low19 Ų1994.7 Ų94.716%0.15751%0.509CS..Hα-helixtrans-72.9-44.4174.500000112.2L292 H379 L380 S381 Q385 S386 V387L292-A383 HydrophobicContact CD1-CB 3.66Å; L292-A383 HydrophobicContact CD2-CB 4.24Å; H379-A383 WeakPolarHBondContact O-CB 3.47Å; L380-A383 PolarHBondContact O-N 3.33Å; S381-A383 PolarHBondContact O-N 3.36Å; A383-Q385 VanDerWaalsContact C-N 3.29Å; A383-Q385 PolarHBondContact O-N 2.78Å; A383-S386 WeakPolarHBondContact CA-OG 3.49Å; A383-S386 PolarHBondContact O-N 3.14Å; A383-S386 PolarHBondContact O-OG 3.48Å; A383-S386 VanDerWaalsContact O-OG 3.08Å; A383-V387 WeakPolarHBondContact O-CG2 3.27Å; A383-V387 PolarHBondContact O-N 3.04Å
384V44.8Very low42.1Very low85 Ų8586.7 Ų86.752%0.51548%0.476SS..Hα-helixtrans-65-36.1174.31700000111.2L380 S381 V387 A388L380-V384 WeakPolarHBondContact O-CB 3.25Å; L380-V384 VanDerWaalsContact O-CG2 3.22Å; L380-V384 WeakPolarHBondContact O-CG2 3.48Å; L380-V384 PolarHBondContact O-N 3.39Å; S381-V384 PolarHBondContact O-N 3.28Å; V384-V387 WeakPolarHBondContact O-CB 3.5Å; V384-V387 PolarHBondContact O-N 3.28Å; V384-A388 WeakPolarHBondContact O-CB 3.44Å; V384-A388 PolarHBondContact O-N 2.68Å
385Q42.3Very low41.9Very low109 Ų10982.2 Ų82.251%0.50947%0.468SS..Hα-helixtrans-73.3-37.3179.6-158156.41.700111.5S381 A383 A388 E389S381-Q385 WeakPolarHBondContact O-CB 3.36Å; S381-Q385 PolarHBondContact O-N 3.26Å; A383-Q385 VanDerWaalsContact C-N 3.29Å; A383-Q385 PolarHBondContact O-N 2.78Å; Q385-A388 WeakPolarHBondContact O-CB 3.33Å; Q385-A388 PolarHBondContact O-N 3.46Å; Q385-E389 WeakPolarHBondContact O-CG 3.45Å; Q385-E389 PolarHBondContact O-N 3.35Å
386S40Very low42.1Very low46 Ų4681.1 Ų81.132%0.32247%0.466SS..Hα-helixtrans-73.4-24.217048.70000113.8N382 A383 V390N382-S386 WeakPolarHBondContact O-CB 3.36Å; N382-S386 PolarHBondContact O-N 2.99Å; N382-S386 PolarHBondContact O-OG 3.35Å; A383-S386 WeakPolarHBondContact CA-OG 3.49Å; A383-S386 PolarHBondContact O-N 3.14Å; A383-S386 PolarHBondContact O-OG 3.48Å; A383-S386 VanDerWaalsContact O-OG 3.08Å; S386-V390 WeakPolarHBondContact O-CG2 3.37Å; S386-V390 PolarHBondContact O-N 3.34Å
387V41.9Very low42.2Very low14 Ų1471.9 Ų71.99%0.08543%0.426CS..Hα-helixtrans-68-43.9165.6179.70000109.8F284 L292 A383 V384 V390 T391F284-V387 HydrophobicContact CE2-CG2 4.29Å; F284-V387 HydrophobicContact CZ-CB 4.19Å; F284-V387 HydrophobicContact CZ-CG1 4.48Å; F284-V387 HydrophobicContact CZ-CG2 3.56Å; L292-V387 HydrophobicContact CD2-CG2 4.15Å; A383-V387 WeakPolarHBondContact O-CG2 3.27Å; A383-V387 PolarHBondContact O-N 3.04Å; V384-V387 WeakPolarHBondContact O-CB 3.5Å; V384-V387 PolarHBondContact O-N 3.28Å; V387-V390 PolarHBondContact O-N 3.12Å; V387-T391 PolarHBondContact O-N 3Å; V387-T391 PolarHBondContact O-OG1 2.83Å
388A37.4Very low42.8Very low61 Ų6170 Ų7050%0.50441%0.405SS..Hα-helixtrans-64.3-37.7178.600000112.8V384 Q385 V390 T391V384-A388 WeakPolarHBondContact O-CB 3.44Å; V384-A388 PolarHBondContact O-N 2.68Å; Q385-A388 WeakPolarHBondContact O-CB 3.33Å; Q385-A388 PolarHBondContact O-N 3.46Å; A388-V390 VanDerWaalsContact C-N 3.32Å; A388-V390 PolarHBondContact O-N 3Å; A388-T391 VanDerWaalsContact C-OG1 3.29Å; A388-T391 WeakPolarHBondContact CA-OG1 2.85Å; A388-T391 WeakPolarHBondContact O-CB 3.25Å; A388-T391 PolarHBondContact O-N 3.06Å; A388-T391 PolarHBondContact O-OG1 3.36Å
389E39.8Very low43.3Very low147 Ų14769 Ų6969%0.68739%0.394SS*.Hα-helixtrans-71.1-25176.2-76.2170.5-179.500113.3Q385 T391Q385-E389 WeakPolarHBondContact O-CG 3.45Å; Q385-E389 PolarHBondContact O-N 3.35Å; E389-T391 VanDerWaalsContact C-N 3.29Å
390V38.8Very low43.9Very low35 Ų3561.3 Ų61.321%0.21236%0.36CS..THydrogen-bonded Turntrans-90.75.9178.21780000111.8I281 F284 S386 V387 A388 T392 G393 G394I281-V390 HydrophobicContact CG1-CG1 4.11Å; F284-V390 HydrophobicContact CD1-CG1 4.38Å; S386-V390 WeakPolarHBondContact O-CG2 3.37Å; S386-V390 PolarHBondContact O-N 3.34Å; V387-V390 PolarHBondContact O-N 3.12Å; A388-V390 VanDerWaalsContact C-N 3.32Å; A388-V390 PolarHBondContact O-N 3Å; V390-T392 PolarHBondContact O-N 3.22Å; V390-T392 VanDerWaalsContact O-N 3.14Å; V390-G393 PolarHBondContact O-N 3.23Å; V390-G394 PolarHBondContact O-N 2.88Å
391T35.8Very low44.9Very low87 Ų8757.6 Ų57.653%0.53434%0.341SS..THydrogen-bonded Turntrans-71.2-9.2-168.8-61.90000114.3V387 A388 E389V387-T391 PolarHBondContact O-N 3Å; V387-T391 PolarHBondContact O-OG1 2.83Å; A388-T391 VanDerWaalsContact C-OG1 3.29Å; A388-T391 WeakPolarHBondContact CA-OG1 2.85Å; A388-T391 WeakPolarHBondContact O-CB 3.25Å; A388-T391 PolarHBondContact O-N 3.06Å; A388-T391 PolarHBondContact O-OG1 3.36Å; E389-T391 VanDerWaalsContact C-N 3.29Å
392T33.7Very low45.6Very low87 Ų8758.6 Ų58.653%0.53434%0.336SS..THydrogen-bonded Turntrans-85.3-6.3175.846.30000115.1M266 V390M266-T392 HydrophobicContact CB-CG2 4.24Å; V390-T392 PolarHBondContact O-N 3.22Å; V390-T392 VanDerWaalsContact O-N 3.14Å
393G36.3Very low46.6Very low43 Ų4355.5 Ų55.544%0.44332%0.319SS..THydrogen-bonded Turntrans-149.1-0.4-178.500000117.2V390V390-G393 PolarHBondContact O-N 3.23Å
394G45Very low47.7Very low9 Ų955 Ų559%0.09332%0.315CS..  trans-112.943.2-167.500000116.1V390 V396 G397 F398V390-G394 PolarHBondContact O-N 2.88Å; G394-V396 PolarHBondContact O-N 3.42Å; G394-G397 PolarHBondContact O-N 3.2Å; G394-F398 PolarHBondContact O-N 2.89Å
395L46.2Very low48.8Very low128 Ų12855.2 Ų55.267%0.6731%0.312SS*.Hα-helixtrans-47.1-35.2-175.6-124.2147.4000113.8S399L395-S399 WeakPolarHBondContact O-CB 3.41Å; L395-S399 PolarHBondContact O-N 2.89Å
396V47.4Very low50Low55 Ų5551.7 Ų51.733%0.33330%0.296SS..Hα-helixtrans-74.5-31.1-179.9176.50000112.9L285 G394 S399 T400 A465 V469L285-V396 HydrophobicContact CD2-CB 3.35Å; L285-V396 HydrophobicContact CD2-CG1 3.48Å; L285-V396 VanDerWaalsContact CD2-CG1 3.48Å; G394-V396 PolarHBondContact O-N 3.42Å; V396-S399 PolarHBondContact O-OG 3.35Å; V396-T400 PolarHBondContact O-N 3.31Å; V396-T400 PolarHBondContact O-OG1 2.98Å; V396-A465 HydrophobicContact CG1-CB 4.31Å; V396-A465 HydrophobicContact CG2-CB 4.32Å; V396-V469 HydrophobicContact CG1-CG2 3.64Å
397G51.3Low51.4Low0 Ų053.6 Ų53.60%030%0.3CS..Hα-helixtrans-82-37.1-177.700000113.1G394 S399 T400 V401G394-G397 PolarHBondContact O-N 3.2Å; G397-S399 PolarHBondContact O-N 3.46Å; G397-T400 PolarHBondContact O-OG1 2.82Å; G397-T400 VanDerWaalsContact O-OG1 3.05Å; G397-V401 WeakPolarHBondContact O-CG2 3.28Å; G397-V401 PolarHBondContact O-N 3.38Å
398F52.8Low52.7Low88 Ų8853.5 Ų53.539%0.38630%0.301SS..Hα-helixtrans-59-40169179-102000110.9G394 V401 W402 V458G394-F398 PolarHBondContact O-N 2.89Å; F398-V401 PolarHBondContact O-N 3.27Å; F398-W402 HydrophobicContact CE1-CE3 4.36Å; F398-W402 AromaticContact CZ-CE3 3.97Å; F398-W402 HydrophobicContact CZ-CE3 3.97Å; F398-W402 HydrophobicContact CZ-CZ3 4.43Å; F398-W402 VanDerWaalsContact O-CB 3.3Å; F398-W402 WeakPolarHBondContact O-CB 3.06Å; F398-W402 PolarHBondContact O-N 3.48Å; F398-V458 HydrophobicContact CE1-CG1 4.02Å
399S55.7Low54.1Low5 Ų553.6 Ų53.64%0.03530%0.301CS..Hα-helixtrans-66.7-39.1-176.390.60000114.6L395 V396 G397 L403 A465L395-S399 WeakPolarHBondContact O-CB 3.41Å; L395-S399 PolarHBondContact O-N 2.89Å; V396-S399 PolarHBondContact O-OG 3.35Å; G397-S399 PolarHBondContact O-N 3.46Å; S399-L403 WeakPolarHBondContact O-CG 3.48Å; S399-L403 PolarHBondContact O-N 3.06Å; S399-A465 WeakPolarHBondContact OG-CB 3.26Å
400T59.4Low55.7Low16 Ų1649.6 Ų49.610%0.09828%0.281CS..Hα-helixtrans-73-38.5178.7440000111.4S289 V396 G397 S404S289-T400 PolarHBondContact OG-OG1 2.93Å; V396-T400 PolarHBondContact O-N 3.31Å; V396-T400 PolarHBondContact O-OG1 2.98Å; G397-T400 PolarHBondContact O-OG1 2.82Å; G397-T400 VanDerWaalsContact O-OG1 3.05Å; T400-S404 WeakPolarHBondContact O-CB 3.39Å; T400-S404 PolarHBondContact O-N 3.39Å; T400-S404 PolarHBondContact O-OG 3.46Å
401V61.8Low57.2Low13 Ų1350.4 Ų50.48%0.07929%0.286CS..Hα-helixtrans-65-45.5173.3177.30000110.5L292 I296 G397 F398 L403 S404 L405L292-V401 HydrophobicContact CD2-CG1 4.41Å; L292-V401 HydrophobicContact CD2-CG2 3.93Å; I296-V401 HydrophobicContact CD1-CG1 4.29Å; G397-V401 WeakPolarHBondContact O-CG2 3.28Å; G397-V401 PolarHBondContact O-N 3.38Å; F398-V401 PolarHBondContact O-N 3.27Å; V401-L403 PolarHBondContact O-N 3.49Å; V401-S404 WeakPolarHBondContact CA-OG 3.45Å; V401-S404 PolarHBondContact O-N 2.76Å; V401-S404 VanDerWaalsContact O-N 3.15Å; V401-S404 PolarHBondContact O-OG 3.16Å; V401-L405 HydrophobicContact CG1-CD1 3.88Å; V401-L405 HydrophobicContact CG1-CG 4.5Å; V401-L405 WeakPolarHBondContact O-CG 3.16Å; V401-L405 PolarHBondContact O-N 3.06Å
402W61.3Low58.8Low77 Ų7748.8 Ų48.829%0.29227%0.274SS..Hα-helixtrans-57.1-49.7175.8-176.7-87.3000112.4F398 S404 L405 E406 V458F398-W402 HydrophobicContact CE1-CE3 4.36Å; F398-W402 AromaticContact CZ-CE3 3.97Å; F398-W402 HydrophobicContact CZ-CE3 3.97Å; F398-W402 HydrophobicContact CZ-CZ3 4.43Å; F398-W402 VanDerWaalsContact O-CB 3.3Å; F398-W402 WeakPolarHBondContact O-CB 3.06Å; F398-W402 PolarHBondContact O-N 3.48Å; W402-S404 VanDerWaalsContact C-N 3.29Å; W402-S404 PolarHBondContact O-N 2.93Å; W402-L405 PolarHBondContact O-N 3.09Å; W402-E406 PolarHBondContact O-N 3.08Å; W402-V458 HydrophobicContact CD2-CG1 4.3Å; W402-V458 HydrophobicContact CG-CG1 4.29Å
403L64.2Low60.6Low42 Ų4246.5 Ų46.522%0.2227%0.268CS..Hα-helixtrans-61.7-37.5176.3-78.1170.7000112.4S399 V401 E406 E407 A462 A466S399-L403 WeakPolarHBondContact O-CG 3.48Å; S399-L403 PolarHBondContact O-N 3.06Å; V401-L403 PolarHBondContact O-N 3.49Å; L403-E406 PolarHBondContact O-N 3.13Å; L403-E407 WeakPolarHBondContact O-CB 3.46Å; L403-E407 PolarHBondContact O-N 3.15Å; L403-A462 HydrophobicContact CD1-CB 3.94Å; L403-A462 WeakPolarHBondContact CD1-O 3.47Å; L403-A462 HydrophobicContact CD2-CB 4.39Å; L403-A462 HydrophobicContact CG-CB 3.84Å; L403-A466 HydrophobicContact CD1-CB 3.37Å
404S65.6Low62.5Low8 Ų850.6 Ų50.66%0.05627%0.274CS..Hα-helixtrans-68.3-35.5176.775.50000112.7I296 T400 V401 W402 A408I296-S404 VanDerWaalsContact CD1-OG 3.26Å; I296-S404 WeakPolarHBondContact CD1-OG 3.29Å; T400-S404 WeakPolarHBondContact O-CB 3.39Å; T400-S404 PolarHBondContact O-N 3.39Å; T400-S404 PolarHBondContact O-OG 3.46Å; V401-S404 WeakPolarHBondContact CA-OG 3.45Å; V401-S404 PolarHBondContact O-N 2.76Å; V401-S404 VanDerWaalsContact O-N 3.15Å; V401-S404 PolarHBondContact O-OG 3.16Å; W402-S404 VanDerWaalsContact C-N 3.29Å; W402-S404 PolarHBondContact O-N 2.93Å; S404-A408 VanDerWaalsContact O-CB 3.28Å; S404-A408 WeakPolarHBondContact O-CB 3.48Å; S404-A408 PolarHBondContact O-N 2.94Å
405L68.5Low63.8Low89 Ų8950.8 Ų50.847%0.46627%0.273SS..Hα-helixtrans-69.4-42.5172.8-78.2162.5000111.8I296 V401 W402 E407 A408 A409I296-L405 HydrophobicContact CD1-CG 4.38Å; V401-L405 HydrophobicContact CG1-CD1 3.88Å; V401-L405 HydrophobicContact CG1-CG 4.5Å; V401-L405 WeakPolarHBondContact O-CG 3.16Å; V401-L405 PolarHBondContact O-N 3.06Å; W402-L405 PolarHBondContact O-N 3.09Å; L405-E407 VanDerWaalsContact C-N 3.3Å; L405-E407 PolarHBondContact O-N 3.25Å; L405-A408 PolarHBondContact O-N 3.24Å; L405-A409 WeakPolarHBondContact O-CB 3.23Å; L405-A409 PolarHBondContact O-N 2.83Å
406E67.3Low65Low35 Ų3545.9 Ų45.916%0.16425%0.249CC..Hα-helixtrans-60-43175.1-168.1-168.2151.400110.4W402 L403 A409 K410 K459W402-E406 PolarHBondContact O-N 3.08Å; L403-E406 PolarHBondContact O-N 3.13Å; E406-A409 PolarHBondContact O-N 3.17Å; E406-K410 VanDerWaalsContact O-CG 3.31Å; E406-K410 WeakPolarHBondContact O-CG 3.28Å; E406-K410 PolarHBondContact O-N 3.3Å; E406-K410 WeakPolarHBondContact OE1-CE 3.48Å; E406-K410 IonicContact OE1-NZ 3.7Å; E406-K410 PolarHBondContact OE1-NZ 3.11Å; E406-K459 WeakPolarHBondContact OE1-CE 3.31Å; E406-K459 IonicContact OE1-NZ 2.68Å; E406-K459 PolarHBondContact OE1-NZ 3.16Å; E406-K459 IonicContact OE2-NZ 3.79Å
407E68.6Low66.3Low87 Ų8744 Ų4441%0.40724%0.239SC..Hα-helixtrans-71.1-37.2178.5-162.359.1-15500112.6L403 L405 K410 T411L403-E407 WeakPolarHBondContact O-CB 3.46Å; L403-E407 PolarHBondContact O-N 3.15Å; L405-E407 VanDerWaalsContact C-N 3.3Å; L405-E407 PolarHBondContact O-N 3.25Å; E407-K410 PolarHBondContact O-N 2.86Å; E407-K410 IonicContact OE2-NZ 3.85Å; E407-T411 WeakPolarHBondContact O-CB 3.31Å; E407-T411 PolarHBondContact O-N 3.41Å; E407-T411 PolarHBondContact O-OG1 3.42Å
408A69.1Low67.6Low12 Ų1248 Ų4810%0.09926%0.26CS..Hα-helixtrans-60.6-46.5171.800000111.8I296 T300 S404 L405 K410 T411 L412I296-A408 HydrophobicContact CG2-CB 3.77Å; T300-A408 HydrophobicContact CG2-CB 4.15Å; T300-A408 WeakPolarHBondContact OG1-CB 3.29Å; S404-A408 VanDerWaalsContact O-CB 3.28Å; S404-A408 WeakPolarHBondContact O-CB 3.48Å; S404-A408 PolarHBondContact O-N 2.94Å; L405-A408 PolarHBondContact O-N 3.24Å; A408-K410 PolarHBondContact O-N 3.47Å; A408-T411 PolarHBondContact O-N 2.84Å; A408-L412 WeakPolarHBondContact O-CG 3.43Å; A408-L412 PolarHBondContact O-N 2.79Å
409A68.1Low68.6Low62 Ų6244 Ų4451%0.51224%0.243SC..Hα-helixtrans-62.8-42177.600000112L405 E406 G413L405-A409 WeakPolarHBondContact O-CB 3.23Å; L405-A409 PolarHBondContact O-N 2.83Å; E406-A409 PolarHBondContact O-N 3.17Å; A409-G413 PolarHBondContact O-N 2.84Å
410K71.9Confident69.4Low64 Ų6444.5 Ų44.528%0.27825%0.246SC..Hα-helixtrans-61.6-43.2174-75169.3-170.5155.70112.2E406 E407 A408 G413 K414E406-K410 VanDerWaalsContact O-CG 3.31Å; E406-K410 WeakPolarHBondContact O-CG 3.28Å; E406-K410 PolarHBondContact O-N 3.3Å; E406-K410 WeakPolarHBondContact OE1-CE 3.48Å; E406-K410 IonicContact OE1-NZ 3.7Å; E406-K410 PolarHBondContact OE1-NZ 3.11Å; E407-K410 PolarHBondContact O-N 2.86Å; E407-K410 IonicContact OE2-NZ 3.85Å; A408-K410 PolarHBondContact O-N 3.47Å; K410-G413 PolarHBondContact O-N 3.16Å; K410-K414 WeakPolarHBondContact O-CG 3.37Å; K410-K414 PolarHBondContact O-N 2.84Å
411T71.5Confident70.4Confident51 Ų5144.6 Ų44.631%0.31325%0.247SC..Hα-helixtrans-65-48.5-179.7-55.30000110.5T300 E407 A408 G413 K414 C415T300-T411 HydrophobicContact CG2-CG2 3.92Å; E407-T411 WeakPolarHBondContact O-CB 3.31Å; E407-T411 PolarHBondContact O-N 3.41Å; E407-T411 PolarHBondContact O-OG1 3.42Å; A408-T411 PolarHBondContact O-N 2.84Å; T411-G413 PolarHBondContact O-N 3.01Å; T411-K414 PolarHBondContact O-N 2.85Å; T411-C415 PolarHBondContact O-N 3.01Å; T411-C415 PolarHBondContact O-SG 3.27Å
412L69.3Low71.2Confident53 Ų5349.1 Ų49.128%0.27727%0.265SS..Hα-helixtrans-59.9-43.9174.4-74166.3000112.2T300 T303 A408 K414 C415 V416T300-L412 HydrophobicContact CG2-CG 4.09Å; T303-L412 HydrophobicContact CG2-CD2 3.62Å; A408-L412 WeakPolarHBondContact O-CG 3.43Å; A408-L412 PolarHBondContact O-N 2.79Å; L412-K414 VanDerWaalsContact C-N 3.34Å; L412-K414 PolarHBondContact O-N 3.3Å; L412-C415 PolarHBondContact O-N 3.46Å; L412-V416 WeakPolarHBondContact O-CG2 3.49Å; L412-V416 PolarHBondContact O-N 2.94Å
413G71.9Confident71.7Confident39 Ų3946.9 Ų46.940%0.40226%0.26SS..Hα-helixtrans-59.5-42.4176.900000112.5A409 K410 T411 A417A409-G413 PolarHBondContact O-N 2.84Å; K410-G413 PolarHBondContact O-N 3.16Å; T411-G413 PolarHBondContact O-N 3.01Å; G413-A417 WeakPolarHBondContact O-CB 3.47Å; G413-A417 PolarHBondContact O-N 2.76Å
414K76.1Confident72.3Confident130 Ų13046.5 Ų46.557%0.56526%0.259SS*.Hα-helixtrans-63.5-44173.5-75.5174.3-179.2174.80112.2K410 T411 L412 A417 N418K410-K414 WeakPolarHBondContact O-CG 3.37Å; K410-K414 PolarHBondContact O-N 2.84Å; T411-K414 PolarHBondContact O-N 2.85Å; L412-K414 VanDerWaalsContact C-N 3.34Å; L412-K414 PolarHBondContact O-N 3.3Å; K414-A417 PolarHBondContact O-N 2.87Å; K414-N418 WeakPolarHBondContact O-CB 3.19Å; K414-N418 PolarHBondContact O-N 2.82Å
415C72.6Confident73Confident12 Ų1249.4 Ų49.48%0.08127%0.272CS..Hα-helixtrans-64.4-42178.4-640000111.9S304 T411 L412 N419S304-C415 PolarHBondContact OG-SG 3.37Å; T411-C415 PolarHBondContact O-N 3.01Å; T411-C415 PolarHBondContact O-SG 3.27Å; L412-C415 PolarHBondContact O-N 3.46Å; C415-N419 VanDerWaalsContact O-CB 3.27Å; C415-N419 WeakPolarHBondContact O-CB 3.48Å; C415-N419 VanDerWaalsContact O-CG 3.25Å; C415-N419 PolarHBondContact O-N 3.35Å; C415-N419 PolarHBondContact O-ND2 2.96Å
416V70Confident73.3Confident26 Ų2648.1 Ų48.116%0.15827%0.27CS..Hα-helixtrans-62.4-44174.2172.10000111.1L367 L412 S420L367-V416 HydrophobicContact CD1-CG2 4.46Å; L412-V416 WeakPolarHBondContact O-CG2 3.49Å; L412-V416 PolarHBondContact O-N 2.94Å; V416-S420 WeakPolarHBondContact O-CB 3.46Å; V416-S420 PolarHBondContact O-N 2.84Å; V416-S420 PolarHBondContact O-OG 3.42Å
417A75Confident73.7Confident16 Ų1650.5 Ų50.513%0.13228%0.28CS..Hα-helixtrans-62.8-53.8177.100000112G413 K414 N419 S420 V421 F440G413-A417 WeakPolarHBondContact O-CB 3.47Å; G413-A417 PolarHBondContact O-N 2.76Å; K414-A417 PolarHBondContact O-N 2.87Å; A417-N419 VanDerWaalsContact C-N 3.29Å; A417-N419 PolarHBondContact O-N 2.85Å; A417-S420 WeakPolarHBondContact O-CB 3.19Å; A417-S420 PolarHBondContact O-N 2.75Å; A417-S420 VanDerWaalsContact O-N 3.09Å; A417-V421 WeakPolarHBondContact O-CG2 3.26Å; A417-V421 PolarHBondContact O-N 3.24Å; A417-F440 HydrophobicContact CB-CB 3.85Å; A417-F440 HydrophobicContact CB-CD1 4.12Å; A417-F440 HydrophobicContact CB-CD2 4.28Å; A417-F440 HydrophobicContact CB-CG 3.84Å
418N79.2Confident73.9Confident82 Ų8250.8 Ų50.844%0.43928%0.278SS..Hα-helixtrans-57.4-42.6-179.6-72.3-8.9000111.8K414 V421 K422K414-N418 WeakPolarHBondContact O-CB 3.19Å; K414-N418 PolarHBondContact O-N 2.82Å; N418-V421 WeakPolarHBondContact O-CB 3.33Å; N418-V421 PolarHBondContact O-N 3.07Å; N418-K422 WeakPolarHBondContact O-CG 3.38Å; N418-K422 PolarHBondContact O-N 3.45Å
419N72.8Confident74.5Confident5 Ų551.1 Ų51.13%0.02728%0.283CS..Hα-helixtrans-74.5-30.5179.8-68.5-36.9000112.1L311 C415 A417 V421 K422 V423L311-N419 HydrophobicContact CB-CB 4.33Å; L311-N419 HydrophobicContact CD2-CB 3.33Å; L311-N419 WeakPolarHBondContact CD2-O 3.17Å; L311-N419 HydrophobicContact CG-CB 4.39Å; C415-N419 VanDerWaalsContact O-CB 3.27Å; C415-N419 WeakPolarHBondContact O-CB 3.48Å; C415-N419 VanDerWaalsContact O-CG 3.25Å; C415-N419 PolarHBondContact O-N 3.35Å; C415-N419 PolarHBondContact O-ND2 2.96Å; A417-N419 VanDerWaalsContact C-N 3.29Å; A417-N419 PolarHBondContact O-N 2.85Å; N419-V421 VanDerWaalsContact C-N 3.34Å; N419-K422 PolarHBondContact O-N 2.84Å; N419-V423 WeakPolarHBondContact O-CG2 3.06Å; N419-V423 PolarHBondContact O-N 2.92Å; N419-V423 VanDerWaalsContact O-N 3.09Å
420S73.9Confident75.2Confident15 Ų1553.7 Ų53.711%0.10528%0.284CS..Hα-helixtrans-64.1-39.5169.5-59.50000111.8V416 A417 V423 V424 F440V416-S420 WeakPolarHBondContact O-CB 3.46Å; V416-S420 PolarHBondContact O-N 2.84Å; V416-S420 PolarHBondContact O-OG 3.42Å; A417-S420 WeakPolarHBondContact O-CB 3.19Å; A417-S420 PolarHBondContact O-N 2.75Å; A417-S420 VanDerWaalsContact O-N 3.09Å; S420-V423 PolarHBondContact O-N 2.82Å; S420-V424 WeakPolarHBondContact O-CG2 3.49Å; S420-V424 PolarHBondContact O-N 3.49Å; S420-F440 VanDerWaalsContact CB-CE2 3.45Å
421V80.7Confident75.5Confident18 Ų1853 Ų5311%0.10929%0.287CS..Hα-helixtrans-61-45.2173.7173.50000111.1A417 N418 N419 V423 V424 E425 A433 A436 D437 F440A417-V421 WeakPolarHBondContact O-CG2 3.26Å; A417-V421 PolarHBondContact O-N 3.24Å; N418-V421 WeakPolarHBondContact O-CB 3.33Å; N418-V421 PolarHBondContact O-N 3.07Å; N419-V421 VanDerWaalsContact C-N 3.34Å; V421-V423 VanDerWaalsContact C-N 3.34Å; V421-V423 PolarHBondContact O-N 2.87Å; V421-V424 WeakPolarHBondContact O-CB 3.47Å; V421-V424 PolarHBondContact O-N 3Å; V421-V424 VanDerWaalsContact O-N 3.14Å; V421-E425 WeakPolarHBondContact O-CB 3.15Å; V421-E425 PolarHBondContact O-N 3.49Å; V421-A433 HydrophobicContact CG1-CB 3.96Å; V421-A436 HydrophobicContact CG2-CB 4.26Å; V421-D437 HydrophobicContact CG1-CB 4.19Å; V421-D437 HydrophobicContact CG2-CB 3.82Å; V421-F440 HydrophobicContact CG2-CD2 3.71Å; V421-F440 HydrophobicContact CG2-CE2 4.06Å
422K76.7Confident75.8Confident108 Ų10851.1 Ų51.147%0.4728%0.277SS..Hα-helixtrans-59-41.6175.7-71.3177.2-178.3173.20112.7N418 N419 V424 E425 C426N418-K422 WeakPolarHBondContact O-CG 3.38Å; N418-K422 PolarHBondContact O-N 3.45Å; N419-K422 PolarHBondContact O-N 2.84Å; K422-V424 VanDerWaalsContact C-N 3.33Å; K422-V424 PolarHBondContact O-N 3.04Å; K422-E425 WeakPolarHBondContact O-CB 3.46Å; K422-E425 PolarHBondContact O-N 2.65Å; K422-C426 PolarHBondContact O-N 2.9Å; K422-C426 PolarHBondContact O-SG 3.21Å; K422-C426 VanDerWaalsContact O-SG 3.34Å
423V73.3Confident76.4Confident30 Ų3048.7 Ų48.718%0.18227%0.265CS..Hα-helixtrans-64.5-39.2176.3171.50000111.4L311 F314 N419 S420 V421 K427L311-V423 HydrophobicContact CD2-CG2 3.7Å; L311-V423 HydrophobicContact CG-CG2 4.28Å; F314-V423 HydrophobicContact CD1-CG2 4.17Å; F314-V423 HydrophobicContact CE1-CG1 4.28Å; F314-V423 HydrophobicContact CE1-CG2 4.49Å; N419-V423 WeakPolarHBondContact O-CG2 3.06Å; N419-V423 PolarHBondContact O-N 2.92Å; N419-V423 VanDerWaalsContact O-N 3.09Å; S420-V423 PolarHBondContact O-N 2.82Å; V421-V423 VanDerWaalsContact C-N 3.34Å; V421-V423 PolarHBondContact O-N 2.87Å; V423-K427 WeakPolarHBondContact O-CB 3.19Å; V423-K427 PolarHBondContact O-N 2.81Å; V423-K427 VanDerWaalsContact O-N 3.11Å
424V75.5Confident76.9Confident34 Ų3449.7 Ų49.721%0.20626%0.263CS..Hα-helixtrans-66.7-38.81751740000111.2S420 V421 K422 K427 Y428 G429 A432 A436S420-V424 WeakPolarHBondContact O-CG2 3.49Å; S420-V424 PolarHBondContact O-N 3.49Å; V421-V424 WeakPolarHBondContact O-CB 3.47Å; V421-V424 PolarHBondContact O-N 3Å; V421-V424 VanDerWaalsContact O-N 3.14Å; K422-V424 VanDerWaalsContact C-N 3.33Å; K422-V424 PolarHBondContact O-N 3.04Å; V424-K427 PolarHBondContact O-N 3.37Å; V424-Y428 HydrophobicContact CG1-CD2 4.23Å; V424-Y428 WeakPolarHBondContact O-CA 3.39Å; V424-Y428 WeakPolarHBondContact O-CB 3.42Å; V424-Y428 PolarHBondContact O-N 3.14Å; V424-G429 PolarHBondContact O-N 3.29Å; V424-A432 HydrophobicContact CG1-CB 3.53Å; V424-A432 WeakPolarHBondContact CG1-O 3.44Å; V424-A436 HydrophobicContact CB-CB 4.35Å; V424-A436 HydrophobicContact CG1-CB 4.19Å; V424-A436 HydrophobicContact CG2-CB 4.2Å
425E80.7Confident77Confident70 Ų7044.4 Ų44.433%0.32724%0.241SC..Hα-helixtrans-59.7-50.4175.4-166.5173.7-16700111.5V421 K422 K427 G429 Q430 A433V421-E425 WeakPolarHBondContact O-CB 3.15Å; V421-E425 PolarHBondContact O-N 3.49Å; K422-E425 WeakPolarHBondContact O-CB 3.46Å; K422-E425 PolarHBondContact O-N 2.65Å; E425-K427 VanDerWaalsContact C-N 3.35Å; E425-K427 PolarHBondContact O-N 3.06Å; E425-G429 VanDerWaalsContact O-CA 3.26Å; E425-G429 WeakPolarHBondContact O-CA 3.4Å; E425-G429 PolarHBondContact O-N 3.05Å; E425-Q430 VanDerWaalsContact OE1-CD 3.3Å; E425-Q430 PolarHBondContact OE1-NE2 2.86Å; E425-Q430 PolarHBondContact OE1-OE1 2.82Å; E425-A433 HydrophobicContact CB-CB 3.66Å; E425-A433 HydrophobicContact CG-CB 4.02Å
426C75.7Confident77.3Confident61 Ų6144.3 Ų44.341%0.41224%0.241SC..Hα-helixtrans-63.1-37.5178.1-65.40000113.1K422K422-C426 PolarHBondContact O-N 2.9Å; K422-C426 PolarHBondContact O-SG 3.21Å; K422-C426 VanDerWaalsContact O-SG 3.34Å
427K74.3Confident77.9Confident85 Ų8545.3 Ų45.337%0.3725%0.245SC..Hα-helixtrans-88.5-40-173.6-166.4172.4179-170.50114.1V318 S321 V423 V424 E425V318-K427 HydrophobicContact CG1-CB 3.86Å; V318-K427 HydrophobicContact CG1-CD 4.19Å; V318-K427 HydrophobicContact CG1-CG 4.07Å; S321-K427 WeakPolarHBondContact CB-O 3.44Å; S321-K427 PolarHBondContact N-O 3.46Å; V423-K427 WeakPolarHBondContact O-CB 3.19Å; V423-K427 PolarHBondContact O-N 2.81Å; V423-K427 VanDerWaalsContact O-N 3.11Å; V424-K427 PolarHBondContact O-N 3.37Å; E425-K427 VanDerWaalsContact C-N 3.35Å; E425-K427 PolarHBondContact O-N 3.06Å
428Y74.3Confident78Confident93 Ų9345.1 Ų45.137%0.36524%0.242SC..Hα-helixtrans-122.8-5.6-168.3-59.8-69.5000113.7V325 V424V325-Y428 HydrophobicContact CG2-CD1 3.65Å; V325-Y428 HydrophobicContact CG2-CG 4.29Å; V325-Y428 PolarHBondContact N-O 3.26Å; V424-Y428 HydrophobicContact CG1-CD2 4.23Å; V424-Y428 WeakPolarHBondContact O-CA 3.39Å; V424-Y428 WeakPolarHBondContact O-CB 3.42Å; V424-Y428 PolarHBondContact O-N 3.14Å
429G81.4Confident77.7Confident20 Ų2041.4 Ų41.421%0.20622%0.223CC..  trans90.5175.417700000115.1V424 E425 S431 A432 A433V424-G429 PolarHBondContact O-N 3.29Å; E425-G429 VanDerWaalsContact O-CA 3.26Å; E425-G429 WeakPolarHBondContact O-CA 3.4Å; E425-G429 PolarHBondContact O-N 3.05Å; G429-S431 VanDerWaalsContact C-N 3.3Å; G429-S431 PolarHBondContact O-N 2.86Å; G429-A432 PolarHBondContact O-N 3.26Å; G429-A432 VanDerWaalsContact O-N 3.12Å; G429-A433 PolarHBondContact O-N 3.48Å; G429-A433 VanDerWaalsContact O-N 3.14Å
430Q83.4Confident77.9Confident115 Ų11542.7 Ų42.754%0.53723%0.228SC..Hα-helixtrans-57.6-38.2-172.8-149.666.517.200114.2E425 A432 A433 T434E425-Q430 VanDerWaalsContact OE1-CD 3.3Å; E425-Q430 PolarHBondContact OE1-NE2 2.86Å; E425-Q430 PolarHBondContact OE1-OE1 2.82Å; Q430-A432 VanDerWaalsContact C-N 3.3Å; Q430-A432 PolarHBondContact O-N 2.86Å; Q430-A433 PolarHBondContact O-N 3.48Å; Q430-T434 WeakPolarHBondContact O-CG2 3.34Å; Q430-T434 PolarHBondContact O-N 3.03Å; Q430-T434 PolarHBondContact O-OG1 3.42Å
431S77.5Confident77.9Confident49 Ų4946.2 Ų46.234%0.34324%0.24SC..Hα-helixtrans-62.7-37-179.8-760000112.4I327 Q332 G429 T434 L435I327-S431 VanDerWaalsContact CD1-O 3.3Å; I327-S431 WeakPolarHBondContact CD1-O 3.39Å; Q332-S431 VanDerWaalsContact NE2-CA 3.34Å; Q332-S431 PolarHBondContact NE2-O 3.48Å; Q332-S431 PolarHBondContact NE2-OG 3.18Å; G429-S431 VanDerWaalsContact C-N 3.3Å; G429-S431 PolarHBondContact O-N 2.86Å; S431-T434 PolarHBondContact O-OG1 2.75Å; S431-L435 PolarHBondContact O-N 3.27Å
432A77.7Confident77Confident12 Ų1247.4 Ų47.410%0.09925%0.245CC..Hα-helixtrans-77.4-36.4176.800000111.6I327 V424 G429 Q430 L435 A436I327-A432 VanDerWaalsContact CD1-CA 3.42Å; I327-A432 HydrophobicContact CD1-CB 3.93Å; V424-A432 HydrophobicContact CG1-CB 3.53Å; V424-A432 WeakPolarHBondContact CG1-O 3.44Å; G429-A432 PolarHBondContact O-N 3.26Å; G429-A432 VanDerWaalsContact O-N 3.12Å; Q430-A432 VanDerWaalsContact C-N 3.3Å; Q430-A432 PolarHBondContact O-N 2.86Å; A432-L435 PolarHBondContact O-N 2.72Å; A432-A436 WeakPolarHBondContact O-CB 3.29Å; A432-A436 PolarHBondContact O-N 3.3Å
433A82.3Confident76.4Confident3 Ų343.8 Ų43.83%0.02524%0.236CC..Hα-helixtrans-60.7-45.6175.700000111.8V421 E425 G429 Q430 L435 A436 D437V421-A433 HydrophobicContact CG1-CB 3.96Å; E425-A433 HydrophobicContact CB-CB 3.66Å; E425-A433 HydrophobicContact CG-CB 4.02Å; G429-A433 PolarHBondContact O-N 3.48Å; G429-A433 VanDerWaalsContact O-N 3.14Å; Q430-A433 PolarHBondContact O-N 3.48Å; A433-L435 PolarHBondContact O-N 2.55Å; A433-A436 PolarHBondContact O-N 3.11Å; A433-D437 WeakPolarHBondContact O-CB 3.4Å; A433-D437 PolarHBondContact O-N 2.97Å
434T82Confident76Confident59 Ų5944.1 Ų44.136%0.36225%0.245SC..Hα-helixtrans-63.8-38.1177.251.80000112.8Q430 S431 N438Q430-T434 WeakPolarHBondContact O-CG2 3.34Å; Q430-T434 PolarHBondContact O-N 3.03Å; Q430-T434 PolarHBondContact O-OG1 3.42Å; S431-T434 PolarHBondContact O-OG1 2.75Å; T434-N438 VanDerWaalsContact O-CG 3.22Å; T434-N438 PolarHBondContact O-N 3.26Å; T434-N438 VanDerWaalsContact O-N 3.12Å; T434-N438 PolarHBondContact O-ND2 3.43Å
435L78.5Confident75.2Confident20 Ų2048.3 Ų48.311%0.10526%0.258CS..Hα-helixtrans-65.3-44.5173.5-179.962.3000111.5I327 V331 V335 L352 S431 A432 A433 N438 A439I327-L435 HydrophobicContact CD1-CB 4.15Å; I327-L435 HydrophobicContact CD1-CD2 3.8Å; I327-L435 HydrophobicContact CG2-CD2 4.21Å; V331-L435 HydrophobicContact CG1-CD1 4.12Å; V331-L435 HydrophobicContact CG1-CD2 4.45Å; V335-L435 HydrophobicContact CB-CD1 4.16Å; V335-L435 HydrophobicContact CG1-CD1 4.1Å; V335-L435 HydrophobicContact CG2-CD1 3.7Å; L352-L435 HydrophobicContact CD2-CD1 4.37Å; L352-L435 HydrophobicContact CD2-CD2 3.95Å; L352-L435 HydrophobicContact CD2-CG 4.3Å; S431-L435 PolarHBondContact O-N 3.27Å; A432-L435 PolarHBondContact O-N 2.72Å; A433-L435 PolarHBondContact O-N 2.55Å; L435-N438 PolarHBondContact O-N 3.07Å; L435-A439 VanDerWaalsContact O-CB 3.31Å; L435-A439 WeakPolarHBondContact O-CB 3.37Å; L435-A439 PolarHBondContact O-N 3.23Å
436A78.8Confident73.8Confident9 Ų948.2 Ų48.27%0.07427%0.265CS..Hα-helixtrans-62.7-45.3177.300000111.7V421 V424 A432 A433 N438 A439 F440V421-A436 HydrophobicContact CG2-CB 4.26Å; V424-A436 HydrophobicContact CB-CB 4.35Å; V424-A436 HydrophobicContact CG1-CB 4.19Å; V424-A436 HydrophobicContact CG2-CB 4.2Å; A432-A436 WeakPolarHBondContact O-CB 3.29Å; A432-A436 PolarHBondContact O-N 3.3Å; A433-A436 PolarHBondContact O-N 3.11Å; A436-N438 VanDerWaalsContact C-N 3.35Å; A436-N438 PolarHBondContact O-N 3.21Å; A436-A439 PolarHBondContact O-N 3.12Å; A436-A439 VanDerWaalsContact O-N 3.16Å; A436-F440 HydrophobicContact CB-CD2 4.4Å; A436-F440 HydrophobicContact CB-CE2 4.2Å; A436-F440 WeakPolarHBondContact O-CD2 3.28Å; A436-F440 WeakPolarHBondContact O-CG 3.35Å; A436-F440 PolarHBondContact O-N 3.32Å
437D82.5Confident72.6Confident47 Ų4747.7 Ų47.725%0.25127%0.265SS..Hα-helixtrans-58.9-46.6177.9-176.249.9000111.3R339 V421 A433 A439 F440 Y441R339-D437 IonicContact CZ-OD2 2.83Å; R339-D437 IonicContact NH1-OD2 2.76Å; R339-D437 PolarHBondContact NH1-OD2 2.91Å; R339-D437 IonicContact NH2-OD2 2.76Å; V421-D437 HydrophobicContact CG1-CB 4.19Å; V421-D437 HydrophobicContact CG2-CB 3.82Å; A433-D437 WeakPolarHBondContact O-CB 3.4Å; A433-D437 PolarHBondContact O-N 2.97Å; D437-A439 PolarHBondContact O-N 3.25Å; D437-F440 PolarHBondContact O-N 3.07Å; D437-Y441 WeakPolarHBondContact O-CB 3.07Å; D437-Y441 PolarHBondContact O-N 3.17Å
438N77.7Confident71.6Confident12 Ų1247 Ų476%0.06426%0.263CS..Hα-helixtrans-66.9-36.7176.1-66.4-36.2000112.8V335 R339 T434 L435 A436 Y441 L442V335-N438 HydrophobicContact CG1-CB 3.17Å; R339-N438 WeakPolarHBondContact CD-OD1 3.4Å; R339-N438 PolarHBondContact NH1-OD1 2.89Å; T434-N438 VanDerWaalsContact O-CG 3.22Å; T434-N438 PolarHBondContact O-N 3.26Å; T434-N438 VanDerWaalsContact O-N 3.12Å; T434-N438 PolarHBondContact O-ND2 3.43Å; L435-N438 PolarHBondContact O-N 3.07Å; A436-N438 VanDerWaalsContact C-N 3.35Å; A436-N438 PolarHBondContact O-N 3.21Å; N438-Y441 PolarHBondContact O-N 3.41Å; N438-L442 WeakPolarHBondContact O-CB 3.4Å; N438-L442 VanDerWaalsContact O-CG 3.29Å; N438-L442 WeakPolarHBondContact O-CG 2.92Å; N438-L442 PolarHBondContact O-N 3.12Å
439A72.7Confident70.1Confident5 Ų546.6 Ų46.64%0.04127%0.271CS..Hα-helixtrans-66.3-42.517600000111.7L435 A436 D437 L442 A443L435-A439 VanDerWaalsContact O-CB 3.31Å; L435-A439 WeakPolarHBondContact O-CB 3.37Å; L435-A439 PolarHBondContact O-N 3.23Å; A436-A439 PolarHBondContact O-N 3.12Å; A436-A439 VanDerWaalsContact O-N 3.16Å; D437-A439 PolarHBondContact O-N 3.25Å; A439-L442 PolarHBondContact O-N 2.9Å; A439-A443 VanDerWaalsContact O-CB 3.23Å; A439-A443 WeakPolarHBondContact O-CB 3.45Å; A439-A443 PolarHBondContact O-N 3.45Å
440F76.8Confident68.2Low32 Ų3248.1 Ų48.114%0.1428%0.282CS..Hα-helixtrans-64.5-40.6174.4-76.2-57.4000112.1V356 A360 A417 S420 V421 A436 D437 A443 G444V356-F440 HydrophobicContact CG1-CD1 4.04Å; V356-F440 HydrophobicContact CG1-CE1 3.41Å; V356-F440 VanDerWaalsContact CG1-CE1 3.41Å; V356-F440 HydrophobicContact CG1-CE2 3.97Å; V356-F440 HydrophobicContact CG1-CZ 3.37Å; A360-F440 HydrophobicContact CB-CE1 3.96Å; A417-F440 HydrophobicContact CB-CB 3.85Å; A417-F440 HydrophobicContact CB-CD1 4.12Å; A417-F440 HydrophobicContact CB-CD2 4.28Å; A417-F440 HydrophobicContact CB-CG 3.84Å; S420-F440 VanDerWaalsContact CB-CE2 3.45Å; V421-F440 HydrophobicContact CG2-CD2 3.71Å; V421-F440 HydrophobicContact CG2-CE2 4.06Å; A436-F440 HydrophobicContact CB-CD2 4.4Å; A436-F440 HydrophobicContact CB-CE2 4.2Å; A436-F440 WeakPolarHBondContact O-CD2 3.28Å; A436-F440 WeakPolarHBondContact O-CG 3.35Å; A436-F440 PolarHBondContact O-N 3.32Å; D437-F440 PolarHBondContact O-N 3.07Å; F440-A443 PolarHBondContact O-N 3.07Å; F440-G444 PolarHBondContact O-N 3.45Å
441Y73.1Confident66.1Low89 Ų8946.7 Ų46.735%0.34928%0.281SS..Hα-helixtrans-60.6-49.4174.2-172.4-92.2000111R339 D437 N438 G444 Y445R339-Y441 HydrophobicContact CG-CD1 4.28Å; R339-Y441 HydrophobicContact CG-CE1 4.2Å; D437-Y441 WeakPolarHBondContact O-CB 3.07Å; D437-Y441 PolarHBondContact O-N 3.17Å; N438-Y441 PolarHBondContact O-N 3.41Å; Y441-G444 PolarHBondContact O-N 2.83Å; Y441-Y445 AromaticContact CD1-CD2 3.82Å; Y441-Y445 HydrophobicContact CD1-CD2 3.82Å; Y441-Y445 AromaticContact CD1-CE2 3.98Å; Y441-Y445 HydrophobicContact CD1-CE2 3.98Å; Y441-Y445 HydrophobicContact CD2-CD2 4.48Å; Y441-Y445 HydrophobicContact CD2-CE2 4.18Å; Y441-Y445 AromaticContact CE1-CD2 3.55Å; Y441-Y445 HydrophobicContact CE1-CD2 3.55Å; Y441-Y445 AromaticContact CE1-CE2 3.31Å; Y441-Y445 HydrophobicContact CE1-CE2 3.31Å; Y441-Y445 HydrophobicContact CE2-CD2 4.25Å; Y441-Y445 AromaticContact CE2-CE2 3.54Å; Y441-Y445 HydrophobicContact CE2-CE2 3.54Å; Y441-Y445 HydrophobicContact CG-CD2 4.3Å; Y441-Y445 HydrophobicContact CG-CE2 4.38Å; Y441-Y445 AromaticContact CZ-CD2 3.8Å; Y441-Y445 AromaticContact CZ-CE2 3.06Å; Y441-Y445 AromaticContact CZ-CZ 3.75Å; Y441-Y445 WeakPolarHBondContact O-CD2 3.3Å; Y441-Y445 PolarHBondContact O-N 3.44Å; Y441-Y445 WeakPolarHBondContact OH-CE2 3.07Å; Y441-Y445 PolarHBondContact OH-OH 2.66Å
442L61.8Low64.3Low42 Ų4246.2 Ų46.222%0.2227%0.274CS..Hα-helixtrans-61.7-45.5177.2-74.5167.5000112.3V335 L338 I348 N438 A439 G444 Y445 S446V335-L442 HydrophobicContact CG1-CD1 4.34Å; L338-L442 HydrophobicContact CB-CD1 4.31Å; L338-L442 HydrophobicContact CB-CD2 4.19Å; I348-L442 HydrophobicContact CD1-CD1 3.5Å; I348-L442 VanDerWaalsContact CD1-CD1 3.5Å; N438-L442 WeakPolarHBondContact O-CB 3.4Å; N438-L442 VanDerWaalsContact O-CG 3.29Å; N438-L442 WeakPolarHBondContact O-CG 2.92Å; N438-L442 PolarHBondContact O-N 3.12Å; A439-L442 PolarHBondContact O-N 2.9Å; L442-G444 VanDerWaalsContact C-N 3.29Å; L442-G444 PolarHBondContact O-N 2.92Å; L442-Y445 PolarHBondContact O-N 3.42Å; L442-S446 PolarHBondContact O-N 2.81Å; L442-S446 PolarHBondContact O-OG 2.96Å
443A64.8Low62.1Low33 Ų3348.9 Ų48.927%0.27329%0.289SS..Hα-helixtrans-60.3-40.2175.900000111.5A439 F440 S446 A447A439-A443 VanDerWaalsContact O-CB 3.23Å; A439-A443 WeakPolarHBondContact O-CB 3.45Å; A439-A443 PolarHBondContact O-N 3.45Å; F440-A443 PolarHBondContact O-N 3.07Å; A443-S446 VanDerWaalsContact CA-OG 3.28Å; A443-S446 WeakPolarHBondContact CA-OG 3.42Å; A443-S446 PolarHBondContact O-N 2.9Å; A443-S446 PolarHBondContact O-OG 3.48Å; A443-A447 WeakPolarHBondContact O-CB 3.46Å; A443-A447 PolarHBondContact O-N 2.97Å
444G64Low59.9Low37 Ų3756.1 Ų56.138%0.38132%0.322SS..Hα-helixtrans-64.4-42.5175.600000112.7F440 Y441 L442 Q448F440-G444 PolarHBondContact O-N 3.45Å; Y441-G444 PolarHBondContact O-N 2.83Å; L442-G444 VanDerWaalsContact C-N 3.29Å; L442-G444 PolarHBondContact O-N 2.92Å; G444-Q448 WeakPolarHBondContact O-CB 3.43Å; G444-Q448 PolarHBondContact O-N 3.01Å
445Y59.1Low58.3Low121 Ų12156.8 Ų56.848%0.47532%0.321SS..Hα-helixtrans-66.8-41.4173.6-91.3-94.7000112.2Y441 L442 T449Y441-Y445 AromaticContact CD1-CD2 3.82Å; Y441-Y445 HydrophobicContact CD1-CD2 3.82Å; Y441-Y445 AromaticContact CD1-CE2 3.98Å; Y441-Y445 HydrophobicContact CD1-CE2 3.98Å; Y441-Y445 HydrophobicContact CD2-CD2 4.48Å; Y441-Y445 HydrophobicContact CD2-CE2 4.18Å; Y441-Y445 AromaticContact CE1-CD2 3.55Å; Y441-Y445 HydrophobicContact CE1-CD2 3.55Å; Y441-Y445 AromaticContact CE1-CE2 3.31Å; Y441-Y445 HydrophobicContact CE1-CE2 3.31Å; Y441-Y445 HydrophobicContact CE2-CD2 4.25Å; Y441-Y445 AromaticContact CE2-CE2 3.54Å; Y441-Y445 HydrophobicContact CE2-CE2 3.54Å; Y441-Y445 HydrophobicContact CG-CD2 4.3Å; Y441-Y445 HydrophobicContact CG-CE2 4.38Å; Y441-Y445 AromaticContact CZ-CD2 3.8Å; Y441-Y445 AromaticContact CZ-CE2 3.06Å; Y441-Y445 AromaticContact CZ-CZ 3.75Å; Y441-Y445 WeakPolarHBondContact O-CD2 3.3Å; Y441-Y445 PolarHBondContact O-N 3.44Å; Y441-Y445 WeakPolarHBondContact OH-CE2 3.07Å; Y441-Y445 PolarHBondContact OH-OH 2.66Å; L442-Y445 PolarHBondContact O-N 3.42Å; Y445-T449 WeakPolarHBondContact O-CB 3.03Å; Y445-T449 PolarHBondContact O-N 3.37Å; Y445-T449 PolarHBondContact O-OG1 2.83Å
446S50.7Low56.4Low69 Ų6960.7 Ų60.748%0.48334%0.337SS..Hα-helixtrans-67-39.4175.957.60000112.3L442 A443 T449 A450L442-S446 PolarHBondContact O-N 2.81Å; L442-S446 PolarHBondContact O-OG 2.96Å; A443-S446 VanDerWaalsContact CA-OG 3.28Å; A443-S446 WeakPolarHBondContact CA-OG 3.42Å; A443-S446 PolarHBondContact O-N 2.9Å; A443-S446 PolarHBondContact O-OG 3.48Å; S446-T449 WeakPolarHBondContact O-CB 3.49Å; S446-T449 PolarHBondContact O-N 3.49Å; S446-A450 WeakPolarHBondContact O-CB 3.41Å; S446-A450 PolarHBondContact O-N 3.23Å
447A52.2Low54.6Low49 Ų4962.1 Ų62.141%0.40535%0.353SS..Hα-helixtrans-68.6-43.1176.600000111A443 T449 A450 V451A443-A447 WeakPolarHBondContact O-CB 3.46Å; A443-A447 PolarHBondContact O-N 2.97Å; A447-T449 PolarHBondContact O-N 2.95Å; A447-A450 PolarHBondContact O-N 3.1Å; A447-V451 WeakPolarHBondContact O-CB 3.34Å; A447-V451 VanDerWaalsContact O-CG2 3.26Å; A447-V451 WeakPolarHBondContact O-CG2 3.43Å; A447-V451 PolarHBondContact O-N 2.75Å
448Q52.6Low52.9Low70 Ų7062.5 Ų62.533%0.32736%0.357SS..Hα-helixtrans-61.5-36173.6-176.616856.400111.1G444 N452G444-Q448 WeakPolarHBondContact O-CB 3.43Å; G444-Q448 PolarHBondContact O-N 3.01Å; Q448-N452 WeakPolarHBondContact O-CB 3.36Å; Q448-N452 PolarHBondContact O-N 3.06Å; Q448-N452 PolarHBondContact O-ND2 3.24Å; Q448-N452 PolarHBondContact O-OD1 2.79Å
449T42.4Very low51.5Low85 Ų8564.2 Ų64.252%0.52136%0.364SS..Hα-helixtrans-67.4-47.2174.5-54.30000110.9Y445 S446 A447 N452 V453Y445-T449 WeakPolarHBondContact O-CB 3.03Å; Y445-T449 PolarHBondContact O-N 3.37Å; Y445-T449 PolarHBondContact O-OG1 2.83Å; S446-T449 WeakPolarHBondContact O-CB 3.49Å; S446-T449 PolarHBondContact O-N 3.49Å; A447-T449 PolarHBondContact O-N 2.95Å; T449-N452 PolarHBondContact O-N 2.91Å; T449-V453 WeakPolarHBondContact O-CB 3.48Å; T449-V453 WeakPolarHBondContact O-CG2 3.47Å; T449-V453 PolarHBondContact O-N 3.45Å
450A41Very low50.5Low53 Ų5366.5 Ų66.544%0.43838%0.38SS..Hα-helixtrans-64.3-43178.400000113.2S446 A447 V453 H454S446-A450 WeakPolarHBondContact O-CB 3.41Å; S446-A450 PolarHBondContact O-N 3.23Å; A447-A450 PolarHBondContact O-N 3.1Å; A450-V453 WeakPolarHBondContact O-CB 3.5Å; A450-V453 PolarHBondContact O-N 3.29Å; A450-H454 PolarHBondContact O-CD2 2.96Å; A450-H454 PolarHBondContact O-N 3.03Å
451V39.7Very low48.9Very low85 Ų8570.3 Ų70.352%0.51540%0.396SS..Hα-helixtrans-69.6-37.1177.8174.60000111.1A447 V453 H454 H455A447-V451 WeakPolarHBondContact O-CB 3.34Å; A447-V451 VanDerWaalsContact O-CG2 3.26Å; A447-V451 WeakPolarHBondContact O-CG2 3.43Å; A447-V451 PolarHBondContact O-N 2.75Å; V451-V453 VanDerWaalsContact C-N 3.32Å; V451-H454 PolarHBondContact O-N 3.47Å; V451-H455 PolarHBondContact O-CD2 2.66Å; V451-H455 VanDerWaalsContact O-CD2 3.28Å; V451-H455 PolarHBondContact O-N 2.89Å
452N39.3Very low47.9Very low39 Ų3966.1 Ų66.121%0.20938%0.38CS..Hα-helixtrans-65.9-37173.1-69.6-20000111.3Q448 T449 H454 H455 F456 K459Q448-N452 WeakPolarHBondContact O-CB 3.36Å; Q448-N452 PolarHBondContact O-N 3.06Å; Q448-N452 PolarHBondContact O-ND2 3.24Å; Q448-N452 PolarHBondContact O-OD1 2.79Å; T449-N452 PolarHBondContact O-N 2.91Å; N452-H454 VanDerWaalsContact C-N 3.27Å; N452-H454 PolarHBondContact O-N 3.07Å; N452-H455 PolarHBondContact O-N 3.25Å; N452-F456 VanDerWaalsContact C-CE2 3.49Å; N452-F456 HydrophobicContact CB-CE2 4.4Å; N452-F456 HydrophobicContact CB-CZ 4.23Å; N452-F456 WeakPolarHBondContact O-CD2 3.48Å; N452-F456 VanDerWaalsContact O-CE2 3.25Å; N452-F456 WeakPolarHBondContact O-CE2 3.45Å; N452-F456 VanDerWaalsContact O-CG 3.28Å; N452-F456 WeakPolarHBondContact O-CG 3.38Å; N452-F456 PolarHBondContact O-N 3.44Å; N452-K459 PolarHBondContact OD1-NZ 3.39Å
453V31.7Very low47.5Very low67 Ų6766.6 Ų66.641%0.40639%0.385SS..Hα-helixtrans-57.6-35.3175.9168.30000113T449 A450 V451 F456T449-V453 WeakPolarHBondContact O-CB 3.48Å; T449-V453 WeakPolarHBondContact O-CG2 3.47Å; T449-V453 PolarHBondContact O-N 3.45Å; A450-V453 WeakPolarHBondContact O-CB 3.5Å; A450-V453 PolarHBondContact O-N 3.29Å; V451-V453 VanDerWaalsContact C-N 3.32Å; V453-F456 VanDerWaalsContact CA-CD2 3.49Å; V453-F456 VanDerWaalsContact CA-CE2 3.43Å; V453-F456 HydrophobicContact CB-CE2 4.31Å; V453-F456 HydrophobicContact CG2-CE2 3.95Å
454H36.2Very low47Very low155 Ų15570.9 Ų70.972%0.71840%0.399SS*.Hα-helixtrans-88.7-9.2178.5-74.5-74000115.1A450 V451 N452A450-H454 PolarHBondContact O-CD2 2.96Å; A450-H454 PolarHBondContact O-N 3.03Å; V451-H454 PolarHBondContact O-N 3.47Å; N452-H454 VanDerWaalsContact C-N 3.27Å; N452-H454 PolarHBondContact O-N 3.07Å
455H49.5Very low46.3Very low74 Ų7470 Ų7034%0.34339%0.388SS..  trans-132.627.4-172.2-63-60.2000114.3V451 N452 G457 V458 K459V451-H455 PolarHBondContact O-CD2 2.66Å; V451-H455 VanDerWaalsContact O-CD2 3.28Å; V451-H455 PolarHBondContact O-N 2.89Å; N452-H455 PolarHBondContact O-N 3.25Å; H455-G457 VanDerWaalsContact C-N 3.26Å; H455-G457 PolarHBondContact O-N 3.21Å; H455-G457 VanDerWaalsContact O-N 3.14Å; H455-V458 PolarHBondContact O-N 3.45Å; H455-K459 PolarHBondContact O-N 3.38Å
456F37.9Very low46Very low101 Ų10165.3 Ų65.344%0.44337%0.374SS..Hα-helixtrans-60.9-25.1-169.7-99.6-69.2000115.3N127 N452 V453 S460N127-F456 HydrophobicContact CB-CD2 3.99Å; N127-F456 HydrophobicContact CB-CE2 4.33Å; N127-F456 HydrophobicContact CB-CG 4.44Å; N452-F456 VanDerWaalsContact C-CE2 3.49Å; N452-F456 HydrophobicContact CB-CE2 4.4Å; N452-F456 HydrophobicContact CB-CZ 4.23Å; N452-F456 WeakPolarHBondContact O-CD2 3.48Å; N452-F456 VanDerWaalsContact O-CE2 3.25Å; N452-F456 WeakPolarHBondContact O-CE2 3.45Å; N452-F456 VanDerWaalsContact O-CG 3.28Å; N452-F456 WeakPolarHBondContact O-CG 3.38Å; N452-F456 PolarHBondContact O-N 3.44Å; V453-F456 VanDerWaalsContact CA-CD2 3.49Å; V453-F456 VanDerWaalsContact CA-CE2 3.43Å; V453-F456 HydrophobicContact CB-CE2 4.31Å; V453-F456 HydrophobicContact CG2-CE2 3.95Å; F456-S460 PolarHBondContact O-OG 3.43Å
457G41.1Very low46.4Very low40 Ų4068 Ų6841%0.41238%0.377SS..Hα-helixtrans-78.2-53.3174.800000113.4H455 K459 S460 F461H455-G457 VanDerWaalsContact C-N 3.26Å; H455-G457 PolarHBondContact O-N 3.21Å; H455-G457 VanDerWaalsContact O-N 3.14Å; G457-K459 VanDerWaalsContact C-N 3.26Å; G457-K459 PolarHBondContact O-N 2.83Å; G457-S460 PolarHBondContact O-N 3.15Å; G457-S460 PolarHBondContact O-OG 2.71Å; G457-F461 WeakPolarHBondContact O-CD2 3.3Å; G457-F461 PolarHBondContact O-N 3.41Å
458V46Very low46.4Very low55 Ų5570.6 Ų70.633%0.33338%0.381SS..Hα-helixtrans-62.2-34.4-173.7-176.30000111.7F398 W402 H455 A462F398-V458 HydrophobicContact CE1-CG1 4.02Å; W402-V458 HydrophobicContact CD2-CG1 4.3Å; W402-V458 HydrophobicContact CG-CG1 4.29Å; H455-V458 PolarHBondContact O-N 3.45Å; V458-A462 WeakPolarHBondContact O-CB 3.31Å; V458-A462 PolarHBondContact O-N 3.02Å
459K49.2Very low46.3Very low47 Ų4768.8 Ų68.820%0.20438%0.375CS..Hα-helixtrans-69.7-43.8-178.2-168.7173.8-163.5158.40113.6E406 N452 H455 G457 T463E406-K459 WeakPolarHBondContact OE1-CE 3.31Å; E406-K459 IonicContact OE1-NZ 2.68Å; E406-K459 PolarHBondContact OE1-NZ 3.16Å; E406-K459 IonicContact OE2-NZ 3.79Å; N452-K459 PolarHBondContact OD1-NZ 3.39Å; H455-K459 PolarHBondContact O-N 3.38Å; G457-K459 VanDerWaalsContact C-N 3.26Å; G457-K459 PolarHBondContact O-N 2.83Å; K459-T463 VanDerWaalsContact O-CB 3.29Å; K459-T463 WeakPolarHBondContact O-CB 3.14Å; K459-T463 PolarHBondContact O-N 2.79Å; K459-T463 PolarHBondContact O-OG1 3.24Å
460S50.6Low46.7Very low54 Ų5468.5 Ų68.538%0.37838%0.376SS..Hα-helixtrans-67-42.7178.847.30000111.1F456 G457 T463 Q464F456-S460 PolarHBondContact O-OG 3.43Å; G457-S460 PolarHBondContact O-N 3.15Å; G457-S460 PolarHBondContact O-OG 2.71Å; S460-T463 PolarHBondContact O-N 2.84Å; S460-Q464 WeakPolarHBondContact O-CG 3.49Å; S460-Q464 PolarHBondContact O-N 2.97Å
461F43.3Very low47.5Very low112 Ų11273.3 Ų73.349%0.49138%0.383SS..Hα-helixtrans-65.9-42.6175.5-72.8-64.5000111.7G457 T463 Q464 A465G457-F461 WeakPolarHBondContact O-CD2 3.3Å; G457-F461 PolarHBondContact O-N 3.41Å; F461-T463 PolarHBondContact O-N 3.02Å; F461-Q464 PolarHBondContact O-N 3.31Å; F461-A465 VanDerWaalsContact O-CB 3.31Å; F461-A465 WeakPolarHBondContact O-CB 3.33Å; F461-A465 PolarHBondContact O-N 3.47Å
462A52.9Low48.1Very low1 Ų172.6 Ų72.61%0.00838%0.379CS..Hα-helixtrans-66.7-39.1177.500000113.3L403 V458 Q464 A465 A466L403-A462 HydrophobicContact CD1-CB 3.94Å; L403-A462 WeakPolarHBondContact CD1-O 3.47Å; L403-A462 HydrophobicContact CD2-CB 4.39Å; L403-A462 HydrophobicContact CG-CB 3.84Å; V458-A462 WeakPolarHBondContact O-CB 3.31Å; V458-A462 PolarHBondContact O-N 3.02Å; A462-Q464 VanDerWaalsContact C-N 3.3Å; A462-Q464 PolarHBondContact O-N 2.89Å; A462-A465 PolarHBondContact O-N 3.39Å; A462-A466 VanDerWaalsContact O-CB 3.27Å; A462-A466 WeakPolarHBondContact O-CB 3.43Å; A462-A466 PolarHBondContact O-N 3.47Å
463T53.9Low48.4Very low52 Ų5274.6 Ų74.632%0.31939%0.389SS..Hα-helixtrans-65.8-34.9175.7-52.50000111.6K459 S460 F461 K467K459-T463 VanDerWaalsContact O-CB 3.29Å; K459-T463 WeakPolarHBondContact O-CB 3.14Å; K459-T463 PolarHBondContact O-N 2.79Å; K459-T463 PolarHBondContact O-OG1 3.24Å; S460-T463 PolarHBondContact O-N 2.84Å; F461-T463 PolarHBondContact O-N 3.02Å; T463-K467 HydrophobicContact CG2-CD 4.5Å; T463-K467 WeakPolarHBondContact O-CB 3.35Å; T463-K467 WeakPolarHBondContact O-CD 3.19Å; T463-K467 WeakPolarHBondContact O-CG 3.43Å; T463-K467 PolarHBondContact O-N 2.99Å
464Q52.8Low49.1Very low123 Ų12375.2 Ų75.258%0.57540%0.397SS*.Hα-helixtrans-71.7-47.9174.5-75.9-178.72.500111.8S460 F461 A462 A466 K467 E468S460-Q464 WeakPolarHBondContact O-CG 3.49Å; S460-Q464 PolarHBondContact O-N 2.97Å; F461-Q464 PolarHBondContact O-N 3.31Å; A462-Q464 VanDerWaalsContact C-N 3.3Å; A462-Q464 PolarHBondContact O-N 2.89Å; Q464-A466 PolarHBondContact O-N 2.78Å; Q464-K467 WeakPolarHBondContact O-CB 3.3Å; Q464-K467 PolarHBondContact O-N 3.33Å; Q464-K467 VanDerWaalsContact O-N 3.14Å; Q464-E468 PolarHBondContact O-N 2.88Å
465A49.2Very low49.7Very low17 Ų1773.7 Ų73.714%0.1439%0.39CS..Hα-helixtrans-59.5-44.4177.800000112.2V396 S399 F461 A462 K467 E468 V469V396-A465 HydrophobicContact CG1-CB 4.31Å; V396-A465 HydrophobicContact CG2-CB 4.32Å; S399-A465 WeakPolarHBondContact OG-CB 3.26Å; F461-A465 VanDerWaalsContact O-CB 3.31Å; F461-A465 WeakPolarHBondContact O-CB 3.33Å; F461-A465 PolarHBondContact O-N 3.47Å; A462-A465 PolarHBondContact O-N 3.39Å; A465-K467 VanDerWaalsContact C-N 3.35Å; A465-K467 PolarHBondContact O-N 3.38Å; A465-E468 PolarHBondContact O-N 3.14Å; A465-V469 WeakPolarHBondContact O-CG2 3.15Å; A465-V469 PolarHBondContact O-N 2.8Å
466A53.6Low49.4Very low23 Ų2377.8 Ų77.819%0.1941%0.406CS..Hα-helixtrans-65.9-33.5175.500000113.5L403 A462 Q464 S470L403-A466 HydrophobicContact CD1-CB 3.37Å; A462-A466 VanDerWaalsContact O-CB 3.27Å; A462-A466 WeakPolarHBondContact O-CB 3.43Å; A462-A466 PolarHBondContact O-N 3.47Å; Q464-A466 PolarHBondContact O-N 2.78Å; A466-S470 WeakPolarHBondContact O-CB 3.27Å; A466-S470 PolarHBondContact O-N 3.32Å; A466-S470 PolarHBondContact O-OG 3.49Å
467K58.3Low49.6Very low126 Ų12681.1 Ų81.155%0.54842%0.421SS..Hα-helixtrans-66.4-38.4172.8-80.1172.3-178.81760111.6T463 Q464 A465 S470 R471T463-K467 HydrophobicContact CG2-CD 4.5Å; T463-K467 WeakPolarHBondContact O-CB 3.35Å; T463-K467 WeakPolarHBondContact O-CD 3.19Å; T463-K467 WeakPolarHBondContact O-CG 3.43Å; T463-K467 PolarHBondContact O-N 2.99Å; Q464-K467 WeakPolarHBondContact O-CB 3.3Å; Q464-K467 PolarHBondContact O-N 3.33Å; Q464-K467 VanDerWaalsContact O-N 3.14Å; A465-K467 VanDerWaalsContact C-N 3.35Å; A465-K467 PolarHBondContact O-N 3.38Å; K467-S470 PolarHBondContact O-N 3.33Å; K467-R471 WeakPolarHBondContact O-CG 3.3Å; K467-R471 PolarHBondContact O-N 2.76Å
468E52.4Low49.6Very low104 Ų10483.3 Ų83.349%0.48643%0.43SS..Hα-helixtrans-71.8-40.8179.9-146.564-172.100112.1Q464 A465 S470 R471 T472Q464-E468 PolarHBondContact O-N 2.88Å; A465-E468 PolarHBondContact O-N 3.14Å; E468-S470 VanDerWaalsContact C-N 3.3Å; E468-S470 PolarHBondContact O-N 3.09Å; E468-R471 PolarHBondContact O-N 3.24Å; E468-R471 IonicContact OE2-NH1 2.82Å; E468-R471 PolarHBondContact OE2-NH1 3.28Å; E468-R471 VanDerWaalsContact OE2-NH1 3.15Å; E468-T472 WeakPolarHBondContact O-CG2 3.44Å; E468-T472 PolarHBondContact O-N 2.9Å; E468-T472 PolarHBondContact O-OG1 2.67Å
469V51.7Low49.6Very low32 Ų3286.6 Ų86.619%0.19445%0.45CS..Hα-helixtrans-61.5-38.8170.1173.80000111.4L290 V396 A465 T472 L473L290-V469 HydrophobicContact CD1-CG1 4.43Å; V396-V469 HydrophobicContact CG1-CG2 3.64Å; A465-V469 WeakPolarHBondContact O-CG2 3.15Å; A465-V469 PolarHBondContact O-N 2.8Å; V469-T472 WeakPolarHBondContact CA-OG1 3.44Å; V469-T472 PolarHBondContact O-OG1 3.05Å; V469-L473 WeakPolarHBondContact O-CB 3.25Å; V469-L473 PolarHBondContact O-N 3.14Å; V469-L473 VanDerWaalsContact O-N 3.12Å
470S50.4Low49Very low79 Ų7988.5 Ų88.555%0.55247%0.474SS*.Hα-helixtrans-67.8-36.7177.5-61.40000112.7A466 K467 E468 S474A466-S470 WeakPolarHBondContact O-CB 3.27Å; A466-S470 PolarHBondContact O-N 3.32Å; A466-S470 PolarHBondContact O-OG 3.49Å; K467-S470 PolarHBondContact O-N 3.33Å; E468-S470 VanDerWaalsContact C-N 3.3Å; E468-S470 PolarHBondContact O-N 3.09Å; S470-S474 WeakPolarHBondContact O-CB 3.42Å; S470-S474 PolarHBondContact O-N 3.02Å; S470-S474 VanDerWaalsContact O-N 3.16Å
471R56.9Low48.2Very low154 Ų15494.9 Ų94.958%0.58150%0.495SS*.Hα-helixtrans-67.1-49.6175.8-78.6172.8170163.7-8.6112K467 E468 L473 S474 E475K467-R471 WeakPolarHBondContact O-CG 3.3Å; K467-R471 PolarHBondContact O-N 2.76Å; E468-R471 PolarHBondContact O-N 3.24Å; E468-R471 IonicContact OE2-NH1 2.82Å; E468-R471 PolarHBondContact OE2-NH1 3.28Å; E468-R471 VanDerWaalsContact OE2-NH1 3.15Å; R471-L473 VanDerWaalsContact C-N 3.31Å; R471-L473 PolarHBondContact O-N 3.45Å; R471-S474 WeakPolarHBondContact O-CB 3.31Å; R471-S474 PolarHBondContact O-N 2.83Å; R471-S474 VanDerWaalsContact O-N 3.08Å; R471-E475 WeakPolarHBondContact O-CG 3.46Å; R471-E475 PolarHBondContact O-N 3.41Å
472T52.5Low47.8Very low69 Ų6996.1 Ų96.142%0.42351%0.511SS..Hα-helixtrans-63.4-34.3-179.3520000112.8E468 V469 K476E468-T472 WeakPolarHBondContact O-CG2 3.44Å; E468-T472 PolarHBondContact O-N 2.9Å; E468-T472 PolarHBondContact O-OG1 2.67Å; V469-T472 WeakPolarHBondContact CA-OG1 3.44Å; V469-T472 PolarHBondContact O-OG1 3.05Å; T472-K476 PolarHBondContact O-N 2.97Å; T472-K476 VanDerWaalsContact O-N 3.14Å
473L47.3Very low46.8Very low81 Ų81101.2 Ų101.242%0.42455%0.545SS..Hα-helixtrans-72.9-32.5173.8-165.669.6000112.7V469 R471 K477V469-L473 WeakPolarHBondContact O-CB 3.25Å; V469-L473 PolarHBondContact O-N 3.14Å; V469-L473 VanDerWaalsContact O-N 3.12Å; R471-L473 VanDerWaalsContact C-N 3.31Å; R471-L473 PolarHBondContact O-N 3.45Å; L473-K477 PolarHBondContact O-N 2.83Å
474S46Very low45.7Very low81 Ų81103.8 Ų103.857%0.56657%0.565SS**Hα-helixtrans-69.7-39.4174.6-168.60000111.8S470 R471 K477 S478S470-S474 WeakPolarHBondContact O-CB 3.42Å; S470-S474 PolarHBondContact O-N 3.02Å; S470-S474 VanDerWaalsContact O-N 3.16Å; R471-S474 WeakPolarHBondContact O-CB 3.31Å; R471-S474 PolarHBondContact O-N 2.83Å; R471-S474 VanDerWaalsContact O-N 3.08Å; S474-K477 PolarHBondContact O-N 3.41Å; S474-S478 PolarHBondContact O-N 3.27Å; S474-S478 PolarHBondContact O-OG 3.06Å
475E48.5Very low44.7Very low123 Ų123103 Ų10358%0.57557%0.573SS**Hα-helixtrans-67.2-42.2177-73.3172.7175.100111.7R471 K477 S478 V479R471-E475 WeakPolarHBondContact O-CG 3.46Å; R471-E475 PolarHBondContact O-N 3.41Å; E475-K477 VanDerWaalsContact C-N 3.31Å; E475-K477 PolarHBondContact O-N 3.14Å; E475-S478 WeakPolarHBondContact CA-OG 3.46Å; E475-S478 PolarHBondContact O-N 3.48Å; E475-S478 PolarHBondContact O-OG 2.91Å; E475-V479 VanDerWaalsContact O-CG2 3.31Å; E475-V479 WeakPolarHBondContact O-CG2 3.43Å; E475-V479 PolarHBondContact O-N 3.33Å
476K43.4Very low43.7Very low159 Ų159108 Ų10869%0.69161%0.605SS**Hα-helixtrans-64.8-30.2174.6-77.6-174.2176.2-178.80113.6T472T472-K476 PolarHBondContact O-N 2.97Å; T472-K476 VanDerWaalsContact O-N 3.14Å
477K42.5Very low42.6Very low172 Ų172110.7 Ų110.775%0.74863%0.628SS**Hα-helixtrans-74.4-26.9173.8-86.4-175.7175.3-179.90113.6L473 S474 E475L473-K477 PolarHBondContact O-N 2.83Å; S474-K477 PolarHBondContact O-N 3.41Å; E475-K477 VanDerWaalsContact C-N 3.31Å; E475-K477 PolarHBondContact O-N 3.14Å
478S40Very low41.3Very low86 Ų86112 Ų11260%0.60164%0.641SS**Hα-helixtrans-83-19.9177.547.70000114.6S474 E475S474-S478 PolarHBondContact O-N 3.27Å; S474-S478 PolarHBondContact O-OG 3.06Å; E475-S478 WeakPolarHBondContact CA-OG 3.46Å; E475-S478 PolarHBondContact O-N 3.48Å; E475-S478 PolarHBondContact O-OG 2.91Å
479V45.7Very low40.4Very low124 Ų124112.4 Ų112.475%0.75266%0.655SS**Hα-helixtrans-93.4-11-174.2176.60000113.2E475 K481E475-V479 VanDerWaalsContact O-CG2 3.31Å; E475-V479 WeakPolarHBondContact O-CG2 3.43Å; E475-V479 PolarHBondContact O-N 3.33Å; V479-K481 PolarHBondContact O-N 3.3Å
480A36.7Very low39.4Very low87 Ų87119.3 Ų119.372%0.71969%0.685SS**  trans-88.626.7-174.100000115.9
481K33.4Very low38.4Very low188 Ų188120.3 Ų120.382%0.81769%0.692SS**SBendtrans-127.191.2-177.6-141.1172.9-173.7-178.30113.6V479V479-K481 PolarHBondContact O-N 3.3Å
482V35.3Very low37.3Very low137 Ų137118.9 Ų118.983%0.8370%0.701SS**  trans89.6144.9143.11780000119
483P33.3Very low36.2Very low109 Ų109125.8 Ų125.871%0.70873%0.725SS**  trans-121.5177.1-139.445.2-33.5000116.8
484S29Very low35.6Very low105 Ų105130.9 Ų130.973%0.73474%0.744SS**  trans64.1133.1137.5-175.10000122.7
485S33.5Very low35.1Very low106 Ų106136.5 Ų136.574%0.74176%0.758SS**  trans80146.9155.2770000118
486C27.4Very low34.3Very low122 Ų122141 Ų14182%0.82478%0.776SS**  cis-170161.7-13.1-102.70000107.6
487A31.1Very low34.4Very low81 Ų81142.5 Ų142.567%0.66978%0.782SS**  trans75.6109.5148.200000121.7
488D30.6Very low35Very low153 Ų153144.2 Ų144.282%0.81879%0.79SS**  54.4118117.9-49.6-25.1000121.3
489S33.8Very low36Very low112 Ų112149 Ų14978%0.78380%0.802SS**  166.2125.699.9470000113.3
490E30.5Very low37.6Very low177 Ų177145.9 Ų145.983%0.82779%0.786SS**  trans39114.9139.1-72.9-179.1143.500123.3
491S29.8Very low40.1Very low101 Ų101147.1 Ų147.171%0.70678%0.777SS**  70.2122121.987.40000119.7
492T33.6Very low43Very low124 Ų124141.6 Ų141.676%0.76176%0.76SS**  -175.9123.3121.529.90000111K494T492-K494 PolarHBondContact O-N 3.09Å
493K29.7Very low45.8Very low214 Ų214135.1 Ų135.193%0.9372%0.721SS**  trans-54.6121176.6-65.8169.1177.1172.90111.5
494K33.7Very low48.8Very low187 Ų187130 Ų13081%0.81369%0.688SS**  trans-135.4109168.1-79-176.2-180170.10112.6T492T492-K494 PolarHBondContact O-N 3.09Å
495K34.5Very low52Low199 Ų199125 Ų12587%0.86565%0.653SS**  trans22.5120.9148.4-64.5-179.6176.8178.80117.5K497K495-K497 PolarHBondContact O-N 2.95Å
496K33.3Very low55Low218 Ų218122.6 Ų122.695%0.94863%0.628SS**  trans-39.3100.8169.4-71.2-178.5176.31790111.2
497K45.1Very low58.1Low190 Ų190116.8 Ų116.883%0.82659%0.589SS**  trans-73.6125.1171.8-77.2-177.8176.9178.10108K495 H499K495-K497 PolarHBondContact O-N 2.95Å; K497-H499 PolarHBondContact O-N 2.83Å
498K55.4Low61Low209 Ų209114.4 Ų114.491%0.90957%0.567SS**  trans-50.2125.4166.6-83.5179.4174.7177.30108.1S500K498-S500 PolarHBondContact O-N 3.3Å
499H60.3Low63.8Low185 Ų185110.9 Ų110.986%0.85655%0.551SS**  trans-56.3115.8173.3-73.8-87.4000108.4K497K497-H499 PolarHBondContact O-N 2.83Å
500S79Confident66.5Low59 Ų59105.8 Ų105.841%0.41352%0.515SS..PPolyproline II helixtrans-77.2131.9177.6-172.90000108.9K498 D558K498-S500 PolarHBondContact O-N 3.3Å; S500-D558 WeakPolarHBondContact CB-OD1 3.31Å; S500-D558 WeakPolarHBondContact OG-CA 3.5Å; S500-D558 VanDerWaalsContact OG-CG 3.3Å; S500-D558 PolarHBondContact OG-OD1 2.94Å
501E89.8Confident69Low114 Ų11497.9 Ų97.953%0.53348%0.479SS..PPolyproline II helixtrans-80.2137.7177.1-68.8175.5161.300109.9K557 K559E501-K557 CarbonylContact C-O 3.52Å; E501-K559 HydrophobicContact CB-CD 4.18Å; E501-K559 WeakPolarHBondContact O-CB 3.28Å; E501-K559 PolarHBondContact O-N 3.15Å; E501-K559 IonicContact OE2-NZ 3.69Å; E501-K559 PolarHBondContact OE2-NZ 3.48Å
502P93.4Very high71.3Confident71 Ų71101.4 Ų101.446%0.46148%0.478SS..PPolyproline II helixtrans-65.5148.5176.527.6-33.9000111.3E555 F556 K557P502-E555 HydrophobicContact CB-CG 4.08Å; P502-F556 VanDerWaalsContact CA-O 3.28Å; P502-F556 WeakPolarHBondContact CA-O 3.46Å; P502-K557 WeakPolarHBondContact CA-O 3.2Å
503G94.8Very high73.4Confident1 Ų198.3 Ų98.31%0.0146%0.461CS..EExtended strand (participates in β ladder)trans-128.2137.8177.200000111.7F556G503-F556 PolarHBondContact N-O 3.44Å; G503-F556 PolarHBondContact O-N 2.76Å
504I96.2Very high76Confident2 Ų288.7 Ų88.71%0.0142%0.419CS..EExtended strand (participates in β ladder)trans-103.4136.2-177.9-62.7175.4000111W553 I554 E555 Y591 L592 F595 W597I504-W553 HydrophobicContact CG2-CB 4.16Å; I504-I554 CarbonylContact C-O 3.59Å; I504-I554 WeakPolarHBondContact CA-O 3.47Å; I504-E555 HydrophobicContact CG1-CB 4.35Å; I504-E555 HydrophobicContact CG1-CG 4.47Å; I504-Y591 WeakPolarHBondContact O-CD2 3.48Å; I504-L592 HydrophobicContact CG2-CD1 4.32Å; I504-L592 PolarHBondContact O-N 3.06Å; I504-F595 HydrophobicContact CB-CD1 4.18Å; I504-F595 HydrophobicContact CD1-CD1 3.77Å; I504-F595 HydrophobicContact CD1-CE1 4.14Å; I504-F595 HydrophobicContact CG2-CD1 4.07Å; I504-F595 HydrophobicContact CG2-CE1 4.41Å; I504-W597 HydrophobicContact CD1-CB 4.11Å; I504-W597 HydrophobicContact CD1-CE3 4.04Å; I504-W597 VanDerWaalsContact CD1-N 3.26Å
505V96.1Very high78.6Confident0 Ų083.3 Ų83.30%040%0.402CS..EExtended strand (participates in β ladder)trans-113.8127174.9176.50000108.6W553 I554 F556 A562 I589V505-W553 CarbonylContact O-C 3.59Å; V505-W553 WeakPolarHBondContact O-CA 3.36Å; V505-I554 PolarHBondContact N-O 3.35Å; V505-I554 PolarHBondContact O-N 2.91Å; V505-F556 HydrophobicContact CG2-CD2 3.93Å; V505-F556 HydrophobicContact CG2-CE2 4Å; V505-A562 HydrophobicContact CG2-CB 3.89Å; V505-I589 HydrophobicContact CG1-CG2 3.05Å
506Y95.9Very high81.3Confident56 Ų5676 Ų7622%0.2237%0.374CS..EExtended strand (participates in β ladder)trans-95.8133.3176.6174.8-113.8000110.7E551 G552 W553 I589 K590Y506-E551 HydrophobicContact CE2-CB 3.94Å; Y506-E551 HydrophobicContact CE2-CG 4.49Å; Y506-E551 WeakPolarHBondContact CE2-OE2 3.34Å; Y506-E551 PolarHBondContact OH-OE2 3.48Å; Y506-G552 CarbonylContact C-O 3.48Å; Y506-G552 WeakPolarHBondContact CA-O 3.28Å; Y506-G552 WeakPolarHBondContact CD2-O 3.18Å; Y506-W553 AromaticContact CD2-CD1 3.96Å; Y506-W553 HydrophobicContact CD2-CD2 4.19Å; Y506-W553 AromaticContact CD2-CE2 3.66Å; Y506-W553 HydrophobicContact CD2-CG 4.38Å; Y506-W553 HydrophobicContact CD2-CZ2 4.08Å; Y506-W553 AromaticContact CD2-NE1 3.49Å; Y506-W553 AromaticContact CE2-CE2 3.87Å; Y506-W553 HydrophobicContact CE2-CH2 4.42Å; Y506-W553 AromaticContact CE2-CZ2 3.79Å; Y506-W553 HydrophobicContact CE2-CZ2 3.79Å; Y506-I589 CarbonylContact O-C 3.55Å; Y506-I589 WeakPolarHBondContact O-CA 3.42Å; Y506-K590 PolarHBondContact N-O 3.49Å; Y506-K590 PolarHBondContact O-N 2.71Å
507L94.4Very high84.1Confident0 Ų072 Ų720%036%0.359CS..EExtended strand (participates in β ladder)trans-108.3110.5171.8-60.9-178.4000108T509 I510 V519 F523 F534 E551 G552 I554 W587 N588 I589L507-T509 VanDerWaalsContact C-N 3.31Å; L507-I510 HydrophobicContact CB-CG1 4.35Å; L507-I510 HydrophobicContact CD1-CG1 4.44Å; L507-V519 HydrophobicContact CD1-CG1 4.38Å; L507-F523 HydrophobicContact CD2-CZ 4.24Å; L507-F534 HydrophobicContact CD1-CE1 4.04Å; L507-F534 HydrophobicContact CD1-CZ 4.2Å; L507-E551 CarbonylContact O-C 3.54Å; L507-E551 VanDerWaalsContact O-CA 3.27Å; L507-E551 WeakPolarHBondContact O-CA 3.32Å; L507-E551 WeakPolarHBondContact O-CB 3.33Å; L507-G552 PolarHBondContact N-O 3.41Å; L507-G552 PolarHBondContact O-N 3.4Å; L507-I554 HydrophobicContact CD1-CD1 3.71Å; L507-I554 HydrophobicContact CD1-CG1 4.39Å; L507-I554 HydrophobicContact CG-CD1 4.23Å; L507-W587 HydrophobicContact CD1-CZ3 4.29Å; L507-W587 HydrophobicContact CD2-CE3 4.34Å; L507-W587 HydrophobicContact CD2-CZ3 4.46Å; L507-N588 WeakPolarHBondContact CA-O 3.38Å; L507-I589 HydrophobicContact CD2-CB 4.16Å; L507-I589 HydrophobicContact CD2-CD1 3.69Å; L507-I589 HydrophobicContact CD2-CG1 3.46Å; L507-I589 VanDerWaalsContact CD2-CG1 3.46Å; L507-I589 HydrophobicContact CD2-CG2 4.05Å
508S91.9Very high86.2Confident30 Ų3068.3 Ų68.321%0.2134%0.34CS..SBendtrans-78.1-17.7179.961.40000113.2N588S508-N588 PolarHBondContact N-O 2.82Å; S508-N588 VanDerWaalsContact OG-CB 3.25Å; S508-N588 WeakPolarHBondContact OG-CB 3.11Å; S508-N588 PolarHBondContact OG-ND2 3.41Å; S508-N588 PolarHBondContact OG-OD1 3.41Å; S508-N588 VanDerWaalsContact OG-OD1 3.08Å
509T89.5Confident87.9Confident79 Ų7958.4 Ų58.449%0.48530%0.297SS..  trans-145.4130.7179-57.90000109.9L507L507-T509 VanDerWaalsContact C-N 3.31Å
510I89.2Confident89.5Confident5 Ų554.3 Ų54.33%0.02627%0.274CS..  trans-115.5117.6177.5-60.7163.2000109.3L507 L514 F534 E551L507-I510 HydrophobicContact CB-CG1 4.35Å; L507-I510 HydrophobicContact CD1-CG1 4.44Å; I510-L514 HydrophobicContact CG2-CB 4.06Å; I510-F534 HydrophobicContact CD1-CB 4.02Å; I510-F534 HydrophobicContact CD1-CD1 3.55Å; I510-F534 HydrophobicContact CD1-CD2 3.74Å; I510-F534 HydrophobicContact CD1-CE1 3.86Å; I510-F534 HydrophobicContact CD1-CE2 4.03Å; I510-F534 HydrophobicContact CD1-CG 3.51Å; I510-F534 HydrophobicContact CD1-CZ 4.09Å; I510-F534 HydrophobicContact CG2-CE2 4.28Å; I510-E551 VanDerWaalsContact CD1-C 3.45Å; I510-E551 WeakPolarHBondContact CD1-O 3.34Å
511P84Confident90.2Very high11 Ų1155.2 Ų55.27%0.07127%0.271CS..  trans-50.6139.1174.7-26.926.9000113.5C513 L514 V574 A582P511-C513 PolarHBondContact O-N 3.36Å; P511-L514 HydrophobicContact CB-CD1 3.86Å; P511-L514 HydrophobicContact CB-CG 4.06Å; P511-L514 HydrophobicContact CG-CD1 3.59Å; P511-L514 HydrophobicContact CG-CG 4.35Å; P511-L514 PolarHBondContact O-N 3.07Å; P511-V574 HydrophobicContact CG-CG2 3.92Å; P511-A582 HydrophobicContact CB-CB 3.88Å; P511-A582 HydrophobicContact CG-CB 4.45Å
512Y78.1Confident90.2Very high175 Ų17551.7 Ų51.769%0.68626%0.256SS*.THydrogen-bonded Turntrans-57.1-21.9-168.2-62.6-45.9000116.6R548Y512-R548 HydrophobicContact CD1-CG 3.93Å; Y512-R548 VanDerWaalsContact CE1-CD 3.41Å; Y512-R548 HydrophobicContact CE1-CG 3.87Å; Y512-R548 PolarHBondContact OH-NH1 3.44Å; Y512-R548 VanDerWaalsContact OH-NH1 3.08Å; Y512-R548 PolarHBondContact OH-NH2 3.46Å
513C76.9Confident90.2Very high60 Ų6048.3 Ų48.341%0.40523%0.234SC..THydrogen-bonded Turntrans-101.80.7-179.458.70000113.9P511 A582P511-C513 PolarHBondContact O-N 3.36Å; C513-A582 VanDerWaalsContact SG-CB 3.53Å
514L84.6Confident90.2Very high11 Ų1151.1 Ų51.16%0.05825%0.254CS..  trans-85.3119.2179.8-71.8179000111.1I510 P511 R518 V519 L522 V574 A582 W587I510-L514 HydrophobicContact CG2-CB 4.06Å; P511-L514 HydrophobicContact CB-CD1 3.86Å; P511-L514 HydrophobicContact CB-CG 4.06Å; P511-L514 HydrophobicContact CG-CD1 3.59Å; P511-L514 HydrophobicContact CG-CG 4.35Å; P511-L514 PolarHBondContact O-N 3.07Å; L514-R518 HydrophobicContact CD2-CB 4.28Å; L514-R518 HydrophobicContact CD2-CG 3.73Å; L514-V519 HydrophobicContact CB-CG2 4.04Å; L514-V519 HydrophobicContact CD1-CG2 4.21Å; L514-L522 HydrophobicContact CD2-CD1 4.35Å; L514-V574 HydrophobicContact CD1-CG1 4.15Å; L514-A582 HydrophobicContact CG-CB 4.41Å; L514-W587 HydrophobicContact CD1-CH2 3.57Å; L514-W587 HydrophobicContact CD1-CZ2 4.33Å; L514-W587 HydrophobicContact CD1-CZ3 4.1Å
515T88Confident90Very high74 Ų7458.8 Ų58.845%0.45429%0.289SS..  trans-87.5159.5169.7600000110.4Q517 R518 V519T515-Q517 PolarHBondContact O-N 3.3Å; T515-R518 PolarHBondContact O-N 2.98Å; T515-R518 VanDerWaalsContact O-N 3.09Å; T515-R518 PolarHBondContact OG1-N 3.13Å; T515-V519 PolarHBondContact O-N 3.43Å
516V91.8Very high89.9Confident45 Ų4564.4 Ų64.427%0.27331%0.311SS..Hα-helixtrans-53.5-38.9174.3178.60000111.2R520 I532 F534V516-R520 PolarHBondContact O-N 3.44Å; V516-I532 HydrophobicContact CG1-CB 4Å; V516-I532 HydrophobicContact CG1-CD1 4.44Å; V516-I532 HydrophobicContact CG1-CG2 3.84Å; V516-F534 HydrophobicContact CB-CD2 4.4Å; V516-F534 HydrophobicContact CB-CE2 4.48Å; V516-F534 HydrophobicContact CG2-CB 4.29Å; V516-F534 HydrophobicContact CG2-CD2 3.53Å; V516-F534 HydrophobicContact CG2-CE2 4.07Å; V516-F534 HydrophobicContact CG2-CG 4.01Å
517Q91.6Very high89.7Confident136 Ų13662.7 Ų62.764%0.63631%0.31SS*.Hα-helixtrans-64.8-45.7177.4-176.5174.6-1.100112.2T515 V519 R520 E521T515-Q517 PolarHBondContact O-N 3.3Å; Q517-V519 VanDerWaalsContact C-N 3.3Å; Q517-V519 PolarHBondContact O-N 3.22Å; Q517-R520 WeakPolarHBondContact O-CB 3.43Å; Q517-R520 PolarHBondContact O-N 3.25Å; Q517-R520 VanDerWaalsContact O-N 3.15Å; Q517-E521 WeakPolarHBondContact O-CG 3.25Å; Q517-E521 PolarHBondContact O-N 2.85Å
518R89.3Confident89.7Confident112 Ų11268.6 Ų68.642%0.42334%0.338SS..Hα-helixtrans-64.9-37.2179.7-173.656.6178.6171.44.5112.2L514 T515 E521 L522L514-R518 HydrophobicContact CD2-CB 4.28Å; L514-R518 HydrophobicContact CD2-CG 3.73Å; T515-R518 PolarHBondContact O-N 2.98Å; T515-R518 VanDerWaalsContact O-N 3.09Å; T515-R518 PolarHBondContact OG1-N 3.13Å; R518-E521 VanDerWaalsContact CD-OE2 3.27Å; R518-E521 WeakPolarHBondContact CD-OE2 3.26Å; R518-E521 IonicContact CZ-OE2 3.51Å; R518-E521 IonicContact NE-OE2 2.75Å; R518-E521 IonicContact NH1-OE2 3.42Å; R518-E521 PolarHBondContact NH1-OE2 2.94Å; R518-E521 PolarHBondContact O-N 3.45Å; R518-L522 HydrophobicContact CG-CD1 4.37Å; R518-L522 WeakPolarHBondContact O-CG 3.49Å; R518-L522 PolarHBondContact O-N 2.95Å; R518-L522 VanDerWaalsContact O-N 3.08Å
519V91.9Very high89.8Confident0 Ų067.9 Ų67.90%033%0.332CS..Hα-helixtrans-68.3-37.7175-179.30000111.2L507 L514 T515 Q517 E521 L522 F523 F534 I554 W587L507-V519 HydrophobicContact CD1-CG1 4.38Å; L514-V519 HydrophobicContact CB-CG2 4.04Å; L514-V519 HydrophobicContact CD1-CG2 4.21Å; T515-V519 PolarHBondContact O-N 3.43Å; Q517-V519 VanDerWaalsContact C-N 3.3Å; Q517-V519 PolarHBondContact O-N 3.22Å; V519-E521 PolarHBondContact O-N 2.98Å; V519-L522 PolarHBondContact O-N 3.46Å; V519-F523 HydrophobicContact CG1-CD2 3.54Å; V519-F523 HydrophobicContact CG1-CE2 3.67Å; V519-F523 HydrophobicContact CG1-CG 4.41Å; V519-F523 WeakPolarHBondContact O-CB 3.49Å; V519-F523 VanDerWaalsContact O-CD2 3.3Å; V519-F523 WeakPolarHBondContact O-CD2 3.41Å; V519-F523 PolarHBondContact O-N 3.4Å; V519-F534 HydrophobicContact CB-CE2 4.14Å; V519-F534 HydrophobicContact CB-CZ 3.73Å; V519-F534 HydrophobicContact CG1-CZ 3.82Å; V519-F534 HydrophobicContact CG2-CE2 3.78Å; V519-F534 HydrophobicContact CG2-CZ 3.67Å; V519-I554 HydrophobicContact CG1-CD1 3.6Å; V519-W587 HydrophobicContact CG2-CH2 4.4Å
520R93.9Very high89.9Confident99 Ų9965.2 Ų65.237%0.37432%0.32SS..Hα-helixtrans-56.6-50.3171.7-171.5178.8-71.1-90.7-2.1111V516 Q517 L522 F523 S524 I529 G530 I532V516-R520 PolarHBondContact O-N 3.44Å; Q517-R520 WeakPolarHBondContact O-CB 3.43Å; Q517-R520 PolarHBondContact O-N 3.25Å; Q517-R520 VanDerWaalsContact O-N 3.15Å; R520-L522 PolarHBondContact O-N 2.85Å; R520-F523 PolarHBondContact O-N 2.95Å; R520-S524 WeakPolarHBondContact O-CB 3.48Å; R520-S524 PolarHBondContact O-N 3.24Å; R520-S524 PolarHBondContact O-OG 3.44Å; R520-I529 HydrophobicContact CG-CD1 4.11Å; R520-I529 VanDerWaalsContact O-CD1 3.28Å; R520-I529 WeakPolarHBondContact O-CD1 3.02Å; R520-G530 PolarHBondContact NH1-O 2.99Å; R520-G530 VanDerWaalsContact NH1-O 3.16Å; R520-G530 PolarHBondContact NH2-O 3.47Å; R520-I532 HydrophobicContact CB-CD1 3.67Å; R520-I532 HydrophobicContact CG-CD1 4.11Å
521E92.3Very high90.2Very high78 Ų7870.6 Ų70.636%0.36434%0.34SS..Hα-helixtrans-56.3-48.4177.8-69.1164.9-166.600112.4Q517 R518 V519 S524 H525Q517-E521 WeakPolarHBondContact O-CG 3.25Å; Q517-E521 PolarHBondContact O-N 2.85Å; R518-E521 VanDerWaalsContact CD-OE2 3.27Å; R518-E521 WeakPolarHBondContact CD-OE2 3.26Å; R518-E521 IonicContact CZ-OE2 3.51Å; R518-E521 IonicContact NE-OE2 2.75Å; R518-E521 IonicContact NH1-OE2 3.42Å; R518-E521 PolarHBondContact NH1-OE2 2.94Å; R518-E521 PolarHBondContact O-N 3.45Å; V519-E521 PolarHBondContact O-N 2.98Å; E521-S524 PolarHBondContact O-N 3.08Å; E521-H525 PolarHBondContact O-CD2 3.5Å; E521-H525 VanDerWaalsContact O-CD2 3.3Å
522L91.3Very high90.7Very high40 Ų4071.3 Ų71.321%0.20934%0.343CS..Hα-helixtrans-64.1-44.2-178.4-70.9170.3000112.5L514 R518 V519 R520 V574 W587L514-L522 HydrophobicContact CD2-CD1 4.35Å; R518-L522 HydrophobicContact CG-CD1 4.37Å; R518-L522 WeakPolarHBondContact O-CG 3.49Å; R518-L522 PolarHBondContact O-N 2.95Å; R518-L522 VanDerWaalsContact O-N 3.08Å; V519-L522 PolarHBondContact O-N 3.46Å; R520-L522 PolarHBondContact O-N 2.85Å; L522-V574 HydrophobicContact CD1-CG1 4.39Å; L522-W587 HydrophobicContact CD1-CZ2 4.1Å
523F93.6Very high91.5Very high1 Ų165.9 Ų65.90%0.00432%0.322CS..Hα-helixtrans-80.9-22.3-176.8-77.7-110.6000112.3L507 V519 R520 H525 Y526 I529 I554 F556 V565 L569 W587 I589L507-F523 HydrophobicContact CD2-CZ 4.24Å; V519-F523 HydrophobicContact CG1-CD2 3.54Å; V519-F523 HydrophobicContact CG1-CE2 3.67Å; V519-F523 HydrophobicContact CG1-CG 4.41Å; V519-F523 WeakPolarHBondContact O-CB 3.49Å; V519-F523 VanDerWaalsContact O-CD2 3.3Å; V519-F523 WeakPolarHBondContact O-CD2 3.41Å; V519-F523 PolarHBondContact O-N 3.4Å; R520-F523 PolarHBondContact O-N 2.95Å; F523-H525 PolarHBondContact O-N 3.41Å; F523-Y526 PolarHBondContact O-N 3.11Å; F523-I529 HydrophobicContact CB-CD1 3.48Å; F523-I529 VanDerWaalsContact CB-CD1 3.48Å; F523-I529 HydrophobicContact CB-CG1 4.31Å; F523-I554 HydrophobicContact CD1-CD1 3.93Å; F523-I554 HydrophobicContact CD2-CD1 4.2Å; F523-I554 HydrophobicContact CE1-CD1 3.99Å; F523-I554 HydrophobicContact CE2-CD1 4.23Å; F523-I554 HydrophobicContact CG-CD1 4.05Å; F523-I554 HydrophobicContact CZ-CD1 4.13Å; F523-F556 HydrophobicContact CB-CZ 4.1Å; F523-F556 HydrophobicContact CD1-CE2 4.08Å; F523-F556 AromaticContact CD1-CZ 3.81Å; F523-F556 HydrophobicContact CD1-CZ 3.81Å; F523-F556 HydrophobicContact CG-CZ 4.46Å; F523-V565 HydrophobicContact CD1-CG1 3.87Å; F523-V565 HydrophobicContact CE1-CG1 3.83Å; F523-L569 HydrophobicContact CD1-CD1 4.28Å; F523-L569 HydrophobicContact CE1-CD1 3.78Å; F523-L569 HydrophobicContact CZ-CD1 3.94Å; F523-W587 AromaticContact CE2-CH2 3.75Å; F523-W587 HydrophobicContact CE2-CH2 3.75Å; F523-W587 AromaticContact CE2-CZ2 3.77Å; F523-W587 HydrophobicContact CE2-CZ2 3.77Å; F523-W587 HydrophobicContact CE2-CZ3 4.23Å; F523-W587 HydrophobicContact CZ-CH2 4.36Å; F523-W587 HydrophobicContact CZ-CZ2 4.38Å; F523-W587 HydrophobicContact CZ-CZ3 4.44Å; F523-I589 HydrophobicContact CE1-CD1 4Å; F523-I589 HydrophobicContact CZ-CD1 3.64Å
524S94.1Very high92.3Very high60 Ų6063.6 Ų63.642%0.4231%0.305SS..Hα-helixtrans-63.7-23.8178.1-82.90000112.5R520 E521 Y526 G527R520-S524 WeakPolarHBondContact O-CB 3.48Å; R520-S524 PolarHBondContact O-N 3.24Å; R520-S524 PolarHBondContact O-OG 3.44Å; E521-S524 PolarHBondContact O-N 3.08Å; S524-Y526 PolarHBondContact O-N 2.98Å; S524-G527 WeakPolarHBondContact CA-O 3.46Å
525H91.9Very high92.5Very high163 Ų16365.9 Ų65.976%0.75532%0.315SS*.THydrogen-bonded Turntrans-64.9-25173.1-68.7-60.5000113.6E521 F523E521-H525 PolarHBondContact O-CD2 3.5Å; E521-H525 VanDerWaalsContact O-CD2 3.3Å; F523-H525 PolarHBondContact O-N 3.41Å
526Y93.2Very high92.5Very high117 Ų11770 Ų7046%0.45932%0.322SS..THydrogen-bonded Turntrans-93.3-23.5-178.4-60.9-84.5000113.2F523 S524 V561 V565 L569F523-Y526 PolarHBondContact O-N 3.11Å; S524-Y526 PolarHBondContact O-N 2.98Å; Y526-V561 VanDerWaalsContact O-CG1 3.31Å; Y526-V561 WeakPolarHBondContact O-CG1 3.15Å; Y526-V565 VanDerWaalsContact CB-CG2 3.45Å; Y526-V565 HydrophobicContact CD1-CG2 4.34Å; Y526-V565 HydrophobicContact CG-CG2 3.94Å; Y526-L569 HydrophobicContact CD2-CD1 4.23Å; Y526-L569 HydrophobicContact CE1-CD2 4.49Å; Y526-L569 HydrophobicContact CE2-CD1 3.81Å; Y526-L569 HydrophobicContact CE2-CD2 4.26Å; Y526-L569 HydrophobicContact CE2-CG 4.39Å; Y526-L569 WeakPolarHBondContact OH-CD2 3.42Å
527G92.2Very high92Very high20 Ų2072.6 Ų72.621%0.20633%0.331CS..SBendtrans169179.8175.100000113.1S524 I529S524-G527 WeakPolarHBondContact CA-O 3.46Å; G527-I529 PolarHBondContact O-N 3.42Å
528E93.9Very high91.1Very high125 Ų12569.3 Ų69.358%0.58433%0.327SS*.  trans-75122-175.1-159.4176.3-179.900111.6K557E528-K557 HydrophobicContact CB-CD 4.22Å; E528-K557 HydrophobicContact CB-CG 4.29Å; E528-K557 HydrophobicContact CG-CD 4Å; E528-K557 HydrophobicContact CG-CG 4.36Å; E528-K557 PolarHBondContact O-N 3.01Å; E528-K557 VanDerWaalsContact OE1-CE 3.23Å; E528-K557 WeakPolarHBondContact OE1-CE 3.42Å; E528-K557 IonicContact OE1-NZ 3.95Å; E528-K557 PolarHBondContact OE1-NZ 3.26Å; E528-K557 VanDerWaalsContact OE2-CD 3.25Å; E528-K557 WeakPolarHBondContact OE2-CD 3.35Å; E528-K557 VanDerWaalsContact OE2-CE 3.31Å; E528-K557 WeakPolarHBondContact OE2-CE 3.28Å; E528-K557 IonicContact OE2-NZ 2.69Å; E528-K557 PolarHBondContact OE2-NZ 2.81Å
529I94.8Very high90Very high14 Ų1466.5 Ų66.57%0.07232%0.323CS..EExtended strand (participates in β ladder)trans-94.5130.1180-54172.1000109.6R520 F523 G527 I532 I554 E555 F556R520-I529 HydrophobicContact CG-CD1 4.11Å; R520-I529 VanDerWaalsContact O-CD1 3.28Å; R520-I529 WeakPolarHBondContact O-CD1 3.02Å; F523-I529 HydrophobicContact CB-CD1 3.48Å; F523-I529 VanDerWaalsContact CB-CD1 3.48Å; F523-I529 HydrophobicContact CB-CG1 4.31Å; G527-I529 PolarHBondContact O-N 3.42Å; I529-I532 HydrophobicContact CG2-CD1 3.93Å; I529-I532 HydrophobicContact CG2-CG1 3.71Å; I529-I554 HydrophobicContact CG2-CG2 3.84Å; I529-E555 WeakPolarHBondContact CG2-O 3.33Å; I529-F556 HydrophobicContact CG1-CE1 4.18Å
530G92.2Very high88.3Confident23 Ų2377.5 Ų77.524%0.23736%0.364CS..EExtended strand (participates in β ladder)trans-83.2-106.2166.800000111.2R520 E555R520-G530 PolarHBondContact NH1-O 2.99Å; R520-G530 VanDerWaalsContact NH1-O 3.16Å; R520-G530 PolarHBondContact NH2-O 3.47Å; G530-E555 PolarHBondContact N-O 3.48Å
531R94.3Very high86.7Confident119 Ų11979.4 Ų79.445%0.44938%0.375SS..EExtended strand (participates in β ladder)trans-89.6146.7-175.4-62.8173.1-77.1-163-6.2112.2E555 W597R531-E555 HydrophobicContact CB-CB 4.36Å; R531-E555 WeakPolarHBondContact CB-OE2 3.49Å; R531-E555 WeakPolarHBondContact CG-OE2 3.35Å; R531-E555 IonicContact CZ-OE1 2.6Å; R531-E555 IonicContact CZ-OE2 2.75Å; R531-E555 PolarHBondContact N-OE2 2.92Å; R531-E555 IonicContact NE-OE1 3.73Å; R531-E555 IonicContact NE-OE2 3.15Å; R531-E555 PolarHBondContact NE-OE2 3.15Å; R531-E555 IonicContact NH2-OE1 2.88Å; R531-E555 PolarHBondContact NH2-OE1 2.99Å; R531-E555 IonicContact NH2-OE2 3.57Å; R531-E555 PolarHBondContact NH2-OE2 2.99Å; R531-E555 PolarHBondContact O-N 2.92Å; R531-W597 HydrophobicContact CB-CD2 3.97Å; R531-W597 HydrophobicContact CB-CE3 3.92Å; R531-W597 HydrophobicContact CB-CH2 3.48Å; R531-W597 VanDerWaalsContact CB-CH2 3.48Å; R531-W597 HydrophobicContact CB-CZ2 3.53Å; R531-W597 HydrophobicContact CB-CZ3 3.68Å; R531-W597 HydrophobicContact CG-CZ2 4.42Å; R531-W597 VanDerWaalsContact CZ-CB 3.44Å
532I95Very high85Confident25 Ų2585.5 Ų85.513%0.12840%0.404CS..EExtended strand (participates in β ladder)trans-132.1131.2172.5-54.7176.6000107.9V516 R520 I529 F534 W553 I554V516-I532 HydrophobicContact CG1-CB 4Å; V516-I532 HydrophobicContact CG1-CD1 4.44Å; V516-I532 HydrophobicContact CG1-CG2 3.84Å; R520-I532 HydrophobicContact CB-CD1 3.67Å; R520-I532 HydrophobicContact CG-CD1 4.11Å; I529-I532 HydrophobicContact CG2-CD1 3.93Å; I529-I532 HydrophobicContact CG2-CG1 3.71Å; I532-F534 HydrophobicContact CG2-CD1 3.92Å; I532-F534 HydrophobicContact CG2-CE1 3.54Å; I532-F534 HydrophobicContact CG2-CZ 3.97Å; I532-W553 WeakPolarHBondContact CA-O 3.23Å; I532-I554 HydrophobicContact CG1-CG1 4.45Å; I532-I554 HydrophobicContact CG1-CG2 4.36Å; I532-I554 HydrophobicContact CG2-CG1 4.18Å
533Y94.1Very high83.3Confident62 Ų6295.5 Ų95.524%0.24344%0.439CS..EExtended strand (participates in β ladder)trans-131.4121.9177179.3-106.2000109.6Q535 G552 W553 L600 L604Y533-Q535 PolarHBondContact OH-OE1 3.49Å; Y533-G552 CarbonylContact O-C 3.59Å; Y533-G552 WeakPolarHBondContact O-CA 3.36Å; Y533-W553 AromaticContact CD1-CE3 3.56Å; Y533-W553 HydrophobicContact CD1-CE3 3.56Å; Y533-W553 AromaticContact CD1-CZ3 3.66Å; Y533-W553 HydrophobicContact CD1-CZ3 3.66Å; Y533-W553 HydrophobicContact CE1-CE3 4.28Å; Y533-W553 AromaticContact CE1-CZ3 3.9Å; Y533-W553 HydrophobicContact CE1-CZ3 3.9Å; Y533-W553 PolarHBondContact N-O 3.41Å; Y533-W553 PolarHBondContact O-N 2.98Å; Y533-L600 HydrophobicContact CD1-CD2 4.08Å; Y533-L600 HydrophobicContact CG-CD2 4.45Å; Y533-L604 HydrophobicContact CD1-CD1 3.93Å; Y533-L604 HydrophobicContact CE1-CD1 3.38Å; Y533-L604 HydrophobicContact CE1-CD2 3.94Å; Y533-L604 HydrophobicContact CE1-CG 4.29Å; Y533-L604 HydrophobicContact CE2-CD1 4.29Å
534F93.8Very high81.4Confident12 Ų1297.7 Ų97.75%0.05346%0.461CS..EExtended strand (participates in β ladder)trans-115126.3174.1-68.8-9.2000110.1L507 I510 V516 V519 I532 R536 Y549 E551L507-F534 HydrophobicContact CD1-CE1 4.04Å; L507-F534 HydrophobicContact CD1-CZ 4.2Å; I510-F534 HydrophobicContact CD1-CB 4.02Å; I510-F534 HydrophobicContact CD1-CD1 3.55Å; I510-F534 HydrophobicContact CD1-CD2 3.74Å; I510-F534 HydrophobicContact CD1-CE1 3.86Å; I510-F534 HydrophobicContact CD1-CE2 4.03Å; I510-F534 HydrophobicContact CD1-CG 3.51Å; I510-F534 HydrophobicContact CD1-CZ 4.09Å; I510-F534 HydrophobicContact CG2-CE2 4.28Å; V516-F534 HydrophobicContact CB-CD2 4.4Å; V516-F534 HydrophobicContact CB-CE2 4.48Å; V516-F534 HydrophobicContact CG2-CB 4.29Å; V516-F534 HydrophobicContact CG2-CD2 3.53Å; V516-F534 HydrophobicContact CG2-CE2 4.07Å; V516-F534 HydrophobicContact CG2-CG 4.01Å; V519-F534 HydrophobicContact CB-CE2 4.14Å; V519-F534 HydrophobicContact CB-CZ 3.73Å; V519-F534 HydrophobicContact CG1-CZ 3.82Å; V519-F534 HydrophobicContact CG2-CE2 3.78Å; V519-F534 HydrophobicContact CG2-CZ 3.67Å; I532-F534 HydrophobicContact CG2-CD1 3.92Å; I532-F534 HydrophobicContact CG2-CE1 3.54Å; I532-F534 HydrophobicContact CG2-CZ 3.97Å; F534-R536 PolarHBondContact O-N 2.86Å; F534-Y549 HydrophobicContact CB-CD1 3.41Å; F534-Y549 VanDerWaalsContact CB-CD1 3.41Å; F534-Y549 HydrophobicContact CB-CE1 3.9Å; F534-Y549 HydrophobicContact CB-CG 3.8Å; F534-Y549 HydrophobicContact CD2-CD1 4.37Å; F534-Y549 HydrophobicContact CD2-CD2 4.06Å; F534-Y549 HydrophobicContact CD2-CE2 4.45Å; F534-Y549 HydrophobicContact CD2-CG 4.02Å; F534-Y549 HydrophobicContact CG-CD1 4.39Å; F534-Y549 HydrophobicContact CG-CG 4.36Å; F534-E551 CarbonylContact C-O 3.54Å; F534-E551 WeakPolarHBondContact CA-O 3.19Å
535Q90.2Very high79.7Confident59 Ų5998.5 Ų98.528%0.27647%0.467SS..EExtended strand (participates in β ladder)trans-73.5114.9178.3-176.364.97.400109.4Y533 Y549 V550 E551 W553Y533-Q535 PolarHBondContact OH-OE1 3.49Å; Q535-Y549 WeakPolarHBondContact O-CA 3.4Å; Q535-V550 PolarHBondContact O-N 2.83Å; Q535-E551 HydrophobicContact CB-CG 3.7Å; Q535-E551 HydrophobicContact CG-CG 4.39Å; Q535-E551 PolarHBondContact N-O 2.87Å; Q535-W553 HydrophobicContact CB-CZ3 4.26Å
536R87.9Confident78.3Confident159 Ų15996.1 Ų96.160%0.646%0.459SS*.EExtended strand (participates in β ladder)trans-89.1116.6179-167.5179.4-171-157.8-9.5109.3F534 S547 R548 Y549F534-R536 PolarHBondContact O-N 2.86Å; R536-S547 VanDerWaalsContact CZ-CB 3.41Å; R536-S547 VanDerWaalsContact CZ-OG 3.28Å; R536-S547 PolarHBondContact NE-OG 3.21Å; R536-S547 PolarHBondContact NH2-OG 2.92Å; R536-R548 WeakPolarHBondContact CA-O 3.46Å; R536-Y549 HydrophobicContact CB-CD1 4.22Å; R536-Y549 HydrophobicContact CB-CE1 4.12Å; R536-Y549 HydrophobicContact CG-CE1 4.32Å
537E81.1Confident77Confident100 Ų10092.5 Ų92.547%0.46745%0.451SS..EExtended strand (participates in β ladder)trans-96.9126.7169.6-171.4179.8-162.100109.5V539 R548 V550E537-V539 HydrophobicContact CG-CG2 4.37Å; E537-V539 PolarHBondContact O-N 3.08Å; E537-R548 PolarHBondContact N-O 2.98Å; E537-R548 PolarHBondContact O-N 3.33Å; E537-R548 VanDerWaalsContact O-N 3.11Å; E537-V550 HydrophobicContact CB-CG2 3.42Å; E537-V550 VanDerWaalsContact CB-CG2 3.42Å; E537-V550 HydrophobicContact CG-CG2 4.3Å; E537-V550 WeakPolarHBondContact OE2-CG2 3.38Å
538A71.1Confident76.4Confident67 Ų6796.2 Ų96.255%0.55446%0.458SS*.EExtended strand (participates in β ladder)trans-9093174.400000109R540A538-R540 PolarHBondContact O-N 3.41Å; A538-R540 VanDerWaalsContact O-N 3.15Å
539V66.7Low76.2Confident53 Ų5393.6 Ų93.632%0.32144%0.444SS..EExtended strand (participates in β ladder)trans-76.3104172.5-175.50000107.9E537 K541E537-V539 HydrophobicContact CG-CG2 4.37Å; E537-V539 PolarHBondContact O-N 3.08Å; V539-K541 PolarHBondContact O-N 3.07Å
540R55.9Low75.9Confident232 Ų23295.6 Ų95.688%0.87546%0.456SS*.EExtended strand (participates in β ladder)trans-69.8107.5173.6-75.6-176171.5169.9-1.4109A538A538-R540 PolarHBondContact O-N 3.41Å; A538-R540 VanDerWaalsContact O-N 3.15Å
541K60Low76Confident138 Ų13897 Ų9760%0.646%0.457SS*.EExtended strand (participates in β ladder)trans-97156.6161.9-69-171.8175.1-173.30109.4V539 R543 G544V539-K541 PolarHBondContact O-N 3.07Å; K541-R543 PolarHBondContact O-N 3.25Å; K541-G544 PolarHBondContact N-O 3.4Å; K541-G544 PolarHBondContact O-N 3.09Å
542E58Low76Confident207 Ų20791.3 Ų91.397%0.96744%0.435SS*.THydrogen-bonded Turntrans-55-25.3176.4-67.5-179.3162.600113.1
543R55.2Low76Confident250 Ų25091.2 Ų91.294%0.94343%0.433SS*.THydrogen-bonded Turntrans-119.958.8178.6-69.2-174.4175-177.4-1.1112.6K541K541-R543 PolarHBondContact O-N 3.25Å
544G53.9Low76.1Confident46 Ų4688.2 Ų88.247%0.47442%0.422SS..EExtended strand (participates in β ladder)trans10416117100000114.8K541K541-G544 PolarHBondContact N-O 3.4Å; K541-G544 PolarHBondContact O-N 3.09Å
545S57.6Low76.2Confident78 Ų7888.5 Ų88.555%0.54542%0.423SS..EExtended strand (participates in β ladder)trans-96.2108.7177.3-177.10000109.1
546I62.3Low76.5Confident112 Ų11285.8 Ų85.857%0.57441%0.41SS*.EExtended strand (participates in β ladder)trans-88.5114.5166.3-59.8172.8000105.7
547S66.3Low76.8Confident42 Ų4282.8 Ų82.829%0.29440%0.402SS..EExtended strand (participates in β ladder)trans-82.6128.7173.563.30000111.3R536R536-S547 VanDerWaalsContact CZ-CB 3.41Å; R536-S547 VanDerWaalsContact CZ-OG 3.28Å; R536-S547 PolarHBondContact NE-OG 3.21Å; R536-S547 PolarHBondContact NH2-OG 2.92Å
548R80.8Confident77.5Confident97 Ų9781.2 Ų81.237%0.36640%0.396SS..EExtended strand (participates in β ladder)trans-116.2144.1178.9172.6-177.4-67-166.7-11.7108.6Y512 R536 E537Y512-R548 HydrophobicContact CD1-CG 3.93Å; Y512-R548 VanDerWaalsContact CE1-CD 3.41Å; Y512-R548 HydrophobicContact CE1-CG 3.87Å; Y512-R548 PolarHBondContact OH-NH1 3.44Å; Y512-R548 VanDerWaalsContact OH-NH1 3.08Å; Y512-R548 PolarHBondContact OH-NH2 3.46Å; R536-R548 WeakPolarHBondContact CA-O 3.46Å; E537-R548 PolarHBondContact N-O 2.98Å; E537-R548 PolarHBondContact O-N 3.33Å; E537-R548 VanDerWaalsContact O-N 3.11Å
549Y89.5Confident78.6Confident71 Ų7182 Ų8228%0.27839%0.387SS..EExtended strand (participates in β ladder)trans-86.5123.7165.5-60.8-62.4000108.2F534 Q535 R536F534-Y549 HydrophobicContact CB-CD1 3.41Å; F534-Y549 VanDerWaalsContact CB-CD1 3.41Å; F534-Y549 HydrophobicContact CB-CE1 3.9Å; F534-Y549 HydrophobicContact CB-CG 3.8Å; F534-Y549 HydrophobicContact CD2-CD1 4.37Å; F534-Y549 HydrophobicContact CD2-CD2 4.06Å; F534-Y549 HydrophobicContact CD2-CE2 4.45Å; F534-Y549 HydrophobicContact CD2-CG 4.02Å; F534-Y549 HydrophobicContact CG-CD1 4.39Å; F534-Y549 HydrophobicContact CG-CG 4.36Å; Q535-Y549 WeakPolarHBondContact O-CA 3.4Å; R536-Y549 HydrophobicContact CB-CD1 4.22Å; R536-Y549 HydrophobicContact CB-CE1 4.12Å; R536-Y549 HydrophobicContact CG-CE1 4.32Å
550V88.8Confident79.9Confident55 Ų5582.5 Ų82.533%0.33339%0.393SS..EExtended strand (participates in β ladder)trans-86.9-52.6-178.9178.20000109.3Q535 E537Q535-V550 PolarHBondContact O-N 2.83Å; E537-V550 HydrophobicContact CB-CG2 3.42Å; E537-V550 VanDerWaalsContact CB-CG2 3.42Å; E537-V550 HydrophobicContact CG-CG2 4.3Å; E537-V550 WeakPolarHBondContact OE2-CG2 3.38Å
551E92.4Very high81.8Confident53 Ų5372.3 Ų72.325%0.24836%0.357CS..EExtended strand (participates in β ladder)trans-143165.1-174.359179.917500110.8Y506 L507 I510 F534 Q535 W553Y506-E551 HydrophobicContact CE2-CB 3.94Å; Y506-E551 HydrophobicContact CE2-CG 4.49Å; Y506-E551 WeakPolarHBondContact CE2-OE2 3.34Å; Y506-E551 PolarHBondContact OH-OE2 3.48Å; L507-E551 CarbonylContact O-C 3.54Å; L507-E551 VanDerWaalsContact O-CA 3.27Å; L507-E551 WeakPolarHBondContact O-CA 3.32Å; L507-E551 WeakPolarHBondContact O-CB 3.33Å; I510-E551 VanDerWaalsContact CD1-C 3.45Å; I510-E551 WeakPolarHBondContact CD1-O 3.34Å; F534-E551 CarbonylContact C-O 3.54Å; F534-E551 WeakPolarHBondContact CA-O 3.19Å; Q535-E551 HydrophobicContact CB-CG 3.7Å; Q535-E551 HydrophobicContact CG-CG 4.39Å; Q535-E551 PolarHBondContact N-O 2.87Å; E551-W553 HydrophobicContact CG-CH2 3.68Å; E551-W553 HydrophobicContact CG-CZ3 3.89Å; E551-W553 WeakPolarHBondContact OE1-CH2 3.44Å
552G94.5Very high83.5Confident0 Ų065.8 Ų65.80%033%0.328CS..EExtended strand (participates in β ladder)trans-154.8158.5-176.100000115.4Y506 L507 Y533Y506-G552 CarbonylContact C-O 3.48Å; Y506-G552 WeakPolarHBondContact CA-O 3.28Å; Y506-G552 WeakPolarHBondContact CD2-O 3.18Å; L507-G552 PolarHBondContact N-O 3.41Å; L507-G552 PolarHBondContact O-N 3.4Å; Y533-G552 CarbonylContact O-C 3.59Å; Y533-G552 WeakPolarHBondContact O-CA 3.36Å
553W95.9Very high85.3Confident22 Ų2260.3 Ų60.38%0.08330%0.302CS..EExtended strand (participates in β ladder)trans-129.3131.6176.7-61.7-102.5000109.5I504 V505 Y506 I532 Y533 Q535 E551 W597 L600I504-W553 HydrophobicContact CG2-CB 4.16Å; V505-W553 CarbonylContact O-C 3.59Å; V505-W553 WeakPolarHBondContact O-CA 3.36Å; Y506-W553 AromaticContact CD2-CD1 3.96Å; Y506-W553 HydrophobicContact CD2-CD2 4.19Å; Y506-W553 AromaticContact CD2-CE2 3.66Å; Y506-W553 HydrophobicContact CD2-CG 4.38Å; Y506-W553 HydrophobicContact CD2-CZ2 4.08Å; Y506-W553 AromaticContact CD2-NE1 3.49Å; Y506-W553 AromaticContact CE2-CE2 3.87Å; Y506-W553 HydrophobicContact CE2-CH2 4.42Å; Y506-W553 AromaticContact CE2-CZ2 3.79Å; Y506-W553 HydrophobicContact CE2-CZ2 3.79Å; I532-W553 WeakPolarHBondContact CA-O 3.23Å; Y533-W553 AromaticContact CD1-CE3 3.56Å; Y533-W553 HydrophobicContact CD1-CE3 3.56Å; Y533-W553 AromaticContact CD1-CZ3 3.66Å; Y533-W553 HydrophobicContact CD1-CZ3 3.66Å; Y533-W553 HydrophobicContact CE1-CE3 4.28Å; Y533-W553 AromaticContact CE1-CZ3 3.9Å; Y533-W553 HydrophobicContact CE1-CZ3 3.9Å; Y533-W553 PolarHBondContact N-O 3.41Å; Y533-W553 PolarHBondContact O-N 2.98Å; Q535-W553 HydrophobicContact CB-CZ3 4.26Å; E551-W553 HydrophobicContact CG-CH2 3.68Å; E551-W553 HydrophobicContact CG-CZ3 3.89Å; E551-W553 WeakPolarHBondContact OE1-CH2 3.44Å; W553-W597 HydrophobicContact CB-CZ3 4.31Å; W553-L600 HydrophobicContact CB-CD2 3.76Å; W553-L600 HydrophobicContact CD2-CD1 3.69Å; W553-L600 HydrophobicContact CD2-CD2 3.73Å; W553-L600 HydrophobicContact CD2-CG 4.37Å; W553-L600 VanDerWaalsContact CE2-CD1 3.47Å; W553-L600 HydrophobicContact CE3-CD1 4.06Å; W553-L600 HydrophobicContact CE3-CD2 4.06Å; W553-L600 HydrophobicContact CG-CD1 4.21Å; W553-L600 HydrophobicContact CG-CD2 3.61Å; W553-L600 HydrophobicContact CH2-CD1 3.99Å; W553-L600 HydrophobicContact CZ2-CD1 3.65Å; W553-L600 HydrophobicContact CZ3-CD1 4.2Å
554I96.3Very high87.2Confident0 Ų056.2 Ų56.20%029%0.286CS..EExtended strand (participates in β ladder)trans-121.5123.4179.2-59173.9000108I504 V505 L507 V519 F523 I529 I532 F556I504-I554 CarbonylContact C-O 3.59Å; I504-I554 WeakPolarHBondContact CA-O 3.47Å; V505-I554 PolarHBondContact N-O 3.35Å; V505-I554 PolarHBondContact O-N 2.91Å; L507-I554 HydrophobicContact CD1-CD1 3.71Å; L507-I554 HydrophobicContact CD1-CG1 4.39Å; L507-I554 HydrophobicContact CG-CD1 4.23Å; V519-I554 HydrophobicContact CG1-CD1 3.6Å; F523-I554 HydrophobicContact CD1-CD1 3.93Å; F523-I554 HydrophobicContact CD2-CD1 4.2Å; F523-I554 HydrophobicContact CE1-CD1 3.99Å; F523-I554 HydrophobicContact CE2-CD1 4.23Å; F523-I554 HydrophobicContact CG-CD1 4.05Å; F523-I554 HydrophobicContact CZ-CD1 4.13Å; I529-I554 HydrophobicContact CG2-CG2 3.84Å; I532-I554 HydrophobicContact CG1-CG1 4.45Å; I532-I554 HydrophobicContact CG1-CG2 4.36Å; I532-I554 HydrophobicContact CG2-CG1 4.18Å; I554-F556 HydrophobicContact CG2-CD2 4.29Å; I554-F556 HydrophobicContact CG2-CE2 4.02Å
555E96.5Very high89.2Confident18 Ų1854.1 Ų54.18%0.08426%0.264CS..EExtended strand (participates in β ladder)trans-94.5119.5173.4-179.3-176.5-132.900110P502 I504 I529 G530 R531 W597P502-E555 HydrophobicContact CB-CG 4.08Å; I504-E555 HydrophobicContact CG1-CB 4.35Å; I504-E555 HydrophobicContact CG1-CG 4.47Å; I529-E555 WeakPolarHBondContact CG2-O 3.33Å; G530-E555 PolarHBondContact N-O 3.48Å; R531-E555 HydrophobicContact CB-CB 4.36Å; R531-E555 WeakPolarHBondContact CB-OE2 3.49Å; R531-E555 WeakPolarHBondContact CG-OE2 3.35Å; R531-E555 IonicContact CZ-OE1 2.6Å; R531-E555 IonicContact CZ-OE2 2.75Å; R531-E555 PolarHBondContact N-OE2 2.92Å; R531-E555 IonicContact NE-OE1 3.73Å; R531-E555 IonicContact NE-OE2 3.15Å; R531-E555 PolarHBondContact NE-OE2 3.15Å; R531-E555 IonicContact NH2-OE1 2.88Å; R531-E555 PolarHBondContact NH2-OE1 2.99Å; R531-E555 IonicContact NH2-OE2 3.57Å; R531-E555 PolarHBondContact NH2-OE2 2.99Å; R531-E555 PolarHBondContact O-N 2.92Å; E555-W597 HydrophobicContact CB-CE3 3.95Å; E555-W597 HydrophobicContact CB-CZ3 4.09Å
556F96.7Very high91Very high1 Ų150.8 Ų50.80%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-90.7142.9164.8-77.2-87.3000109.6P502 G503 V505 F523 I529 I554 D558 V561 A562 V565P502-F556 VanDerWaalsContact CA-O 3.28Å; P502-F556 WeakPolarHBondContact CA-O 3.46Å; G503-F556 PolarHBondContact N-O 3.44Å; G503-F556 PolarHBondContact O-N 2.76Å; V505-F556 HydrophobicContact CG2-CD2 3.93Å; V505-F556 HydrophobicContact CG2-CE2 4Å; F523-F556 HydrophobicContact CB-CZ 4.1Å; F523-F556 HydrophobicContact CD1-CE2 4.08Å; F523-F556 AromaticContact CD1-CZ 3.81Å; F523-F556 HydrophobicContact CD1-CZ 3.81Å; F523-F556 HydrophobicContact CG-CZ 4.46Å; I529-F556 HydrophobicContact CG1-CE1 4.18Å; I554-F556 HydrophobicContact CG2-CD2 4.29Å; I554-F556 HydrophobicContact CG2-CE2 4.02Å; F556-D558 PolarHBondContact O-N 3.14Å; F556-V561 HydrophobicContact CD1-CG1 3.79Å; F556-V561 HydrophobicContact CE1-CG1 4.01Å; F556-V561 HydrophobicContact CG-CG1 4.43Å; F556-A562 HydrophobicContact CB-CB 4.05Å; F556-A562 HydrophobicContact CD2-CB 4.07Å; F556-A562 HydrophobicContact CG-CB 4.35Å; F556-V565 HydrophobicContact CE1-CG2 4.28Å; F556-V565 HydrophobicContact CE2-CB 4.29Å; F556-V565 HydrophobicContact CE2-CG1 4.05Å; F556-V565 HydrophobicContact CE2-CG2 4.38Å; F556-V565 HydrophobicContact CZ-CB 4.23Å; F556-V565 HydrophobicContact CZ-CG1 3.95Å; F556-V565 HydrophobicContact CZ-CG2 3.88Å
557K94.4Very high92.5Very high97 Ų9752.5 Ų52.542%0.42225%0.251SS..SBendtrans-61.6-28.5174.4-67.9-160.2-172.5171.90112.8E501 P502 E528E501-K557 CarbonylContact C-O 3.52Å; P502-K557 WeakPolarHBondContact CA-O 3.2Å; E528-K557 HydrophobicContact CB-CD 4.22Å; E528-K557 HydrophobicContact CB-CG 4.29Å; E528-K557 HydrophobicContact CG-CD 4Å; E528-K557 HydrophobicContact CG-CG 4.36Å; E528-K557 PolarHBondContact O-N 3.01Å; E528-K557 VanDerWaalsContact OE1-CE 3.23Å; E528-K557 WeakPolarHBondContact OE1-CE 3.42Å; E528-K557 IonicContact OE1-NZ 3.95Å; E528-K557 PolarHBondContact OE1-NZ 3.26Å; E528-K557 VanDerWaalsContact OE2-CD 3.25Å; E528-K557 WeakPolarHBondContact OE2-CD 3.35Å; E528-K557 VanDerWaalsContact OE2-CE 3.31Å; E528-K557 WeakPolarHBondContact OE2-CE 3.28Å; E528-K557 IonicContact OE2-NZ 2.69Å; E528-K557 PolarHBondContact OE2-NZ 2.81Å
558D94Very high93.8Very high67 Ų6754 Ų5436%0.35826%0.261SS..  trans-114.3120.5179.1-66.3-23.7000112.2S500 F556 S560 V561 A562S500-D558 WeakPolarHBondContact CB-OD1 3.31Å; S500-D558 WeakPolarHBondContact OG-CA 3.5Å; S500-D558 VanDerWaalsContact OG-CG 3.3Å; S500-D558 PolarHBondContact OG-OD1 2.94Å; F556-D558 PolarHBondContact O-N 3.14Å; D558-S560 PolarHBondContact O-N 2.89Å; D558-V561 HydrophobicContact CB-CB 4.09Å; D558-V561 HydrophobicContact CB-CG2 3.74Å; D558-V561 PolarHBondContact O-N 3.44Å; D558-A562 PolarHBondContact O-N 2.87Å
559K94.6Very high94.3Very high82 Ų8250 Ų5036%0.35725%0.247SC..Hα-helixtrans-61.6-28.9176.369178.4174.9-168.10114.1E501 A562 K563E501-K559 HydrophobicContact CB-CD 4.18Å; E501-K559 WeakPolarHBondContact O-CB 3.28Å; E501-K559 PolarHBondContact O-N 3.15Å; E501-K559 IonicContact OE2-NZ 3.69Å; E501-K559 PolarHBondContact OE2-NZ 3.48Å; K559-A562 PolarHBondContact O-N 2.7Å; K559-K563 WeakPolarHBondContact O-CG 3.34Å; K559-K563 PolarHBondContact O-N 3.36Å
560S94.1Very high94.5Very high65 Ų6549.2 Ų49.246%0.45525%0.247SC..Hα-helixtrans-67.7-41.2177.353.80000111D558 K563 R564D558-S560 PolarHBondContact O-N 2.89Å; S560-K563 PolarHBondContact O-N 3.03Å; S560-R564 PolarHBondContact O-N 3.37Å
561V95.4Very high94.6Very high18 Ų1852 Ų5211%0.10926%0.261CS..Hα-helixtrans-65.1-46.8173.6178.90000109.8Y526 F556 D558 K563 R564 V565Y526-V561 VanDerWaalsContact O-CG1 3.31Å; Y526-V561 WeakPolarHBondContact O-CG1 3.15Å; F556-V561 HydrophobicContact CD1-CG1 3.79Å; F556-V561 HydrophobicContact CE1-CG1 4.01Å; F556-V561 HydrophobicContact CG-CG1 4.43Å; D558-V561 HydrophobicContact CB-CB 4.09Å; D558-V561 HydrophobicContact CB-CG2 3.74Å; D558-V561 PolarHBondContact O-N 3.44Å; V561-K563 VanDerWaalsContact C-N 3.31Å; V561-K563 PolarHBondContact O-N 3.24Å; V561-R564 PolarHBondContact O-N 3Å; V561-R564 VanDerWaalsContact O-N 3.14Å; V561-V565 HydrophobicContact CG1-CG2 3.97Å; V561-V565 WeakPolarHBondContact O-CB 3.48Å; V561-V565 VanDerWaalsContact O-CG2 3.25Å; V561-V565 WeakPolarHBondContact O-CG2 3.36Å; V561-V565 PolarHBondContact O-N 3.28Å
562A95.8Very high94.5Very high0 Ų051.9 Ų51.90%026%0.263CS..Hα-helixtrans-53.1-46.3176.400000112.8V505 F556 D558 K559 A566 Y591V505-A562 HydrophobicContact CG2-CB 3.89Å; F556-A562 HydrophobicContact CB-CB 4.05Å; F556-A562 HydrophobicContact CD2-CB 4.07Å; F556-A562 HydrophobicContact CG-CB 4.35Å; D558-A562 PolarHBondContact O-N 2.87Å; K559-A562 PolarHBondContact O-N 2.7Å; A562-A566 WeakPolarHBondContact O-CB 3.41Å; A562-A566 PolarHBondContact O-N 3.42Å; A562-Y591 HydrophobicContact CB-CD2 3.8Å; A562-Y591 HydrophobicContact CB-CE2 3.89Å
563K95.8Very high94.3Very high93 Ų9357.3 Ų57.340%0.40429%0.289SS..Hα-helixtrans-63-47176.9-76-179.9177.6-170.20112.2K559 S560 V561 A566 L567 Y591K559-K563 WeakPolarHBondContact O-CG 3.34Å; K559-K563 PolarHBondContact O-N 3.36Å; S560-K563 PolarHBondContact O-N 3.03Å; V561-K563 VanDerWaalsContact C-N 3.31Å; V561-K563 PolarHBondContact O-N 3.24Å; K563-A566 PolarHBondContact O-N 3.03Å; K563-L567 WeakPolarHBondContact O-CG 3.48Å; K563-L567 PolarHBondContact O-N 3.01Å; K563-Y591 HydrophobicContact CD-CE1 4.15Å; K563-Y591 VanDerWaalsContact CE-CE1 3.41Å; K563-Y591 HydrophobicContact CG-CD1 3.66Å; K563-Y591 HydrophobicContact CG-CD2 4.04Å; K563-Y591 HydrophobicContact CG-CE1 3.63Å; K563-Y591 HydrophobicContact CG-CE2 4.02Å; K563-Y591 HydrophobicContact CG-CG 3.86Å
564R95.7Very high93.8Very high163 Ų16357 Ų5762%0.61529%0.289SS*.Hα-helixtrans-61.2-46.8178.8-170.7-171.1-60153.1-0.1110.8S560 V561 A566 L567 S568S560-R564 PolarHBondContact O-N 3.37Å; V561-R564 PolarHBondContact O-N 3Å; V561-R564 VanDerWaalsContact O-N 3.14Å; R564-A566 PolarHBondContact O-N 2.97Å; R564-L567 PolarHBondContact O-N 3.03Å; R564-S568 WeakPolarHBondContact O-CB 3.49Å; R564-S568 PolarHBondContact O-N 3.39Å; R564-S568 PolarHBondContact O-OG 3.34Å; R564-S568 VanDerWaalsContact O-OG 3.07Å
565V95.4Very high92.9Very high3 Ų358.2 Ų58.22%0.01830%0.302CS..Hα-helixtrans-60.8-46.6179.3172.10000111.2F523 Y526 F556 V561 L567 S568 L569F523-V565 HydrophobicContact CD1-CG1 3.87Å; F523-V565 HydrophobicContact CE1-CG1 3.83Å; Y526-V565 VanDerWaalsContact CB-CG2 3.45Å; Y526-V565 HydrophobicContact CD1-CG2 4.34Å; Y526-V565 HydrophobicContact CG-CG2 3.94Å; F556-V565 HydrophobicContact CE1-CG2 4.28Å; F556-V565 HydrophobicContact CE2-CB 4.29Å; F556-V565 HydrophobicContact CE2-CG1 4.05Å; F556-V565 HydrophobicContact CE2-CG2 4.38Å; F556-V565 HydrophobicContact CZ-CB 4.23Å; F556-V565 HydrophobicContact CZ-CG1 3.95Å; F556-V565 HydrophobicContact CZ-CG2 3.88Å; V561-V565 HydrophobicContact CG1-CG2 3.97Å; V561-V565 WeakPolarHBondContact O-CB 3.48Å; V561-V565 VanDerWaalsContact O-CG2 3.25Å; V561-V565 WeakPolarHBondContact O-CG2 3.36Å; V561-V565 PolarHBondContact O-N 3.28Å; V565-L567 VanDerWaalsContact C-N 3.33Å; V565-L567 PolarHBondContact O-N 3.22Å; V565-S568 PolarHBondContact O-N 3.38Å; V565-L569 HydrophobicContact CG1-CD1 3.7Å; V565-L569 HydrophobicContact CG1-CG 4.31Å; V565-L569 WeakPolarHBondContact O-CB 3.42Å; V565-L569 PolarHBondContact O-N 3.35Å
566A95.3Very high92.1Very high7 Ų760.2 Ų60.26%0.05833%0.328CS..Hα-helixtrans-61.2-41177.200000112.2A562 K563 R564 N570 I589A562-A566 WeakPolarHBondContact O-CB 3.41Å; A562-A566 PolarHBondContact O-N 3.42Å; K563-A566 PolarHBondContact O-N 3.03Å; R564-A566 PolarHBondContact O-N 2.97Å; A566-N570 WeakPolarHBondContact O-CB 3.38Å; A566-N570 PolarHBondContact O-N 3.05Å; A566-I589 HydrophobicContact CB-CG2 4.26Å
567L94.1Very high91.3Very high148 Ų14870.6 Ų70.678%0.77537%0.367SS*.Hα-helixtrans-70.2-38.9177.4-70.9170000112.9K563 R564 V565K563-L567 WeakPolarHBondContact O-CG 3.48Å; K563-L567 PolarHBondContact O-N 3.01Å; R564-L567 PolarHBondContact O-N 3.03Å; V565-L567 VanDerWaalsContact C-N 3.33Å; V565-L567 PolarHBondContact O-N 3.22Å
568S93.1Very high90.7Very high73 Ų7374.1 Ų74.151%0.5138%0.382SS..Hα-helixtrans-80.6-36-175.8-62.70000113.8R564 V565 T572R564-S568 WeakPolarHBondContact O-CB 3.49Å; R564-S568 PolarHBondContact O-N 3.39Å; R564-S568 PolarHBondContact O-OG 3.34Å; R564-S568 VanDerWaalsContact O-OG 3.07Å; V565-S568 PolarHBondContact O-N 3.38Å; S568-T572 VanDerWaalsContact O-CG2 3.3Å; S568-T572 WeakPolarHBondContact O-CG2 3.23Å
569L92.6Very high90.2Very high13 Ų1382.5 Ų82.57%0.06841%0.409CS..Hα-helixtrans-94.9-20.8-175.2-72.7-176.9000113.8F523 Y526 V565 N571 T572 W587 I589F523-L569 HydrophobicContact CD1-CD1 4.28Å; F523-L569 HydrophobicContact CE1-CD1 3.78Å; F523-L569 HydrophobicContact CZ-CD1 3.94Å; Y526-L569 HydrophobicContact CD2-CD1 4.23Å; Y526-L569 HydrophobicContact CE1-CD2 4.49Å; Y526-L569 HydrophobicContact CE2-CD1 3.81Å; Y526-L569 HydrophobicContact CE2-CD2 4.26Å; Y526-L569 HydrophobicContact CE2-CG 4.39Å; Y526-L569 WeakPolarHBondContact OH-CD2 3.42Å; V565-L569 HydrophobicContact CG1-CD1 3.7Å; V565-L569 HydrophobicContact CG1-CG 4.31Å; V565-L569 WeakPolarHBondContact O-CB 3.42Å; V565-L569 PolarHBondContact O-N 3.35Å; L569-N571 PolarHBondContact O-N 3.49Å; L569-T572 WeakPolarHBondContact CA-OG1 3.31Å; L569-T572 WeakPolarHBondContact O-CB 2.97Å; L569-T572 PolarHBondContact O-N 2.6Å; L569-T572 VanDerWaalsContact O-N 3.1Å; L569-T572 PolarHBondContact O-OG1 3.24Å; L569-W587 VanDerWaalsContact O-CB 3.26Å; L569-W587 WeakPolarHBondContact O-CB 3.37Å; L569-I589 HydrophobicContact CB-CD1 3.74Å; L569-I589 HydrophobicContact CD1-CD1 4.39Å
570N92.8Very high89.4Confident55 Ų5581 Ų8129%0.29441%0.408SS..THydrogen-bonded Turntrans-60.6135.1179-17350.4000110.8A566 T572 I589A566-N570 WeakPolarHBondContact O-CB 3.38Å; A566-N570 PolarHBondContact O-N 3.05Å; N570-T572 PolarHBondContact O-N 3.28Å; N570-I589 HydrophobicContact CB-CB 4.32Å; N570-I589 VanDerWaalsContact CG-O 3.3Å; N570-I589 PolarHBondContact OD1-N 2.73Å; N570-I589 PolarHBondContact OD1-O 3.05Å
571N90.8Very high88.8Confident115 Ų11588.5 Ų88.562%0.61543%0.427SS*.THydrogen-bonded Turntrans61.518.3-174.7-58.7-31.6000115.7L569 W587L569-N571 PolarHBondContact O-N 3.49Å; N571-W587 WeakPolarHBondContact CA-O 3.39Å; N571-W587 PolarHBondContact N-O 3.15Å
572T91.8Very high88.1Confident49 Ų4987.8 Ų87.830%0.30142%0.422SS..  trans-95.9154.3171.966.20000111.4S568 L569 N570 L586 W587S568-T572 VanDerWaalsContact O-CG2 3.3Å; S568-T572 WeakPolarHBondContact O-CG2 3.23Å; L569-T572 WeakPolarHBondContact CA-OG1 3.31Å; L569-T572 WeakPolarHBondContact O-CB 2.97Å; L569-T572 PolarHBondContact O-N 2.6Å; L569-T572 VanDerWaalsContact O-N 3.1Å; L569-T572 PolarHBondContact O-OG1 3.24Å; N570-T572 PolarHBondContact O-N 3.28Å; T572-L586 WeakPolarHBondContact O-CA 3.22Å; T572-W587 WeakPolarHBondContact O-CB 3.43Å; T572-W587 PolarHBondContact O-N 3.41Å
573Q90.3Very high87.5Confident115 Ų11590.7 Ų90.754%0.53743%0.434SS..BIsolated β-bridgetrans-66.9141.2172.8-68.4176.9-1.900110.2G575 L586Q573-G575 PolarHBondContact O-N 2.89Å; Q573-G575 VanDerWaalsContact O-N 3.11Å; Q573-L586 HydrophobicContact CB-CD2 4.44Å; Q573-L586 HydrophobicContact CG-CD2 3.67Å
574V84.7Confident87Confident14 Ų1494.4 Ų94.49%0.08545%0.453CS..  trans-57.7-28.8177.4173.60000112P511 L514 L522 A582 S585 W587P511-V574 HydrophobicContact CG-CG2 3.92Å; L514-V574 HydrophobicContact CD1-CG1 4.15Å; L522-V574 HydrophobicContact CD1-CG1 4.39Å; V574-A582 HydrophobicContact CG1-CB 4.17Å; V574-S585 VanDerWaalsContact CG2-O 3.31Å; V574-S585 WeakPolarHBondContact CG2-O 3.17Å; V574-S585 PolarHBondContact N-O 2.82Å; V574-W587 HydrophobicContact CB-CZ2 4.21Å; V574-W587 HydrophobicContact CG1-CH2 4.38Å; V574-W587 HydrophobicContact CG1-CZ2 3.72Å; V574-W587 HydrophobicContact CG2-CD2 3.76Å; V574-W587 HydrophobicContact CG2-CE3 4.2Å; V574-W587 HydrophobicContact CG2-CG 4.15Å; V574-W587 HydrophobicContact CG2-CH2 4.31Å; V574-W587 HydrophobicContact CG2-CZ2 3.88Å; V574-W587 HydrophobicContact CG2-CZ3 4.45Å
575G77.9Confident86.7Confident27 Ų2788.6 Ų88.628%0.27844%0.437SS..  trans74.1-165.4177.700000113.1Q573Q573-G575 PolarHBondContact O-N 2.89Å; Q573-G575 VanDerWaalsContact O-N 3.11Å
576G78.3Confident86.5Confident60 Ų6093.1 Ų93.162%0.61946%0.46SS*.SBendtrans97.8-163.2-172.300000113Y583G576-Y583 WeakPolarHBondContact O-CD2 3.43Å
577R80.7Confident86.3Confident219 Ų21993.1 Ų93.183%0.82646%0.459SS*.  trans-66.8138.5-179.3-63.2-179.1-179.8-179.3-0.6109.9R579 S580R577-R579 PolarHBondContact O-N 2.94Å; R577-S580 WeakPolarHBondContact O-CB 3.13Å; R577-S580 PolarHBondContact O-N 3.35Å
578K82.4Confident86.2Confident171 Ų17189.7 Ų89.774%0.74344%0.442SS*.THydrogen-bonded Turntrans-53.2-23.7177.6-69.1-171175.2-175.70114.6S580 Y583K578-S580 VanDerWaalsContact C-N 3.34Å; K578-Y583 HydrophobicContact CB-CE1 4.48Å; K578-Y583 HydrophobicContact CG-CE1 4.03Å; K578-Y583 HydrophobicContact CG-CE2 4.08Å
579R82.4Confident86.2Confident243 Ų24386.5 Ų86.592%0.91742%0.419SS*.THydrogen-bonded Turntrans-81-8.7176.7-60.5-175.8-172.8158.82114.1R577R577-R579 PolarHBondContact O-N 2.94Å
580S78.9Confident86.4Confident50 Ų5092.4 Ų92.435%0.3544%0.444SS..SBendtrans-72.5135.2-179.3-179.30000110.4R577 K578 A582 Y583R577-S580 WeakPolarHBondContact O-CB 3.13Å; R577-S580 PolarHBondContact O-N 3.35Å; K578-S580 VanDerWaalsContact C-N 3.34Å; S580-A582 PolarHBondContact O-N 3.41Å; S580-A582 VanDerWaalsContact O-N 3.13Å; S580-A582 PolarHBondContact OG-N 2.87Å; S580-Y583 WeakPolarHBondContact O-CB 3.44Å; S580-Y583 PolarHBondContact O-N 3.48Å
581R80Confident86.5Confident223 Ų22392 Ų9284%0.84244%0.438SS*.THydrogen-bonded Turntrans-63.8-18.2177.3-6417881137.24113.5
582A81.1Confident86.7Confident2 Ų288.1 Ų88.12%0.01742%0.418CS..THydrogen-bonded Turntrans-89.2-6.8175.100000113.5P511 C513 L514 V574 S580 E584 S585P511-A582 HydrophobicContact CB-CB 3.88Å; P511-A582 HydrophobicContact CG-CB 4.45Å; C513-A582 VanDerWaalsContact SG-CB 3.53Å; L514-A582 HydrophobicContact CG-CB 4.41Å; V574-A582 HydrophobicContact CG1-CB 4.17Å; S580-A582 PolarHBondContact O-N 3.41Å; S580-A582 VanDerWaalsContact O-N 3.13Å; S580-A582 PolarHBondContact OG-N 2.87Å; A582-E584 VanDerWaalsContact C-N 3.31Å; A582-E584 PolarHBondContact O-N 2.88Å; A582-S585 WeakPolarHBondContact O-CB 3.39Å; A582-S585 PolarHBondContact O-N 3.37Å
583Y84.1Confident86.8Confident62 Ų6291.6 Ų91.624%0.24343%0.43CS..THydrogen-bonded Turntrans-58.5-42.1-171.8-179.7-103.2000112.7G576 K578 S580 S585G576-Y583 WeakPolarHBondContact O-CD2 3.43Å; K578-Y583 HydrophobicContact CB-CE1 4.48Å; K578-Y583 HydrophobicContact CG-CE1 4.03Å; K578-Y583 HydrophobicContact CG-CE2 4.08Å; S580-Y583 WeakPolarHBondContact O-CB 3.44Å; S580-Y583 PolarHBondContact O-N 3.48Å; Y583-S585 VanDerWaalsContact C-N 3.33Å
584E85.4Confident86.8Confident171 Ų17195.9 Ų95.980%0.79944%0.441SS*.THydrogen-bonded Turntrans-83.4-8.1-179.7-62.4177173.500113.4A582A582-E584 VanDerWaalsContact C-N 3.31Å; A582-E584 PolarHBondContact O-N 2.88Å
585S87.9Confident87.3Confident40 Ų4097.3 Ų97.328%0.2845%0.447SS..PPolyproline II helixtrans-78.1136.6-179.5-57.70000110.7V574 A582 Y583V574-S585 VanDerWaalsContact CG2-O 3.31Å; V574-S585 WeakPolarHBondContact CG2-O 3.17Å; V574-S585 PolarHBondContact N-O 2.82Å; A582-S585 WeakPolarHBondContact O-CB 3.39Å; A582-S585 PolarHBondContact O-N 3.37Å; Y583-S585 VanDerWaalsContact C-N 3.33Å
586L91.1Very high87.9Confident98 Ų98102.2 Ų102.251%0.51346%0.46SS..BIsolated β-bridgetrans-91.1143173.7-61.6176.5000110.7T572 Q573T572-L586 WeakPolarHBondContact O-CA 3.22Å; Q573-L586 HydrophobicContact CB-CD2 4.44Å; Q573-L586 HydrophobicContact CG-CD2 3.67Å
587W91.3Very high88.6Confident8 Ų8100.9 Ų100.93%0.0344%0.437CS..PPolyproline II helixtrans-71.8125.7170.5-80.5130000110.7L507 L514 V519 L522 F523 L569 N571 T572 V574 I589L507-W587 HydrophobicContact CD1-CZ3 4.29Å; L507-W587 HydrophobicContact CD2-CE3 4.34Å; L507-W587 HydrophobicContact CD2-CZ3 4.46Å; L514-W587 HydrophobicContact CD1-CH2 3.57Å; L514-W587 HydrophobicContact CD1-CZ2 4.33Å; L514-W587 HydrophobicContact CD1-CZ3 4.1Å; V519-W587 HydrophobicContact CG2-CH2 4.4Å; L522-W587 HydrophobicContact CD1-CZ2 4.1Å; F523-W587 AromaticContact CE2-CH2 3.75Å; F523-W587 HydrophobicContact CE2-CH2 3.75Å; F523-W587 AromaticContact CE2-CZ2 3.77Å; F523-W587 HydrophobicContact CE2-CZ2 3.77Å; F523-W587 HydrophobicContact CE2-CZ3 4.23Å; F523-W587 HydrophobicContact CZ-CH2 4.36Å; F523-W587 HydrophobicContact CZ-CZ2 4.38Å; F523-W587 HydrophobicContact CZ-CZ3 4.44Å; L569-W587 VanDerWaalsContact O-CB 3.26Å; L569-W587 WeakPolarHBondContact O-CB 3.37Å; N571-W587 WeakPolarHBondContact CA-O 3.39Å; N571-W587 PolarHBondContact N-O 3.15Å; T572-W587 WeakPolarHBondContact O-CB 3.43Å; T572-W587 PolarHBondContact O-N 3.41Å; V574-W587 HydrophobicContact CB-CZ2 4.21Å; V574-W587 HydrophobicContact CG1-CH2 4.38Å; V574-W587 HydrophobicContact CG1-CZ2 3.72Å; V574-W587 HydrophobicContact CG2-CD2 3.76Å; V574-W587 HydrophobicContact CG2-CE3 4.2Å; V574-W587 HydrophobicContact CG2-CG 4.15Å; V574-W587 HydrophobicContact CG2-CH2 4.31Å; V574-W587 HydrophobicContact CG2-CZ2 3.88Å; V574-W587 HydrophobicContact CG2-CZ3 4.45Å; W587-I589 HydrophobicContact CB-CD1 3.75Å; W587-I589 HydrophobicContact CB-CG1 3.84Å; W587-I589 HydrophobicContact CD2-CD1 4.01Å; W587-I589 HydrophobicContact CE3-CD1 4.13Å; W587-I589 HydrophobicContact CE3-CG1 4.5Å; W587-I589 HydrophobicContact CG-CD1 3.88Å; W587-I589 HydrophobicContact CG-CG1 4.43Å
588N92.5Very high89.1Confident76 Ų7694.4 Ų94.441%0.40642%0.415SS..  trans-115.2101.5170.2-171.1-23.2000108.8L507 S508L507-N588 WeakPolarHBondContact CA-O 3.38Å; S508-N588 PolarHBondContact N-O 2.82Å; S508-N588 VanDerWaalsContact OG-CB 3.25Å; S508-N588 WeakPolarHBondContact OG-CB 3.11Å; S508-N588 PolarHBondContact OG-ND2 3.41Å; S508-N588 PolarHBondContact OG-OD1 3.41Å; S508-N588 VanDerWaalsContact OG-OD1 3.08Å
589I94.3Very high89.6Confident5 Ų589.6 Ų89.63%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-132.3131.1-162.4-50.2-166.3000110.1V505 Y506 L507 F523 A566 L569 N570 W587V505-I589 HydrophobicContact CG1-CG2 3.05Å; Y506-I589 CarbonylContact O-C 3.55Å; Y506-I589 WeakPolarHBondContact O-CA 3.42Å; L507-I589 HydrophobicContact CD2-CB 4.16Å; L507-I589 HydrophobicContact CD2-CD1 3.69Å; L507-I589 HydrophobicContact CD2-CG1 3.46Å; L507-I589 VanDerWaalsContact CD2-CG1 3.46Å; L507-I589 HydrophobicContact CD2-CG2 4.05Å; F523-I589 HydrophobicContact CE1-CD1 4Å; F523-I589 HydrophobicContact CZ-CD1 3.64Å; A566-I589 HydrophobicContact CB-CG2 4.26Å; L569-I589 HydrophobicContact CB-CD1 3.74Å; L569-I589 HydrophobicContact CD1-CD1 4.39Å; N570-I589 HydrophobicContact CB-CB 4.32Å; N570-I589 VanDerWaalsContact CG-O 3.3Å; N570-I589 PolarHBondContact OD1-N 2.73Å; N570-I589 PolarHBondContact OD1-O 3.05Å; W587-I589 HydrophobicContact CB-CD1 3.75Å; W587-I589 HydrophobicContact CB-CG1 3.84Å; W587-I589 HydrophobicContact CD2-CD1 4.01Å; W587-I589 HydrophobicContact CE3-CD1 4.13Å; W587-I589 HydrophobicContact CE3-CG1 4.5Å; W587-I589 HydrophobicContact CG-CD1 3.88Å; W587-I589 HydrophobicContact CG-CG1 4.43Å
590K95.4Very high89.9Confident137 Ų13778.1 Ų78.160%0.59635%0.352SS*.EExtended strand (participates in β ladder)trans-132.4129.6177.7-172.1175.1-179.9178.30111.6Y506Y506-K590 PolarHBondContact N-O 3.49Å; Y506-K590 PolarHBondContact O-N 2.71Å
591Y96.1Very high90.4Very high46 Ų4678.7 Ų78.718%0.1835%0.354CS..EExtended strand (participates in β ladder)trans-74130.1167.7171.4-104.2000110I504 A562 K563 H593I504-Y591 WeakPolarHBondContact O-CD2 3.48Å; A562-Y591 HydrophobicContact CB-CD2 3.8Å; A562-Y591 HydrophobicContact CB-CE2 3.89Å; K563-Y591 HydrophobicContact CD-CE1 4.15Å; K563-Y591 VanDerWaalsContact CE-CE1 3.41Å; K563-Y591 HydrophobicContact CG-CD1 3.66Å; K563-Y591 HydrophobicContact CG-CD2 4.04Å; K563-Y591 HydrophobicContact CG-CE1 3.63Å; K563-Y591 HydrophobicContact CG-CE2 4.02Å; K563-Y591 HydrophobicContact CG-CG 3.86Å; Y591-H593 HydrophobicContact CE1-CB 4.21Å
592L94.8Very high90.8Very high35 Ų3573.6 Ų73.618%0.18334%0.339CS..EExtended strand (participates in β ladder)trans-95.2105.6178.8-60.4-177.1000110.2I504 F595I504-L592 HydrophobicContact CG2-CD1 4.32Å; I504-L592 PolarHBondContact O-N 3.06Å; L592-F595 HydrophobicContact CB-CB 3.44Å; L592-F595 VanDerWaalsContact CB-CB 3.44Å; L592-F595 HydrophobicContact CB-CD1 4.21Å; L592-F595 HydrophobicContact CB-CG 3.99Å; L592-F595 HydrophobicContact CD1-CB 4.21Å; L592-F595 HydrophobicContact CD1-CD1 3.52Å; L592-F595 HydrophobicContact CD1-CD2 4.39Å; L592-F595 HydrophobicContact CD1-CE1 3.9Å; L592-F595 HydrophobicContact CD1-CG 3.79Å; L592-F595 HydrophobicContact CD1-CZ 4.48Å; L592-F595 HydrophobicContact CG-CB 4.49Å; L592-F595 PolarHBondContact O-N 3.24Å
593H92.8Very high91.1Very high121 Ų12178.2 Ų78.256%0.5636%0.361SS*.THydrogen-bonded Turntrans-66.2133.7178.2-176.358.1000111.3Y591 F595Y591-H593 HydrophobicContact CE1-CB 4.21Å; H593-F595 PolarHBondContact O-N 2.85Å
594R91.5Very high91.2Very high206 Ų20676.3 Ų76.378%0.77736%0.355SS*.THydrogen-bonded Turntrans58.95.9-178.9-61.7173.1-174-146.9-0.6115.4
595F93.5Very high91Very high44 Ų4471 Ų7119%0.19333%0.334CS..  trans-84.8126.9179.2-168.1-97.7000110.5I504 L592 H593 H599 L600I504-F595 HydrophobicContact CB-CD1 4.18Å; I504-F595 HydrophobicContact CD1-CD1 3.77Å; I504-F595 HydrophobicContact CD1-CE1 4.14Å; I504-F595 HydrophobicContact CG2-CD1 4.07Å; I504-F595 HydrophobicContact CG2-CE1 4.41Å; L592-F595 HydrophobicContact CB-CB 3.44Å; L592-F595 VanDerWaalsContact CB-CB 3.44Å; L592-F595 HydrophobicContact CB-CD1 4.21Å; L592-F595 HydrophobicContact CB-CG 3.99Å; L592-F595 HydrophobicContact CD1-CB 4.21Å; L592-F595 HydrophobicContact CD1-CD1 3.52Å; L592-F595 HydrophobicContact CD1-CD2 4.39Å; L592-F595 HydrophobicContact CD1-CE1 3.9Å; L592-F595 HydrophobicContact CD1-CG 3.79Å; L592-F595 HydrophobicContact CD1-CZ 4.48Å; L592-F595 HydrophobicContact CG-CB 4.49Å; L592-F595 PolarHBondContact O-N 3.24Å; H593-F595 PolarHBondContact O-N 2.85Å; F595-H599 HydrophobicContact CD2-CB 4.04Å; F595-H599 AromaticContact CD2-ND1 4Å; F595-H599 HydrophobicContact CE2-CB 3.59Å; F595-H599 HydrophobicContact CZ-CB 3.97Å; F595-L600 HydrophobicContact CE1-CB 3.92Å; F595-L600 HydrophobicContact CZ-CB 3.82Å
596K92.5Very high91Very high129 Ų12976 Ų7656%0.56135%0.348SS*.  trans-114.6162.8179-66.8179.2178.3179.20109.9H598 H599K596-H598 VanDerWaalsContact C-N 3.27Å; K596-H598 VanDerWaalsContact CB-CD2 3.5Å; K596-H598 WeakPolarHBondContact CB-CD2 3.4Å; K596-H598 WeakPolarHBondContact CB-NE2 3.18Å; K596-H598 WeakPolarHBondContact CD-NE2 3.11Å; K596-H598 PolarHBondContact O-N 3.22Å; K596-H599 PolarHBondContact N-ND1 3.09Å; K596-H599 WeakPolarHBondContact O-CB 3.48Å; K596-H599 PolarHBondContact O-N 3.11Å
597W92.4Very high90.7Very high33 Ų3375.7 Ų75.713%0.12534%0.344CS..Hα-helixtrans-65.4-30.2-173.6-168-88.7000113.5I504 R531 W553 E555 H599 L600 T601I504-W597 HydrophobicContact CD1-CB 4.11Å; I504-W597 HydrophobicContact CD1-CE3 4.04Å; I504-W597 VanDerWaalsContact CD1-N 3.26Å; R531-W597 HydrophobicContact CB-CD2 3.97Å; R531-W597 HydrophobicContact CB-CE3 3.92Å; R531-W597 HydrophobicContact CB-CH2 3.48Å; R531-W597 VanDerWaalsContact CB-CH2 3.48Å; R531-W597 HydrophobicContact CB-CZ2 3.53Å; R531-W597 HydrophobicContact CB-CZ3 3.68Å; R531-W597 HydrophobicContact CG-CZ2 4.42Å; R531-W597 VanDerWaalsContact CZ-CB 3.44Å; W553-W597 HydrophobicContact CB-CZ3 4.31Å; E555-W597 HydrophobicContact CB-CE3 3.95Å; E555-W597 HydrophobicContact CB-CZ3 4.09Å; W597-H599 VanDerWaalsContact C-N 3.33Å; W597-H599 PolarHBondContact O-N 2.99Å; W597-L600 HydrophobicContact CH2-CD2 4.37Å; W597-L600 HydrophobicContact CZ2-CD2 4.47Å; W597-L600 HydrophobicContact CZ3-CD2 4.46Å; W597-L600 PolarHBondContact O-N 3.33Å; W597-T601 PolarHBondContact O-N 3.02Å; W597-T601 VanDerWaalsContact O-N 3.12Å; W597-T601 PolarHBondContact O-OG1 2.89Å
598H91.4Very high90.1Very high83 Ų8381.8 Ų81.838%0.38437%0.37SS..Hα-helixtrans-65.2-36177.666.987.8000111.7K596 L600 T601 E602K596-H598 VanDerWaalsContact C-N 3.27Å; K596-H598 VanDerWaalsContact CB-CD2 3.5Å; K596-H598 WeakPolarHBondContact CB-CD2 3.4Å; K596-H598 WeakPolarHBondContact CB-NE2 3.18Å; K596-H598 WeakPolarHBondContact CD-NE2 3.11Å; K596-H598 PolarHBondContact O-N 3.22Å; H598-L600 VanDerWaalsContact C-N 3.32Å; H598-L600 PolarHBondContact O-N 3.06Å; H598-T601 PolarHBondContact O-N 2.88Å; H598-E602 IonicContact CG-OE1 3.57Å; H598-E602 IonicContact ND1-OE1 3.58Å; H598-E602 PolarHBondContact ND1-OE1 2.97Å; H598-E602 WeakPolarHBondContact O-CB 3.21Å; H598-E602 WeakPolarHBondContact O-CG 3.33Å; H598-E602 PolarHBondContact O-N 3.42Å
599H91.5Very high89.6Confident70 Ų7081.3 Ų81.332%0.32437%0.373SS..Hα-helixtrans-58.9-41.5174.2-58.9157.7000112.4F595 K596 W597 T601 Q603F595-H599 HydrophobicContact CD2-CB 4.04Å; F595-H599 AromaticContact CD2-ND1 4Å; F595-H599 HydrophobicContact CE2-CB 3.59Å; F595-H599 HydrophobicContact CZ-CB 3.97Å; K596-H599 PolarHBondContact N-ND1 3.09Å; K596-H599 WeakPolarHBondContact O-CB 3.48Å; K596-H599 PolarHBondContact O-N 3.11Å; W597-H599 VanDerWaalsContact C-N 3.33Å; W597-H599 PolarHBondContact O-N 2.99Å; H599-T601 VanDerWaalsContact C-N 3.35Å; H599-Q603 WeakPolarHBondContact O-CB 3.38Å; H599-Q603 PolarHBondContact O-N 3.34Å
600L89.6Confident89Confident2 Ų286.4 Ų86.41%0.0140%0.395CS..Hα-helixtrans-63.6-43.9174.8178.563.2000111Y533 W553 F595 W597 H598 Q603 L604Y533-L600 HydrophobicContact CD1-CD2 4.08Å; Y533-L600 HydrophobicContact CG-CD2 4.45Å; W553-L600 HydrophobicContact CB-CD2 3.76Å; W553-L600 HydrophobicContact CD2-CD1 3.69Å; W553-L600 HydrophobicContact CD2-CD2 3.73Å; W553-L600 HydrophobicContact CD2-CG 4.37Å; W553-L600 VanDerWaalsContact CE2-CD1 3.47Å; W553-L600 HydrophobicContact CE3-CD1 4.06Å; W553-L600 HydrophobicContact CE3-CD2 4.06Å; W553-L600 HydrophobicContact CG-CD1 4.21Å; W553-L600 HydrophobicContact CG-CD2 3.61Å; W553-L600 HydrophobicContact CH2-CD1 3.99Å; W553-L600 HydrophobicContact CZ2-CD1 3.65Å; W553-L600 HydrophobicContact CZ3-CD1 4.2Å; F595-L600 HydrophobicContact CE1-CB 3.92Å; F595-L600 HydrophobicContact CZ-CB 3.82Å; W597-L600 HydrophobicContact CH2-CD2 4.37Å; W597-L600 HydrophobicContact CZ2-CD2 4.47Å; W597-L600 HydrophobicContact CZ3-CD2 4.46Å; W597-L600 PolarHBondContact O-N 3.33Å; H598-L600 VanDerWaalsContact C-N 3.32Å; H598-L600 PolarHBondContact O-N 3.06Å; L600-Q603 PolarHBondContact O-N 3.36Å; L600-L604 HydrophobicContact CD1-CD1 4.08Å; L600-L604 HydrophobicContact CD1-CG 4.24Å; L600-L604 HydrophobicContact CG-CD1 3.91Å; L600-L604 HydrophobicContact CG-CG 4.47Å; L600-L604 WeakPolarHBondContact O-CB 3.18Å; L600-L604 VanDerWaalsContact O-CG 3.22Å; L600-L604 WeakPolarHBondContact O-CG 3.19Å; L600-L604 PolarHBondContact O-N 3.01Å
601T89Confident88.1Confident62 Ų6285.4 Ų85.438%0.3839%0.392SS..Hα-helixtrans-66-44.8-178-52.30000110.7W597 H598 H599 L604 V605W597-T601 PolarHBondContact O-N 3.02Å; W597-T601 VanDerWaalsContact O-N 3.12Å; W597-T601 PolarHBondContact O-OG1 2.89Å; H598-T601 PolarHBondContact O-N 2.88Å; H599-T601 VanDerWaalsContact C-N 3.35Å; T601-L604 PolarHBondContact O-N 2.84Å; T601-V605 WeakPolarHBondContact O-CB 3.35Å; T601-V605 WeakPolarHBondContact O-CG2 3.43Å; T601-V605 PolarHBondContact O-N 3.04Å
602E88.5Confident87.2Confident115 Ų11588 Ų8854%0.53740%0.404SS..Hα-helixtrans-58.6-47.7174.5-74.5164.3-144.300111.5H598 L604 V605 Y606H598-E602 IonicContact CG-OE1 3.57Å; H598-E602 IonicContact ND1-OE1 3.58Å; H598-E602 PolarHBondContact ND1-OE1 2.97Å; H598-E602 WeakPolarHBondContact O-CB 3.21Å; H598-E602 WeakPolarHBondContact O-CG 3.33Å; H598-E602 PolarHBondContact O-N 3.42Å; E602-L604 PolarHBondContact O-N 3.28Å; E602-V605 PolarHBondContact O-N 2.95Å; E602-Y606 WeakPolarHBondContact O-CB 3.5Å; E602-Y606 PolarHBondContact O-N 3.41Å
603Q87.2Confident86.6Confident100 Ų10091.7 Ų91.747%0.46742%0.42SS..Hα-helixtrans-61.9-45.9177.9-176177.3-15.400112H599 L600 V605 Y606 E607H599-Q603 WeakPolarHBondContact O-CB 3.38Å; H599-Q603 PolarHBondContact O-N 3.34Å; L600-Q603 PolarHBondContact O-N 3.36Å; Q603-V605 VanDerWaalsContact C-N 3.29Å; Q603-V605 PolarHBondContact O-N 3.1Å; Q603-Y606 PolarHBondContact O-N 3.06Å; Q603-E607 PolarHBondContact NE2-OE1 3.22Å; Q603-E607 WeakPolarHBondContact O-CG 3.4Å; Q603-E607 PolarHBondContact O-N 2.97Å
604L86.4Confident86.1Confident22 Ų2293 Ų9312%0.11542%0.42CS..Hα-helixtrans-63.2-36.1177.3-70.7169.8000112.1Y533 L600 T601 E602 K608Y533-L604 HydrophobicContact CD1-CD1 3.93Å; Y533-L604 HydrophobicContact CE1-CD1 3.38Å; Y533-L604 HydrophobicContact CE1-CD2 3.94Å; Y533-L604 HydrophobicContact CE1-CG 4.29Å; Y533-L604 HydrophobicContact CE2-CD1 4.29Å; L600-L604 HydrophobicContact CD1-CD1 4.08Å; L600-L604 HydrophobicContact CD1-CG 4.24Å; L600-L604 HydrophobicContact CG-CD1 3.91Å; L600-L604 HydrophobicContact CG-CG 4.47Å; L600-L604 WeakPolarHBondContact O-CB 3.18Å; L600-L604 VanDerWaalsContact O-CG 3.22Å; L600-L604 WeakPolarHBondContact O-CG 3.19Å; L600-L604 PolarHBondContact O-N 3.01Å; T601-L604 PolarHBondContact O-N 2.84Å; E602-L604 PolarHBondContact O-N 3.28Å; L604-K608 WeakPolarHBondContact O-CB 3.27Å; L604-K608 WeakPolarHBondContact O-CD 3.47Å; L604-K608 WeakPolarHBondContact O-CG 3.48Å; L604-K608 PolarHBondContact O-N 2.76Å; L604-K608 VanDerWaalsContact O-N 3.14Å
605V81.7Confident85.2Confident60 Ų6087.6 Ų87.636%0.36441%0.405SS..Hα-helixtrans-69.1-43.3175.61690000110.8T601 E602 Q603 K608 S609T601-V605 WeakPolarHBondContact O-CB 3.35Å; T601-V605 WeakPolarHBondContact O-CG2 3.43Å; T601-V605 PolarHBondContact O-N 3.04Å; E602-V605 PolarHBondContact O-N 2.95Å; Q603-V605 VanDerWaalsContact C-N 3.29Å; Q603-V605 PolarHBondContact O-N 3.1Å; V605-K608 PolarHBondContact O-N 2.65Å; V605-S609 VanDerWaalsContact O-CB 3.32Å; V605-S609 WeakPolarHBondContact O-CB 3.2Å; V605-S609 PolarHBondContact O-N 3.3Å; V605-S609 PolarHBondContact O-OG 2.75Å
606Y87.5Confident84.4Confident145 Ų14592 Ų9257%0.56942%0.421SS*.Hα-helixtrans-59.9-49.8176.1174.8-100000111.7E602 Q603 K608 S609 K610E602-Y606 WeakPolarHBondContact O-CB 3.5Å; E602-Y606 PolarHBondContact O-N 3.41Å; Q603-Y606 PolarHBondContact O-N 3.06Å; Y606-K608 PolarHBondContact O-N 2.9Å; Y606-S609 PolarHBondContact O-N 3.15Å; Y606-K610 HydrophobicContact CE1-CD 4.24Å; Y606-K610 WeakPolarHBondContact O-CB 3.18Å; Y606-K610 PolarHBondContact O-N 3.3Å
607E84.1Confident83.9Confident91 Ų9191.1 Ų91.143%0.42542%0.42SS..Hα-helixtrans-62-43.7179.3-73.9177.4-171.100112.4Q603 S609 K610 H611Q603-E607 PolarHBondContact NE2-OE1 3.22Å; Q603-E607 WeakPolarHBondContact O-CG 3.4Å; Q603-E607 PolarHBondContact O-N 2.97Å; E607-S609 VanDerWaalsContact C-N 3.33Å; E607-S609 PolarHBondContact O-N 3.24Å; E607-K610 PolarHBondContact O-N 2.91Å; E607-H611 WeakPolarHBondContact O-CB 3.47Å; E607-H611 PolarHBondContact O-N 3.29Å
608K80.6Confident83.1Confident136 Ų13694.8 Ų94.859%0.59144%0.438SS*.Hα-helixtrans-61.9-41.1175.1-76172.6-175.81730111.9L604 V605 Y606 K612L604-K608 WeakPolarHBondContact O-CB 3.27Å; L604-K608 WeakPolarHBondContact O-CD 3.47Å; L604-K608 WeakPolarHBondContact O-CG 3.48Å; L604-K608 PolarHBondContact O-N 2.76Å; L604-K608 VanDerWaalsContact O-N 3.14Å; V605-K608 PolarHBondContact O-N 2.65Å; Y606-K608 PolarHBondContact O-N 2.9Å; K608-K612 VanDerWaalsContact O-CB 3.3Å; K608-K612 WeakPolarHBondContact O-CB 3.35Å; K608-K612 PolarHBondContact O-N 3.08Å
609S81.3Confident82.5Confident66 Ų6695.3 Ų95.346%0.46244%0.443SS..Hα-helixtrans-66.6-45.9179.1-60.40000111.1V605 Y606 E607 H611 K612 Q613V605-S609 VanDerWaalsContact O-CB 3.32Å; V605-S609 WeakPolarHBondContact O-CB 3.2Å; V605-S609 PolarHBondContact O-N 3.3Å; V605-S609 PolarHBondContact O-OG 2.75Å; Y606-S609 PolarHBondContact O-N 3.15Å; E607-S609 VanDerWaalsContact C-N 3.33Å; E607-S609 PolarHBondContact O-N 3.24Å; S609-H611 PolarHBondContact O-N 3.39Å; S609-K612 PolarHBondContact O-N 3.16Å; S609-Q613 WeakPolarHBondContact O-CB 3.34Å; S609-Q613 PolarHBondContact O-N 3.35Å
610K82Confident81.9Confident111 Ų11194.5 Ų94.548%0.48345%0.445SS..Hα-helixtrans-59.6-45174.9-175.1177.5-179.2174.80112Y606 E607 Q613 R614Y606-K610 HydrophobicContact CE1-CD 4.24Å; Y606-K610 WeakPolarHBondContact O-CB 3.18Å; Y606-K610 PolarHBondContact O-N 3.3Å; E607-K610 PolarHBondContact O-N 2.91Å; K610-Q613 PolarHBondContact O-N 2.85Å; K610-R614 PolarHBondContact O-N 3.12Å
611H75.8Confident81.7Confident116 Ų11699.3 Ų99.354%0.53747%0.467SS..Hα-helixtrans-64.2-45177-177.872000112E607 S609 Q613 R614 M615E607-H611 WeakPolarHBondContact O-CB 3.47Å; E607-H611 PolarHBondContact O-N 3.29Å; S609-H611 PolarHBondContact O-N 3.39Å; H611-Q613 VanDerWaalsContact C-N 3.31Å; H611-Q613 PolarHBondContact O-N 2.93Å; H611-R614 PolarHBondContact O-N 3.01Å; H611-M615 PolarHBondContact O-N 2.93Å
612K77.7Confident81.3Confident102 Ų10298.7 Ų98.744%0.44347%0.469SS..Hα-helixtrans-60.7-40.6176.2-173.5178.3-178.4-1780111.7K608 S609 R616K608-K612 VanDerWaalsContact O-CB 3.3Å; K608-K612 WeakPolarHBondContact O-CB 3.35Å; K608-K612 PolarHBondContact O-N 3.08Å; S609-K612 PolarHBondContact O-N 3.16Å; K612-R616 WeakPolarHBondContact O-CB 3.48Å; K612-R616 VanDerWaalsContact O-CG 3.32Å; K612-R616 WeakPolarHBondContact O-CG 3.5Å; K612-R616 PolarHBondContact O-N 3.21Å
613Q81.2Confident81Confident111 Ų11198.6 Ų98.652%0.51947%0.467SS..Hα-helixtrans-64.6-45.8176.5-171.7176.35.600111.6S609 K610 H611 R616 M617S609-Q613 WeakPolarHBondContact O-CB 3.34Å; S609-Q613 PolarHBondContact O-N 3.35Å; K610-Q613 PolarHBondContact O-N 2.85Å; H611-Q613 VanDerWaalsContact C-N 3.31Å; H611-Q613 PolarHBondContact O-N 2.93Å; Q613-R616 WeakPolarHBondContact O-CB 3.46Å; Q613-R616 PolarHBondContact O-N 3.47Å; Q613-M617 HydrophobicContact CG-CE 4.34Å; Q613-M617 WeakPolarHBondContact O-CG 3.27Å; Q613-M617 PolarHBondContact O-N 3.26Å
614R81.9Confident80.8Confident148 Ų148101.2 Ų101.256%0.55847%0.472SS*.Hα-helixtrans-59-49.1175.1-175.2-179.1-74.9-179.1-6111.9K610 H611 R616 M617 E618K610-R614 PolarHBondContact O-N 3.12Å; H611-R614 PolarHBondContact O-N 3.01Å; R614-R616 VanDerWaalsContact C-N 3.29Å; R614-R616 PolarHBondContact O-N 3.46Å; R614-M617 PolarHBondContact O-N 2.82Å; R614-M617 VanDerWaalsContact O-N 3.13Å; R614-E618 WeakPolarHBondContact CG-OE1 3.39Å; R614-E618 PolarHBondContact O-N 3.47Å
615M72.7Confident80.5Confident93 Ų93105.5 Ų105.546%0.45849%0.492SS..Hα-helixtrans-58.7-39.2176.8-77.5-117.8-7600112.4H611 E618 I619H611-M615 PolarHBondContact O-N 2.93Å; M615-E618 PolarHBondContact O-N 3.23Å; M615-I619 WeakPolarHBondContact O-CB 3.13Å; M615-I619 WeakPolarHBondContact O-CD1 3.26Å; M615-I619 WeakPolarHBondContact O-CG1 3.46Å; M615-I619 PolarHBondContact O-N 2.8Å
616R78.3Confident80.3Confident138 Ų138105.2 Ų105.252%0.52150%0.495SS..Hα-helixtrans-63.3-43.2174.9-78.6174.9171.1-172-7.5112.3K612 Q613 R614 I619 S620K612-R616 WeakPolarHBondContact O-CB 3.48Å; K612-R616 VanDerWaalsContact O-CG 3.32Å; K612-R616 WeakPolarHBondContact O-CG 3.5Å; K612-R616 PolarHBondContact O-N 3.21Å; Q613-R616 WeakPolarHBondContact O-CB 3.46Å; Q613-R616 PolarHBondContact O-N 3.47Å; R614-R616 VanDerWaalsContact C-N 3.29Å; R614-R616 PolarHBondContact O-N 3.46Å; R616-I619 PolarHBondContact O-N 3.14Å; R616-S620 WeakPolarHBondContact O-CB 3.35Å; R616-S620 PolarHBondContact O-N 3.1Å
617M80.4Confident80.1Confident110 Ų110103.9 Ų103.954%0.54249%0.494SS..Hα-helixtrans-63.3-43.8177.2-68.6-174.4-64.400111.6Q613 R614 S620 Q621Q613-M617 HydrophobicContact CG-CE 4.34Å; Q613-M617 WeakPolarHBondContact O-CG 3.27Å; Q613-M617 PolarHBondContact O-N 3.26Å; R614-M617 PolarHBondContact O-N 2.82Å; R614-M617 VanDerWaalsContact O-N 3.13Å; M617-S620 PolarHBondContact O-N 2.89Å; M617-Q621 WeakPolarHBondContact O-CB 3.43Å; M617-Q621 PolarHBondContact O-N 2.79Å
618E76.5Confident80.1Confident110 Ų110105.6 Ų105.651%0.51450%0.501SS..Hα-helixtrans-62.6-43.7175.8-71.2175.1-161.800112R614 M615 Q621 A622R614-E618 WeakPolarHBondContact CG-OE1 3.39Å; R614-E618 PolarHBondContact O-N 3.47Å; M615-E618 PolarHBondContact O-N 3.23Å; E618-Q621 PolarHBondContact O-N 3.42Å; E618-A622 WeakPolarHBondContact O-CB 3.25Å; E618-A622 PolarHBondContact O-N 3.38Å
619I78.7Confident80.1Confident93 Ų93105.5 Ų105.548%0.47750%0.501SS..Hα-helixtrans-63.7-43175.7-69.6166.3000111M615 R616 A622 K623M615-I619 WeakPolarHBondContact O-CB 3.13Å; M615-I619 WeakPolarHBondContact O-CD1 3.26Å; M615-I619 WeakPolarHBondContact O-CG1 3.46Å; M615-I619 PolarHBondContact O-N 2.8Å; R616-I619 PolarHBondContact O-N 3.14Å; I619-A622 PolarHBondContact O-N 3.08Å; I619-K623 HydrophobicContact CG2-CD 4.25Å; I619-K623 HydrophobicContact CG2-CG 4.43Å; I619-K623 WeakPolarHBondContact O-CB 3.42Å; I619-K623 WeakPolarHBondContact O-CG 2.84Å; I619-K623 PolarHBondContact O-N 2.63Å
620S79Confident80.2Confident54 Ų54105.8 Ų105.838%0.37850%0.5SS..Hα-helixtrans-63.6-43.1177.9172.90000111.8R616 M617 K623 R624R616-S620 WeakPolarHBondContact O-CB 3.35Å; R616-S620 PolarHBondContact O-N 3.1Å; M617-S620 PolarHBondContact O-N 2.89Å; S620-K623 PolarHBondContact O-N 3.46Å; S620-R624 PolarHBondContact O-N 3.49Å
621Q84.5Confident80.3Confident102 Ų102105.1 Ų105.148%0.47750%0.498SS..Hα-helixtrans-61.3-49.4174.6-177.8-178.7-3.500111.3M617 E618 K623 R624 E625M617-Q621 WeakPolarHBondContact O-CB 3.43Å; M617-Q621 PolarHBondContact O-N 2.79Å; E618-Q621 PolarHBondContact O-N 3.42Å; Q621-K623 VanDerWaalsContact C-N 3.28Å; Q621-K623 PolarHBondContact O-N 2.94Å; Q621-R624 PolarHBondContact O-N 2.88Å; Q621-R624 VanDerWaalsContact O-N 3.14Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.49Å; Q621-E625 PolarHBondContact NE2-OE1 3.34Å; Q621-E625 WeakPolarHBondContact O-CG 3.43Å; Q621-E625 PolarHBondContact O-N 3.35Å
622A81.5Confident80.6Confident49 Ų49103.4 Ų103.441%0.40549%0.491SS..Hα-helixtrans-61.9-35.4178.100000112.5E618 I619 A626E618-A622 WeakPolarHBondContact O-CB 3.25Å; E618-A622 PolarHBondContact O-N 3.38Å; I619-A622 PolarHBondContact O-N 3.08Å; A622-A626 VanDerWaalsContact O-CB 3.29Å; A622-A626 WeakPolarHBondContact O-CB 3.49Å; A622-A626 PolarHBondContact O-N 2.93Å
623K83.1Confident80.8Confident114 Ų114103.2 Ų103.250%0.49649%0.493SS..Hα-helixtrans-64.5-45.8172.9-80.3-178176.8-176.70111.4I619 S620 Q621 A626 Q627I619-K623 HydrophobicContact CG2-CD 4.25Å; I619-K623 HydrophobicContact CG2-CG 4.43Å; I619-K623 WeakPolarHBondContact O-CB 3.42Å; I619-K623 WeakPolarHBondContact O-CG 2.84Å; I619-K623 PolarHBondContact O-N 2.63Å; S620-K623 PolarHBondContact O-N 3.46Å; Q621-K623 VanDerWaalsContact C-N 3.28Å; Q621-K623 PolarHBondContact O-N 2.94Å; K623-A626 PolarHBondContact O-N 3.01Å; K623-Q627 WeakPolarHBondContact O-CB 3.39Å; K623-Q627 WeakPolarHBondContact O-CG 3.4Å; K623-Q627 PolarHBondContact O-N 3.39Å
624R81.7Confident81Confident154 Ų154103.7 Ų103.758%0.58150%0.496SS*.Hα-helixtrans-60.8-45.1176.9-80.2-175-80.1160.6-5.6112.1S620 Q621 Q627 F628S620-R624 PolarHBondContact O-N 3.49Å; Q621-R624 PolarHBondContact O-N 2.88Å; Q621-R624 VanDerWaalsContact O-N 3.14Å; R624-Q627 PolarHBondContact O-N 2.99Å; R624-F628 WeakPolarHBondContact O-CB 3.46Å; R624-F628 PolarHBondContact O-N 2.68Å
625E79.2Confident81.1Confident112 Ų112102.4 Ų102.452%0.52349%0.494SS..Hα-helixtrans-62.6-43176.7-70.2174.3-168.200111.7Q621 F628 F629Q621-E625 WeakPolarHBondContact CG-OE1 3.49Å; Q621-E625 PolarHBondContact NE2-OE1 3.34Å; Q621-E625 WeakPolarHBondContact O-CG 3.43Å; Q621-E625 PolarHBondContact O-N 3.35Å; E625-F628 PolarHBondContact O-N 3.38Å; E625-F629 WeakPolarHBondContact O-CB 3.3Å; E625-F629 PolarHBondContact O-N 3.29Å
626A79.3Confident81.8Confident54 Ų5499.2 Ų99.245%0.44649%0.485SS..Hα-helixtrans-67-39.6176.900000113.2A622 K623 F629 T630A622-A626 VanDerWaalsContact O-CB 3.29Å; A622-A626 WeakPolarHBondContact O-CB 3.49Å; A622-A626 PolarHBondContact O-N 2.93Å; K623-A626 PolarHBondContact O-N 3.01Å; A626-F629 PolarHBondContact O-N 3.3Å; A626-T630 PolarHBondContact O-N 3.47Å; A626-T630 PolarHBondContact O-OG1 2.7Å
627Q83.5Confident82.3Confident117 Ų11795.5 Ų95.555%0.54748%0.484SS..Hα-helixtrans-65.8-46175.1-77.5175.1-18.800111.1K623 R624 F629 T630 Q631K623-Q627 WeakPolarHBondContact O-CB 3.39Å; K623-Q627 WeakPolarHBondContact O-CG 3.4Å; K623-Q627 PolarHBondContact O-N 3.39Å; R624-Q627 PolarHBondContact O-N 2.99Å; Q627-F629 VanDerWaalsContact C-N 3.31Å; Q627-F629 PolarHBondContact O-N 3.26Å; Q627-T630 PolarHBondContact O-N 3.09Å; Q627-Q631 WeakPolarHBondContact O-CG 3.12Å; Q627-Q631 PolarHBondContact O-N 2.98Å
628F84.2Confident82.6Confident127 Ų12793.2 Ų93.256%0.55748%0.482SS*.Hα-helixtrans-58.5-44175.8179-100.2000111.4R624 E625 Q631 Q632R624-F628 WeakPolarHBondContact O-CB 3.46Å; R624-F628 PolarHBondContact O-N 2.68Å; E625-F628 PolarHBondContact O-N 3.38Å; F628-Q631 PolarHBondContact O-N 3.32Å; F628-Q632 HydrophobicContact CD1-CG 4.25Å; F628-Q632 HydrophobicContact CE1-CG 3.94Å; F628-Q632 HydrophobicContact CE2-CG 4.41Å; F628-Q632 HydrophobicContact CZ-CG 4.05Å; F628-Q632 VanDerWaalsContact O-CG 3.26Å; F628-Q632 WeakPolarHBondContact O-CG 3.5Å; F628-Q632 PolarHBondContact O-N 2.76Å
629F79.7Confident83.1Confident134 Ų13492.3 Ų92.359%0.58848%0.48SS*.Hα-helixtrans-63.4-44.2177.2-174.6-103.9000112.5E625 A626 Q627 Q631 Q632 I633E625-F629 WeakPolarHBondContact O-CB 3.3Å; E625-F629 PolarHBondContact O-N 3.29Å; A626-F629 PolarHBondContact O-N 3.3Å; Q627-F629 VanDerWaalsContact C-N 3.31Å; Q627-F629 PolarHBondContact O-N 3.26Å; F629-Q631 PolarHBondContact O-N 2.93Å; F629-Q632 PolarHBondContact O-N 3.31Å; F629-I633 HydrophobicContact CD1-CD1 3.71Å; F629-I633 HydrophobicContact CD1-CG1 4.49Å; F629-I633 HydrophobicContact CE1-CD1 3.25Å; F629-I633 HydrophobicContact CE1-CG1 4.21Å; F629-I633 HydrophobicContact CZ-CD1 3.74Å; F629-I633 HydrophobicContact CZ-CG1 4.36Å; F629-I633 WeakPolarHBondContact O-CG1 3.37Å; F629-I633 PolarHBondContact O-N 3.27Å
630T83.1Confident83.4Confident72 Ų7296.4 Ų96.444%0.44249%0.489SS..Hα-helixtrans-58.5-47.7175.4-54.30000111.2A626 Q627 Q632 I633 E634A626-T630 PolarHBondContact O-N 3.47Å; A626-T630 PolarHBondContact O-OG1 2.7Å; Q627-T630 PolarHBondContact O-N 3.09Å; T630-Q632 VanDerWaalsContact C-N 3.32Å; T630-Q632 PolarHBondContact O-N 2.86Å; T630-I633 PolarHBondContact O-N 3.23Å; T630-E634 WeakPolarHBondContact O-CG 3.36Å; T630-E634 PolarHBondContact O-N 3.28Å
631Q85Confident84Confident98 Ų98100.3 Ų100.346%0.45850%0.5SS..Hα-helixtrans-60.8-37.7176.7-71.6176.8700112.6Q627 F628 F629 E634 K635Q627-Q631 WeakPolarHBondContact O-CG 3.12Å; Q627-Q631 PolarHBondContact O-N 2.98Å; F628-Q631 PolarHBondContact O-N 3.32Å; F629-Q631 PolarHBondContact O-N 2.93Å; Q631-E634 PolarHBondContact O-N 3.09Å; Q631-K635 WeakPolarHBondContact O-CB 3.17Å; Q631-K635 VanDerWaalsContact O-CG 3.27Å; Q631-K635 WeakPolarHBondContact O-CG 3.32Å; Q631-K635 PolarHBondContact O-N 3.25Å
632Q81.3Confident84.1Confident80 Ų8099.5 Ų99.537%0.37450%0.498SS..Hα-helixtrans-69.2-35.3177-68.6-70.219.800112.6F628 F629 T630 G636F628-Q632 HydrophobicContact CD1-CG 4.25Å; F628-Q632 HydrophobicContact CE1-CG 3.94Å; F628-Q632 HydrophobicContact CE2-CG 4.41Å; F628-Q632 HydrophobicContact CZ-CG 4.05Å; F628-Q632 VanDerWaalsContact O-CG 3.26Å; F628-Q632 WeakPolarHBondContact O-CG 3.5Å; F628-Q632 PolarHBondContact O-N 2.76Å; F629-Q632 PolarHBondContact O-N 3.31Å; T630-Q632 VanDerWaalsContact C-N 3.32Å; T630-Q632 PolarHBondContact O-N 2.86Å; Q632-G636 PolarHBondContact O-N 2.78Å
633I83Confident84.3Confident98 Ų98100.1 Ų100.150%0.50349%0.492SS..Hα-helixtrans-64.3-45.9172.5-70.6173.8000110.3F629 T630 G636 A637F629-I633 HydrophobicContact CD1-CD1 3.71Å; F629-I633 HydrophobicContact CD1-CG1 4.49Å; F629-I633 HydrophobicContact CE1-CD1 3.25Å; F629-I633 HydrophobicContact CE1-CG1 4.21Å; F629-I633 HydrophobicContact CZ-CD1 3.74Å; F629-I633 HydrophobicContact CZ-CG1 4.36Å; F629-I633 WeakPolarHBondContact O-CG1 3.37Å; F629-I633 PolarHBondContact O-N 3.27Å; T630-I633 PolarHBondContact O-N 3.23Å; I633-G636 PolarHBondContact O-N 3.43Å; I633-A637 PolarHBondContact O-N 3.05Å
634E85.5Confident84.6Confident121 Ų121101.4 Ų101.457%0.56550%0.498SS*.Hα-helixtrans-63.6-46.4178.8-72.1174.8175.100112T630 Q631 G636 A637 A638T630-E634 WeakPolarHBondContact O-CG 3.36Å; T630-E634 PolarHBondContact O-N 3.28Å; Q631-E634 PolarHBondContact O-N 3.09Å; E634-G636 VanDerWaalsContact C-N 3.29Å; E634-G636 PolarHBondContact O-N 2.85Å; E634-A637 PolarHBondContact O-N 3Å; E634-A637 VanDerWaalsContact O-N 3.14Å; E634-A638 PolarHBondContact O-N 3.01Å
635K83.2Confident84.9Confident121 Ų12197.9 Ų97.953%0.52649%0.488SS..Hα-helixtrans-56.7-43.8172.2-75.1176-179.4-179.30111.3Q631 A637 A638 I639Q631-K635 WeakPolarHBondContact O-CB 3.17Å; Q631-K635 VanDerWaalsContact O-CG 3.27Å; Q631-K635 WeakPolarHBondContact O-CG 3.32Å; Q631-K635 PolarHBondContact O-N 3.25Å; K635-A637 PolarHBondContact O-N 2.9Å; K635-A638 PolarHBondContact O-N 3.25Å; K635-I639 WeakPolarHBondContact O-CB 3.4Å; K635-I639 WeakPolarHBondContact O-CD1 3.32Å; K635-I639 WeakPolarHBondContact O-CG1 3.14Å; K635-I639 PolarHBondContact O-N 3.47Å
636G86.8Confident85.3Confident26 Ų2694.9 Ų94.927%0.26848%0.475SS..Hα-helixtrans-62.7-38.6175.900000113.5Q632 I633 E634 R640Q632-G636 PolarHBondContact O-N 2.78Å; I633-G636 PolarHBondContact O-N 3.43Å; E634-G636 VanDerWaalsContact C-N 3.29Å; E634-G636 PolarHBondContact O-N 2.85Å; G636-R640 WeakPolarHBondContact O-CG 3.4Å; G636-R640 PolarHBondContact O-N 3.04Å; G636-R640 VanDerWaalsContact O-N 3.16Å
637A88.2Confident85.6Confident60 Ų6097.2 Ų97.250%0.49648%0.48SS..Hα-helixtrans-69.1-40.8175.700000112.2I633 E634 K635 R640 K641I633-A637 PolarHBondContact O-N 3.05Å; E634-A637 PolarHBondContact O-N 3Å; E634-A637 VanDerWaalsContact O-N 3.14Å; K635-A637 PolarHBondContact O-N 2.9Å; A637-R640 PolarHBondContact O-N 2.87Å; A637-K641 PolarHBondContact O-N 2.98Å; A637-K641 VanDerWaalsContact O-N 3.09Å
638A88.4Confident85.7Confident61 Ų6199.3 Ų99.350%0.50449%0.489SS..Hα-helixtrans-64-45.1176.300000112E634 K635 R640 K641 L642E634-A638 PolarHBondContact O-N 3.01Å; K635-A638 PolarHBondContact O-N 3.25Å; A638-R640 VanDerWaalsContact C-N 3.33Å; A638-R640 PolarHBondContact O-N 3.16Å; A638-K641 WeakPolarHBondContact O-CB 3.36Å; A638-K641 PolarHBondContact O-N 3.39Å; A638-K641 VanDerWaalsContact O-N 3.11Å; A638-L642 PolarHBondContact O-N 3.16Å
639I85.8Confident85.9Confident91 Ų91101.7 Ų101.747%0.46750%0.5SS..Hα-helixtrans-60.2-42.7176.2-68.1166.9000110.9K635 K641 L642 E643 W653K635-I639 WeakPolarHBondContact O-CB 3.4Å; K635-I639 WeakPolarHBondContact O-CD1 3.32Å; K635-I639 WeakPolarHBondContact O-CG1 3.14Å; K635-I639 PolarHBondContact O-N 3.47Å; I639-K641 VanDerWaalsContact C-N 3.29Å; I639-K641 PolarHBondContact O-N 3.37Å; I639-L642 PolarHBondContact O-N 2.94Å; I639-E643 WeakPolarHBondContact O-CB 3.36Å; I639-E643 PolarHBondContact O-N 3.48Å; I639-W653 HydrophobicContact CG2-CH2 4.4Å; I639-W653 HydrophobicContact CG2-CZ2 3.81Å
640R86.4Confident85.8Confident179 Ų179103.1 Ų103.168%0.67551%0.513SS*.Hα-helixtrans-64.2-31.5175.8-76.1176.6-179.6177.90.7113.3G636 A637 A638 K644G636-R640 WeakPolarHBondContact O-CG 3.4Å; G636-R640 PolarHBondContact O-N 3.04Å; G636-R640 VanDerWaalsContact O-N 3.16Å; A637-R640 PolarHBondContact O-N 2.87Å; A638-R640 VanDerWaalsContact C-N 3.33Å; A638-R640 PolarHBondContact O-N 3.16Å; R640-K644 WeakPolarHBondContact O-CG 3.5Å; R640-K644 PolarHBondContact O-N 3.27Å
641K90.4Very high85.5Confident137 Ų137101.1 Ų101.160%0.59651%0.507SS*.Hα-helixtrans-70.6-45.9175.7-167.4-174.5177.1-164.90110.4A637 A638 I639 E643 K644 E645A637-K641 PolarHBondContact O-N 2.98Å; A637-K641 VanDerWaalsContact O-N 3.09Å; A638-K641 WeakPolarHBondContact O-CB 3.36Å; A638-K641 PolarHBondContact O-N 3.39Å; A638-K641 VanDerWaalsContact O-N 3.11Å; I639-K641 VanDerWaalsContact C-N 3.29Å; I639-K641 PolarHBondContact O-N 3.37Å; K641-E643 VanDerWaalsContact C-N 3.35Å; K641-E643 PolarHBondContact O-N 3.19Å; K641-K644 PolarHBondContact O-N 3.32Å; K641-E645 VanDerWaalsContact CE-OE1 3.27Å; K641-E645 WeakPolarHBondContact CE-OE1 3.24Å; K641-E645 IonicContact NZ-OE1 3.59Å; K641-E645 WeakPolarHBondContact O-CG 3.4Å; K641-E645 PolarHBondContact O-N 3.25Å
642L87Confident85.1Confident85 Ų85107 Ų10745%0.44553%0.525SS..Hα-helixtrans-61.9-41.7176.8-163.176.7000112A638 I639 K644 E645 I646 W653A638-L642 PolarHBondContact O-N 3.16Å; I639-L642 PolarHBondContact O-N 2.94Å; L642-K644 VanDerWaalsContact C-N 3.33Å; L642-K644 PolarHBondContact O-N 3.42Å; L642-E645 PolarHBondContact O-N 3.49Å; L642-I646 HydrophobicContact CD2-CD1 4.28Å; L642-I646 HydrophobicContact CG-CD1 3.91Å; L642-I646 WeakPolarHBondContact O-CG1 3.4Å; L642-I646 PolarHBondContact O-N 3.32Å; L642-W653 HydrophobicContact CB-CH2 4.43Å; L642-W653 HydrophobicContact CD2-CH2 3.81Å; L642-W653 HydrophobicContact CD2-CZ3 3.78Å; L642-W653 HydrophobicContact CG-CH2 4.36Å; L642-W653 HydrophobicContact CG-CZ3 4.16Å
643E85.9Confident84.7Confident61 Ų61106.4 Ų106.429%0.28552%0.52SS..Hα-helixtrans-55.8-46.5174.2176.3172.8-147.300111.4I639 K641 I646 L647 W653I639-E643 WeakPolarHBondContact O-CB 3.36Å; I639-E643 PolarHBondContact O-N 3.48Å; K641-E643 VanDerWaalsContact C-N 3.35Å; K641-E643 PolarHBondContact O-N 3.19Å; E643-I646 PolarHBondContact O-N 3.22Å; E643-L647 HydrophobicContact CG-CD1 3.79Å; E643-L647 WeakPolarHBondContact O-CB 3.45Å; E643-L647 WeakPolarHBondContact O-CD1 3.14Å; E643-L647 VanDerWaalsContact O-CG 3.31Å; E643-L647 WeakPolarHBondContact O-CG 3.42Å; E643-L647 PolarHBondContact O-N 3.38Å; E643-W653 HydrophobicContact CB-CD2 4.2Å; E643-W653 HydrophobicContact CB-CG 4.46Å; E643-W653 HydrophobicContact CB-CZ2 4.19Å; E643-W653 HydrophobicContact CG-CD2 4.36Å; E643-W653 HydrophobicContact CG-CG 4.09Å
644K88.5Confident84.4Confident142 Ų142108.6 Ų108.662%0.61753%0.528SS*.Hα-helixtrans-64.1-41.6176.4-73180179-170.80112.9R640 K641 L642 Q648R640-K644 WeakPolarHBondContact O-CG 3.5Å; R640-K644 PolarHBondContact O-N 3.27Å; K641-K644 PolarHBondContact O-N 3.32Å; L642-K644 VanDerWaalsContact C-N 3.33Å; L642-K644 PolarHBondContact O-N 3.42Å; K644-Q648 WeakPolarHBondContact O-CB 3.48Å; K644-Q648 VanDerWaalsContact O-CG 3.29Å; K644-Q648 WeakPolarHBondContact O-CG 3.45Å; K644-Q648 PolarHBondContact O-N 2.99Å
645E89.5Confident83.6Confident80 Ų80113 Ų11337%0.37454%0.539SS..Hα-helixtrans-67-36.9179.9-72.5173.4-171.500112.2K641 L642 K649K641-E645 VanDerWaalsContact CE-OE1 3.27Å; K641-E645 WeakPolarHBondContact CE-OE1 3.24Å; K641-E645 IonicContact NZ-OE1 3.59Å; K641-E645 WeakPolarHBondContact O-CG 3.4Å; K641-E645 PolarHBondContact O-N 3.25Å; L642-E645 PolarHBondContact O-N 3.49Å; E645-K649 WeakPolarHBondContact O-CG 3.49Å; E645-K649 PolarHBondContact O-N 2.81Å
646I86.8Confident82.5Confident48 Ų48116.3 Ų116.325%0.24655%0.55CS..Hα-helixtrans-72.8-42.7177.3-71.6166.6000110.8L642 E643 Q648 K649 G651 W653L642-I646 HydrophobicContact CD2-CD1 4.28Å; L642-I646 HydrophobicContact CG-CD1 3.91Å; L642-I646 WeakPolarHBondContact O-CG1 3.4Å; L642-I646 PolarHBondContact O-N 3.32Å; E643-I646 PolarHBondContact O-N 3.22Å; I646-Q648 VanDerWaalsContact C-N 3.26Å; I646-Q648 PolarHBondContact O-N 2.97Å; I646-K649 PolarHBondContact O-N 2.91Å; I646-K649 VanDerWaalsContact O-N 3.12Å; I646-G651 WeakPolarHBondContact CG2-O 3.11Å; I646-G651 WeakPolarHBondContact O-CA 3.42Å; I646-G651 PolarHBondContact O-N 3.06Å; I646-W653 HydrophobicContact CB-CE3 4.34Å; I646-W653 HydrophobicContact CD1-CE3 3.36Å; I646-W653 HydrophobicContact CD1-CZ3 3.34Å; I646-W653 HydrophobicContact CG1-CE3 4.43Å; I646-W653 HydrophobicContact CG2-CB 4.34Å; I646-W653 HydrophobicContact CG2-CE3 4.36Å
647L84.7Confident81.1Confident103 Ų103123.4 Ų123.454%0.53958%0.576SS.*Hα-helixtrans-62-31.8174-77.5160.7000112.7E643 K649E643-L647 HydrophobicContact CG-CD1 3.79Å; E643-L647 WeakPolarHBondContact O-CB 3.45Å; E643-L647 WeakPolarHBondContact O-CD1 3.14Å; E643-L647 VanDerWaalsContact O-CG 3.31Å; E643-L647 WeakPolarHBondContact O-CG 3.42Å; E643-L647 PolarHBondContact O-N 3.38Å; L647-K649 VanDerWaalsContact C-N 3.33Å
648Q87Confident79.6Confident161 Ų161131.2 Ų131.275%0.75259%0.593SS**Hα-helixtrans-73.6-21.6175.2-80.3178.8-1.400113.9K644 I646K644-Q648 WeakPolarHBondContact O-CB 3.48Å; K644-Q648 VanDerWaalsContact O-CG 3.29Å; K644-Q648 WeakPolarHBondContact O-CG 3.45Å; K644-Q648 PolarHBondContact O-N 2.99Å; I646-Q648 VanDerWaalsContact C-N 3.26Å; I646-Q648 PolarHBondContact O-N 2.97Å
649K87.2Confident77.9Confident178 Ų178136.9 Ų136.977%0.77461%0.608SS**THydrogen-bonded Turntrans-99.320.1-179.8-69.4-178.6177.5-178.70112.7E645 I646 L647 G651E645-K649 WeakPolarHBondContact O-CG 3.49Å; E645-K649 PolarHBondContact O-N 2.81Å; I646-K649 PolarHBondContact O-N 2.91Å; I646-K649 VanDerWaalsContact O-N 3.12Å; L647-K649 VanDerWaalsContact C-N 3.33Å; K649-G651 PolarHBondContact O-N 3.27Å; K649-G651 VanDerWaalsContact O-N 3.09Å
650D78.9Confident76.4Confident163 Ų163139.7 Ų139.787%0.87262%0.624SS**THydrogen-bonded Turntrans5227-172.3-68.5-33.6000114
651G76.2Confident74.5Confident31 Ų31143.2 Ų143.232%0.3264%0.637SS.*  trans-84.2141.6176.700000112.1I646 K649 W653I646-G651 WeakPolarHBondContact CG2-O 3.11Å; I646-G651 WeakPolarHBondContact O-CA 3.42Å; I646-G651 PolarHBondContact O-N 3.06Å; K649-G651 PolarHBondContact O-N 3.27Å; K649-G651 VanDerWaalsContact O-N 3.09Å; G651-W653 PolarHBondContact O-N 3.27Å
652R77.2Confident72.8Confident221 Ų221145.3 Ų145.383%0.83465%0.649SS**  trans-74.9116.1173.1-169.1-178.9-173.2-168.12.2110
653W73Confident71.3Confident68 Ų68152.8 Ų152.826%0.25867%0.671SS.*  trans-87.7106.3173.7-178.1-113.6000110.9I639 L642 E643 I646 G651 R655I639-W653 HydrophobicContact CG2-CH2 4.4Å; I639-W653 HydrophobicContact CG2-CZ2 3.81Å; L642-W653 HydrophobicContact CB-CH2 4.43Å; L642-W653 HydrophobicContact CD2-CH2 3.81Å; L642-W653 HydrophobicContact CD2-CZ3 3.78Å; L642-W653 HydrophobicContact CG-CH2 4.36Å; L642-W653 HydrophobicContact CG-CZ3 4.16Å; E643-W653 HydrophobicContact CB-CD2 4.2Å; E643-W653 HydrophobicContact CB-CG 4.46Å; E643-W653 HydrophobicContact CB-CZ2 4.19Å; E643-W653 HydrophobicContact CG-CD2 4.36Å; E643-W653 HydrophobicContact CG-CG 4.09Å; I646-W653 HydrophobicContact CB-CE3 4.34Å; I646-W653 HydrophobicContact CD1-CE3 3.36Å; I646-W653 HydrophobicContact CD1-CZ3 3.34Å; I646-W653 HydrophobicContact CG1-CE3 4.43Å; I646-W653 HydrophobicContact CG2-CB 4.34Å; I646-W653 HydrophobicContact CG2-CE3 4.36Å; G651-W653 PolarHBondContact O-N 3.27Å; W653-R655 PolarHBondContact O-N 3.27Å
654E75.2Confident69.5Low144 Ų144159.3 Ų159.367%0.67370%0.699SS**  trans-78.2112.8170.4-69.3-171.8169.800109.6Y656E654-Y656 PolarHBondContact O-N 3.46Å
655R69.1Low67.4Low214 Ų214158.2 Ų158.281%0.80871%0.706SS**  trans-60.6108.2178.3-177.6-179.4-77168.9-3.2109W653 Q657W653-R655 PolarHBondContact O-N 3.27Å; R655-Q657 PolarHBondContact O-N 2.94Å
656Y60.9Low65.4Low190 Ų190166 Ų16675%0.74573%0.732SS**  trans-53.5113.8175.4-151-89.1000110.2E654 R658E654-Y656 PolarHBondContact O-N 3.46Å; Y656-R658 PolarHBondContact O-N 3.47Å
657Q57.3Low63.4Low174 Ų174172.8 Ų172.881%0.81376%0.76SS**  trans-68.2112.6172.4-97171.6-44.200108.3R655 Q659R655-Q657 PolarHBondContact O-N 2.94Å; Q657-Q659 PolarHBondContact O-N 3.25Å
658R56.1Low61.7Low225 Ų225174.5 Ų174.585%0.84978%0.775SS**  trans-57.8108.7173.1-76.9178.9171.3176.4-3.7109.2Y656 L660Y656-R658 PolarHBondContact O-N 3.47Å; R658-L660 PolarHBondContact O-N 3.22Å
659Q52.8Low59.7Low179 Ų179170.7 Ų170.784%0.83676%0.762SS**  trans-75.31.9176.7-67.5-175.1-7.700113.7Q657Q657-Q659 PolarHBondContact O-N 3.25Å
660L54.1Low57.7Low151 Ų151166.4 Ų166.479%0.79176%0.755SS**  trans-95.9103.9176.3-83.6145.2000110.9R658 Q662R658-L660 PolarHBondContact O-N 3.22Å; L660-Q662 PolarHBondContact O-N 3.14Å
661R46.7Very low56.4Low252 Ų252164 Ų16495%0.95175%0.75SS**  trans-62.4103.7164.3-98.1-176.2160.1-165.2-2.8109.1R663R661-R663 PolarHBondContact O-N 3.5Å
662Q55.2Low55.5Low182 Ų182164.6 Ų164.685%0.8576%0.757SS**PPolyproline II helixtrans-62.1119171.8-155.2174.87.700108.5L660 K664L660-Q662 PolarHBondContact O-N 3.14Å; Q662-K664 PolarHBondContact O-N 2.86Å
663R55.8Low54.6Low242 Ų242158 Ų15891%0.91374%0.739SS**PPolyproline II helixtrans-57.6129.9171-102.2-177.6164.9177.8-3.7107.8R661R661-R663 PolarHBondContact O-N 3.5Å
664K47.8Very low54Low197 Ų197163.8 Ų163.886%0.85776%0.76SS**PPolyproline II helixtrans-56.3133.5174.7-68.8-176.9178.8179.50108.4Q662 R666Q662-K664 PolarHBondContact O-N 2.86Å; K664-R666 PolarHBondContact O-N 3.47Å
665P44.4Very low53.7Low119 Ų119160.2 Ų160.277%0.77375%0.751SS**PPolyproline II helixtrans-55.5132.4175.222.5-31.3000108.7K667P665-K667 PolarHBondContact O-N 2.89Å
666R46.8Very low53.9Low243 Ų243156 Ų15692%0.91774%0.741SS**  trans-59.9115.5174.2-152.8175.7-173.2177.71.5105.8K664 T668K664-R666 PolarHBondContact O-N 3.47Å; R666-T668 PolarHBondContact O-N 3.47Å; R666-T668 VanDerWaalsContact O-N 3.14Å
667K45Very low53.9Low192 Ų192151.6 Ų151.684%0.83573%0.729SS**  trans-51.4125.6176.9-73.4-176.6177-178.60106.9P665 V669P665-K667 PolarHBondContact O-N 2.89Å; K667-V669 PolarHBondContact O-N 3.27Å
668T48.9Very low54.6Low138 Ų138147.5 Ų147.585%0.84771%0.713SS**  trans-52.5111.8170.239.20000106.7R666 S670R666-T668 PolarHBondContact O-N 3.47Å; R666-T668 VanDerWaalsContact O-N 3.14Å; T668-S670 PolarHBondContact O-N 2.98Å; T668-S670 VanDerWaalsContact O-N 3.09Å
669V44.8Very low55.7Low81 Ų81143.6 Ų143.649%0.49170%0.702SS.*  trans-54.8116.7179.2176.50000106.7K667 D673K667-V669 PolarHBondContact O-N 3.27Å; V669-D673 HydrophobicContact CG1-CB 3.09Å
670S45.3Very low56.8Low88 Ų88142.1 Ų142.162%0.61570%0.695SS**  trans-51.4142.7173.9175.70000108.4T668 G672 D673T668-S670 PolarHBondContact O-N 2.98Å; T668-S670 VanDerWaalsContact O-N 3.09Å; S670-G672 PolarHBondContact O-N 3.18Å; S670-D673 PolarHBondContact O-N 3.23Å
671S52.9Low57.8Low112 Ų112139.9 Ų139.978%0.78369%0.688SS**THydrogen-bonded Turntrans-51.2-20.7-176.144.50000114.5
672G57.5Low59.1Low45 Ų45135.9 Ų135.946%0.46468%0.677SS.*THydrogen-bonded Turntrans-70.7-29.1175.700000116.1S670 R674 S675S670-G672 PolarHBondContact O-N 3.18Å; G672-R674 VanDerWaalsContact C-N 3.31Å; G672-R674 PolarHBondContact O-N 3.25Å; G672-S675 PolarHBondContact O-OG 2.84Å
673D58Low59.2Low83 Ų83137.7 Ų137.744%0.44469%0.686SS.*Hα-helixtrans-77.6-19.7-176.9-104.63.5000112.3V669 S670 S675 E676 L677V669-D673 HydrophobicContact CG1-CB 3.09Å; S670-D673 PolarHBondContact O-N 3.23Å; D673-S675 PolarHBondContact O-N 3.19Å; D673-E676 PolarHBondContact O-N 3.39Å; D673-L677 PolarHBondContact O-N 3.44Å
674R60.3Low59.4Low188 Ų188132.5 Ų132.571%0.70967%0.674SS**Hα-helixtrans-64.8-30.7179.9-159.5175.1-174.8147.40.9111.7G672 L678G672-R674 VanDerWaalsContact C-N 3.31Å; G672-R674 PolarHBondContact O-N 3.25Å; R674-L678 HydrophobicContact CG-CD1 4.48Å; R674-L678 WeakPolarHBondContact O-CB 3.3Å; R674-L678 WeakPolarHBondContact O-CD1 3.33Å; R674-L678 WeakPolarHBondContact O-CG 3.44Å; R674-L678 PolarHBondContact O-N 2.89Å
675S68.1Low60Low69 Ų69129.1 Ų129.148%0.48367%0.665SS.*Hα-helixtrans-71-35.8174.421.10000113G672 D673 K679G672-S675 PolarHBondContact O-OG 2.84Å; D673-S675 PolarHBondContact O-N 3.19Å; S675-K679 WeakPolarHBondContact O-CG 3.32Å; S675-K679 PolarHBondContact O-N 3.43Å
676E72.8Confident60.8Low126 Ų126129.6 Ų129.659%0.58966%0.659SS**Hα-helixtrans-72.5-40.9174.7-76.7-166.5160.900112D673 L678 K679 Q680D673-E676 PolarHBondContact O-N 3.39Å; E676-L678 VanDerWaalsContact C-N 3.3Å; E676-L678 PolarHBondContact O-N 3.22Å; E676-K679 WeakPolarHBondContact O-CB 3.39Å; E676-K679 PolarHBondContact O-N 3.38Å; E676-K679 VanDerWaalsContact O-N 3.12Å; E676-Q680 PolarHBondContact O-N 3.35Å
677L61.5Low61.7Low97 Ų97122.9 Ų122.951%0.50864%0.643SS.*Hα-helixtrans-60.7-39.5172.6-95.7164.7000112.1D673 Q680 V681D673-L677 PolarHBondContact O-N 3.44Å; L677-Q680 PolarHBondContact O-N 3.27Å; L677-V681 VanDerWaalsContact O-CG2 3.3Å; L677-V681 WeakPolarHBondContact O-CG2 3.31Å; L677-V681 PolarHBondContact O-N 3.18Å; L677-V681 VanDerWaalsContact O-N 3.07Å
678L72.5Confident62.7Low88 Ų88118.6 Ų118.646%0.46163%0.631SS.*Hα-helixtrans-67.1-37.4174.4-75.7167.2000111.6R674 E676 Q680 V681 F682R674-L678 HydrophobicContact CG-CD1 4.48Å; R674-L678 WeakPolarHBondContact O-CB 3.3Å; R674-L678 WeakPolarHBondContact O-CD1 3.33Å; R674-L678 WeakPolarHBondContact O-CG 3.44Å; R674-L678 PolarHBondContact O-N 2.89Å; E676-L678 VanDerWaalsContact C-N 3.3Å; E676-L678 PolarHBondContact O-N 3.22Å; L678-Q680 VanDerWaalsContact C-N 3.33Å; L678-Q680 PolarHBondContact O-N 3.19Å; L678-V681 PolarHBondContact O-N 2.71Å; L678-F682 HydrophobicContact CD2-CD2 4.25Å; L678-F682 HydrophobicContact CD2-CE2 3.82Å; L678-F682 VanDerWaalsContact O-CD2 3.29Å; L678-F682 WeakPolarHBondContact O-CD2 3.36Å; L678-F682 PolarHBondContact O-N 2.69Å; L678-F682 VanDerWaalsContact O-N 3.15Å
679K78Confident63.6Low144 Ų144117.3 Ų117.363%0.62662%0.617SS**Hα-helixtrans-63.8-37.6173.2-76.9178.6178.7-178.10112.4S675 E676 Q683S675-K679 WeakPolarHBondContact O-CG 3.32Å; S675-K679 PolarHBondContact O-N 3.43Å; E676-K679 WeakPolarHBondContact O-CB 3.39Å; E676-K679 PolarHBondContact O-N 3.38Å; E676-K679 VanDerWaalsContact O-N 3.12Å; K679-Q683 WeakPolarHBondContact O-CB 3.29Å; K679-Q683 WeakPolarHBondContact O-CG 3.32Å; K679-Q683 PolarHBondContact O-N 3.27Å; K679-Q683 VanDerWaalsContact O-N 3.08Å
680Q76.6Confident65Low147 Ų147119.9 Ų119.969%0.68763%0.626SS**Hα-helixtrans-73.1-24.4177.2-77.3-175.1-10.400114.3E676 L677 L678E676-Q680 PolarHBondContact O-N 3.35Å; L677-Q680 PolarHBondContact O-N 3.27Å; L678-Q680 VanDerWaalsContact C-N 3.33Å; L678-Q680 PolarHBondContact O-N 3.19Å
681V74.4Confident66.5Low105 Ų105122.4 Ų122.464%0.63663%0.627SS**Hα-helixtrans-86.8-22.8177.9173.30000112.1L677 L678L677-V681 VanDerWaalsContact O-CG2 3.3Å; L677-V681 WeakPolarHBondContact O-CG2 3.31Å; L677-V681 PolarHBondContact O-N 3.18Å; L677-V681 VanDerWaalsContact O-N 3.07Å; L678-V681 PolarHBondContact O-N 2.71Å
682F74.3Confident67.6Low168 Ų168123.3 Ų123.374%0.73761%0.614SS**Hα-helixtrans-112.35.7-177.1-70.6-72.5000114.6L678L678-F682 HydrophobicContact CD2-CD2 4.25Å; L678-F682 HydrophobicContact CD2-CE2 3.82Å; L678-F682 VanDerWaalsContact O-CD2 3.29Å; L678-F682 WeakPolarHBondContact O-CD2 3.36Å; L678-F682 PolarHBondContact O-N 2.69Å; L678-F682 VanDerWaalsContact O-N 3.15Å
683Q57.4Low68.5Low219 Ų219130.4 Ų130.4100%1.02363%0.628SS**  trans-98.60159.7-79.2-175.8-23.500108.8K679K679-Q683 WeakPolarHBondContact O-CB 3.29Å; K679-Q683 WeakPolarHBondContact O-CG 3.32Å; K679-Q683 PolarHBondContact O-N 3.27Å; K679-Q683 VanDerWaalsContact O-N 3.08Å

Retrieved 683 of 683 residues in 163.6 ms (Link to these results)

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