A0A096M4W4_POEFO Loading...

RNA helicase

Probable RNA helicase. Required for RNA-mediated gene silencing by the RNA-induced silencing complex (RISC). Required for both miRNA-mediated translational repression and miRNA-mediated cleavage of complementary mRNAs by RISC.

AlphaFold DB , UniProt , Accession A0A096M4W4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,021 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.1Very low65Low239 Ų239109 Ų109100%1.17754%0.544SS*.  0112.10-95.8176.8161.600107.8K3M1-K3 PolarHBondContact O-N 3.26Å
2V43.2Very low65.8Low143 Ų143102.4 Ų102.487%0.86751%0.512SS*.  trans-72.3117.8178.8-178.80000108.2M4V2-M4 PolarHBondContact O-N 3.13Å
3K55.8Low66.8Low207 Ų20794.5 Ų94.590%0.947%0.473SS*.  trans-71.5109.7174.5-87.1179.6174.6175.60108.5M1M1-K3 PolarHBondContact O-N 3.26Å
4M73.4Confident67.5Low79 Ų7988.8 Ų88.839%0.38944%0.444SS..  trans-65.5141.7172.3-63.2-175.980.700110.2V2 A8 L9 I12 P52V2-M4 PolarHBondContact O-N 3.13Å; M4-A8 HydrophobicContact CE-CB 4.39Å; M4-L9 HydrophobicContact CB-CD1 4.49Å; M4-L9 HydrophobicContact CB-CD2 3.97Å; M4-L9 HydrophobicContact CB-CG 3.94Å; M4-L9 HydrophobicContact SD-CD2 4.15Å; M4-I12 HydrophobicContact CE-CD1 3.38Å; M4-I12 HydrophobicContact SD-CD1 4.26Å; M4-P52 HydrophobicContact SD-CB 4.08Å; M4-P52 HydrophobicContact SD-CG 4.05Å
5S79.1Confident67.7Low71 Ų7186.7 Ų86.750%0.49744%0.435SS..  trans-65.8151178.573.10000111.1R7 A8 L9S5-R7 PolarHBondContact O-N 3.45Å; S5-R7 VanDerWaalsContact O-N 3.17Å; S5-A8 PolarHBondContact O-N 3.11Å; S5-A8 WeakPolarHBondContact OG-CB 3.37Å; S5-A8 PolarHBondContact OG-N 2.8Å; S5-L9 PolarHBondContact O-N 3.07Å
6L70.3Confident68.5Low79 Ų7981.5 Ų81.541%0.41441%0.409SS..Hα-helixtrans-57.3-32.4178.4-163.9115.9000111.8C10 A60 V63L6-C10 VanDerWaalsContact O-CB 3.27Å; L6-C10 WeakPolarHBondContact O-CB 3.37Å; L6-C10 PolarHBondContact O-N 3.44Å; L6-A60 HydrophobicContact CG-CB 4.5Å; L6-V63 HydrophobicContact CD1-CG1 4.26Å; L6-V63 HydrophobicContact CD2-CB 4.46Å; L6-V63 HydrophobicContact CD2-CG1 3.9Å
7R66.2Low69.1Low217 Ų21777.1 Ų77.182%0.81939%0.386SS*.Hα-helixtrans-68.3-42.9175.5-165.7175.9-176.8173.30.4112.3S5 C10 Q11S5-R7 PolarHBondContact O-N 3.45Å; S5-R7 VanDerWaalsContact O-N 3.17Å; R7-C10 PolarHBondContact O-N 3.17Å; R7-Q11 PolarHBondContact O-N 2.95Å
8A66.8Low68.9Low35 Ų3574.2 Ų74.229%0.28937%0.372SS..Hα-helixtrans-67.4-41.2176.300000112M4 S5 C10 Q11 I12M4-A8 HydrophobicContact CE-CB 4.39Å; S5-A8 PolarHBondContact O-N 3.11Å; S5-A8 WeakPolarHBondContact OG-CB 3.37Å; S5-A8 PolarHBondContact OG-N 2.8Å; A8-C10 VanDerWaalsContact C-N 3.32Å; A8-C10 PolarHBondContact O-N 2.82Å; A8-Q11 PolarHBondContact O-N 2.76Å; A8-I12 WeakPolarHBondContact O-CG1 3.49Å; A8-I12 PolarHBondContact O-N 3.25Å
9L76.9Confident69.2Low25 Ų2570.6 Ų70.613%0.13135%0.353CS..Hα-helixtrans-64.3-36.7175-70.5174000112.6M4 S5 G13 P52 A60M4-L9 HydrophobicContact CB-CD1 4.49Å; M4-L9 HydrophobicContact CB-CD2 3.97Å; M4-L9 HydrophobicContact CB-CG 3.94Å; M4-L9 HydrophobicContact SD-CD2 4.15Å; S5-L9 PolarHBondContact O-N 3.07Å; L9-G13 PolarHBondContact O-N 2.83Å; L9-P52 HydrophobicContact CD2-CB 3.35Å; L9-P52 HydrophobicContact CD2-CG 3.62Å; L9-A60 HydrophobicContact CB-CB 3.5Å; L9-A60 VanDerWaalsContact CB-CB 3.5Å
10C75.1Confident69.4Low10 Ų1067.2 Ų67.27%0.06834%0.336CS..Hα-helixtrans-66.9-42.1175.2-172.50000111.1L6 R7 A8 G13 L14 A60 C64L6-C10 VanDerWaalsContact O-CB 3.27Å; L6-C10 WeakPolarHBondContact O-CB 3.37Å; L6-C10 PolarHBondContact O-N 3.44Å; R7-C10 PolarHBondContact O-N 3.17Å; A8-C10 VanDerWaalsContact C-N 3.32Å; A8-C10 PolarHBondContact O-N 2.82Å; C10-G13 WeakPolarHBondContact O-CA 3.34Å; C10-G13 PolarHBondContact O-N 2.94Å; C10-G13 VanDerWaalsContact O-N 3.14Å; C10-L14 WeakPolarHBondContact O-CG 3.46Å; C10-L14 PolarHBondContact O-N 3.3Å; C10-A60 HydrophobicContact CB-CB 4.33Å; C10-C64 HydrophobicContact CB-CB 4.47Å; C10-C64 WeakPolarHBondContact SG-CB 3.23Å
11Q69.1Low69.2Low94 Ų9466.1 Ų66.144%0.43933%0.331SS..Hα-helixtrans-61.2-47.7176.5-170.759.249.300111.7R7 A8 G13 L14 D15R7-Q11 PolarHBondContact O-N 2.95Å; A8-Q11 PolarHBondContact O-N 2.76Å; Q11-G13 PolarHBondContact O-N 2.91Å; Q11-G13 VanDerWaalsContact O-N 3.15Å; Q11-L14 CarbonylContact O-C 3.52Å; Q11-L14 WeakPolarHBondContact O-CA 3.34Å; Q11-L14 WeakPolarHBondContact O-CB 3.31Å; Q11-L14 PolarHBondContact O-N 3.02Å; Q11-D15 PolarHBondContact NE2-OD1 3.17Å; Q11-D15 PolarHBondContact O-N 3.19Å
12I74.4Confident69.7Low30 Ų3060 Ų6015%0.15430%0.3CS..Hα-helixtrans-58.1-32.8175.6-67.7166.8000111.7M4 A8 F16 Y38 F42 P52 V57M4-I12 HydrophobicContact CE-CD1 3.38Å; M4-I12 HydrophobicContact SD-CD1 4.26Å; A8-I12 WeakPolarHBondContact O-CG1 3.49Å; A8-I12 PolarHBondContact O-N 3.25Å; I12-F16 WeakPolarHBondContact O-CB 3.48Å; I12-F16 PolarHBondContact O-N 3.23Å; I12-Y38 HydrophobicContact CG2-CE2 4.45Å; I12-F42 HydrophobicContact CG2-CE1 4.15Å; I12-P52 HydrophobicContact CD1-CG 3.75Å; I12-P52 HydrophobicContact CG2-CG 4.02Å; I12-V57 HydrophobicContact CG2-CG2 4.05Å
13G78.9Confident70.6Confident0 Ų055.4 Ų55.40%027%0.272CS..Hα-helixtrans-72.2-29.7174.100000114.5L9 C10 Q11 F17L9-G13 PolarHBondContact O-N 2.83Å; C10-G13 WeakPolarHBondContact O-CA 3.34Å; C10-G13 PolarHBondContact O-N 2.94Å; C10-G13 VanDerWaalsContact O-N 3.14Å; Q11-G13 PolarHBondContact O-N 2.91Å; Q11-G13 VanDerWaalsContact O-N 3.15Å; G13-F17 PolarHBondContact O-N 2.84Å
14L76.6Confident71.2Confident14 Ų1449.5 Ų49.57%0.07325%0.248CC..Hα-helixtrans-74.3-40.8171.8-65.2173.5000110.5C10 Q11 F16 F17 E18 L61 K66 V80 F83C10-L14 WeakPolarHBondContact O-CG 3.46Å; C10-L14 PolarHBondContact O-N 3.3Å; Q11-L14 CarbonylContact O-C 3.52Å; Q11-L14 WeakPolarHBondContact O-CA 3.34Å; Q11-L14 WeakPolarHBondContact O-CB 3.31Å; Q11-L14 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 3.48Å; L14-F17 CarbonylContact O-C 3.54Å; L14-F17 WeakPolarHBondContact O-CA 3.46Å; L14-F17 WeakPolarHBondContact O-CB 3.22Å; L14-F17 PolarHBondContact O-N 2.72Å; L14-E18 PolarHBondContact O-N 2.88Å; L14-L61 HydrophobicContact CD2-CD2 4.26Å; L14-L61 HydrophobicContact CG-CD2 4.37Å; L14-K66 HydrophobicContact CD2-CG 4.42Å; L14-V80 HydrophobicContact CD2-CG1 3.71Å; L14-V80 HydrophobicContact CD2-CG2 4.1Å; L14-F83 HydrophobicContact CD1-CE1 4.47Å
15D70.5Confident71.3Confident58 Ų5849.9 Ų49.931%0.3125%0.245SC..Hα-helixtrans-62.7-37.3175.1-54.1-15.8000110.8Q11 F17 E18 F19 F42Q11-D15 PolarHBondContact NE2-OD1 3.17Å; Q11-D15 PolarHBondContact O-N 3.19Å; D15-F17 VanDerWaalsContact C-N 3.33Å; D15-E18 PolarHBondContact O-N 3.27Å; D15-F19 PolarHBondContact O-N 3.01Å; D15-F42 HydrophobicContact CB-CZ 3.9Å; D15-F42 WeakPolarHBondContact O-CE2 3.36Å
16F81.4Confident71.1Confident3 Ų348.4 Ų48.41%0.01323%0.233CC..Hα-helixtrans-65.1-37.1172.2179.1-122.4000112.5I12 L14 F19 L20 L34 I37 Y38 F42 F54I12-F16 WeakPolarHBondContact O-CB 3.48Å; I12-F16 PolarHBondContact O-N 3.23Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 3.48Å; F16-F19 AromaticContact CD2-CD1 3.99Å; F16-F19 HydrophobicContact CD2-CD1 3.99Å; F16-F19 AromaticContact CE2-CD1 3.99Å; F16-F19 HydrophobicContact CE2-CD1 3.99Å; F16-F19 HydrophobicContact CE2-CE1 4.43Å; F16-F19 PolarHBondContact O-N 3.24Å; F16-L20 HydrophobicContact CD1-CD1 4.17Å; F16-L20 HydrophobicContact CE1-CD1 3.71Å; F16-L20 HydrophobicContact CE1-CG 4.41Å; F16-L20 HydrophobicContact CE2-CD1 4.42Å; F16-L20 HydrophobicContact CE2-CD2 4.42Å; F16-L20 HydrophobicContact CE2-CG 4.26Å; F16-L20 HydrophobicContact CZ-CD1 3.85Å; F16-L20 HydrophobicContact CZ-CD2 4.22Å; F16-L20 HydrophobicContact CZ-CG 4.12Å; F16-L20 WeakPolarHBondContact O-CG 3.46Å; F16-L20 PolarHBondContact O-N 3.26Å; F16-L20 VanDerWaalsContact O-N 3.07Å; F16-L34 HydrophobicContact CE1-CD2 4.43Å; F16-L34 VanDerWaalsContact CZ-O 3.28Å; F16-L34 WeakPolarHBondContact CZ-O 3.33Å; F16-I37 HydrophobicContact CE2-CG2 4.08Å; F16-I37 HydrophobicContact CZ-CG2 4.29Å; F16-Y38 HydrophobicContact CB-CD2 4.15Å; F16-Y38 HydrophobicContact CB-CE2 4.31Å; F16-Y38 AromaticContact CD1-CD2 3.92Å; F16-Y38 HydrophobicContact CD1-CD2 3.92Å; F16-Y38 AromaticContact CD2-CD2 3.57Å; F16-Y38 HydrophobicContact CD2-CD2 3.57Å; F16-Y38 HydrophobicContact CD2-CE2 4.44Å; F16-Y38 HydrophobicContact CD2-CG 4.39Å; F16-Y38 HydrophobicContact CE1-CD2 4.21Å; F16-Y38 VanDerWaalsContact CE2-CA 3.5Å; F16-Y38 AromaticContact CE2-CD2 3.88Å; F16-Y38 HydrophobicContact CE2-CD2 3.88Å; F16-Y38 HydrophobicContact CE2-CG 4.26Å; F16-Y38 AromaticContact CG-CD2 3.59Å; F16-Y38 HydrophobicContact CG-CD2 3.59Å; F16-Y38 HydrophobicContact CG-CE2 4.24Å; F16-Y38 HydrophobicContact CZ-CD2 4.19Å; F16-Y38 HydrophobicContact CZ-CG 4.42Å; F16-F42 VanDerWaalsContact CA-CZ 3.47Å; F16-F42 HydrophobicContact CB-CD1 4.04Å; F16-F42 HydrophobicContact CB-CE1 3.72Å; F16-F42 HydrophobicContact CB-CE2 4.28Å; F16-F42 HydrophobicContact CB-CG 4.45Å; F16-F42 HydrophobicContact CB-CZ 3.85Å; F16-F42 HydrophobicContact CD2-CB 3.73Å; F16-F42 AromaticContact CD2-CD1 3.7Å; F16-F42 HydrophobicContact CD2-CD1 3.7Å; F16-F42 AromaticContact CD2-CD2 3.9Å; F16-F42 HydrophobicContact CD2-CD2 3.9Å; F16-F42 HydrophobicContact CD2-CE1 4.25Å; F16-F42 HydrophobicContact CD2-CE2 4.43Å; F16-F42 AromaticContact CD2-CG 3.5Å; F16-F42 HydrophobicContact CD2-CG 3.5Å; F16-F42 HydrophobicContact CE2-CB 3.95Å; F16-F42 HydrophobicContact CE2-CG 4.23Å; F16-F42 HydrophobicContact CG-CD1 4.24Å; F16-F42 HydrophobicContact CG-CE1 4.42Å; F16-F42 HydrophobicContact CG-CG 4.42Å; F16-F42 VanDerWaalsContact N-CZ 3.29Å; F16-F54 HydrophobicContact CD1-CE2 4.15Å; F16-F54 HydrophobicContact CE1-CD2 4.47Å; F16-F54 AromaticContact CE1-CE2 3.64Å; F16-F54 HydrophobicContact CE1-CE2 3.64Å; F16-F54 HydrophobicContact CE1-CZ 4.43Å; F16-F54 HydrophobicContact CZ-CE2 4.35Å
17F78.8Confident71.4Confident6 Ų649.2 Ų49.23%0.02625%0.246CC..Hα-helixtrans-69.6-35.8175.2-175.6-111.1000112.1G13 L14 D15 L20 N21 T26 F76 V80 R81 V84G13-F17 PolarHBondContact O-N 2.84Å; L14-F17 CarbonylContact O-C 3.54Å; L14-F17 WeakPolarHBondContact O-CA 3.46Å; L14-F17 WeakPolarHBondContact O-CB 3.22Å; L14-F17 PolarHBondContact O-N 2.72Å; D15-F17 VanDerWaalsContact C-N 3.33Å; F17-L20 PolarHBondContact O-N 3.19Å; F17-N21 PolarHBondContact O-N 2.83Å; F17-T26 HydrophobicContact CE2-CG2 3.82Å; F17-T26 HydrophobicContact CZ-CG2 3.96Å; F17-F76 HydrophobicContact CB-CD1 4Å; F17-F76 HydrophobicContact CB-CE1 3.55Å; F17-F76 HydrophobicContact CB-CE2 4.41Å; F17-F76 HydrophobicContact CB-CZ 3.78Å; F17-F76 HydrophobicContact CD1-CD1 4.31Å; F17-F76 HydrophobicContact CD1-CG 4.47Å; F17-F76 HydrophobicContact CD2-CB 4.09Å; F17-F76 AromaticContact CD2-CD1 3.59Å; F17-F76 HydrophobicContact CD2-CD1 3.59Å; F17-F76 AromaticContact CD2-CD2 3.16Å; F17-F76 HydrophobicContact CD2-CD2 3.16Å; F17-F76 AromaticContact CD2-CE1 3.7Å; F17-F76 HydrophobicContact CD2-CE1 3.7Å; F17-F76 AromaticContact CD2-CE2 3.31Å; F17-F76 HydrophobicContact CD2-CE2 3.31Å; F17-F76 AromaticContact CD2-CG 3.31Å; F17-F76 HydrophobicContact CD2-CG 3.31Å; F17-F76 AromaticContact CD2-CZ 3.56Å; F17-F76 HydrophobicContact CD2-CZ 3.56Å; F17-F76 HydrophobicContact CE2-CB 3.77Å; F17-F76 HydrophobicContact CE2-CD1 4.17Å; F17-F76 AromaticContact CE2-CD2 3.35Å; F17-F76 HydrophobicContact CE2-CD2 3.35Å; F17-F76 AromaticContact CE2-CE2 3.94Å; F17-F76 HydrophobicContact CE2-CE2 3.94Å; F17-F76 AromaticContact CE2-CG 3.48Å; F17-F76 HydrophobicContact CE2-CG 3.48Å; F17-F76 VanDerWaalsContact CE2-CG 3.48Å; F17-F76 AromaticContact CG-CD1 3.67Å; F17-F76 HydrophobicContact CG-CD1 3.67Å; F17-F76 HydrophobicContact CG-CD2 4.11Å; F17-F76 AromaticContact CG-CE1 3.72Å; F17-F76 HydrophobicContact CG-CE1 3.72Å; F17-F76 HydrophobicContact CG-CE2 4.17Å; F17-F76 AromaticContact CG-CG 3.86Å; F17-F76 HydrophobicContact CG-CG 3.86Å; F17-F76 AromaticContact CG-CZ 3.97Å; F17-F76 HydrophobicContact CG-CZ 3.97Å; F17-F76 HydrophobicContact CZ-CB 4.06Å; F17-F76 HydrophobicContact CZ-CD2 4.42Å; F17-F76 HydrophobicContact CZ-CG 4.18Å; F17-V80 HydrophobicContact CD1-CG1 3.57Å; F17-V80 HydrophobicContact CE1-CG1 3.93Å; F17-V80 HydrophobicContact CG-CG1 4.22Å; F17-R81 HydrophobicContact CE1-CG 4.29Å; F17-R81 HydrophobicContact CZ-CG 3.82Å; F17-V84 HydrophobicContact CD1-CB 3.95Å; F17-V84 HydrophobicContact CD1-CG1 4.18Å; F17-V84 HydrophobicContact CD1-CG2 3.7Å; F17-V84 HydrophobicContact CE1-CB 3.97Å; F17-V84 HydrophobicContact CE1-CG1 4.3Å; F17-V84 HydrophobicContact CE1-CG2 4.19Å
18E64.6Low72.3Confident26 Ų2640.8 Ų40.812%0.12122%0.216CC..Hα-helixtrans-63.4-44171.9-167.7172-159.200111.1L14 D15 L20 N21 E22 V84 R91L14-E18 PolarHBondContact O-N 2.88Å; D15-E18 PolarHBondContact O-N 3.27Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 2.78Å; E18-N21 CarbonylContact O-C 3.59Å; E18-N21 WeakPolarHBondContact O-CA 3.32Å; E18-N21 VanDerWaalsContact O-CB 3.29Å; E18-N21 WeakPolarHBondContact O-CB 3.41Å; E18-N21 PolarHBondContact O-N 3.04Å; E18-E22 WeakPolarHBondContact O-CG 3.46Å; E18-E22 PolarHBondContact O-N 2.87Å; E18-V84 HydrophobicContact CB-CG1 4.14Å; E18-V84 HydrophobicContact CG-CG1 4.19Å; E18-R91 IonicContact OE1-CZ 3.6Å; E18-R91 IonicContact OE1-NH1 3.65Å; E18-R91 PolarHBondContact OE1-NH1 3.33Å; E18-R91 IonicContact OE2-NH1 3.15Å
19F74.7Confident73.2Confident6 Ų640.6 Ų40.63%0.02621%0.211CC..Hα-helixtrans-57.8-41.7172.5167.7-118000113.4D15 F16 N21 T23 I37 E41 F42 R45D15-F19 PolarHBondContact O-N 3.01Å; F16-F19 AromaticContact CD2-CD1 3.99Å; F16-F19 HydrophobicContact CD2-CD1 3.99Å; F16-F19 AromaticContact CE2-CD1 3.99Å; F16-F19 HydrophobicContact CE2-CD1 3.99Å; F16-F19 HydrophobicContact CE2-CE1 4.43Å; F16-F19 PolarHBondContact O-N 3.24Å; F19-N21 PolarHBondContact O-N 3.45Å; F19-T23 HydrophobicContact CD2-CG2 3.95Å; F19-T23 HydrophobicContact CE2-CG2 3.52Å; F19-T23 HydrophobicContact CZ-CG2 4.15Å; F19-T23 WeakPolarHBondContact O-CB 3.48Å; F19-T23 WeakPolarHBondContact O-CG2 3.35Å; F19-T23 PolarHBondContact O-N 2.97Å; F19-T23 VanDerWaalsContact O-N 3.11Å; F19-T23 PolarHBondContact O-OG1 3.39Å; F19-I37 HydrophobicContact CD1-CG2 4.45Å; F19-I37 HydrophobicContact CE1-CG2 3.67Å; F19-E41 HydrophobicContact CE1-CB 4.08Å; F19-E41 HydrophobicContact CZ-CB 3.79Å; F19-F42 HydrophobicContact CB-CD2 3.56Å; F19-F42 HydrophobicContact CB-CE2 3.7Å; F19-F42 HydrophobicContact CD1-CB 3.87Å; F19-F42 AromaticContact CD1-CD2 3.59Å; F19-F42 HydrophobicContact CD1-CD2 3.59Å; F19-F42 HydrophobicContact CD1-CG 4.11Å; F19-F42 HydrophobicContact CD2-CD2 4.49Å; F19-F42 HydrophobicContact CE1-CB 3.96Å; F19-F42 HydrophobicContact CE1-CD2 4.4Å; F19-F42 AromaticContact CG-CD2 3.61Å; F19-F42 HydrophobicContact CG-CD2 3.61Å; F19-F42 HydrophobicContact CG-CE2 4.27Å; F19-R45 VanDerWaalsContact CD2-NH1 3.26Å
20L73.9Confident73.8Confident2 Ų241.8 Ų41.81%0.0122%0.218CC..Hα-helixtrans-65.6-28.4173.9-69169000111.8F16 F17 E18 E24 R25 T26 L34 I37F16-L20 HydrophobicContact CD1-CD1 4.17Å; F16-L20 HydrophobicContact CE1-CD1 3.71Å; F16-L20 HydrophobicContact CE1-CG 4.41Å; F16-L20 HydrophobicContact CE2-CD1 4.42Å; F16-L20 HydrophobicContact CE2-CD2 4.42Å; F16-L20 HydrophobicContact CE2-CG 4.26Å; F16-L20 HydrophobicContact CZ-CD1 3.85Å; F16-L20 HydrophobicContact CZ-CD2 4.22Å; F16-L20 HydrophobicContact CZ-CG 4.12Å; F16-L20 WeakPolarHBondContact O-CG 3.46Å; F16-L20 PolarHBondContact O-N 3.26Å; F16-L20 VanDerWaalsContact O-N 3.07Å; F17-L20 PolarHBondContact O-N 3.19Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 2.78Å; L20-E24 PolarHBondContact O-N 3.13Å; L20-R25 HydrophobicContact CD2-CB 3.94Å; L20-R25 CarbonylContact O-C 3.56Å; L20-R25 WeakPolarHBondContact O-CA 3.31Å; L20-R25 PolarHBondContact O-N 3.45Å; L20-T26 HydrophobicContact CB-CG2 4.23Å; L20-T26 PolarHBondContact O-N 3.37Å; L20-L34 HydrophobicContact CD1-CD2 3.49Å; L20-L34 VanDerWaalsContact CD1-CD2 3.49Å; L20-L34 HydrophobicContact CD2-CD2 4.17Å; L20-I37 HydrophobicContact CD2-CD1 4.29Å; L20-I37 HydrophobicContact CD2-CG2 3.91Å
21N63.6Low74.4Confident44 Ų4445.3 Ų45.324%0.23523%0.23CC..Hα-helixtrans-75.6-46.8176.5-162.163.3000112F17 E18 F19 T23 E24 T26 V84F17-N21 PolarHBondContact O-N 2.83Å; E18-N21 CarbonylContact O-C 3.59Å; E18-N21 WeakPolarHBondContact O-CA 3.32Å; E18-N21 VanDerWaalsContact O-CB 3.29Å; E18-N21 WeakPolarHBondContact O-CB 3.41Å; E18-N21 PolarHBondContact O-N 3.04Å; F19-N21 PolarHBondContact O-N 3.45Å; N21-T23 PolarHBondContact O-N 3.21Å; N21-E24 PolarHBondContact O-N 2.67Å; N21-T26 VanDerWaalsContact CA-CG2 3.45Å; N21-T26 HydrophobicContact CB-CG2 3.68Å; N21-T26 WeakPolarHBondContact OD1-CG2 3.24Å; N21-V84 HydrophobicContact CB-CG1 4.4Å
22E51.5Low75.2Confident111 Ų11145.1 Ų45.152%0.51923%0.231SC..Hα-helixtrans-58.8-31.1174.8-69.5171.9174.400112.7E18 R45E18-E22 WeakPolarHBondContact O-CG 3.46Å; E18-E22 PolarHBondContact O-N 2.87Å; E22-R45 IonicContact OE2-NH1 3.33Å
23T61.7Low75.8Confident46 Ų4648.8 Ų48.828%0.28225%0.248SC..THydrogen-bonded Turntrans-96.85.4178.656.70000114F19 N21 R25F19-T23 HydrophobicContact CD2-CG2 3.95Å; F19-T23 HydrophobicContact CE2-CG2 3.52Å; F19-T23 HydrophobicContact CZ-CG2 4.15Å; F19-T23 WeakPolarHBondContact O-CB 3.48Å; F19-T23 WeakPolarHBondContact O-CG2 3.35Å; F19-T23 PolarHBondContact O-N 2.97Å; F19-T23 VanDerWaalsContact O-N 3.11Å; F19-T23 PolarHBondContact O-OG1 3.39Å; N21-T23 PolarHBondContact O-N 3.21Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 WeakPolarHBondContact O-CG 3.44Å; T23-R25 PolarHBondContact O-N 3.4Å
24E66.9Low76.2Confident84 Ų8449 Ų4939%0.39325%0.249SC..THydrogen-bonded Turntrans59.732.7179.9-55.3-173163.500115.6L20 N21 R102L20-E24 PolarHBondContact O-N 3.13Å; N21-E24 PolarHBondContact O-N 2.67Å; E24-R102 WeakPolarHBondContact OE1-CB 3.47Å; E24-R102 WeakPolarHBondContact OE1-CD 3.35Å; E24-R102 WeakPolarHBondContact OE1-CG 3.34Å; E24-R102 WeakPolarHBondContact OE2-CD 3.37Å; E24-R102 IonicContact OE2-CZ 2.9Å; E24-R102 IonicContact OE2-NE 3.45Å; E24-R102 IonicContact OE2-NH1 3.51Å; E24-R102 PolarHBondContact OE2-NH1 2.89Å
25R77.1Confident76.8Confident86 Ų8653.2 Ų53.233%0.32526%0.264SS..  trans-110.115.2-177.7-68174.2-165.5179.58.2113.4L20 T23 S27 I28 E41L20-R25 HydrophobicContact CD2-CB 3.94Å; L20-R25 CarbonylContact O-C 3.56Å; L20-R25 WeakPolarHBondContact O-CA 3.31Å; L20-R25 PolarHBondContact O-N 3.45Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 WeakPolarHBondContact O-CG 3.44Å; T23-R25 PolarHBondContact O-N 3.4Å; R25-S27 PolarHBondContact O-N 3.48Å; R25-I28 HydrophobicContact CB-CD1 3.8Å; R25-I28 HydrophobicContact CB-CG1 4.29Å; R25-I28 HydrophobicContact CG-CD1 4.07Å; R25-I28 WeakPolarHBondContact O-CB 3.49Å; R25-I28 WeakPolarHBondContact O-CG1 3.27Å; R25-I28 PolarHBondContact O-N 3.32Å; R25-I28 VanDerWaalsContact O-N 3.07Å; R25-E41 IonicContact CZ-OE2 3.77Å; R25-E41 IonicContact NH1-OE1 2.86Å; R25-E41 PolarHBondContact NH1-OE1 2.89Å; R25-E41 IonicContact NH1-OE2 3.21Å; R25-E41 PolarHBondContact NH1-OE2 3.25Å; R25-E41 IonicContact NH2-OE2 2.72Å
26T73.6Confident77.5Confident41 Ų4153.7 Ų53.725%0.25227%0.266SS..THydrogen-bonded Turntrans-67-13.5178.252.10000114.4F17 L20 N21 I28F17-T26 HydrophobicContact CE2-CG2 3.82Å; F17-T26 HydrophobicContact CZ-CG2 3.96Å; L20-T26 HydrophobicContact CB-CG2 4.23Å; L20-T26 PolarHBondContact O-N 3.37Å; N21-T26 VanDerWaalsContact CA-CG2 3.45Å; N21-T26 HydrophobicContact CB-CG2 3.68Å; N21-T26 WeakPolarHBondContact OD1-CG2 3.24Å; T26-I28 VanDerWaalsContact C-N 3.31Å
27S77.4Confident77.7Confident96 Ų9654.2 Ų54.267%0.67127%0.269SS*.THydrogen-bonded Turntrans-73.8-19.5171.956.60000113R25 T29R25-S27 PolarHBondContact O-N 3.48Å; S27-T29 PolarHBondContact O-N 2.91Å
28I84.6Confident78Confident39 Ų3954 Ų5420%0.227%0.268CS..  trans-71.1119.5178.3-57.1-179.6000109.3R25 T26 Q33 L34 I37R25-I28 HydrophobicContact CB-CD1 3.8Å; R25-I28 HydrophobicContact CB-CG1 4.29Å; R25-I28 HydrophobicContact CG-CD1 4.07Å; R25-I28 WeakPolarHBondContact O-CB 3.49Å; R25-I28 WeakPolarHBondContact O-CG1 3.27Å; R25-I28 PolarHBondContact O-N 3.32Å; R25-I28 VanDerWaalsContact O-N 3.07Å; T26-I28 VanDerWaalsContact C-N 3.31Å; I28-Q33 HydrophobicContact CG2-CB 3.91Å; I28-L34 HydrophobicContact CB-CD2 4.26Å; I28-L34 HydrophobicContact CG2-CD2 4.03Å; I28-L34 HydrophobicContact CG2-CG 4.02Å; I28-I37 HydrophobicContact CD1-CD1 3.61Å
29T86.3Confident78.8Confident31 Ų3154.8 Ų54.819%0.1927%0.273CS..  trans-113.3-12.2176.360.20000113.3S27 R31 N73 I74 R75S27-T29 PolarHBondContact O-N 2.91Å; T29-R31 PolarHBondContact O-N 3.38Å; T29-N73 CarbonylContact O-C 3.18Å; T29-N73 VanDerWaalsContact O-CA 3.29Å; T29-N73 WeakPolarHBondContact O-CA 3.29Å; T29-N73 PolarHBondContact O-OD1 3.2Å; T29-N73 PolarHBondContact OG1-OD1 3.02Å; T29-I74 WeakPolarHBondContact CA-O 3.33Å; T29-I74 WeakPolarHBondContact CB-O 3.12Å; T29-I74 PolarHBondContact O-N 3.4Å; T29-R75 HydrophobicContact CG2-CG 3.82Å
30D90.3Very high79Confident50 Ų5059 Ų5927%0.26730%0.296SS..BIsolated β-bridgetrans-68.3129.2-179.3-179.2-92.9000111.8L32 Q33 L34D30-L32 PolarHBondContact O-N 3.2Å; D30-L32 WeakPolarHBondContact OD1-CA 3.5Å; D30-L32 WeakPolarHBondContact OD1-CB 3.48Å; D30-L32 PolarHBondContact OD1-N 2.66Å; D30-Q33 HydrophobicContact CB-CB 4.19Å; D30-Q33 HydrophobicContact CB-CG 4.18Å; D30-Q33 PolarHBondContact OD1-N 3.38Å; D30-L34 WeakPolarHBondContact O-CB 3.33Å; D30-L34 VanDerWaalsContact O-CG 3.24Å; D30-L34 WeakPolarHBondContact O-CG 3.22Å; D30-L34 PolarHBondContact O-N 3.08Å
31R86.8Confident79.2Confident85 Ų8562.7 Ų62.732%0.32131%0.313SS..Hα-helixtrans-68.2-34.3-174.2174.9175.8179.7-137.8-2.4113.7T29 R35 R69 D72 I74T29-R31 PolarHBondContact O-N 3.38Å; R31-R35 VanDerWaalsContact O-CB 3.27Å; R31-R35 WeakPolarHBondContact O-CB 3.39Å; R31-R35 PolarHBondContact O-N 2.92Å; R31-R35 VanDerWaalsContact O-N 3.07Å; R31-R69 VanDerWaalsContact NH1-NH2 3.1Å; R31-D72 WeakPolarHBondContact CB-O 3.16Å; R31-D72 PolarHBondContact N-O 3.12Å; R31-I74 HydrophobicContact CB-CD1 3.68Å; R31-I74 HydrophobicContact CB-CG1 4.33Å; R31-I74 HydrophobicContact CG-CD1 3.69Å
32L86.6Confident79.8Confident90 Ų9061.8 Ų61.847%0.47131%0.307SS..Hα-helixtrans-73.5-43.6-179.9-67.4172.1000109.5D30 R35 D36D30-L32 PolarHBondContact O-N 3.2Å; D30-L32 WeakPolarHBondContact OD1-CA 3.5Å; D30-L32 WeakPolarHBondContact OD1-CB 3.48Å; D30-L32 PolarHBondContact OD1-N 2.66Å; L32-R35 WeakPolarHBondContact O-CB 3.47Å; L32-R35 PolarHBondContact O-N 2.97Å; L32-D36 PolarHBondContact O-N 3.32Å
33Q86.2Confident80.7Confident107 Ų10761 Ų6150%0.530%0.3SS..Hα-helixtrans-60.3-47.6174.1-68.4-176.3-4.200112.3I28 D30 R35 D36 I37I28-Q33 HydrophobicContact CG2-CB 3.91Å; D30-Q33 HydrophobicContact CB-CB 4.19Å; D30-Q33 HydrophobicContact CB-CG 4.18Å; D30-Q33 PolarHBondContact OD1-N 3.38Å; Q33-R35 VanDerWaalsContact C-N 3.28Å; Q33-R35 PolarHBondContact O-N 3.46Å; Q33-D36 PolarHBondContact O-N 3.24Å; Q33-I37 VanDerWaalsContact O-CG1 3.28Å; Q33-I37 WeakPolarHBondContact O-CG1 3.42Å; Q33-I37 PolarHBondContact O-N 3.08Å
34L87.8Confident80.6Confident3 Ų367.7 Ų67.72%0.01632%0.32CS..Hα-helixtrans-61.8-35.9176.9-71170.8000112.4F16 L20 I28 D30 Y38 F54 I74F16-L34 HydrophobicContact CE1-CD2 4.43Å; F16-L34 VanDerWaalsContact CZ-O 3.28Å; F16-L34 WeakPolarHBondContact CZ-O 3.33Å; L20-L34 HydrophobicContact CD1-CD2 3.49Å; L20-L34 VanDerWaalsContact CD1-CD2 3.49Å; L20-L34 HydrophobicContact CD2-CD2 4.17Å; I28-L34 HydrophobicContact CB-CD2 4.26Å; I28-L34 HydrophobicContact CG2-CD2 4.03Å; I28-L34 HydrophobicContact CG2-CG 4.02Å; D30-L34 WeakPolarHBondContact O-CB 3.33Å; D30-L34 VanDerWaalsContact O-CG 3.24Å; D30-L34 WeakPolarHBondContact O-CG 3.22Å; D30-L34 PolarHBondContact O-N 3.08Å; L34-Y38 VanDerWaalsContact O-CB 3.27Å; L34-Y38 WeakPolarHBondContact O-CB 3.47Å; L34-Y38 PolarHBondContact O-N 2.98Å; L34-F54 HydrophobicContact CB-CE1 4.43Å; L34-F54 HydrophobicContact CB-CE2 4.45Å; L34-F54 HydrophobicContact CB-CZ 3.73Å; L34-I74 HydrophobicContact CD1-CB 4.06Å; L34-I74 HydrophobicContact CD1-CD1 4.22Å; L34-I74 HydrophobicContact CD1-CG2 4.49Å
35R88.3Confident80Confident104 Ų10470 Ų7039%0.39233%0.325SS..Hα-helixtrans-66.1-42.3176.1-178.9-169.470.4-179-1.4111.4R31 L32 Q33 Y38 N39 F54R31-R35 VanDerWaalsContact O-CB 3.27Å; R31-R35 WeakPolarHBondContact O-CB 3.39Å; R31-R35 PolarHBondContact O-N 2.92Å; R31-R35 VanDerWaalsContact O-N 3.07Å; L32-R35 WeakPolarHBondContact O-CB 3.47Å; L32-R35 PolarHBondContact O-N 2.97Å; Q33-R35 VanDerWaalsContact C-N 3.28Å; Q33-R35 PolarHBondContact O-N 3.46Å; R35-Y38 PolarHBondContact O-N 2.72Å; R35-N39 WeakPolarHBondContact CG-ND2 3.41Å; R35-N39 WeakPolarHBondContact O-CB 3.49Å; R35-N39 PolarHBondContact O-N 2.98Å; R35-N39 PolarHBondContact O-ND2 3.25Å; R35-F54 HydrophobicContact CB-CD1 3.4Å; R35-F54 HydrophobicContact CB-CE1 3.62Å; R35-F54 HydrophobicContact CB-CG 4.12Å; R35-F54 HydrophobicContact CG-CB 4.11Å; R35-F54 HydrophobicContact CG-CD1 3.62Å; R35-F54 HydrophobicContact CG-CE1 4.35Å; R35-F54 HydrophobicContact CG-CG 4.1Å
36D85.9Confident78.6Confident67 Ų6769.8 Ų69.836%0.35833%0.333SS..Hα-helixtrans-72.2-41-176.1-63-11.3000110L32 Q33 Y38 N39 N40L32-D36 PolarHBondContact O-N 3.32Å; Q33-D36 PolarHBondContact O-N 3.24Å; D36-Y38 PolarHBondContact O-N 2.95Å; D36-N39 PolarHBondContact O-N 3.46Å; D36-N40 VanDerWaalsContact O-CB 3.24Å; D36-N40 WeakPolarHBondContact O-CB 3.33Å; D36-N40 PolarHBondContact O-N 3.43Å; D36-N40 PolarHBondContact O-ND2 3.16Å
37I84.6Confident77.2Confident15 Ų1574.3 Ų74.38%0.07736%0.363CS..Hα-helixtrans-59-46.3170-65165.6000110.6F16 F19 L20 I28 Q33 N39 E41 F42F16-I37 HydrophobicContact CE2-CG2 4.08Å; F16-I37 HydrophobicContact CZ-CG2 4.29Å; F19-I37 HydrophobicContact CD1-CG2 4.45Å; F19-I37 HydrophobicContact CE1-CG2 3.67Å; L20-I37 HydrophobicContact CD2-CD1 4.29Å; L20-I37 HydrophobicContact CD2-CG2 3.91Å; I28-I37 HydrophobicContact CD1-CD1 3.61Å; Q33-I37 VanDerWaalsContact O-CG1 3.28Å; Q33-I37 WeakPolarHBondContact O-CG1 3.42Å; Q33-I37 PolarHBondContact O-N 3.08Å; I37-N39 PolarHBondContact O-N 3.36Å; I37-E41 WeakPolarHBondContact O-CA 3.11Å; I37-E41 WeakPolarHBondContact O-CB 3.46Å; I37-E41 PolarHBondContact O-N 2.78Å; I37-F42 PolarHBondContact O-N 3.18Å
38Y85.2Confident76.2Confident0 Ų073.9 Ų73.90%037%0.374CS..Iπ-helixtrans-58.5-50.4177.3-178.4-88.6000111.6I12 F16 L34 R35 D36 F42 R43 P52 F54 V57I12-Y38 HydrophobicContact CG2-CE2 4.45Å; F16-Y38 HydrophobicContact CB-CD2 4.15Å; F16-Y38 HydrophobicContact CB-CE2 4.31Å; F16-Y38 AromaticContact CD1-CD2 3.92Å; F16-Y38 HydrophobicContact CD1-CD2 3.92Å; F16-Y38 AromaticContact CD2-CD2 3.57Å; F16-Y38 HydrophobicContact CD2-CD2 3.57Å; F16-Y38 HydrophobicContact CD2-CE2 4.44Å; F16-Y38 HydrophobicContact CD2-CG 4.39Å; F16-Y38 HydrophobicContact CE1-CD2 4.21Å; F16-Y38 VanDerWaalsContact CE2-CA 3.5Å; F16-Y38 AromaticContact CE2-CD2 3.88Å; F16-Y38 HydrophobicContact CE2-CD2 3.88Å; F16-Y38 HydrophobicContact CE2-CG 4.26Å; F16-Y38 AromaticContact CG-CD2 3.59Å; F16-Y38 HydrophobicContact CG-CD2 3.59Å; F16-Y38 HydrophobicContact CG-CE2 4.24Å; F16-Y38 HydrophobicContact CZ-CD2 4.19Å; F16-Y38 HydrophobicContact CZ-CG 4.42Å; L34-Y38 VanDerWaalsContact O-CB 3.27Å; L34-Y38 WeakPolarHBondContact O-CB 3.47Å; L34-Y38 PolarHBondContact O-N 2.98Å; R35-Y38 PolarHBondContact O-N 2.72Å; D36-Y38 PolarHBondContact O-N 2.95Å; Y38-F42 AromaticContact CD2-CD1 3.63Å; Y38-F42 HydrophobicContact CD2-CD1 3.63Å; Y38-F42 HydrophobicContact CD2-CE1 4.3Å; Y38-F42 HydrophobicContact CD2-CG 4.42Å; Y38-F42 AromaticContact CE2-CD1 3.48Å; Y38-F42 HydrophobicContact CE2-CD1 3.48Å; Y38-F42 VanDerWaalsContact CE2-CD1 3.48Å; Y38-F42 AromaticContact CE2-CE1 3.8Å; Y38-F42 HydrophobicContact CE2-CE1 3.8Å; Y38-F42 HydrophobicContact CG-CD1 4.5Å; Y38-F42 WeakPolarHBondContact O-CB 3.45Å; Y38-F42 PolarHBondContact O-N 3.1Å; Y38-R43 HydrophobicContact CD1-CB 4.47Å; Y38-R43 HydrophobicContact CE1-CB 4.29Å; Y38-R43 HydrophobicContact CE1-CG 4.17Å; Y38-R43 WeakPolarHBondContact O-CB 3.4Å; Y38-R43 PolarHBondContact O-N 3.42Å; Y38-P52 VanDerWaalsContact CE1-O 3.28Å; Y38-P52 WeakPolarHBondContact CE1-O 3.19Å; Y38-P52 PolarHBondContact OH-O 3Å; Y38-F54 VanDerWaalsContact CB-CD2 3.5Å; Y38-F54 HydrophobicContact CD1-CB 3.66Å; Y38-F54 AromaticContact CD1-CD2 3.89Å; Y38-F54 HydrophobicContact CD1-CD2 3.89Å; Y38-F54 HydrophobicContact CD1-CG 4.21Å; Y38-F54 AromaticContact CD2-CD2 3.76Å; Y38-F54 HydrophobicContact CD2-CD2 3.76Å; Y38-F54 HydrophobicContact CD2-CE2 4.36Å; Y38-F54 HydrophobicContact CE1-CB 4.12Å; Y38-F54 HydrophobicContact CE2-CD2 4.48Å; Y38-F54 HydrophobicContact CG-CB 4.12Å; Y38-F54 AromaticContact CG-CD2 3.43Å; Y38-F54 HydrophobicContact CG-CD2 3.43Å; Y38-F54 VanDerWaalsContact CG-CD2 3.43Å; Y38-F54 HydrophobicContact CG-CE2 4.24Å; Y38-F54 HydrophobicContact CG-CG 4.16Å; Y38-V57 HydrophobicContact CE2-CG1 4.48Å; Y38-V57 HydrophobicContact CE2-CG2 4.18Å; Y38-V57 WeakPolarHBondContact OH-CG2 3.4Å
39N82.6Confident74.9Confident43 Ų4376 Ų7623%0.2339%0.389CS..Iπ-helixtrans-74.5-32.8-173.5-74.3-37.8000114R35 D36 I37R35-N39 WeakPolarHBondContact CG-ND2 3.41Å; R35-N39 WeakPolarHBondContact O-CB 3.49Å; R35-N39 PolarHBondContact O-N 2.98Å; R35-N39 PolarHBondContact O-ND2 3.25Å; D36-N39 PolarHBondContact O-N 3.46Å; I37-N39 PolarHBondContact O-N 3.36Å
40N78.6Confident73.7Confident94 Ų9484.1 Ų84.150%0.50342%0.421SS..Iπ-helixtrans-94-35.4-173.9-64.5-25.7000112.5D36D36-N40 VanDerWaalsContact O-CB 3.24Å; D36-N40 WeakPolarHBondContact O-CB 3.33Å; D36-N40 PolarHBondContact O-N 3.43Å; D36-N40 PolarHBondContact O-ND2 3.16Å
41E77.2Confident72.7Confident81 Ų8183.2 Ų83.238%0.37942%0.417SS..Iπ-helixtrans-114.6-32.4-168.7-57.4176.8-125.100113.4F19 R25 I37F19-E41 HydrophobicContact CE1-CB 4.08Å; F19-E41 HydrophobicContact CZ-CB 3.79Å; R25-E41 IonicContact CZ-OE2 3.77Å; R25-E41 IonicContact NH1-OE1 2.86Å; R25-E41 PolarHBondContact NH1-OE1 2.89Å; R25-E41 IonicContact NH1-OE2 3.21Å; R25-E41 PolarHBondContact NH1-OE2 3.25Å; R25-E41 IonicContact NH2-OE2 2.72Å; I37-E41 WeakPolarHBondContact O-CA 3.11Å; I37-E41 WeakPolarHBondContact O-CB 3.46Å; I37-E41 PolarHBondContact O-N 2.78Å
42F76.3Confident72.4Confident25 Ų2579.9 Ų79.911%0.1141%0.406CS..Iπ-helixtrans-93.6-46.5-177.2-174.8-106.3000113.1I12 D15 F16 F19 I37 Y38 R44 R45I12-F42 HydrophobicContact CG2-CE1 4.15Å; D15-F42 HydrophobicContact CB-CZ 3.9Å; D15-F42 WeakPolarHBondContact O-CE2 3.36Å; F16-F42 VanDerWaalsContact CA-CZ 3.47Å; F16-F42 HydrophobicContact CB-CD1 4.04Å; F16-F42 HydrophobicContact CB-CE1 3.72Å; F16-F42 HydrophobicContact CB-CE2 4.28Å; F16-F42 HydrophobicContact CB-CG 4.45Å; F16-F42 HydrophobicContact CB-CZ 3.85Å; F16-F42 HydrophobicContact CD2-CB 3.73Å; F16-F42 AromaticContact CD2-CD1 3.7Å; F16-F42 HydrophobicContact CD2-CD1 3.7Å; F16-F42 AromaticContact CD2-CD2 3.9Å; F16-F42 HydrophobicContact CD2-CD2 3.9Å; F16-F42 HydrophobicContact CD2-CE1 4.25Å; F16-F42 HydrophobicContact CD2-CE2 4.43Å; F16-F42 AromaticContact CD2-CG 3.5Å; F16-F42 HydrophobicContact CD2-CG 3.5Å; F16-F42 HydrophobicContact CE2-CB 3.95Å; F16-F42 HydrophobicContact CE2-CG 4.23Å; F16-F42 HydrophobicContact CG-CD1 4.24Å; F16-F42 HydrophobicContact CG-CE1 4.42Å; F16-F42 HydrophobicContact CG-CG 4.42Å; F16-F42 VanDerWaalsContact N-CZ 3.29Å; F19-F42 HydrophobicContact CB-CD2 3.56Å; F19-F42 HydrophobicContact CB-CE2 3.7Å; F19-F42 HydrophobicContact CD1-CB 3.87Å; F19-F42 AromaticContact CD1-CD2 3.59Å; F19-F42 HydrophobicContact CD1-CD2 3.59Å; F19-F42 HydrophobicContact CD1-CG 4.11Å; F19-F42 HydrophobicContact CD2-CD2 4.49Å; F19-F42 HydrophobicContact CE1-CB 3.96Å; F19-F42 HydrophobicContact CE1-CD2 4.4Å; F19-F42 AromaticContact CG-CD2 3.61Å; F19-F42 HydrophobicContact CG-CD2 3.61Å; F19-F42 HydrophobicContact CG-CE2 4.27Å; I37-F42 PolarHBondContact O-N 3.18Å; Y38-F42 AromaticContact CD2-CD1 3.63Å; Y38-F42 HydrophobicContact CD2-CD1 3.63Å; Y38-F42 HydrophobicContact CD2-CE1 4.3Å; Y38-F42 HydrophobicContact CD2-CG 4.42Å; Y38-F42 AromaticContact CE2-CD1 3.48Å; Y38-F42 HydrophobicContact CE2-CD1 3.48Å; Y38-F42 VanDerWaalsContact CE2-CD1 3.48Å; Y38-F42 AromaticContact CE2-CE1 3.8Å; Y38-F42 HydrophobicContact CE2-CE1 3.8Å; Y38-F42 HydrophobicContact CG-CD1 4.5Å; Y38-F42 WeakPolarHBondContact O-CB 3.45Å; Y38-F42 PolarHBondContact O-N 3.1Å; F42-R44 PolarHBondContact O-N 3.39Å; F42-R45 PolarHBondContact O-N 3.22Å
43R71.9Confident72.4Confident95 Ų9579.4 Ų79.436%0.35840%0.404SS..THydrogen-bonded Turntrans-69.27.4-174.6-158.4-177.1-179.7-172.3-7.3115.2Y38 D51Y38-R43 HydrophobicContact CD1-CB 4.47Å; Y38-R43 HydrophobicContact CE1-CB 4.29Å; Y38-R43 HydrophobicContact CE1-CG 4.17Å; Y38-R43 WeakPolarHBondContact O-CB 3.4Å; Y38-R43 PolarHBondContact O-N 3.42Å; R43-D51 WeakPolarHBondContact CA-OD2 3.49Å; R43-D51 HydrophobicContact CG-CB 3.43Å; R43-D51 VanDerWaalsContact CG-CB 3.43Å; R43-D51 PolarHBondContact NE-O 3.26Å; R43-D51 VanDerWaalsContact NE-O 3.16Å; R43-D51 PolarHBondContact NH2-O 3.3Å; R43-D51 VanDerWaalsContact O-OD2 3.1Å
44R58.7Low72.4Confident185 Ų18575 Ų7570%0.69838%0.383SS*.THydrogen-bonded Turntrans-122.86.8-177.4-59.9-172.8-169.2-174.55.2113.6F42F42-R44 PolarHBondContact O-N 3.39Å
45R53.2Low72.2Confident134 Ų13476.6 Ų76.651%0.50640%0.401SS..SBendtrans-75.7-21.4-173.5-75.4179.5164.3-152.7-17.7114.8F19 E22 F42F19-R45 VanDerWaalsContact CD2-NH1 3.26Å; E22-R45 IonicContact OE2-NH1 3.33Å; F42-R45 PolarHBondContact O-N 3.22Å
46T49.3Very low72.1Confident81 Ų8173.7 Ų73.750%0.49740%0.396SS..SBendtrans-121.2108.3-178.810.80000111G48 T49T46-G48 PolarHBondContact O-N 3.25Å; T46-T49 PolarHBondContact O-OG1 3.33Å; T46-T49 PolarHBondContact OG1-OG1 3.24Å
47P44.1Very low72Confident135 Ų13570.5 Ų70.588%0.87738%0.379SS*.THydrogen-bonded Turntrans-62.7120.3174.9-19.230.8000110.7
48G55.3Low72.2Confident88 Ų8870.4 Ų70.491%0.90738%0.379SS*.THydrogen-bonded Turntrans104.9-4.2172.100000117.3T46T46-G48 PolarHBondContact O-N 3.25Å
49T57.2Low72.1Confident82 Ų8275.8 Ų75.850%0.50340%0.404SS..  trans-97.5135.1175.352.90000112.6T46 D51T46-T49 PolarHBondContact O-OG1 3.33Å; T46-T49 PolarHBondContact OG1-OG1 3.24Å; T49-D51 PolarHBondContact O-N 3.23Å; T49-D51 VanDerWaalsContact O-N 3.07Å; T49-D51 PolarHBondContact OG1-OD1 3.45Å; T49-D51 VanDerWaalsContact OG1-OD1 3.08Å
50K62.6Low72.2Confident202 Ų20273.8 Ų73.888%0.87839%0.393SS*.  trans-7985.1171.5-79.7-172.8179.3178.10109.8
51D69.1Low72.4Confident32 Ų3269.4 Ų69.417%0.17137%0.37CS..PPolyproline II helixtrans-65.5139.5-180-67.1-13.8000111.9R43 T49R43-D51 WeakPolarHBondContact CA-OD2 3.49Å; R43-D51 HydrophobicContact CG-CB 3.43Å; R43-D51 VanDerWaalsContact CG-CB 3.43Å; R43-D51 PolarHBondContact NE-O 3.26Å; R43-D51 VanDerWaalsContact NE-O 3.16Å; R43-D51 PolarHBondContact NH2-O 3.3Å; R43-D51 VanDerWaalsContact O-OD2 3.1Å; T49-D51 PolarHBondContact O-N 3.23Å; T49-D51 VanDerWaalsContact O-N 3.07Å; T49-D51 PolarHBondContact OG1-OD1 3.45Å; T49-D51 VanDerWaalsContact OG1-OD1 3.08Å
52P80.8Confident72.8Confident14 Ų1471.3 Ų71.39%0.09138%0.376CS..PPolyproline II helixtrans-66.7154-177.428.7-34.8000111.4M4 L9 I12 Y38 V57M4-P52 HydrophobicContact SD-CB 4.08Å; M4-P52 HydrophobicContact SD-CG 4.05Å; L9-P52 HydrophobicContact CD2-CB 3.35Å; L9-P52 HydrophobicContact CD2-CG 3.62Å; I12-P52 HydrophobicContact CD1-CG 3.75Å; I12-P52 HydrophobicContact CG2-CG 4.02Å; Y38-P52 VanDerWaalsContact CE1-O 3.28Å; Y38-P52 WeakPolarHBondContact CE1-O 3.19Å; Y38-P52 PolarHBondContact OH-O 3Å; P52-V57 HydrophobicContact CB-CG2 4.13Å; P52-V57 HydrophobicContact CG-CG2 3.63Å
53N84.9Confident73.1Confident80 Ų8073.8 Ų73.843%0.42839%0.394SS..PPolyproline II helixtrans-68.6150.4174.471.363.2000110.6G55 S56 V57N53-G55 PolarHBondContact O-N 3.22Å; N53-G55 VanDerWaalsContact O-N 3.11Å; N53-G55 WeakPolarHBondContact OD1-CA 3.43Å; N53-G55 PolarHBondContact OD1-N 2.92Å; N53-G55 VanDerWaalsContact OD1-N 3.08Å; N53-S56 PolarHBondContact ND2-OG 3.22Å; N53-S56 PolarHBondContact O-N 2.87Å; N53-S56 PolarHBondContact OD1-N 3.29Å; N53-S56 PolarHBondContact OD1-OG 3.05Å; N53-V57 PolarHBondContact O-N 3.48Å
54F87.5Confident73.4Confident14 Ų1471.2 Ų71.26%0.06139%0.39CS..Hα-helixtrans-54.7-33.9-178-175.7-117.1000113.3F16 L34 R35 Y38 V57 L58 I74F16-F54 HydrophobicContact CD1-CE2 4.15Å; F16-F54 HydrophobicContact CE1-CD2 4.47Å; F16-F54 AromaticContact CE1-CE2 3.64Å; F16-F54 HydrophobicContact CE1-CE2 3.64Å; F16-F54 HydrophobicContact CE1-CZ 4.43Å; F16-F54 HydrophobicContact CZ-CE2 4.35Å; L34-F54 HydrophobicContact CB-CE1 4.43Å; L34-F54 HydrophobicContact CB-CE2 4.45Å; L34-F54 HydrophobicContact CB-CZ 3.73Å; R35-F54 HydrophobicContact CB-CD1 3.4Å; R35-F54 HydrophobicContact CB-CE1 3.62Å; R35-F54 HydrophobicContact CB-CG 4.12Å; R35-F54 HydrophobicContact CG-CB 4.11Å; R35-F54 HydrophobicContact CG-CD1 3.62Å; R35-F54 HydrophobicContact CG-CE1 4.35Å; R35-F54 HydrophobicContact CG-CG 4.1Å; Y38-F54 VanDerWaalsContact CB-CD2 3.5Å; Y38-F54 HydrophobicContact CD1-CB 3.66Å; Y38-F54 AromaticContact CD1-CD2 3.89Å; Y38-F54 HydrophobicContact CD1-CD2 3.89Å; Y38-F54 HydrophobicContact CD1-CG 4.21Å; Y38-F54 AromaticContact CD2-CD2 3.76Å; Y38-F54 HydrophobicContact CD2-CD2 3.76Å; Y38-F54 HydrophobicContact CD2-CE2 4.36Å; Y38-F54 HydrophobicContact CE1-CB 4.12Å; Y38-F54 HydrophobicContact CE2-CD2 4.48Å; Y38-F54 HydrophobicContact CG-CB 4.12Å; Y38-F54 AromaticContact CG-CD2 3.43Å; Y38-F54 HydrophobicContact CG-CD2 3.43Å; Y38-F54 VanDerWaalsContact CG-CD2 3.43Å; Y38-F54 HydrophobicContact CG-CE2 4.24Å; Y38-F54 HydrophobicContact CG-CG 4.16Å; F54-V57 PolarHBondContact O-N 3.26Å; F54-L58 HydrophobicContact CZ-CD1 4.39Å; F54-L58 VanDerWaalsContact O-CB 3.3Å; F54-L58 WeakPolarHBondContact O-CB 3.38Å; F54-L58 PolarHBondContact O-N 3.25Å; F54-I74 HydrophobicContact CZ-CD1 4.42Å
55G83.9Confident74.3Confident38 Ų3868.6 Ų68.639%0.39239%0.39SS..Hα-helixtrans-62.9-42.6177.800000113.2N53 L58 H59N53-G55 PolarHBondContact O-N 3.22Å; N53-G55 VanDerWaalsContact O-N 3.11Å; N53-G55 WeakPolarHBondContact OD1-CA 3.43Å; N53-G55 PolarHBondContact OD1-N 2.92Å; N53-G55 VanDerWaalsContact OD1-N 3.08Å; G55-L58 PolarHBondContact O-N 3.21Å; G55-H59 WeakPolarHBondContact O-CB 3.36Å; G55-H59 PolarHBondContact O-N 3.37Å
56S84.6Confident75.5Confident43 Ų4365.4 Ų65.430%0.30138%0.379SS..Hα-helixtrans-66.8-39.1177.5-61.90000112.2N53 H59 A60N53-S56 PolarHBondContact ND2-OG 3.22Å; N53-S56 PolarHBondContact O-N 2.87Å; N53-S56 PolarHBondContact OD1-N 3.29Å; N53-S56 PolarHBondContact OD1-OG 3.05Å; S56-H59 PolarHBondContact O-N 3.04Å; S56-A60 PolarHBondContact O-N 3.17Å
57V85.3Confident77.2Confident0 Ų061.9 Ų61.90%036%0.358CS..Hα-helixtrans-65.2-46.9174.9175.90000110.9I12 Y38 P52 N53 F54 H59 A60 L61I12-V57 HydrophobicContact CG2-CG2 4.05Å; Y38-V57 HydrophobicContact CE2-CG1 4.48Å; Y38-V57 HydrophobicContact CE2-CG2 4.18Å; Y38-V57 WeakPolarHBondContact OH-CG2 3.4Å; P52-V57 HydrophobicContact CB-CG2 4.13Å; P52-V57 HydrophobicContact CG-CG2 3.63Å; N53-V57 PolarHBondContact O-N 3.48Å; F54-V57 PolarHBondContact O-N 3.26Å; V57-H59 VanDerWaalsContact C-N 3.3Å; V57-H59 PolarHBondContact O-N 3.17Å; V57-A60 PolarHBondContact O-N 3.45Å; V57-L61 HydrophobicContact CG1-CD1 4.17Å; V57-L61 WeakPolarHBondContact O-CG 3.19Å; V57-L61 PolarHBondContact O-N 3.19Å
58L87.3Confident79Confident12 Ų1259.1 Ų59.16%0.06334%0.338CS..Hα-helixtrans-62.5-39.2178.5-166.474000111.9F54 G55 K62 I67 I74F54-L58 HydrophobicContact CZ-CD1 4.39Å; F54-L58 VanDerWaalsContact O-CB 3.3Å; F54-L58 WeakPolarHBondContact O-CB 3.38Å; F54-L58 PolarHBondContact O-N 3.25Å; G55-L58 PolarHBondContact O-N 3.21Å; L58-K62 WeakPolarHBondContact O-CB 3.43Å; L58-K62 PolarHBondContact O-N 3.33Å; L58-I67 HydrophobicContact CD1-CD1 3.3Å; L58-I67 HydrophobicContact CG-CD1 3.8Å; L58-I67 WeakPolarHBondContact O-CD1 3.48Å; L58-I74 HydrophobicContact CD1-CD1 3.41Å; L58-I74 VanDerWaalsContact CD1-CD1 3.41Å; L58-I74 HydrophobicContact CD1-CG1 3.97Å; L58-I74 HydrophobicContact CD1-CG2 3.93Å; L58-I74 HydrophobicContact CD2-CD1 3.71Å; L58-I74 HydrophobicContact CD2-CG1 4.37Å; L58-I74 HydrophobicContact CG-CD1 4.22Å
59H84.8Confident80.2Confident114 Ų11460.2 Ų60.253%0.52832%0.315SS..Hα-helixtrans-62-47.5174.3179.6-88.1000111.4G55 S56 V57 K62 V63G55-H59 WeakPolarHBondContact O-CB 3.36Å; G55-H59 PolarHBondContact O-N 3.37Å; S56-H59 PolarHBondContact O-N 3.04Å; V57-H59 VanDerWaalsContact C-N 3.3Å; V57-H59 PolarHBondContact O-N 3.17Å; H59-K62 PolarHBondContact O-N 3.02Å; H59-V63 WeakPolarHBondContact O-CG2 3.35Å; H59-V63 PolarHBondContact O-N 2.74Å
60A83.8Confident81.3Confident0 Ų066.5 Ų66.50%033%0.329CS..Hα-helixtrans-61.7-45.1178.400000112.2L6 L9 C10 S56 V57 K62 V63 C64L6-A60 HydrophobicContact CG-CB 4.5Å; L9-A60 HydrophobicContact CB-CB 3.5Å; L9-A60 VanDerWaalsContact CB-CB 3.5Å; C10-A60 HydrophobicContact CB-CB 4.33Å; S56-A60 PolarHBondContact O-N 3.17Å; V57-A60 PolarHBondContact O-N 3.45Å; A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3.31Å; A60-V63 PolarHBondContact O-N 2.95Å; A60-C64 WeakPolarHBondContact O-CB 3.41Å; A60-C64 PolarHBondContact O-N 2.9Å; A60-C64 PolarHBondContact O-SG 3.36Å; A60-C64 VanDerWaalsContact O-SG 3.38Å
61L83.3Confident82.1Confident3 Ų365.8 Ų65.82%0.01633%0.326CS..Hα-helixtrans-60-38.3175.5-74.3173.9000112.5L14 V57 N65 K66 I67 F76L14-L61 HydrophobicContact CD2-CD2 4.26Å; L14-L61 HydrophobicContact CG-CD2 4.37Å; V57-L61 HydrophobicContact CG1-CD1 4.17Å; V57-L61 WeakPolarHBondContact O-CG 3.19Å; V57-L61 PolarHBondContact O-N 3.19Å; L61-N65 PolarHBondContact O-N 2.93Å; L61-K66 HydrophobicContact CB-CB 4.36Å; L61-K66 HydrophobicContact CD2-CB 3.76Å; L61-K66 HydrophobicContact CD2-CG 4.34Å; L61-K66 WeakPolarHBondContact O-CA 3.32Å; L61-K66 WeakPolarHBondContact O-CB 3.48Å; L61-K66 PolarHBondContact O-N 2.91Å; L61-I67 HydrophobicContact CB-CD1 3.78Å; L61-I67 HydrophobicContact CB-CG1 3.85Å; L61-I67 HydrophobicContact CB-CG2 4.02Å; L61-I67 HydrophobicContact CD1-CG2 4.15Å; L61-I67 PolarHBondContact O-N 3Å; L61-F76 HydrophobicContact CD1-CE1 3.86Å; L61-F76 HydrophobicContact CD1-CZ 4.3Å
62K85.3Confident82.7Confident120 Ų12068.4 Ų68.452%0.52234%0.34SS..Hα-helixtrans-67.1-48.1177.1-171.7-174.5177.7-169.20111.1L58 H59 A60 C64 N65 I67L58-K62 WeakPolarHBondContact O-CB 3.43Å; L58-K62 PolarHBondContact O-N 3.33Å; H59-K62 PolarHBondContact O-N 3.02Å; A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3.31Å; K62-C64 VanDerWaalsContact C-N 3.25Å; K62-C64 PolarHBondContact O-N 2.91Å; K62-N65 PolarHBondContact O-N 3.26Å; K62-N65 VanDerWaalsContact O-N 3.08Å; K62-I67 HydrophobicContact CB-CD1 4.21Å; K62-I67 HydrophobicContact CB-CG1 4.09Å
63V83.1Confident82.8Confident78 Ų7871.2 Ų71.247%0.47336%0.355SS..Hα-helixtrans-62.9-34.4-180173.60000111.4L6 H59 A60 N65L6-V63 HydrophobicContact CD1-CG1 4.26Å; L6-V63 HydrophobicContact CD2-CB 4.46Å; L6-V63 HydrophobicContact CD2-CG1 3.9Å; H59-V63 WeakPolarHBondContact O-CG2 3.35Å; H59-V63 PolarHBondContact O-N 2.74Å; A60-V63 PolarHBondContact O-N 2.95Å; V63-N65 VanDerWaalsContact C-N 3.25Å; V63-N65 PolarHBondContact O-N 3.45Å
64C76.4Confident82.8Confident41 Ų4167.5 Ų67.528%0.27734%0.335SS..THydrogen-bonded Turntrans-83.712.1176.2-64.60000114.4C10 A60 K62 K66C10-C64 HydrophobicContact CB-CB 4.47Å; C10-C64 WeakPolarHBondContact SG-CB 3.23Å; A60-C64 WeakPolarHBondContact O-CB 3.41Å; A60-C64 PolarHBondContact O-N 2.9Å; A60-C64 PolarHBondContact O-SG 3.36Å; A60-C64 VanDerWaalsContact O-SG 3.38Å; K62-C64 VanDerWaalsContact C-N 3.25Å; K62-C64 PolarHBondContact O-N 2.91Å; C64-K66 HydrophobicContact CB-CG 3.87Å; C64-K66 WeakPolarHBondContact O-CD 3.48Å; C64-K66 WeakPolarHBondContact O-CG 3.47Å; C64-K66 PolarHBondContact O-N 3.23Å; C64-K66 VanDerWaalsContact O-N 3.17Å
65N79.1Confident82.6Confident130 Ų13074.1 Ų74.170%0.69536%0.359SS*.THydrogen-bonded Turntrans54.731.1-178.9-67.1-33.4000114.2L61 K62 V63 T77L61-N65 PolarHBondContact O-N 2.93Å; K62-N65 PolarHBondContact O-N 3.26Å; K62-N65 VanDerWaalsContact O-N 3.08Å; V63-N65 VanDerWaalsContact C-N 3.25Å; V63-N65 PolarHBondContact O-N 3.45Å; N65-T77 WeakPolarHBondContact O-CG2 3.31Å; N65-T77 PolarHBondContact O-OG1 2.95Å
66K77.9Confident82.6Confident66 Ų6673 Ų7329%0.28734%0.344SS..SBendtrans-92.7-19.3-179.2-60.9-46-174.5172.90112.6L14 L61 C64 T77 V80L14-K66 HydrophobicContact CD2-CG 4.42Å; L61-K66 HydrophobicContact CB-CB 4.36Å; L61-K66 HydrophobicContact CD2-CB 3.76Å; L61-K66 HydrophobicContact CD2-CG 4.34Å; L61-K66 WeakPolarHBondContact O-CA 3.32Å; L61-K66 WeakPolarHBondContact O-CB 3.48Å; L61-K66 PolarHBondContact O-N 2.91Å; C64-K66 HydrophobicContact CB-CG 3.87Å; C64-K66 WeakPolarHBondContact O-CD 3.48Å; C64-K66 WeakPolarHBondContact O-CG 3.47Å; C64-K66 PolarHBondContact O-N 3.23Å; C64-K66 VanDerWaalsContact O-N 3.17Å; K66-T77 PolarHBondContact O-N 3.01Å; K66-T77 PolarHBondContact O-OG1 3.26Å; K66-V80 HydrophobicContact CB-CG2 3.57Å; K66-V80 HydrophobicContact CD-CG2 3.54Å; K66-V80 HydrophobicContact CG-CG2 4Å; K66-V80 VanDerWaalsContact O-CG2 3.31Å; K66-V80 WeakPolarHBondContact O-CG2 3.43Å
67I84.6Confident82.3Confident8 Ų872 Ų724%0.04134%0.336CS..EExtended strand (participates in β ladder)trans-134.4154.6174.962.5174.9000111.4L58 L61 K62 I74 R75 F76L58-I67 HydrophobicContact CD1-CD1 3.3Å; L58-I67 HydrophobicContact CG-CD1 3.8Å; L58-I67 WeakPolarHBondContact O-CD1 3.48Å; L61-I67 HydrophobicContact CB-CD1 3.78Å; L61-I67 HydrophobicContact CB-CG1 3.85Å; L61-I67 HydrophobicContact CB-CG2 4.02Å; L61-I67 HydrophobicContact CD1-CG2 4.15Å; L61-I67 PolarHBondContact O-N 3Å; K62-I67 HydrophobicContact CB-CD1 4.21Å; K62-I67 HydrophobicContact CB-CG1 4.09Å; I67-I74 HydrophobicContact CB-CG2 4.2Å; I67-I74 HydrophobicContact CD1-CG2 4.08Å; I67-I74 HydrophobicContact CG2-CG2 4.19Å; I67-R75 CarbonylContact C-O 3.46Å; I67-R75 WeakPolarHBondContact CA-O 3.43Å; I67-F76 HydrophobicContact CG2-CD1 3.41Å; I67-F76 VanDerWaalsContact CG2-CD1 3.41Å; I67-F76 HydrophobicContact CG2-CD2 4.42Å; I67-F76 HydrophobicContact CG2-CE1 3.55Å; I67-F76 HydrophobicContact CG2-CG 3.9Å; I67-F76 HydrophobicContact CG2-CZ 4.13Å
68T82.2Confident81.3Confident77 Ų7776.7 Ų76.747%0.47237%0.366SS..EExtended strand (participates in β ladder)trans-111.5138.4164.454.10000108.6R75 T77T68-R75 PolarHBondContact N-O 3.45Å; T68-R75 PolarHBondContact O-N 3.08Å; T68-R75 PolarHBondContact OG1-O 3.42Å; T68-T77 HydrophobicContact CG2-CG2 4.04Å
69R81.2Confident79.9Confident110 Ų11079 Ų7942%0.41539%0.388SS..EExtended strand (participates in β ladder)trans-121.3123.4179.9-178.5179.4169.1-162.7-7.9109.5R31 K71 I74R31-R69 VanDerWaalsContact NH1-NH2 3.1Å; R69-K71 PolarHBondContact NE-O 3.44Å; R69-I74 HydrophobicContact CG-CG1 4.49Å
70R79.5Confident78.8Confident214 Ų21473.7 Ų73.781%0.80836%0.363SS*.EExtended strand (participates in β ladder)trans-126111.4170.3-73.4-169.7177.4-167.80.3108.7D72 N73R70-D72 PolarHBondContact O-N 2.98Å; R70-N73 PolarHBondContact N-O 3.42Å; R70-N73 PolarHBondContact O-N 3.5Å
71K78.8Confident77.5Confident187 Ų18778.9 Ų78.981%0.81338%0.382SS*.THydrogen-bonded Turntrans51.9-119.3-172.5-61.4-176176.6-177.50111.4R69R69-K71 PolarHBondContact NE-O 3.44Å
72D82.4Confident75.7Confident87 Ų8785.9 Ų85.947%0.46541%0.413SS..THydrogen-bonded Turntrans-94.86178-64.8-48.7000113.8R31 R70R31-D72 WeakPolarHBondContact CB-O 3.16Å; R31-D72 PolarHBondContact N-O 3.12Å; R70-D72 PolarHBondContact O-N 2.98Å
73N82.1Confident73.8Confident74 Ų7484.1 Ų84.140%0.39641%0.405SS..EExtended strand (participates in β ladder)trans-98.3126.4172.2-79.4-53.4000112T29 R70T29-N73 CarbonylContact O-C 3.18Å; T29-N73 VanDerWaalsContact O-CA 3.29Å; T29-N73 WeakPolarHBondContact O-CA 3.29Å; T29-N73 PolarHBondContact O-OD1 3.2Å; T29-N73 PolarHBondContact OG1-OD1 3.02Å; R70-N73 PolarHBondContact N-O 3.42Å; R70-N73 PolarHBondContact O-N 3.5Å
74I86.5Confident71.9Confident2 Ų280.6 Ų80.61%0.0138%0.384CS..EExtended strand (participates in β ladder)trans-108.9126173.7-63.2156.5000108T29 R31 L34 F54 L58 I67 R69T29-I74 WeakPolarHBondContact CA-O 3.33Å; T29-I74 WeakPolarHBondContact CB-O 3.12Å; T29-I74 PolarHBondContact O-N 3.4Å; R31-I74 HydrophobicContact CB-CD1 3.68Å; R31-I74 HydrophobicContact CB-CG1 4.33Å; R31-I74 HydrophobicContact CG-CD1 3.69Å; L34-I74 HydrophobicContact CD1-CB 4.06Å; L34-I74 HydrophobicContact CD1-CD1 4.22Å; L34-I74 HydrophobicContact CD1-CG2 4.49Å; F54-I74 HydrophobicContact CZ-CD1 4.42Å; L58-I74 HydrophobicContact CD1-CD1 3.41Å; L58-I74 VanDerWaalsContact CD1-CD1 3.41Å; L58-I74 HydrophobicContact CD1-CG1 3.97Å; L58-I74 HydrophobicContact CD1-CG2 3.93Å; L58-I74 HydrophobicContact CD2-CD1 3.71Å; L58-I74 HydrophobicContact CD2-CG1 4.37Å; L58-I74 HydrophobicContact CG-CD1 4.22Å; I67-I74 HydrophobicContact CB-CG2 4.2Å; I67-I74 HydrophobicContact CD1-CG2 4.08Å; I67-I74 HydrophobicContact CG2-CG2 4.19Å; R69-I74 HydrophobicContact CG-CG1 4.49Å
75R83.3Confident70.1Confident152 Ų15282.2 Ų82.257%0.57440%0.395SS*.EExtended strand (participates in β ladder)trans-124.4122.7174.5-72.3-175.6178.9-177.8-0.3110.3T29 I67 T68T29-R75 HydrophobicContact CG2-CG 3.82Å; I67-R75 CarbonylContact C-O 3.46Å; I67-R75 WeakPolarHBondContact CA-O 3.43Å; T68-R75 PolarHBondContact N-O 3.45Å; T68-R75 PolarHBondContact O-N 3.08Å; T68-R75 PolarHBondContact OG1-O 3.42Å
76F82.3Confident68.2Low16 Ų1678.5 Ų78.57%0.0737%0.371CS..EExtended strand (participates in β ladder)trans-62.5137.3169.9-68.9-92.3000110.5F17 L61 I67 V80 R81F17-F76 HydrophobicContact CB-CD1 4Å; F17-F76 HydrophobicContact CB-CE1 3.55Å; F17-F76 HydrophobicContact CB-CE2 4.41Å; F17-F76 HydrophobicContact CB-CZ 3.78Å; F17-F76 HydrophobicContact CD1-CD1 4.31Å; F17-F76 HydrophobicContact CD1-CG 4.47Å; F17-F76 HydrophobicContact CD2-CB 4.09Å; F17-F76 AromaticContact CD2-CD1 3.59Å; F17-F76 HydrophobicContact CD2-CD1 3.59Å; F17-F76 AromaticContact CD2-CD2 3.16Å; F17-F76 HydrophobicContact CD2-CD2 3.16Å; F17-F76 AromaticContact CD2-CE1 3.7Å; F17-F76 HydrophobicContact CD2-CE1 3.7Å; F17-F76 AromaticContact CD2-CE2 3.31Å; F17-F76 HydrophobicContact CD2-CE2 3.31Å; F17-F76 AromaticContact CD2-CG 3.31Å; F17-F76 HydrophobicContact CD2-CG 3.31Å; F17-F76 AromaticContact CD2-CZ 3.56Å; F17-F76 HydrophobicContact CD2-CZ 3.56Å; F17-F76 HydrophobicContact CE2-CB 3.77Å; F17-F76 HydrophobicContact CE2-CD1 4.17Å; F17-F76 AromaticContact CE2-CD2 3.35Å; F17-F76 HydrophobicContact CE2-CD2 3.35Å; F17-F76 AromaticContact CE2-CE2 3.94Å; F17-F76 HydrophobicContact CE2-CE2 3.94Å; F17-F76 AromaticContact CE2-CG 3.48Å; F17-F76 HydrophobicContact CE2-CG 3.48Å; F17-F76 VanDerWaalsContact CE2-CG 3.48Å; F17-F76 AromaticContact CG-CD1 3.67Å; F17-F76 HydrophobicContact CG-CD1 3.67Å; F17-F76 HydrophobicContact CG-CD2 4.11Å; F17-F76 AromaticContact CG-CE1 3.72Å; F17-F76 HydrophobicContact CG-CE1 3.72Å; F17-F76 HydrophobicContact CG-CE2 4.17Å; F17-F76 AromaticContact CG-CG 3.86Å; F17-F76 HydrophobicContact CG-CG 3.86Å; F17-F76 AromaticContact CG-CZ 3.97Å; F17-F76 HydrophobicContact CG-CZ 3.97Å; F17-F76 HydrophobicContact CZ-CB 4.06Å; F17-F76 HydrophobicContact CZ-CD2 4.42Å; F17-F76 HydrophobicContact CZ-CG 4.18Å; L61-F76 HydrophobicContact CD1-CE1 3.86Å; L61-F76 HydrophobicContact CD1-CZ 4.3Å; I67-F76 HydrophobicContact CG2-CD1 3.41Å; I67-F76 VanDerWaalsContact CG2-CD1 3.41Å; I67-F76 HydrophobicContact CG2-CD2 4.42Å; I67-F76 HydrophobicContact CG2-CE1 3.55Å; I67-F76 HydrophobicContact CG2-CG 3.9Å; I67-F76 HydrophobicContact CG2-CZ 4.13Å; F76-V80 HydrophobicContact CB-CB 4.38Å; F76-V80 HydrophobicContact CB-CG1 4.32Å; F76-V80 HydrophobicContact CD1-CG1 3.87Å; F76-R81 HydrophobicContact CB-CG 4.34Å
77T78.9Confident66.2Low21 Ų2178.9 Ų78.913%0.12937%0.374CS..  trans-66.1154.1-177.754.10000110.6N65 K66 T68 A79 V80 R81N65-T77 WeakPolarHBondContact O-CG2 3.31Å; N65-T77 PolarHBondContact O-OG1 2.95Å; K66-T77 PolarHBondContact O-N 3.01Å; K66-T77 PolarHBondContact O-OG1 3.26Å; T68-T77 HydrophobicContact CG2-CG2 4.04Å; T77-A79 PolarHBondContact O-N 3.05Å; T77-A79 VanDerWaalsContact O-N 3.11Å; T77-V80 PolarHBondContact O-N 3.04Å; T77-R81 PolarHBondContact O-N 3.48Å
78P65.2Low63.8Low98 Ų9880.1 Ų80.164%0.63638%0.382SS*.Hα-helixtrans-53.9-32.2176.4-26.534.7000112.9V80 R81 K82P78-V80 PolarHBondContact O-N 3.39Å; P78-R81 PolarHBondContact O-N 3.02Å; P78-K82 WeakPolarHBondContact O-CB 3.5Å; P78-K82 VanDerWaalsContact O-CG 3.32Å; P78-K82 WeakPolarHBondContact O-CG 2.88Å; P78-K82 PolarHBondContact O-N 2.94Å
79A56.8Low61.5Low62 Ų6279.4 Ų79.451%0.51238%0.379SS..Hα-helixtrans-63.8-36.217500000113.2T77 F83T77-A79 PolarHBondContact O-N 3.05Å; T77-A79 VanDerWaalsContact O-N 3.11Å; A79-F83 WeakPolarHBondContact O-CB 3.29Å; A79-F83 PolarHBondContact O-N 3.38Å
80V61.6Low59.2Low1 Ų175.2 Ų75.21%0.00637%0.365CS..Hα-helixtrans-76.6-40.8176176.10000111.6L14 F17 K66 F76 T77 P78 K82 F83 V84L14-V80 HydrophobicContact CD2-CG1 3.71Å; L14-V80 HydrophobicContact CD2-CG2 4.1Å; F17-V80 HydrophobicContact CD1-CG1 3.57Å; F17-V80 HydrophobicContact CE1-CG1 3.93Å; F17-V80 HydrophobicContact CG-CG1 4.22Å; K66-V80 HydrophobicContact CB-CG2 3.57Å; K66-V80 HydrophobicContact CD-CG2 3.54Å; K66-V80 HydrophobicContact CG-CG2 4Å; K66-V80 VanDerWaalsContact O-CG2 3.31Å; K66-V80 WeakPolarHBondContact O-CG2 3.43Å; F76-V80 HydrophobicContact CB-CB 4.38Å; F76-V80 HydrophobicContact CB-CG1 4.32Å; F76-V80 HydrophobicContact CD1-CG1 3.87Å; T77-V80 PolarHBondContact O-N 3.04Å; P78-V80 PolarHBondContact O-N 3.39Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.37Å; V80-F83 PolarHBondContact O-N 2.9Å; V80-V84 HydrophobicContact CG1-CG2 4.38Å; V80-V84 PolarHBondContact O-N 3.43Å
81R56.6Low57Low109 Ų10969.2 Ų69.241%0.41134%0.343SS..Hα-helixtrans-59.3-43174.1-66.9-176171.9-168.5-7.5111F17 F76 T77 P78 C85F17-R81 HydrophobicContact CE1-CG 4.29Å; F17-R81 HydrophobicContact CZ-CG 3.82Å; F76-R81 HydrophobicContact CB-CG 4.34Å; T77-R81 PolarHBondContact O-N 3.48Å; P78-R81 PolarHBondContact O-N 3.02Å; R81-C85 VanDerWaalsContact O-CB 3.28Å; R81-C85 WeakPolarHBondContact O-CB 3.19Å; R81-C85 PolarHBondContact O-N 3.08Å
82K44.8Very low54.8Low151 Ų15161.8 Ų61.866%0.65731%0.312SS*.Hα-helixtrans-67.7-42.2172.8-74.6-174.8175.7-164.10112.7P78 V80 V84 W86P78-K82 WeakPolarHBondContact O-CB 3.5Å; P78-K82 VanDerWaalsContact O-CG 3.32Å; P78-K82 WeakPolarHBondContact O-CG 2.88Å; P78-K82 PolarHBondContact O-N 2.94Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.37Å; K82-V84 PolarHBondContact O-N 2.97Å; K82-W86 WeakPolarHBondContact O-CB 3.38Å; K82-W86 PolarHBondContact O-N 3Å
83F46.3Very low52.5Low83 Ų8362.8 Ų62.836%0.36431%0.314SS..Hα-helixtrans-63.4-38.2178.3-177.3-95.1000112.9L14 A79 V80 W86 H87L14-F83 HydrophobicContact CD1-CE1 4.47Å; A79-F83 WeakPolarHBondContact O-CB 3.29Å; A79-F83 PolarHBondContact O-N 3.38Å; V80-F83 PolarHBondContact O-N 2.9Å; F83-W86 HydrophobicContact CE2-CZ3 4.38Å; F83-H87 AromaticContact CE1-CD2 3.77Å; F83-H87 AromaticContact CZ-CD2 3.78Å; F83-H87 WeakPolarHBondContact O-CB 3.46Å; F83-H87 PolarHBondContact O-N 3.09Å
84V43.6Very low50.2Low4 Ų462.6 Ų62.62%0.02431%0.308CS..Hα-helixtrans-83.9-38.5178.5175.80000112.4F17 E18 N21 V80 K82 W86 H87 V88F17-V84 HydrophobicContact CD1-CB 3.95Å; F17-V84 HydrophobicContact CD1-CG1 4.18Å; F17-V84 HydrophobicContact CD1-CG2 3.7Å; F17-V84 HydrophobicContact CE1-CB 3.97Å; F17-V84 HydrophobicContact CE1-CG1 4.3Å; F17-V84 HydrophobicContact CE1-CG2 4.19Å; E18-V84 HydrophobicContact CB-CG1 4.14Å; E18-V84 HydrophobicContact CG-CG1 4.19Å; N21-V84 HydrophobicContact CB-CG1 4.4Å; V80-V84 HydrophobicContact CG1-CG2 4.38Å; V80-V84 PolarHBondContact O-N 3.43Å; K82-V84 PolarHBondContact O-N 2.97Å; V84-W86 PolarHBondContact O-N 3.07Å; V84-H87 PolarHBondContact O-N 3.1Å; V84-V88 HydrophobicContact CG1-CG2 4.34Å; V84-V88 WeakPolarHBondContact O-CB 3.31Å; V84-V88 VanDerWaalsContact O-CG2 3.24Å; V84-V88 WeakPolarHBondContact O-CG2 3.38Å; V84-V88 PolarHBondContact O-N 3.38Å
85C39.2Very low47.7Very low74 Ų7463.5 Ų63.550%0.531%0.313SS..Hα-helixtrans-57.3-34.7166-103.80000111.6R81 C89R81-C85 VanDerWaalsContact O-CB 3.28Å; R81-C85 WeakPolarHBondContact O-CB 3.19Å; R81-C85 PolarHBondContact O-N 3.08Å; C85-C89 VanDerWaalsContact O-CB 3.25Å; C85-C89 WeakPolarHBondContact O-CB 3.43Å; C85-C89 PolarHBondContact O-N 2.99Å; C85-C89 PolarHBondContact O-SG 3.45Å; C85-C89 VanDerWaalsContact O-SG 3.41Å
86W37.8Very low45.2Very low53 Ų5357.4 Ų57.420%0.20129%0.292CS..Hα-helixtrans-73.8-40.6174.4176.376.6000112.9K82 F83 V84 V88 C89 V90 Y332K82-W86 WeakPolarHBondContact O-CB 3.38Å; K82-W86 PolarHBondContact O-N 3Å; F83-W86 HydrophobicContact CE2-CZ3 4.38Å; V84-W86 PolarHBondContact O-N 3.07Å; W86-V88 VanDerWaalsContact C-N 3.27Å; W86-V88 PolarHBondContact O-N 3.44Å; W86-C89 PolarHBondContact O-N 3.36Å; W86-V90 HydrophobicContact CD2-CG2 4.09Å; W86-V90 HydrophobicContact CG-CG2 4.13Å; W86-V90 HydrophobicContact CZ2-CG2 4.24Å; W86-V90 WeakPolarHBondContact O-CA 3.41Å; W86-V90 WeakPolarHBondContact O-CB 3.49Å; W86-V90 WeakPolarHBondContact O-CG2 3.43Å; W86-V90 PolarHBondContact O-N 2.91Å; W86-Y332 AromaticContact CD1-CD2 3.51Å; W86-Y332 AromaticContact CD1-CE2 3.02Å; W86-Y332 AromaticContact CD1-CZ 3.7Å; W86-Y332 HydrophobicContact CG-CE2 4.11Å; W86-Y332 AromaticContact NE1-CD2 2.98Å; W86-Y332 AromaticContact NE1-CE2 3Å; W86-Y332 AromaticContact NE1-CG 3.7Å; W86-Y332 AromaticContact NE1-CZ 3.69Å
87H36.1Very low43.1Very low74 Ų7459 Ų5934%0.34330%0.299SS..Hα-helixtrans-65.4-33.6174.6-120.4-77.9000112.1F83 V84 R91F83-H87 AromaticContact CE1-CD2 3.77Å; F83-H87 AromaticContact CZ-CD2 3.78Å; F83-H87 WeakPolarHBondContact O-CB 3.46Å; F83-H87 PolarHBondContact O-N 3.09Å; V84-H87 PolarHBondContact O-N 3.1Å; H87-R91 WeakPolarHBondContact O-CB 3.44Å; H87-R91 VanDerWaalsContact O-CG 3.3Å; H87-R91 WeakPolarHBondContact O-CG 3.26Å; H87-R91 PolarHBondContact O-N 3.43Å
88V35.1Very low41Very low34 Ų3463.3 Ų63.321%0.20631%0.313CS..Hα-helixtrans-73.4-49172.6173.80000110.5V84 W86 V90 R91 D92V84-V88 HydrophobicContact CG1-CG2 4.34Å; V84-V88 WeakPolarHBondContact O-CB 3.31Å; V84-V88 VanDerWaalsContact O-CG2 3.24Å; V84-V88 WeakPolarHBondContact O-CG2 3.38Å; V84-V88 PolarHBondContact O-N 3.38Å; W86-V88 VanDerWaalsContact C-N 3.27Å; W86-V88 PolarHBondContact O-N 3.44Å; V88-V90 PolarHBondContact O-N 3.17Å; V88-R91 CarbonylContact O-C 3.58Å; V88-R91 WeakPolarHBondContact O-CA 3.44Å; V88-R91 WeakPolarHBondContact O-CB 3.36Å; V88-R91 PolarHBondContact O-N 2.65Å; V88-D92 WeakPolarHBondContact CG1-OD2 3.18Å; V88-D92 WeakPolarHBondContact O-CB 3.37Å; V88-D92 PolarHBondContact O-N 2.92Å
89C33.2Very low39.1Very low62 Ų6264.5 Ų64.542%0.41931%0.31SS..Hα-helixtrans-66.3-33.4175.5-79.80000114.2C85 W86 D92 Q93C85-C89 VanDerWaalsContact O-CB 3.25Å; C85-C89 WeakPolarHBondContact O-CB 3.43Å; C85-C89 PolarHBondContact O-N 2.99Å; C85-C89 PolarHBondContact O-SG 3.45Å; C85-C89 VanDerWaalsContact O-SG 3.41Å; W86-C89 PolarHBondContact O-N 3.36Å; C89-D92 CarbonylContact O-C 3.6Å; C89-D92 PolarHBondContact O-N 3.36Å; C89-Q93 WeakPolarHBondContact O-CB 3.3Å; C89-Q93 WeakPolarHBondContact O-CG 3.42Å; C89-Q93 PolarHBondContact O-N 2.96Å
90V32.3Very low37.8Very low21 Ų2168.1 Ų68.113%0.12733%0.326CS..Hα-helixtrans-80.9-25.3175.11740000110.9W86 V88 Y94W86-V90 HydrophobicContact CD2-CG2 4.09Å; W86-V90 HydrophobicContact CG-CG2 4.13Å; W86-V90 HydrophobicContact CZ2-CG2 4.24Å; W86-V90 WeakPolarHBondContact O-CA 3.41Å; W86-V90 WeakPolarHBondContact O-CB 3.49Å; W86-V90 WeakPolarHBondContact O-CG2 3.43Å; W86-V90 PolarHBondContact O-N 2.91Å; V88-V90 PolarHBondContact O-N 3.17Å; V90-Y94 HydrophobicContact CG1-CD2 3.83Å; V90-Y94 HydrophobicContact CG1-CE2 4.07Å; V90-Y94 WeakPolarHBondContact O-CD2 3.26Å; V90-Y94 PolarHBondContact O-N 3.17Å
91R34.3Very low36.2Very low89 Ų8973.3 Ų73.334%0.33636%0.359SS..Hα-helixtrans-60.9-67.7156.2-88.9173.8154.9168.6-14107E18 H87 V88 Q93 Y94 L95E18-R91 IonicContact OE1-CZ 3.6Å; E18-R91 IonicContact OE1-NH1 3.65Å; E18-R91 PolarHBondContact OE1-NH1 3.33Å; E18-R91 IonicContact OE2-NH1 3.15Å; H87-R91 WeakPolarHBondContact O-CB 3.44Å; H87-R91 VanDerWaalsContact O-CG 3.3Å; H87-R91 WeakPolarHBondContact O-CG 3.26Å; H87-R91 PolarHBondContact O-N 3.43Å; V88-R91 CarbonylContact O-C 3.58Å; V88-R91 WeakPolarHBondContact O-CA 3.44Å; V88-R91 WeakPolarHBondContact O-CB 3.36Å; V88-R91 PolarHBondContact O-N 2.65Å; R91-Q93 PolarHBondContact O-N 3.01Å; R91-Y94 CarbonylContact O-C 3.53Å; R91-Y94 PolarHBondContact O-N 3.37Å; R91-L95 HydrophobicContact CB-CB 4.39Å; R91-L95 HydrophobicContact CB-CD1 3.91Å; R91-L95 HydrophobicContact CG-CD1 3.85Å; R91-L95 VanDerWaalsContact O-CA 3.24Å; R91-L95 WeakPolarHBondContact O-CA 3.32Å; R91-L95 WeakPolarHBondContact O-CB 3.42Å; R91-L95 PolarHBondContact O-N 2.88Å
92D32.2Very low34.9Very low31 Ų3176.8 Ų76.817%0.16637%0.373CS..Hα-helixtrans-55.3-18.7-177.1-58.1-26.1000117.1V88 C89 L95V88-D92 WeakPolarHBondContact CG1-OD2 3.18Å; V88-D92 WeakPolarHBondContact O-CB 3.37Å; V88-D92 PolarHBondContact O-N 2.92Å; C89-D92 CarbonylContact O-C 3.6Å; C89-D92 PolarHBondContact O-N 3.36Å; D92-L95 CarbonylContact C-O 3.57Å; D92-L95 WeakPolarHBondContact CA-O 3.17Å
93Q34.6Very low34Very low108 Ų10877.6 Ų77.651%0.50538%0.378SS..Hα-helixtrans-94.2-21.8176-75.5171.55.900114.2C89 R91C89-Q93 WeakPolarHBondContact O-CB 3.3Å; C89-Q93 WeakPolarHBondContact O-CG 3.42Å; C89-Q93 PolarHBondContact O-N 2.96Å; R91-Q93 PolarHBondContact O-N 3.01Å
94Y34Very low33Very low70 Ų7079.3 Ų79.328%0.27540%0.396SS..Hα-helixtrans-102.3-37.4170.6-75.1-92.4000110.7V90 R91 F379V90-Y94 HydrophobicContact CG1-CD2 3.83Å; V90-Y94 HydrophobicContact CG1-CE2 4.07Å; V90-Y94 WeakPolarHBondContact O-CD2 3.26Å; V90-Y94 PolarHBondContact O-N 3.17Å; R91-Y94 CarbonylContact O-C 3.53Å; R91-Y94 PolarHBondContact O-N 3.37Å; Y94-F379 HydrophobicContact CD1-CD2 4.44Å; Y94-F379 WeakPolarHBondContact O-CD1 3.29Å; Y94-F379 WeakPolarHBondContact O-CE1 3.19Å; Y94-F379 WeakPolarHBondContact O-CZ 3.45Å
95L32.8Very low32.1Very low20 Ų2085.1 Ų85.111%0.10543%0.434CS..SBendtrans-81.4125.3172.7-146.6146000108.5R91 D92 Q97 L282 F379R91-L95 HydrophobicContact CB-CB 4.39Å; R91-L95 HydrophobicContact CB-CD1 3.91Å; R91-L95 HydrophobicContact CG-CD1 3.85Å; R91-L95 VanDerWaalsContact O-CA 3.24Å; R91-L95 WeakPolarHBondContact O-CA 3.32Å; R91-L95 WeakPolarHBondContact O-CB 3.42Å; R91-L95 PolarHBondContact O-N 2.88Å; D92-L95 CarbonylContact C-O 3.57Å; D92-L95 WeakPolarHBondContact CA-O 3.17Å; L95-Q97 PolarHBondContact O-N 3.33Å; L95-Q97 VanDerWaalsContact O-N 3.15Å; L95-L282 HydrophobicContact CB-CD1 3.98Å; L95-L282 HydrophobicContact CD1-CB 3.95Å; L95-L282 HydrophobicContact CD1-CD1 3.27Å; L95-L282 HydrophobicContact CD1-CG 3.83Å; L95-L282 HydrophobicContact CG-CB 4.3Å; L95-L282 HydrophobicContact CG-CD1 3.44Å; L95-L282 VanDerWaalsContact CG-CD1 3.44Å; L95-L282 HydrophobicContact CG-CG 3.74Å; L95-F379 HydrophobicContact CB-CZ 4.46Å
96D32.7Very low31.4Very low25 Ų2593 Ų9313%0.13445%0.453CS..  trans-36.2115.5166-84.93.4000112.4W98 R383 Q1011D96-W98 PolarHBondContact O-N 3.22Å; D96-R383 IonicContact OD1-CZ 3.22Å; D96-R383 IonicContact OD1-NH1 2.69Å; D96-R383 PolarHBondContact OD1-NH1 3.12Å; D96-R383 IonicContact OD1-NH2 3.9Å; D96-R383 PolarHBondContact OD1-NH2 2.91Å; D96-R383 IonicContact OD2-CZ 3.56Å; D96-R383 IonicContact OD2-NH1 3.75Å; D96-R383 PolarHBondContact OD2-NH1 3.2Å; D96-R383 IonicContact OD2-NH2 2.61Å; D96-Q1011 PolarHBondContact OD2-NE2 2.86Å
97Q37.3Very low30.8Very low49 Ų4996.9 Ų96.923%0.22948%0.483CS..SBend41.11.4119.2-90.8132.15300125.2L95 E1006 S1007L95-Q97 PolarHBondContact O-N 3.33Å; L95-Q97 VanDerWaalsContact O-N 3.15Å; Q97-E1006 HydrophobicContact CG-CB 3.63Å; Q97-S1007 VanDerWaalsContact NE2-N 3.2Å; Q97-S1007 PolarHBondContact NE2-O 3.17Å; Q97-S1007 VanDerWaalsContact OE1-CA 3.24Å; Q97-S1007 PolarHBondContact OE1-O 2.92Å
98W34.5Very low30.3Very low111 Ų111102.4 Ų102.442%0.4251%0.508SS..  trans-124.919.9-161.2-66.875000112.7D96 Y277 P279D96-W98 PolarHBondContact O-N 3.22Å; W98-Y277 HydrophobicContact CH2-CE1 4.04Å; W98-P279 HydrophobicContact CD2-CB 4.14Å; W98-P279 HydrophobicContact CD2-CG 3.79Å; W98-P279 HydrophobicContact CE3-CB 4.21Å; W98-P279 HydrophobicContact CE3-CG 3.38Å; W98-P279 HydrophobicContact CH2-CG 4Å; W98-P279 HydrophobicContact CZ2-CG 4.38Å; W98-P279 HydrophobicContact CZ3-CG 3.5Å; W98-P279 VanDerWaalsContact CZ3-CG 3.5Å
99H25.8Very low29.9Very low124 Ų124110.1 Ų110.157%0.57454%0.542SS*.  trans-112.5101.1159.6-70.2-54.9000109.4P101H99-P101 WeakPolarHBondContact O-CD 3.3Å
100T29.8Very low29.5Very low138 Ų138112 Ų11285%0.84756%0.562SS**PPolyproline II helixtrans-53.3125.1161.735.50000110.1
101P27.6Very low29.1Very low109 Ų109120 Ų12071%0.70860%0.598SS**PPolyproline II helixtrans-96.3131.1157.32.719000109.5H99H99-P101 WeakPolarHBondContact O-CD 3.3Å
102R29Very low28.9Very low182 Ų182120.8 Ų120.869%0.68762%0.615SS**PPolyproline II helixtrans-67.9135.2162.4-77.7161.5161.1174.28.7110.1E24E24-R102 WeakPolarHBondContact OE1-CB 3.47Å; E24-R102 WeakPolarHBondContact OE1-CD 3.35Å; E24-R102 WeakPolarHBondContact OE1-CG 3.34Å; E24-R102 WeakPolarHBondContact OE2-CD 3.37Å; E24-R102 IonicContact OE2-CZ 2.9Å; E24-R102 IonicContact OE2-NE 3.45Å; E24-R102 IonicContact OE2-NH1 3.51Å; E24-R102 PolarHBondContact OE2-NH1 2.89Å
103H27.1Very low28.5Very low168 Ų168126.8 Ų126.878%0.77865%0.647SS**  trans73151.6159.4-64.6-63000118.6
104T23.8Very low28.1Very low119 Ų119133 Ų13373%0.7367%0.666SS**  cis-167.31572.115.30000107.9
105P25.7Very low27.7Very low126 Ų126141.9 Ų141.982%0.81870%0.699SS**PPolyproline II helixtrans-81.3135176.16.78.2000112.9
106R23.2Very low27.3Very low241 Ų241145.8 Ų145.891%0.90973%0.734SS**PPolyproline II helixtrans-89.8125.1161.1-92.3-177.7169.2-178.1-4109.6
107T26.5Very low26.9Very low134 Ų134150 Ų15082%0.82277%0.765SS**PPolyproline II helixtrans-61.7125.2170.931.70000111.8
108H26Very low26.4Very low189 Ų189155.7 Ų155.788%0.87580%0.796SS**  trans-126.8119.3152.5-91.4-72.1000109.1
109Q26.5Very low25.9Very low197 Ų197159.3 Ų159.392%0.92182%0.818SS**  trans-64.5129.6177.2-69.3167.5-25.400110.3
110A23.2Very low26Very low101 Ų101158.9 Ų158.984%0.83583%0.826SS**  trans-125.1120.7155.400000108
111Q25.2Very low26Very low188 Ų188154.1 Ų154.188%0.87981%0.805SS**  trans-74.7161.1173.9-95.7-175.1-1100111.7
112P30.3Very low26.3Very low107 Ų107154.2 Ų154.270%0.69581%0.805SS**  trans-95.6149.9-153.136.7-32.4000112.7
113N23.7Very low26.6Very low156 Ų156151.1 Ų151.183%0.83480%0.802SS**  trans-177.4102.6141.6-98.6-21.8000112.9
114R26Very low26.9Very low240 Ų240146.5 Ų146.591%0.90679%0.789SS**  160.3119.7103.8-96-177.1176.6-176.5-0.5109.3
115R25.3Very low27.4Very low256 Ų256150.9 Ų150.997%0.96679%0.792SS**  trans-65.1123.7177.5-74.3171.9169.5171.6-5.3110.7
116A23.4Very low27.8Very low102 Ų102146.1 Ų146.184%0.84376%0.761SS**  trans-125.7112.1142.200000105.9L118A116-L118 PolarHBondContact O-N 3.03Å
117S26Very low28.3Very low113 Ų113138.2 Ų138.279%0.7974%0.739SS**  trans-74.4114.2-17542.50000111.2
118L26.2Very low28.6Very low169 Ų169137 Ų13789%0.88572%0.722SS**  trans-132.5100.8149.7-84.8159000104.9A116A116-L118 PolarHBondContact O-N 3.03Å
119E24.3Very low29.1Very low186 Ų186131.5 Ų131.587%0.86970%0.699SS**PPolyproline II helixtrans-64.1127.8168.1-68.3-165.9159.500108.1G121E119-G121 PolarHBondContact O-N 3Å
120P28.1Very low29.5Very low115 Ų115127.1 Ų127.175%0.74768%0.675SS**PPolyproline II helixtrans-70.3118.7163.727.2-25.9000107.1
121G28.3Very low30.1Very low39 Ų39126.4 Ų126.440%0.40266%0.656SS.*PPolyproline II helixtrans-56.4165.7172.700000112.3E119 D123E119-G121 PolarHBondContact O-N 3Å; G121-D123 PolarHBondContact O-N 3.43Å
122P33.8Very low30.5Very low111 Ų111121.1 Ų121.172%0.72163%0.634SS**THydrogen-bonded Turntrans-57.7-14.3-178.722.3-31.1000114.2S124P122-S124 VanDerWaalsContact C-N 3.35Å; P122-S124 PolarHBondContact O-N 2.94Å
123D35.7Very low31.2Very low116 Ų116121.4 Ų121.462%0.6263%0.626SS**Hα-helixtrans-62.3-29.8-175-60.1-32.2000115.2G121 V127G121-D123 PolarHBondContact O-N 3.43Å; D123-V127 VanDerWaalsContact O-CG2 3.26Å; D123-V127 WeakPolarHBondContact O-CG2 3.25Å
124S32.7Very low32.1Very low71 Ų71118.2 Ų118.250%0.49761%0.609SS.*Hα-helixtrans-78.6-30-172.41780000114.1P122P122-S124 VanDerWaalsContact C-N 3.35Å; P122-S124 PolarHBondContact O-N 2.94Å
125R34.8Very low32.9Very low211 Ų211111.9 Ų111.980%0.79660%0.598SS**Hα-helixtrans-82.9-36.8-174.9-76.5-177.1177.2-1790.4112.8K128 L129R125-K128 PolarHBondContact O-N 3.07Å; R125-L129 PolarHBondContact O-N 3.25Å
126V34.7Very low33.9Very low27 Ų27108 Ų10816%0.16459%0.587CS.*Hα-helixtrans-74.6-36.8-177.7-173.80000111K128 L129 Y130 V983V126-K128 PolarHBondContact O-N 3.41Å; V126-L129 WeakPolarHBondContact O-CB 3.29Å; V126-L129 PolarHBondContact O-N 2.79Å; V126-Y130 PolarHBondContact O-N 3.02Å; V126-V983 HydrophobicContact CG1-CG1 4.28Å
127V33.3Very low35.3Very low75 Ų75107.3 Ų107.346%0.45556%0.564SS.*Hα-helixtrans-67.9-32.4174.5176.80000112.3D123 L129 Y130D123-V127 VanDerWaalsContact O-CG2 3.26Å; D123-V127 WeakPolarHBondContact O-CG2 3.25Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 2.86Å; V127-Y130 WeakPolarHBondContact O-CB 3.49Å; V127-Y130 PolarHBondContact O-N 3.07Å
128K32.8Very low36.8Very low108 Ų108104.3 Ų104.347%0.4754%0.539SS..Hα-helixtrans-67.5-29.1173.4-91.3-174.3166.9-163.90113.4R125 V126 Y130 L131 N132 E1003R125-K128 PolarHBondContact O-N 3.07Å; V126-K128 PolarHBondContact O-N 3.41Å; K128-Y130 VanDerWaalsContact C-N 3.33Å; K128-L131 PolarHBondContact O-N 2.84Å; K128-N132 PolarHBondContact O-N 3.3Å; K128-E1003 IonicContact NZ-OE1 3.6Å; K128-E1003 PolarHBondContact NZ-OE1 2.66Å
129L36.8Very low38.3Very low74 Ų7498.7 Ų98.739%0.38752%0.517SS..Hα-helixtrans-72.4-26.5176.5-78158.8000112.5R125 V126 V127 L131R125-L129 PolarHBondContact O-N 3.25Å; V126-L129 WeakPolarHBondContact O-CB 3.29Å; V126-L129 PolarHBondContact O-N 2.79Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 2.86Å; L129-L131 PolarHBondContact O-N 3.47Å
130Y34.5Very low40.2Very low104 Ų10494.2 Ų94.241%0.40850%0.497SS..THydrogen-bonded Turntrans-64.4-21.8173.6-98.7-78.7000114V126 V127 K128 I982 L986V126-Y130 PolarHBondContact O-N 3.02Å; V127-Y130 WeakPolarHBondContact O-CB 3.49Å; V127-Y130 PolarHBondContact O-N 3.07Å; K128-Y130 VanDerWaalsContact C-N 3.33Å; Y130-I982 HydrophobicContact CE1-CG2 4.43Å; Y130-I982 HydrophobicContact CE2-CG2 4.24Å; Y130-I982 WeakPolarHBondContact OH-CG2 3.39Å; Y130-L986 HydrophobicContact CD2-CD1 3.97Å; Y130-L986 HydrophobicContact CE1-CD1 4.16Å; Y130-L986 HydrophobicContact CE2-CD1 3.16Å; Y130-L986 HydrophobicContact CE2-CG 4.13Å; Y130-L986 WeakPolarHBondContact OH-CD1 3.29Å; Y130-L986 VanDerWaalsContact OH-CG 3.27Å; Y130-L986 WeakPolarHBondContact OH-CG 3.31Å
131L35.7Very low41.9Very low86 Ų8690.6 Ų90.645%0.4547%0.471SS..THydrogen-bonded Turntrans-111.9-16.4-170.9-64166.5000113.4K128 L129 A910 N911K128-L131 PolarHBondContact O-N 2.84Å; L129-L131 PolarHBondContact O-N 3.47Å; L131-A910 HydrophobicContact CB-CB 3.88Å; L131-A910 HydrophobicContact CD2-CB 3.27Å; L131-A910 HydrophobicContact CG-CB 4.13Å; L131-N911 PolarHBondContact O-OD1 2.92Å
132N34.7Very low43.9Very low78 Ų7889.8 Ų89.842%0.41746%0.457SS..SBendtrans-114.1113.6175.1-81.1-24.3000109.2K128 D134K128-N132 PolarHBondContact O-N 3.3Å; N132-D134 PolarHBondContact O-N 3.41Å
133E44.5Very low45.9Very low112 Ų11288.7 Ų88.752%0.52345%0.448SS..  trans-63.583.9162.4-69.1-175.5155.700108.7T135E133-T135 PolarHBondContact O-N 2.88Å
134D43Very low48.1Very low89 Ų8986.5 Ų86.548%0.47644%0.437SS..  trans-65.887.5162.6-102.6-26.5000107.4N132 K136 Y137N132-D134 PolarHBondContact O-N 3.41Å; D134-K136 PolarHBondContact O-N 3.44Å; D134-Y137 HydrophobicContact CB-CD2 3.87Å; D134-Y137 HydrophobicContact CB-CE2 4.47Å; D134-Y137 PolarHBondContact O-N 2.96Å; D134-Y137 VanDerWaalsContact O-N 3.09Å
135T42.9Very low50.6Low108 Ų10885.5 Ų85.566%0.66342%0.423SS*.Hα-helixtrans-49.8-22.6-170.447.60000114.7E133 A139E133-T135 PolarHBondContact O-N 2.88Å; T135-A139 WeakPolarHBondContact O-CB 3.41Å; T135-A139 PolarHBondContact O-N 2.84Å
136K46.6Very low52.9Low173 Ų17382.3 Ų82.375%0.75242%0.417SS*.Hα-helixtrans-79.8-38.9-178.3-151.3178.2-178.5-172.20113.5D134D134-K136 PolarHBondContact O-N 3.44Å
137Y52.2Low55.1Low88 Ų8882.3 Ų82.335%0.34542%0.423SS..Hα-helixtrans-77.1-40.2-179.6-66.2-76.3000111.7D134 A139 M140 L141D134-Y137 HydrophobicContact CB-CD2 3.87Å; D134-Y137 HydrophobicContact CB-CE2 4.47Å; D134-Y137 PolarHBondContact O-N 2.96Å; D134-Y137 VanDerWaalsContact O-N 3.09Å; Y137-A139 VanDerWaalsContact C-N 3.3Å; Y137-A139 PolarHBondContact O-N 2.93Å; Y137-M140 WeakPolarHBondContact O-CB 3.25Å; Y137-M140 PolarHBondContact O-N 2.92Å; Y137-M140 VanDerWaalsContact O-N 3.15Å; Y137-L141 PolarHBondContact O-N 3.39Å; Y137-L141 VanDerWaalsContact O-N 3.12Å
138L56.8Low57.8Low51 Ų5178.9 Ų78.927%0.26740%0.402SS..Hα-helixtrans-63.4-37.7177.7-169.365.2000111.6M140 L141 I142 I258L138-M140 VanDerWaalsContact C-N 3.31Å; L138-M140 PolarHBondContact O-N 3.41Å; L138-L141 PolarHBondContact O-N 2.9Å; L138-I142 HydrophobicContact CD1-CD1 4.17Å; L138-I142 HydrophobicContact CD1-CG1 4.48Å; L138-I142 HydrophobicContact CD2-CD1 4.29Å; L138-I142 HydrophobicContact CG-CD1 3.72Å; L138-I142 HydrophobicContact CG-CG1 4.4Å; L138-I142 WeakPolarHBondContact O-CB 3.46Å; L138-I142 VanDerWaalsContact O-CG1 3.26Å; L138-I142 WeakPolarHBondContact O-CG1 3.43Å; L138-I142 PolarHBondContact O-N 2.84Å; L138-I258 HydrophobicContact CD1-CD1 4.36Å; L138-I258 HydrophobicContact CD2-CD1 4.13Å
139A58.9Low60.4Low51 Ų5174.7 Ų74.742%0.42139%0.386SS..Hα-helixtrans-60.6-38.5174.100000112.6T135 Y137 T143T135-A139 WeakPolarHBondContact O-CB 3.41Å; T135-A139 PolarHBondContact O-N 2.84Å; Y137-A139 VanDerWaalsContact C-N 3.3Å; Y137-A139 PolarHBondContact O-N 2.93Å; A139-T143 PolarHBondContact O-N 2.82Å; A139-T143 PolarHBondContact O-OG1 3.44Å
140M62.5Low62.8Low91 Ų9171.2 Ų71.245%0.44837%0.368SS..Hα-helixtrans-69.2-34.3176.3-69.3-175.660.700113Y137 L138 K145 I997Y137-M140 WeakPolarHBondContact O-CB 3.25Å; Y137-M140 PolarHBondContact O-N 2.92Å; Y137-M140 VanDerWaalsContact O-N 3.15Å; L138-M140 VanDerWaalsContact C-N 3.31Å; L138-M140 PolarHBondContact O-N 3.41Å; M140-K145 WeakPolarHBondContact O-CE 3.28Å; M140-K145 PolarHBondContact O-NZ 3.42Å; M140-I997 HydrophobicContact CE-CD1 3.68Å; M140-I997 HydrophobicContact SD-CD1 4.06Å
141L65.4Low65.3Low39 Ų3969.3 Ų69.320%0.20437%0.368CS..Hα-helixtrans-72.9-34.5177.5-76.8173.3000112.8Y137 L138 V256 I993Y137-L141 PolarHBondContact O-N 3.39Å; Y137-L141 VanDerWaalsContact O-N 3.12Å; L138-L141 PolarHBondContact O-N 2.9Å; L141-V256 HydrophobicContact CB-CB 4.06Å; L141-V256 HydrophobicContact CB-CG2 3.92Å; L141-V256 HydrophobicContact CD2-CG2 4.12Å; L141-V256 HydrophobicContact CG-CG2 4.43Å; L141-V256 PolarHBondContact O-N 3.21Å; L141-I993 HydrophobicContact CD2-CD1 3.53Å; L141-I993 HydrophobicContact CG-CD1 4.31Å
142I69.7Low67.7Low23 Ų2366 Ų6612%0.11835%0.352CS..Hα-helixtrans-80.3-25.1-177.4-72.7174.5000112.8L138 G159 V256 R257 I258L138-I142 HydrophobicContact CD1-CD1 4.17Å; L138-I142 HydrophobicContact CD1-CG1 4.48Å; L138-I142 HydrophobicContact CD2-CD1 4.29Å; L138-I142 HydrophobicContact CG-CD1 3.72Å; L138-I142 HydrophobicContact CG-CG1 4.4Å; L138-I142 WeakPolarHBondContact O-CB 3.46Å; L138-I142 VanDerWaalsContact O-CG1 3.26Å; L138-I142 WeakPolarHBondContact O-CG1 3.43Å; L138-I142 PolarHBondContact O-N 2.84Å; I142-G159 VanDerWaalsContact CG2-CA 3.46Å; I142-V256 WeakPolarHBondContact CA-O 3.49Å; I142-R257 PolarHBondContact O-NH1 3.24Å; I142-I258 HydrophobicContact CD1-CD1 3.74Å; I142-I258 HydrophobicContact CD1-CG1 4.32Å
143T75.2Confident69.9Low87 Ų8767.3 Ų67.353%0.53436%0.359SS..SBendtrans-70.6146.2-176.5-530000111.3A139 K145A139-T143 PolarHBondContact O-N 2.82Å; A139-T143 PolarHBondContact O-OG1 3.44Å; T143-K145 WeakPolarHBondContact O-CG 3.08Å
144D83.4Confident71.4Confident71 Ų7164.4 Ų64.438%0.3835%0.352SS..  trans-59.6141.5170.3-74.1-9.8000110.9I148 S149 R257D144-I148 WeakPolarHBondContact CB-O 3.38Å; D144-S149 WeakPolarHBondContact OD2-CA 3.38Å; D144-S149 WeakPolarHBondContact OD2-CB 3.38Å; D144-S149 PolarHBondContact OD2-OG 3.28Å; D144-R257 IonicContact OD1-CZ 2.71Å; D144-R257 IonicContact OD1-NH2 2.68Å; D144-R257 PolarHBondContact OD1-NH2 3.03Å
145K84.4Confident72.9Confident49 Ų4965.3 Ų65.321%0.21336%0.362CS..BIsolated β-bridgetrans-132.6143.5-174.3-61.5179.5-173.4171.20111.2M140 T143 G147 I148 F253 H254 I255M140-K145 WeakPolarHBondContact O-CE 3.28Å; M140-K145 PolarHBondContact O-NZ 3.42Å; T143-K145 WeakPolarHBondContact O-CG 3.08Å; K145-G147 PolarHBondContact O-N 3.36Å; K145-I148 PolarHBondContact N-O 3.38Å; K145-I148 WeakPolarHBondContact O-CB 3.2Å; K145-I148 PolarHBondContact O-N 3.16Å; K145-F253 HydrophobicContact CB-CD2 4.01Å; K145-F253 HydrophobicContact CB-CE2 4.15Å; K145-F253 HydrophobicContact CD-CD2 4.43Å; K145-H254 WeakPolarHBondContact CE-O 3.39Å; K145-H254 PolarHBondContact NZ-O 3.43Å; K145-I255 HydrophobicContact CB-CD1 4.39Å; K145-I255 HydrophobicContact CB-CG1 4.3Å; K145-I255 HydrophobicContact CD-CG1 4.47Å; K145-I255 HydrophobicContact CG-CG1 4.39Å
146H81.9Confident74.2Confident144 Ų14462.4 Ų62.467%0.66734%0.341SS*.THydrogen-bonded Turntrans51.931.9172.1-53.6-73.2000115.1I148 F253H146-I148 VanDerWaalsContact C-N 3.3Å; H146-F253 HydrophobicContact CB-CE1 4.22Å; H146-F253 HydrophobicContact CB-CE2 4.33Å; H146-F253 HydrophobicContact CB-CZ 3.92Å; H146-F253 AromaticContact CD2-CD1 3.74Å; H146-F253 AromaticContact CD2-CD2 3.71Å; H146-F253 AromaticContact CD2-CE1 3.94Å; H146-F253 AromaticContact CD2-CE2 3.91Å; H146-F253 AromaticContact CD2-CG 3.61Å
147G81.1Confident74.9Confident28 Ų2861 Ų6129%0.28934%0.336SS..THydrogen-bonded Turntrans74.816.5-177.100000114.1K145 N178 T179 G180K145-G147 PolarHBondContact O-N 3.36Å; G147-N178 CarbonylContact O-C 3.59Å; G147-N178 PolarHBondContact O-OD1 3.13Å; G147-T179 CarbonylContact O-C 3.56Å; G147-T179 WeakPolarHBondContact O-CA 2.99Å; G147-T179 PolarHBondContact O-N 2.82Å; G147-T179 PolarHBondContact O-OG1 2.92Å; G147-G180 PolarHBondContact O-N 2.96Å
148I89.8Confident75.2Confident2 Ų264.4 Ų64.41%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-101.4126.5170-54-52.8000109D144 K145 H146 V176 K177 N178 V184 F242 F253 I255D144-I148 WeakPolarHBondContact CB-O 3.38Å; K145-I148 PolarHBondContact N-O 3.38Å; K145-I148 WeakPolarHBondContact O-CB 3.2Å; K145-I148 PolarHBondContact O-N 3.16Å; H146-I148 VanDerWaalsContact C-N 3.3Å; I148-V176 HydrophobicContact CG2-CG1 4.23Å; I148-K177 WeakPolarHBondContact CA-O 3.2Å; I148-N178 HydrophobicContact CD1-CB 3.73Å; I148-V184 HydrophobicContact CD1-CB 4.29Å; I148-V184 HydrophobicContact CD1-CG1 3.44Å; I148-V184 VanDerWaalsContact CD1-CG1 3.44Å; I148-V184 HydrophobicContact CG1-CG1 4.06Å; I148-F242 HydrophobicContact CG2-CD1 4.28Å; I148-F242 HydrophobicContact CG2-CE1 3.76Å; I148-F242 HydrophobicContact CG2-CE2 4.07Å; I148-F242 HydrophobicContact CG2-CZ 3.65Å; I148-F253 HydrophobicContact CG1-CE2 4.22Å; I148-F253 HydrophobicContact CG1-CZ 3.88Å; I148-I255 HydrophobicContact CB-CD1 3.85Å; I148-I255 HydrophobicContact CG2-CD1 3.84Å
149S87.6Confident75.4Confident20 Ų2062.7 Ų62.714%0.1436%0.355CS..EExtended strand (participates in β ladder)trans-120.9132.5178.3-169.60000110.4D144 K177D144-S149 WeakPolarHBondContact OD2-CA 3.38Å; D144-S149 WeakPolarHBondContact OD2-CB 3.38Å; D144-S149 PolarHBondContact OD2-OG 3.28Å; S149-K177 PolarHBondContact N-O 3.33Å; S149-K177 PolarHBondContact O-N 3.09Å
150I88Confident76Confident2 Ų263 Ų631%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-111.8110.4174.6-52.2-179.9000108.2N175 V176 F240 F242 I255 R257I150-N175 WeakPolarHBondContact CA-O 3.37Å; I150-V176 HydrophobicContact CD1-CG2 4.49Å; I150-V176 HydrophobicContact CG1-CG1 4.47Å; I150-V176 HydrophobicContact CG1-CG2 4.28Å; I150-V176 HydrophobicContact CG2-CG2 4.4Å; I150-F240 HydrophobicContact CD1-CB 3.76Å; I150-F240 HydrophobicContact CD1-CD1 3.85Å; I150-F240 HydrophobicContact CD1-CD2 3.39Å; I150-F240 HydrophobicContact CD1-CE1 4.32Å; I150-F240 HydrophobicContact CD1-CE2 3.9Å; I150-F240 HydrophobicContact CD1-CG 3.38Å; I150-F240 HydrophobicContact CD1-CZ 4.34Å; I150-F240 HydrophobicContact CG2-CE2 4.49Å; I150-F240 HydrophobicContact CG2-CZ 4.39Å; I150-F242 HydrophobicContact CD1-CE2 4.36Å; I150-F242 HydrophobicContact CD1-CZ 4.29Å; I150-I255 HydrophobicContact CD1-CB 3.94Å; I150-I255 HydrophobicContact CD1-CG2 3.69Å; I150-I255 HydrophobicContact CG1-CG2 4.22Å; I150-R257 HydrophobicContact CB-CG 4.25Å; I150-R257 HydrophobicContact CG2-CG 3.97Å; I150-R257 PolarHBondContact O-NE 3.07Å; I150-R257 PolarHBondContact O-NH2 3.32Å
151T87Confident76.9Confident64 Ų6458.6 Ų58.639%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-114.9171.8-18062.40000110.8L174 N175T151-L174 CarbonylContact O-C 3.58Å; T151-L174 WeakPolarHBondContact O-CA 3.39Å; T151-N175 PolarHBondContact N-O 2.64Å; T151-N175 PolarHBondContact O-N 2.82Å
152A86.6Confident77.5Confident16 Ų1659.1 Ų59.113%0.13233%0.33CS..EExtended strand (participates in β ladder)trans-139.5164.8176.900000109S154 F156 L161 V172 K173 L174A152-S154 CarbonylContact C-O 3.55Å; A152-S154 WeakPolarHBondContact CB-O 3.49Å; A152-S154 PolarHBondContact O-N 2.81Å; A152-F156 HydrophobicContact CB-CD2 4.36Å; A152-F156 HydrophobicContact CB-CE2 3.62Å; A152-F156 HydrophobicContact CB-CZ 4.1Å; A152-L161 HydrophobicContact CB-CD1 3.95Å; A152-L161 HydrophobicContact CB-CD2 4.11Å; A152-V172 HydrophobicContact CB-CG1 4.12Å; A152-K173 VanDerWaalsContact CA-O 3.28Å; A152-K173 WeakPolarHBondContact CA-O 3.16Å; A152-L174 HydrophobicContact CB-CD2 3.66Å
153D80.8Confident77.9Confident105 Ų10558.5 Ų58.556%0.56133%0.327SS*.SBendtrans-58.6-30175.3-64.7-24.8000112.3K173D153-K173 PolarHBondContact N-O 3.39Å; D153-K173 WeakPolarHBondContact OD2-CB 3.22Å; D153-K173 WeakPolarHBondContact OD2-CD 3.29Å
154S76.4Confident77.8Confident52 Ų5257.9 Ų57.936%0.36433%0.326SS..SBendtrans-100.2142.6169.1-630000110.6A152A152-S154 CarbonylContact C-O 3.55Å; A152-S154 WeakPolarHBondContact CB-O 3.49Å; A152-S154 PolarHBondContact O-N 2.81Å
155P72.7Confident77.3Confident107 Ų10754.8 Ų54.870%0.69531%0.309SS*.PPolyproline II helixtrans-66.1142.6-177.827.2-34000111.7
156F70.4Confident76.3Confident48 Ų4859.2 Ų59.221%0.21133%0.331CS..PPolyproline II helixtrans-77.5122.6168.2-74.9-90.3000109.8A152 K160 L161 L174 R257A152-F156 HydrophobicContact CB-CD2 4.36Å; A152-F156 HydrophobicContact CB-CE2 3.62Å; A152-F156 HydrophobicContact CB-CZ 4.1Å; F156-K160 WeakPolarHBondContact CA-O 3.45Å; F156-L161 HydrophobicContact CD1-CB 3.8Å; F156-L161 HydrophobicContact CE1-CB 3.42Å; F156-L161 VanDerWaalsContact CE1-CB 3.42Å; F156-L161 HydrophobicContact CZ-CB 3.98Å; F156-L161 HydrophobicContact CZ-CD2 4.49Å; F156-L174 HydrophobicContact CZ-CD2 3.99Å; F156-R257 HydrophobicContact CE1-CB 4.1Å; F156-R257 HydrophobicContact CE1-CG 4.1Å; F156-R257 HydrophobicContact CZ-CB 4.36Å; F156-R257 HydrophobicContact CZ-CG 4.06Å
157E62.7Low75.3Confident142 Ų14258.2 Ų58.266%0.66433%0.33SS*.BIsolated β-bridgetrans-97.2118.6170.5-70.9-172.3174.400109G159 K160E157-G159 PolarHBondContact O-N 3.38Å; E157-G159 VanDerWaalsContact O-N 3.11Å; E157-K160 PolarHBondContact N-O 3.36Å; E157-K160 WeakPolarHBondContact O-CB 3.32Å; E157-K160 PolarHBondContact O-N 3.18Å
158N57.3Low74.7Confident160 Ų16060.4 Ų60.486%0.85634%0.338SS*.THydrogen-bonded Turntrans5133.8-174.7-60.1-30.8000113.7K160N158-K160 VanDerWaalsContact C-N 3.35Å
159G61.7Low74.2Confident15 Ų1564.2 Ų64.216%0.15536%0.358CS..THydrogen-bonded Turntrans79.811.4-18000000116.1I142 E157I142-G159 VanDerWaalsContact CG2-CA 3.46Å; E157-G159 PolarHBondContact O-N 3.38Å; E157-G159 VanDerWaalsContact O-N 3.11Å
160K72.3Confident74Confident57 Ų5766.6 Ų66.625%0.24837%0.367CS..EExtended strand (participates in β ladder)trans-112.8131.4178-61.6173.8163.1-1530110.3F156 E157 N158 I258 E260F156-K160 WeakPolarHBondContact CA-O 3.45Å; E157-K160 PolarHBondContact N-O 3.36Å; E157-K160 WeakPolarHBondContact O-CB 3.32Å; E157-K160 PolarHBondContact O-N 3.18Å; N158-K160 VanDerWaalsContact C-N 3.35Å; K160-I258 CarbonylContact C-O 3.54Å; K160-I258 WeakPolarHBondContact CA-O 3.42Å; K160-I258 HydrophobicContact CG-CB 4.07Å; K160-I258 HydrophobicContact CG-CD1 4.39Å; K160-I258 HydrophobicContact CG-CG2 4.21Å; K160-E260 VanDerWaalsContact CD-OE1 3.27Å; K160-E260 WeakPolarHBondContact CD-OE1 3.13Å; K160-E260 WeakPolarHBondContact CE-OE1 3.38Å; K160-E260 IonicContact NZ-OE1 3.97Å; K160-E260 PolarHBondContact NZ-OE1 3.36Å
161L80.1Confident73.9Confident0 Ų069.3 Ų69.30%038%0.384CS..EExtended strand (participates in β ladder)trans-93.8110.7170.9174.666000108.2A152 F156 L163 V172 L174 I258 I259 E260A152-L161 HydrophobicContact CB-CD1 3.95Å; A152-L161 HydrophobicContact CB-CD2 4.11Å; F156-L161 HydrophobicContact CD1-CB 3.8Å; F156-L161 HydrophobicContact CE1-CB 3.42Å; F156-L161 VanDerWaalsContact CE1-CB 3.42Å; F156-L161 HydrophobicContact CZ-CB 3.98Å; F156-L161 HydrophobicContact CZ-CD2 4.49Å; L161-L163 HydrophobicContact CD1-CD2 4.25Å; L161-L163 HydrophobicContact CD2-CD2 4.13Å; L161-L163 HydrophobicContact CG-CD2 3.88Å; L161-L163 HydrophobicContact CG-CG 4.48Å; L161-V172 HydrophobicContact CD2-CB 4.48Å; L161-V172 HydrophobicContact CD2-CG1 3.86Å; L161-L174 HydrophobicContact CD2-CD2 3.96Å; L161-I258 PolarHBondContact N-O 2.78Å; L161-I259 HydrophobicContact CD2-CG1 4.3Å; L161-I259 HydrophobicContact CD2-CG2 4.43Å; L161-I259 CarbonylContact O-C 3.55Å; L161-I259 WeakPolarHBondContact O-CA 3.24Å; L161-E260 PolarHBondContact O-N 2.91Å
162V77.4Confident73.9Confident50 Ų5066.8 Ų66.830%0.30337%0.368SS..EExtended strand (participates in β ladder)trans-94.5122-179.4-176.10000109.7E260V162-E260 WeakPolarHBondContact CA-O 3.43Å; V162-E260 HydrophobicContact CG2-CB 4.4Å
163L78.6Confident74.1Confident9 Ų969.7 Ų69.75%0.04738%0.378CS..EExtended strand (participates in β ladder)trans-107.3120.6176.4-50.5-179.1000109.4L161 V165 V172 I259 E260 A261 R262L161-L163 HydrophobicContact CD1-CD2 4.25Å; L161-L163 HydrophobicContact CD2-CD2 4.13Å; L161-L163 HydrophobicContact CG-CD2 3.88Å; L161-L163 HydrophobicContact CG-CG 4.48Å; L163-V165 HydrophobicContact CB-CG2 4.28Å; L163-V172 HydrophobicContact CD1-CG2 4.39Å; L163-V172 HydrophobicContact CD2-CB 4.29Å; L163-V172 HydrophobicContact CD2-CG2 3.36Å; L163-I259 HydrophobicContact CD1-CG2 3.69Å; L163-I259 HydrophobicContact CG-CG2 4.11Å; L163-E260 PolarHBondContact N-O 2.88Å; L163-A261 HydrophobicContact CB-CB 4.37Å; L163-R262 PolarHBondContact O-N 3.42Å
164C72.8Confident74.5Confident75 Ų7564.7 Ų64.751%0.50735%0.351SS..EExtended strand (participates in β ladder)trans-97.998.3173.2-78.80000109.6Q166C164-Q166 PolarHBondContact O-N 3.19Å
165V73.1Confident75.2Confident6 Ų663.9 Ų63.94%0.03634%0.343CS..EExtended strand (participates in β ladder)trans-91.193.7-172.7-177.90000108.3L163 N167 E170 F226 A261 R262L163-V165 HydrophobicContact CB-CG2 4.28Å; V165-N167 WeakPolarHBondContact CG1-O 2.88Å; V165-E170 HydrophobicContact CB-CG 4.17Å; V165-E170 HydrophobicContact CG1-CG 4.17Å; V165-E170 HydrophobicContact CG2-CB 4.01Å; V165-E170 HydrophobicContact CG2-CG 3.8Å; V165-F226 HydrophobicContact CG1-CD1 4.44Å; V165-F226 HydrophobicContact CG2-CD1 3.82Å; V165-F226 HydrophobicContact CG2-CE1 4.31Å; V165-A261 HydrophobicContact CG2-CB 4.42Å; V165-R262 PolarHBondContact N-O 2.79Å
166Q65Low76.1Confident142 Ų14258.8 Ų58.866%0.66431%0.309SS*.  trans-85.7-22.5175.2-67.1-174.7-5.300112.6C164C164-Q166 PolarHBondContact O-N 3.19Å
167N60.6Low77.1Confident122 Ų12260.8 Ų60.865%0.65232%0.318SS*.SBendtrans-111.6168.6178.5-67.1-28.8000110.5V165 L169V165-N167 WeakPolarHBondContact CG1-O 2.88Å; N167-L169 PolarHBondContact O-N 3.48Å
168T68Low78.5Confident74 Ų7454.1 Ų54.145%0.45429%0.287SS..SBendtrans-65.8-10.4-176.355.10000115.1R227 C228 E229T168-R227 CarbonylContact O-C 3.53Å; T168-R227 VanDerWaalsContact O-CA 3.23Å; T168-R227 WeakPolarHBondContact O-CA 3.42Å; T168-R227 WeakPolarHBondContact O-CG 3.38Å; T168-C228 PolarHBondContact O-N 3Å; T168-C228 VanDerWaalsContact O-N 3.16Å; T168-E229 HydrophobicContact CG2-CG 3.94Å
169L80Confident80.1Confident83 Ų8350.8 Ų50.844%0.43527%0.273SS..EExtended strand (participates in β ladder)trans-145132.8-176.7179.570.1000110.7N167 V171 R225 F226 R227N167-L169 PolarHBondContact O-N 3.48Å; L169-V171 HydrophobicContact CD2-CG2 4.49Å; L169-V171 HydrophobicContact CG-CG2 4.31Å; L169-R225 HydrophobicContact CD1-CB 4.46Å; L169-F226 CarbonylContact C-O 3.46Å; L169-F226 WeakPolarHBondContact CA-O 3.42Å; L169-R227 HydrophobicContact CD1-CB 3.83Å; L169-R227 HydrophobicContact CD1-CG 4.24Å
170E82.7Confident81.2Confident70 Ų7050.5 Ų50.533%0.32727%0.27SS..EExtended strand (participates in β ladder)trans-127.4146.3167.3-85.9-64.2165.900110.3V165 F226V165-E170 HydrophobicContact CB-CG 4.17Å; V165-E170 HydrophobicContact CG1-CG 4.17Å; V165-E170 HydrophobicContact CG2-CB 4.01Å; V165-E170 HydrophobicContact CG2-CG 3.8Å; E170-F226 PolarHBondContact N-O 2.94Å; E170-F226 PolarHBondContact O-N 3.29Å
171V85.9Confident81.7Confident59 Ų5953.8 Ų53.836%0.35830%0.297SS..EExtended strand (participates in β ladder)trans-131.5125.7-178-177.70000109.3L169 E223 V224 R225L169-V171 HydrophobicContact CD2-CG2 4.49Å; L169-V171 HydrophobicContact CG-CG2 4.31Å; V171-E223 HydrophobicContact CG1-CG 3.58Å; V171-E223 WeakPolarHBondContact CG1-OE1 3.43Å; V171-V224 WeakPolarHBondContact CA-O 2.91Å; V171-R225 HydrophobicContact CG1-CG 4.18Å; V171-R225 HydrophobicContact CG2-CG 4Å
172V87.7Confident82Confident11 Ų1161.1 Ų61.17%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-129.7139.6176.3178.70000110.9A152 L161 L163 V224A152-V172 HydrophobicContact CB-CG1 4.12Å; L161-V172 HydrophobicContact CD2-CB 4.48Å; L161-V172 HydrophobicContact CD2-CG1 3.86Å; L163-V172 HydrophobicContact CD1-CG2 4.39Å; L163-V172 HydrophobicContact CD2-CB 4.29Å; L163-V172 HydrophobicContact CD2-CG2 3.36Å; V172-V224 PolarHBondContact N-O 2.86Å; V172-V224 WeakPolarHBondContact O-CA 3.49Å; V172-V224 WeakPolarHBondContact O-CB 3.12Å; V172-V224 PolarHBondContact O-N 2.69Å
173K89.2Confident82.6Confident76 Ų7660.7 Ų60.733%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-95.5127.2175.5-63.3159.2166.5-113.90110A152 D153 E221A152-K173 VanDerWaalsContact CA-O 3.28Å; A152-K173 WeakPolarHBondContact CA-O 3.16Å; D153-K173 PolarHBondContact N-O 3.39Å; D153-K173 WeakPolarHBondContact OD2-CB 3.22Å; D153-K173 WeakPolarHBondContact OD2-CD 3.29Å; K173-E221 HydrophobicContact CB-CG 3.87Å; K173-E221 WeakPolarHBondContact CD-OE1 3.21Å; K173-E221 WeakPolarHBondContact CD-OE2 3.36Å; K173-E221 WeakPolarHBondContact CE-OE1 3.3Å; K173-E221 HydrophobicContact CG-CG 4.12Å; K173-E221 WeakPolarHBondContact CG-OE1 3.23Å; K173-E221 IonicContact NZ-OE1 2.72Å; K173-E221 PolarHBondContact NZ-OE1 3.08Å; K173-E221 IonicContact NZ-OE2 2.65Å; K173-E221 PolarHBondContact NZ-OE2 3.03Å
174L90.3Very high83.2Confident0 Ų060.6 Ų60.60%033%0.33CS..EExtended strand (participates in β ladder)trans-96.2133.3168.6-60.9-178.3000109T151 A152 F156 L161 E221 I222 V224 L238 F240 I259T151-L174 CarbonylContact O-C 3.58Å; T151-L174 WeakPolarHBondContact O-CA 3.39Å; A152-L174 HydrophobicContact CB-CD2 3.66Å; F156-L174 HydrophobicContact CZ-CD2 3.99Å; L161-L174 HydrophobicContact CD2-CD2 3.96Å; L174-E221 CarbonylContact O-C 3.59Å; L174-E221 WeakPolarHBondContact O-CA 3.12Å; L174-I222 HydrophobicContact CB-CB 4.36Å; L174-I222 PolarHBondContact N-O 2.96Å; L174-I222 PolarHBondContact O-N 3.12Å; L174-V224 HydrophobicContact CD1-CG2 3.59Å; L174-V224 HydrophobicContact CG-CG2 3.68Å; L174-L238 HydrophobicContact CD1-CD1 3.74Å; L174-F240 HydrophobicContact CD1-CZ 3.92Å; L174-I259 HydrophobicContact CD1-CD1 4.39Å
175N90.6Very high84.1Confident35 Ų3560 Ų6019%0.18732%0.318CS..EExtended strand (participates in β ladder)trans-112113178.7-70.8-61.4000109.6I150 T151 Y220I150-N175 WeakPolarHBondContact CA-O 3.37Å; T151-N175 PolarHBondContact N-O 2.64Å; T151-N175 PolarHBondContact O-N 2.82Å; N175-Y220 WeakPolarHBondContact CA-O 3.35Å
176V91.7Very high85Confident0 Ų059.8 Ų59.80%032%0.316CS..EExtended strand (participates in β ladder)trans-91.2109.8172.1-177.60000107.9I148 I150 L214 S219 Y220 I222 F240 F242I148-V176 HydrophobicContact CG2-CG1 4.23Å; I150-V176 HydrophobicContact CD1-CG2 4.49Å; I150-V176 HydrophobicContact CG1-CG1 4.47Å; I150-V176 HydrophobicContact CG1-CG2 4.28Å; I150-V176 HydrophobicContact CG2-CG2 4.4Å; V176-L214 HydrophobicContact CG1-CD1 4.07Å; V176-S219 CarbonylContact O-C 3.59Å; V176-S219 WeakPolarHBondContact O-CA 3.4Å; V176-Y220 PolarHBondContact N-O 2.68Å; V176-Y220 PolarHBondContact O-N 3.27Å; V176-I222 HydrophobicContact CG2-CD1 3.97Å; V176-F240 HydrophobicContact CG2-CD1 4.27Å; V176-F240 HydrophobicContact CG2-CE1 4.27Å; V176-F242 HydrophobicContact CG1-CE1 3.68Å; V176-F242 HydrophobicContact CG1-CZ 3.66Å
177K91.9Very high86Confident91 Ų9153.3 Ų53.340%0.39629%0.286SS..EExtended strand (participates in β ladder)trans-118.8134-174.9-171175.2-176.1175.40112.1I148 S149 T179 D218I148-K177 WeakPolarHBondContact CA-O 3.2Å; S149-K177 PolarHBondContact N-O 3.33Å; S149-K177 PolarHBondContact O-N 3.09Å; K177-T179 HydrophobicContact CD-CG2 4.11Å; K177-T179 HydrophobicContact CG-CG2 4.11Å; K177-D218 WeakPolarHBondContact CA-O 3.48Å
178N92.5Very high87.3Confident1 Ų149.4 Ų49.41%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-89104.2168.8-172.7-3.2000110.1G147 I148 G180 Q182 L214 N215 G217 D218G147-N178 CarbonylContact O-C 3.59Å; G147-N178 PolarHBondContact O-OD1 3.13Å; I148-N178 HydrophobicContact CD1-CB 3.73Å; N178-G180 PolarHBondContact OD1-N 3.31Å; N178-Q182 PolarHBondContact ND2-O 3.28Å; N178-L214 HydrophobicContact CB-CB 4.31Å; N178-L214 PolarHBondContact ND2-O 2.98Å; N178-N215 WeakPolarHBondContact CB-O 3.48Å; N178-G217 WeakPolarHBondContact O-CA 3.47Å; N178-G217 PolarHBondContact O-N 3.02Å; N178-D218 PolarHBondContact N-O 3.34Å
179T89.2Confident88.2Confident91 Ų9147.2 Ų47.256%0.55825%0.246SC*.  trans-97-2.5173.562.60000112.8G147 K177G147-T179 CarbonylContact O-C 3.56Å; G147-T179 WeakPolarHBondContact O-CA 2.99Å; G147-T179 PolarHBondContact O-N 2.82Å; G147-T179 PolarHBondContact O-OG1 2.92Å; K177-T179 HydrophobicContact CD-CG2 4.11Å; K177-T179 HydrophobicContact CG-CG2 4.11Å
180G86Confident88.1Confident9 Ų944.6 Ų44.69%0.09323%0.234CC..SBendtrans-80.9167.8179.300000113.4G147 N178 Q182 P216G147-G180 PolarHBondContact O-N 2.96Å; N178-G180 PolarHBondContact OD1-N 3.31Å; G180-Q182 VanDerWaalsContact C-N 3.31Å; G180-P216 WeakPolarHBondContact O-CB 3.25Å
181P82.8Confident87.5Confident125 Ų12541.7 Ų41.781%0.81222%0.221SC*.SBendtrans-81.5-7.1179.232.5-34.7000113.9
182Q87.3Confident86.6Confident155 Ų15539.8 Ų39.872%0.72421%0.209SC*.SBendtrans-119.6146.5-175-67.4-178.9-23.800110.8N178 G180N178-Q182 PolarHBondContact ND2-O 3.28Å; G180-Q182 VanDerWaalsContact C-N 3.31Å
183S88.8Confident85.5Confident40 Ų4041.4 Ų41.428%0.2822%0.216SC..  trans-72149.7173.2-53.90000111.1L214 N215 P216S183-L214 VanDerWaalsContact CA-O 3.28Å; S183-L214 WeakPolarHBondContact CA-O 3.31Å; S183-N215 PolarHBondContact OG-OD1 2.89Å; S183-P216 WeakPolarHBondContact OG-CD 3.49Å
184V92.4Very high84.2Confident8 Ų843.8 Ų43.85%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-135.5153.5178.580.40000110.5I148 L214 F242 K243 F253I148-V184 HydrophobicContact CD1-CB 4.29Å; I148-V184 HydrophobicContact CD1-CG1 3.44Å; I148-V184 VanDerWaalsContact CD1-CG1 3.44Å; I148-V184 HydrophobicContact CG1-CG1 4.06Å; V184-L214 HydrophobicContact CG1-CB 4.12Å; V184-L214 HydrophobicContact CG1-CD1 4.35Å; V184-L214 PolarHBondContact N-O 3.49Å; V184-L214 PolarHBondContact O-N 2.94Å; V184-F242 HydrophobicContact CG1-CD1 4.15Å; V184-F242 HydrophobicContact CG2-CB 3.99Å; V184-K243 WeakPolarHBondContact CG2-O 3.5Å; V184-F253 HydrophobicContact CG2-CE1 3.95Å; V184-F253 HydrophobicContact CG2-CZ 4.09Å
185Y90.9Very high83.1Confident63 Ų6344.8 Ų44.825%0.24723%0.228CC..EExtended strand (participates in β ladder)trans-93.1118.7167.3-68.7-90.6000109.9T187 P211 L212 F213 F242 K243 L246Y185-T187 PolarHBondContact O-N 3.2Å; Y185-P211 HydrophobicContact CD1-CB 4.45Å; Y185-L212 CarbonylContact C-O 3.59Å; Y185-L212 WeakPolarHBondContact CA-O 3.24Å; Y185-F213 HydrophobicContact CD1-CB 4.22Å; Y185-F213 AromaticContact CD1-CD2 3.82Å; Y185-F213 HydrophobicContact CD1-CD2 3.82Å; Y185-F213 HydrophobicContact CD2-CD2 4Å; Y185-F213 HydrophobicContact CD2-CE2 4.28Å; Y185-F213 HydrophobicContact CE1-CB 4.01Å; Y185-F213 AromaticContact CE1-CD2 3.43Å; Y185-F213 HydrophobicContact CE1-CD2 3.43Å; Y185-F213 VanDerWaalsContact CE1-CD2 3.43Å; Y185-F213 HydrophobicContact CE1-CE2 4.24Å; Y185-F213 HydrophobicContact CE1-CG 4.08Å; Y185-F213 AromaticContact CE2-CD2 3.63Å; Y185-F213 HydrophobicContact CE2-CD2 3.63Å; Y185-F213 AromaticContact CE2-CE2 3.68Å; Y185-F213 HydrophobicContact CE2-CE2 3.68Å; Y185-F213 HydrophobicContact CG-CD2 4.09Å; Y185-F213 AromaticContact CZ-CD2 3.33Å; Y185-F213 AromaticContact CZ-CE2 3.66Å; Y185-F242 CarbonylContact O-C 3.55Å; Y185-F242 VanDerWaalsContact O-CA 3.23Å; Y185-F242 WeakPolarHBondContact O-CA 3.34Å; Y185-K243 PolarHBondContact N-O 3.15Å; Y185-K243 PolarHBondContact O-N 3.3Å; Y185-L246 HydrophobicContact CD1-CD1 3.95Å; Y185-L246 HydrophobicContact CD1-CD2 3.9Å; Y185-L246 HydrophobicContact CD1-CG 3.9Å; Y185-L246 HydrophobicContact CD2-CD2 4.32Å; Y185-L246 HydrophobicContact CD2-CG 4.1Å; Y185-L246 HydrophobicContact CE1-CD1 3.7Å; Y185-L246 HydrophobicContact CE1-CD2 4.45Å; Y185-L246 HydrophobicContact CE1-CG 3.95Å; Y185-L246 HydrophobicContact CE2-CG 4.17Å; Y185-L246 HydrophobicContact CG-CD2 3.82Å; Y185-L246 HydrophobicContact CG-CG 3.97Å
186F91.8Very high82.1Confident0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-81.5105.4164.7175.5-143.5000108.3Y188 Y189 V206 P211 L212 L214 Y220 I222 F240 E241 F242F186-Y188 WeakPolarHBondContact CE2-O 3.3Å; F186-Y189 HydrophobicContact CE1-CD1 4.14Å; F186-Y189 HydrophobicContact CE2-CD1 4.4Å; F186-Y189 AromaticContact CZ-CD1 3.51Å; F186-Y189 HydrophobicContact CZ-CD1 3.51Å; F186-Y189 HydrophobicContact CZ-CE1 4.45Å; F186-Y189 AromaticContact CZ-CG 3.98Å; F186-Y189 HydrophobicContact CZ-CG 3.98Å; F186-V206 HydrophobicContact CD1-CB 4.38Å; F186-V206 HydrophobicContact CD1-CG1 3.87Å; F186-V206 HydrophobicContact CD1-CG2 4.17Å; F186-V206 HydrophobicContact CE1-CB 4.19Å; F186-V206 HydrophobicContact CE1-CG1 4.04Å; F186-V206 HydrophobicContact CE1-CG2 4.15Å; F186-V206 HydrophobicContact CG-CG1 4.24Å; F186-V206 VanDerWaalsContact O-CG1 3.24Å; F186-V206 WeakPolarHBondContact O-CG1 3.3Å; F186-P211 CarbonylContact O-C 3.54Å; F186-P211 WeakPolarHBondContact O-CA 3.34Å; F186-L212 HydrophobicContact CB-CB 4.31Å; F186-L212 HydrophobicContact CD1-CB 4.42Å; F186-L212 HydrophobicContact CD1-CD2 4.3Å; F186-L212 PolarHBondContact N-O 3.31Å; F186-L212 PolarHBondContact O-N 3.23Å; F186-L214 HydrophobicContact CB-CD1 3.78Å; F186-L214 HydrophobicContact CB-CG 4.34Å; F186-Y220 HydrophobicContact CD1-CD1 4.27Å; F186-Y220 HydrophobicContact CE1-CD1 4.04Å; F186-Y220 HydrophobicContact CE1-CE1 4.32Å; F186-I222 HydrophobicContact CE1-CD1 3.94Å; F186-I222 HydrophobicContact CZ-CD1 3.9Å; F186-F240 HydrophobicContact CE2-CB 4.13Å; F186-F240 AromaticContact CE2-CD1 3.86Å; F186-F240 HydrophobicContact CE2-CD1 3.86Å; F186-F240 AromaticContact CZ-CD1 3.81Å; F186-F240 HydrophobicContact CZ-CD1 3.81Å; F186-F240 HydrophobicContact CZ-CE1 4.48Å; F186-E241 WeakPolarHBondContact CD2-O 3.48Å; F186-F242 HydrophobicContact CB-CD1 3.89Å; F186-F242 HydrophobicContact CB-CE1 3.74Å; F186-F242 AromaticContact CD2-CD1 3.91Å; F186-F242 HydrophobicContact CD2-CD1 3.91Å; F186-F242 AromaticContact CD2-CE1 3.41Å; F186-F242 HydrophobicContact CD2-CE1 3.41Å; F186-F242 VanDerWaalsContact CD2-CE1 3.41Å; F186-F242 AromaticContact CD2-CZ 3.77Å; F186-F242 HydrophobicContact CD2-CZ 3.77Å; F186-F242 HydrophobicContact CE2-CE1 4.23Å; F186-F242 HydrophobicContact CE2-CZ 4.15Å; F186-F242 HydrophobicContact CG-CD1 4.28Å; F186-F242 AromaticContact CG-CE1 3.76Å; F186-F242 HydrophobicContact CG-CE1 3.76Å; F186-F242 HydrophobicContact CG-CZ 4.45Å
187T86.7Confident81.5Confident7 Ų755.1 Ų55.14%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-85.9-47.2-166.156.50000112Y185 T207 K208 P211 E241 K243Y185-T187 PolarHBondContact O-N 3.2Å; T187-T207 CarbonylContact O-C 3.56Å; T187-T207 WeakPolarHBondContact O-CA 3.42Å; T187-K208 PolarHBondContact O-N 3.41Å; T187-P211 HydrophobicContact CG2-CB 4.35Å; T187-E241 PolarHBondContact N-O 3.08Å; T187-E241 VanDerWaalsContact OG1-CB 3.25Å; T187-E241 WeakPolarHBondContact OG1-CB 3.43Å; T187-E241 VanDerWaalsContact OG1-CD 3.31Å; T187-E241 WeakPolarHBondContact OG1-CG 3.36Å; T187-E241 PolarHBondContact OG1-O 3.43Å; T187-E241 VanDerWaalsContact OG1-O 3.13Å; T187-E241 PolarHBondContact OG1-OE1 3.31Å; T187-K243 HydrophobicContact CG2-CB 4.19Å; T187-K243 HydrophobicContact CG2-CD 4.32Å; T187-K243 HydrophobicContact CG2-CG 4.02Å
188Y87Confident81Confident39 Ų3951.1 Ų51.115%0.15325%0.247CC..EExtended strand (participates in β ladder)trans-166.5172172.474.9-74.2000110.8F186 T190 K208 E241F186-Y188 WeakPolarHBondContact CE2-O 3.3Å; Y188-T190 HydrophobicContact CD2-CG2 4.41Å; Y188-T190 HydrophobicContact CE2-CG2 3.78Å; Y188-K208 HydrophobicContact CD1-CD 4.09Å; Y188-K208 HydrophobicContact CD1-CG 3.39Å; Y188-K208 HydrophobicContact CE1-CD 3.99Å; Y188-K208 HydrophobicContact CE1-CG 3.83Å; Y188-K208 HydrophobicContact CG-CG 3.96Å; Y188-K208 VanDerWaalsContact CZ-CE 3.43Å; Y188-E241 HydrophobicContact CD1-CB 3.74Å; Y188-E241 HydrophobicContact CD1-CG 4.39Å; Y188-E241 HydrophobicContact CE1-CB 3.51Å; Y188-E241 HydrophobicContact CE1-CG 4Å; Y188-E241 VanDerWaalsContact CE1-OE1 3.3Å; Y188-E241 WeakPolarHBondContact CE1-OE1 3.28Å; Y188-E241 WeakPolarHBondContact CE1-OE2 3.46Å; Y188-E241 PolarHBondContact O-N 2.82Å
189Y86.3Confident80.6Confident29 Ų2953.8 Ų53.811%0.11427%0.266CS..EExtended strand (participates in β ladder)trans-138.3150.5168.565.7-74.3000110F186 L200 D202 V206 I222 A239 F240F186-Y189 HydrophobicContact CE1-CD1 4.14Å; F186-Y189 HydrophobicContact CE2-CD1 4.4Å; F186-Y189 AromaticContact CZ-CD1 3.51Å; F186-Y189 HydrophobicContact CZ-CD1 3.51Å; F186-Y189 HydrophobicContact CZ-CE1 4.45Å; F186-Y189 AromaticContact CZ-CG 3.98Å; F186-Y189 HydrophobicContact CZ-CG 3.98Å; Y189-L200 HydrophobicContact CD2-CD1 4.09Å; Y189-L200 HydrophobicContact CE2-CB 3.95Å; Y189-L200 HydrophobicContact CE2-CD1 3.79Å; Y189-L200 HydrophobicContact CE2-CG 4.37Å; Y189-D202 WeakPolarHBondContact CE1-OD2 3.49Å; Y189-D202 PolarHBondContact OH-OD2 3.04Å; Y189-V206 HydrophobicContact CE1-CB 4.48Å; Y189-I222 HydrophobicContact CD1-CD1 4.03Å; Y189-I222 HydrophobicContact CD2-CD1 4.32Å; Y189-I222 HydrophobicContact CD2-CG2 4.49Å; Y189-I222 HydrophobicContact CE1-CD1 4.03Å; Y189-I222 HydrophobicContact CE1-CG1 4.41Å; Y189-I222 HydrophobicContact CE2-CD1 4.3Å; Y189-I222 HydrophobicContact CE2-CG2 3.69Å; Y189-I222 HydrophobicContact CG-CD1 4.19Å; Y189-A239 CarbonylContact C-O 3.51Å; Y189-A239 WeakPolarHBondContact CA-O 3.33Å; Y189-A239 WeakPolarHBondContact CB-O 3.28Å; Y189-F240 HydrophobicContact CD2-CE1 4.33Å; Y189-F240 HydrophobicContact CG-CD1 4.28Å; Y189-F240 HydrophobicContact CG-CE1 4.21Å
190T77.9Confident80.4Confident28 Ų2851.4 Ų51.417%0.17225%0.25CC..EExtended strand (participates in β ladder)trans-149.3145.3179.1-174.70000110.6Y188 A239Y188-T190 HydrophobicContact CD2-CG2 4.41Å; Y188-T190 HydrophobicContact CE2-CG2 3.78Å; T190-A239 PolarHBondContact N-O 3.47Å; T190-A239 PolarHBondContact O-N 3.07Å
191P71.7Confident80.5Confident9 Ų953 Ų536%0.05826%0.26CS..EExtended strand (participates in β ladder)trans-64.1137.6158.629.9-32.6000109H193 W194 L200 T237 L238P191-H193 WeakPolarHBondContact CB-O 3.49Å; P191-W194 HydrophobicContact CG-CD2 4.31Å; P191-W194 HydrophobicContact CG-CG 4.28Å; P191-L200 HydrophobicContact CG-CD1 4.44Å; P191-T237 CarbonylContact C-O 3.02Å; P191-T237 WeakPolarHBondContact CA-O 3.15Å; P191-L238 HydrophobicContact CB-CD2 3.86Å
192L66.1Low80.7Confident19 Ų1948.4 Ų48.410%0.09923%0.228CC..SBendtrans-71.8-26.3172.9-62.4-174.9000111.3T237 A239 L986 L989L192-T237 HydrophobicContact CD1-CG2 3.5Å; L192-T237 HydrophobicContact CG-CG2 4.14Å; L192-T237 PolarHBondContact N-O 3.17Å; L192-A239 HydrophobicContact CD2-CB 3.71Å; L192-A239 HydrophobicContact CG-CB 4.25Å; L192-L986 HydrophobicContact CD1-CD2 3.95Å; L192-L986 HydrophobicContact CD2-CD2 4.38Å; L192-L989 HydrophobicContact CD2-CD1 3.44Å; L192-L989 VanDerWaalsContact CD2-CD1 3.44Å
193H64.5Low80.7Confident45 Ų4550 Ų5021%0.20824%0.235CC..SBendtrans-138.3130173.357.2-83000109.6P191 L195 P235 A236 T237P191-H193 WeakPolarHBondContact CB-O 3.49Å; H193-L195 PolarHBondContact O-N 3.46Å; H193-P235 PolarHBondContact NE2-O 2.76Å; H193-A236 WeakPolarHBondContact NE2-CA 3.46Å; H193-T237 PolarHBondContact CE1-N 3.43Å
194W61.2Low80.4Confident126 Ų12654.1 Ų54.148%0.47725%0.248SC..  trans-77.6120.8178-101.698.1000110.5P191 L198 E977P191-W194 HydrophobicContact CG-CD2 4.31Å; P191-W194 HydrophobicContact CG-CG 4.28Å; W194-L198 WeakPolarHBondContact CZ3-O 3.34Å; W194-E977 WeakPolarHBondContact CB-OE1 3.36Å
195L66.9Low79.9Confident21 Ų2157.4 Ų57.411%0.1127%0.272CS..  trans-95.9128.5165.9-63.9180000108.3H193 Y197 L198 F226 F234 A236H193-L195 PolarHBondContact O-N 3.46Å; L195-Y197 PolarHBondContact O-N 2.85Å; L195-L198 HydrophobicContact CB-CB 3.91Å; L195-L198 PolarHBondContact O-N 2.7Å; L195-F226 HydrophobicContact CD1-CE2 4.4Å; L195-F234 HydrophobicContact CD1-CB 4.12Å; L195-A236 HydrophobicContact CD1-CB 3.85Å
196R70.8Confident79.6Confident211 Ų21154.8 Ų54.880%0.79626%0.262SS*.THydrogen-bonded Turntrans-53.6-23.3173.2-173.4176177.8-177.30.5113.4
197Y78.6Confident79.3Confident40 Ų4058 Ų5816%0.15728%0.282CS..THydrogen-bonded Turntrans-96.1-6.5-175.9-47.8-60.9000113.8L195 F226 R227 C228 L230 F234 F972L195-Y197 PolarHBondContact O-N 2.85Å; Y197-F226 CarbonylContact O-C 3.58Å; Y197-F226 VanDerWaalsContact O-CA 3.32Å; Y197-F226 WeakPolarHBondContact O-CA 3.35Å; Y197-R227 WeakPolarHBondContact CB-O 3.44Å; Y197-R227 WeakPolarHBondContact CD1-O 3.23Å; Y197-R227 PolarHBondContact O-N 3.45Å; Y197-C228 HydrophobicContact CD1-CB 4.21Å; Y197-C228 HydrophobicContact CG-CB 4.07Å; Y197-L230 HydrophobicContact CE2-CD1 4.48Å; Y197-L230 VanDerWaalsContact OH-CD1 3.29Å; Y197-L230 WeakPolarHBondContact OH-CD1 3.4Å; Y197-F234 HydrophobicContact CD2-CD1 4.19Å; Y197-F234 HydrophobicContact CD2-CE1 4.14Å; Y197-F234 HydrophobicContact CE2-CD1 4.45Å; Y197-F234 HydrophobicContact CE2-CE1 4.03Å; Y197-F972 HydrophobicContact CE2-CD2 4.5Å
198L81.1Confident78.9Confident7 Ų762.9 Ų62.94%0.03730%0.303CS..EExtended strand (participates in β ladder)trans-108.2129.2-179.7-172.777.6000109.8W194 L195 V224 F226 A236 L238W194-L198 WeakPolarHBondContact CZ3-O 3.34Å; L195-L198 HydrophobicContact CB-CB 3.91Å; L195-L198 PolarHBondContact O-N 2.7Å; L198-V224 HydrophobicContact CD1-CG1 3.49Å; L198-V224 VanDerWaalsContact CD1-CG1 3.49Å; L198-F226 HydrophobicContact CB-CD2 4.41Å; L198-F226 HydrophobicContact CD1-CD2 4.06Å; L198-A236 HydrophobicContact CD2-CB 3.65Å; L198-L238 HydrophobicContact CD2-CD2 4.4Å
199S83.9Confident78.6Confident57 Ų5772.7 Ų72.740%0.39934%0.339SS..EExtended strand (participates in β ladder)trans-129.7140.5171.253.80000110.1R225S199-R225 PolarHBondContact N-O 2.86Å; S199-R225 PolarHBondContact O-N 3.48Å; S199-R225 WeakPolarHBondContact OG-CB 3.35Å; S199-R225 PolarHBondContact OG-O 3.37Å
200L86.3Confident78.5Confident41 Ų4174.4 Ų74.422%0.21536%0.356CS..EExtended strand (participates in β ladder)trans-117.1137.6-179.3-55.6171.1000108.7Y189 P191 E223 V224 L238Y189-L200 HydrophobicContact CD2-CD1 4.09Å; Y189-L200 HydrophobicContact CE2-CB 3.95Å; Y189-L200 HydrophobicContact CE2-CD1 3.79Å; Y189-L200 HydrophobicContact CE2-CG 4.37Å; P191-L200 HydrophobicContact CG-CD1 4.44Å; L200-E223 WeakPolarHBondContact CA-O 3.2Å; L200-V224 HydrophobicContact CD2-CB 4.2Å; L200-V224 HydrophobicContact CD2-CG1 3.97Å; L200-V224 HydrophobicContact CD2-CG2 3.74Å; L200-L238 HydrophobicContact CD1-CD1 4.5Å; L200-L238 HydrophobicContact CD1-CD2 3.67Å; L200-L238 HydrophobicContact CD2-CD1 4.04Å; L200-L238 HydrophobicContact CD2-CD2 4.33Å
201S86.7Confident79Confident44 Ų4475 Ų7531%0.30836%0.36SS..EExtended strand (participates in β ladder)trans-144.7140.8174.953.40000111.4E223S201-E223 PolarHBondContact N-O 3.43Å; S201-E223 PolarHBondContact O-N 2.8Å
202D88.1Confident80Confident27 Ų2775.4 Ų75.414%0.14436%0.362CS..  trans-142.3153.3176.871.897.8000110.5Y189 K204 S205 V206 Y220 I222Y189-D202 WeakPolarHBondContact CE1-OD2 3.49Å; Y189-D202 PolarHBondContact OH-OD2 3.04Å; D202-K204 PolarHBondContact O-N 2.95Å; D202-K204 PolarHBondContact OD1-N 3.04Å; D202-S205 VanDerWaalsContact OD1-CA 3.22Å; D202-S205 WeakPolarHBondContact OD1-CA 3.44Å; D202-S205 PolarHBondContact OD1-N 2.97Å; D202-V206 PolarHBondContact OD1-N 2.85Å; D202-Y220 HydrophobicContact CB-CE1 3.9Å; D202-Y220 WeakPolarHBondContact CB-OH 3.44Å; D202-Y220 PolarHBondContact OD1-OH 3.41Å; D202-I222 HydrophobicContact CB-CG1 4.15Å
203E86.3Confident81.2Confident188 Ų18878.7 Ų78.788%0.87938%0.375SS*.THydrogen-bonded Turntrans-64.7-35.9-171.9-76.5-172.1154.500113.7Y220E203-Y220 PolarHBondContact N-OH 3.11Å
204K82.8Confident82.4Confident127 Ų12776.7 Ų76.755%0.55237%0.366SS*.THydrogen-bonded Turntrans-100.70.6-173-61.1-177.9176.3178.60114D202 V206 L212 Y220D202-K204 PolarHBondContact O-N 2.95Å; D202-K204 PolarHBondContact OD1-N 3.04Å; K204-V206 PolarHBondContact O-N 3.5Å; K204-L212 HydrophobicContact CD-CD1 3.65Å; K204-Y220 HydrophobicContact CB-CE2 4.31Å; K204-Y220 WeakPolarHBondContact CB-OH 3.21Å; K204-Y220 HydrophobicContact CD-CE2 4.04Å; K204-Y220 HydrophobicContact CG-CE2 4.11Å; K204-Y220 PolarHBondContact N-OH 2.93Å
205S82.8Confident83.9Confident78 Ų7873.9 Ų73.955%0.54536%0.361SS..  trans46.759.7-177.9-61.70000112.6D202 T207D202-S205 VanDerWaalsContact OD1-CA 3.22Å; D202-S205 WeakPolarHBondContact OD1-CA 3.44Å; D202-S205 PolarHBondContact OD1-N 2.97Å; S205-T207 PolarHBondContact O-N 2.92Å
206V84.8Confident85Confident7 Ų776 Ų764%0.04238%0.375CS..  trans-60.7121-174.7-175.70000111F186 Y189 D202 K204 L212 Y220F186-V206 HydrophobicContact CD1-CB 4.38Å; F186-V206 HydrophobicContact CD1-CG1 3.87Å; F186-V206 HydrophobicContact CD1-CG2 4.17Å; F186-V206 HydrophobicContact CE1-CB 4.19Å; F186-V206 HydrophobicContact CE1-CG1 4.04Å; F186-V206 HydrophobicContact CE1-CG2 4.15Å; F186-V206 HydrophobicContact CG-CG1 4.24Å; F186-V206 VanDerWaalsContact O-CG1 3.24Å; F186-V206 WeakPolarHBondContact O-CG1 3.3Å; Y189-V206 HydrophobicContact CE1-CB 4.48Å; D202-V206 PolarHBondContact OD1-N 2.85Å; K204-V206 PolarHBondContact O-N 3.5Å; V206-L212 HydrophobicContact CG1-CB 4.23Å; V206-L212 HydrophobicContact CG2-CB 3.87Å; V206-L212 HydrophobicContact CG2-CD2 4.28Å; V206-Y220 HydrophobicContact CG2-CE1 3.69Å
207T84Confident85.8Confident67 Ų6768.3 Ų68.341%0.41136%0.362SS..BIsolated β-bridgetrans-142.8163.6179.859.10000110.8T187 S205 R209 S210T187-T207 CarbonylContact O-C 3.56Å; T187-T207 WeakPolarHBondContact O-CA 3.42Å; S205-T207 PolarHBondContact O-N 2.92Å; T207-R209 PolarHBondContact O-N 3.1Å; T207-S210 PolarHBondContact N-O 3.42Å; T207-S210 CarbonylContact O-C 3.47Å; T207-S210 WeakPolarHBondContact O-CA 3.38Å; T207-S210 PolarHBondContact O-N 3.14Å; T207-S210 PolarHBondContact OG1-N 2.88Å
208K80.1Confident86.4Confident111 Ų11169.4 Ų69.448%0.48337%0.37SS..THydrogen-bonded Turntrans-51.9-25.3175.7-71.1-171.6176.5-177.90113.1T187 Y188 E988T187-K208 PolarHBondContact O-N 3.41Å; Y188-K208 HydrophobicContact CD1-CD 4.09Å; Y188-K208 HydrophobicContact CD1-CG 3.39Å; Y188-K208 HydrophobicContact CE1-CD 3.99Å; Y188-K208 HydrophobicContact CE1-CG 3.83Å; Y188-K208 HydrophobicContact CG-CG 3.96Å; Y188-K208 VanDerWaalsContact CZ-CE 3.43Å; K208-E988 IonicContact NZ-OE1 2.69Å; K208-E988 PolarHBondContact NZ-OE1 2.77Å
209R79.9Confident86.8Confident244 Ų24472.2 Ų72.292%0.92139%0.391SS*.THydrogen-bonded Turntrans-87.6-17.8177.1-63.3-177.5-178.6-179.30.9113.9T207T207-R209 PolarHBondContact O-N 3.1Å
210S85Confident87.2Confident66 Ų6670.3 Ų70.346%0.46238%0.375SS..BIsolated β-bridgetrans-139.170179.7-175.60000110.1T207T207-S210 PolarHBondContact N-O 3.42Å; T207-S210 CarbonylContact O-C 3.47Å; T207-S210 WeakPolarHBondContact O-CA 3.38Å; T207-S210 PolarHBondContact O-N 3.14Å; T207-S210 PolarHBondContact OG1-N 2.88Å
211P87.9Confident87.5Confident40 Ų4072.2 Ų72.226%0.2638%0.383SS..PPolyproline II helixtrans-70.6145.418030.1-35.6000111.3Y185 F186 T187 L246Y185-P211 HydrophobicContact CD1-CB 4.45Å; F186-P211 CarbonylContact O-C 3.54Å; F186-P211 WeakPolarHBondContact O-CA 3.34Å; T187-P211 HydrophobicContact CG2-CB 4.35Å; P211-L246 HydrophobicContact CB-CD2 4.22Å; P211-L246 HydrophobicContact CG-CD1 4.09Å; P211-L246 HydrophobicContact CG-CD2 3.86Å
212L91.2Very high87.7Confident18 Ų1870.1 Ų70.19%0.09437%0.368CS..EExtended strand (participates in β ladder)trans-93.9125.2177.8178.966.6000110.7Y185 F186 K204 V206 L214 Y220Y185-L212 CarbonylContact C-O 3.59Å; Y185-L212 WeakPolarHBondContact CA-O 3.24Å; F186-L212 HydrophobicContact CB-CB 4.31Å; F186-L212 HydrophobicContact CD1-CB 4.42Å; F186-L212 HydrophobicContact CD1-CD2 4.3Å; F186-L212 PolarHBondContact N-O 3.31Å; F186-L212 PolarHBondContact O-N 3.23Å; K204-L212 HydrophobicContact CD-CD1 3.65Å; V206-L212 HydrophobicContact CG1-CB 4.23Å; V206-L212 HydrophobicContact CG2-CB 3.87Å; V206-L212 HydrophobicContact CG2-CD2 4.28Å; L212-L214 HydrophobicContact CD2-CD2 3.78Å; L212-L214 HydrophobicContact CD2-CG 4.41Å; L212-L214 HydrophobicContact CG-CD2 4.09Å; L212-L214 HydrophobicContact CG-CG 4.41Å; L212-Y220 HydrophobicContact CD2-CD1 3.74Å; L212-Y220 HydrophobicContact CD2-CD2 3.37Å; L212-Y220 HydrophobicContact CD2-CE1 4.12Å; L212-Y220 HydrophobicContact CD2-CE2 3.81Å; L212-Y220 HydrophobicContact CD2-CG 3.32Å
213F91.5Very high87.8Confident87 Ų8771 Ų7138%0.38237%0.372SS..EExtended strand (participates in β ladder)trans-83.1124.8173.2-169.7-116.5000110.8Y185 N215Y185-F213 HydrophobicContact CD1-CB 4.22Å; Y185-F213 AromaticContact CD1-CD2 3.82Å; Y185-F213 HydrophobicContact CD1-CD2 3.82Å; Y185-F213 HydrophobicContact CD2-CD2 4Å; Y185-F213 HydrophobicContact CD2-CE2 4.28Å; Y185-F213 HydrophobicContact CE1-CB 4.01Å; Y185-F213 AromaticContact CE1-CD2 3.43Å; Y185-F213 HydrophobicContact CE1-CD2 3.43Å; Y185-F213 VanDerWaalsContact CE1-CD2 3.43Å; Y185-F213 HydrophobicContact CE1-CE2 4.24Å; Y185-F213 HydrophobicContact CE1-CG 4.08Å; Y185-F213 AromaticContact CE2-CD2 3.63Å; Y185-F213 HydrophobicContact CE2-CD2 3.63Å; Y185-F213 AromaticContact CE2-CE2 3.68Å; Y185-F213 HydrophobicContact CE2-CE2 3.68Å; Y185-F213 HydrophobicContact CG-CD2 4.09Å; Y185-F213 AromaticContact CZ-CD2 3.33Å; Y185-F213 AromaticContact CZ-CE2 3.66Å; F213-N215 WeakPolarHBondContact CE1-OD1 3.4Å
214L91.6Very high87.8Confident4 Ų462.1 Ų62.12%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-116.3110.1-178.2-65.9175.6000110.5V176 N178 S183 V184 F186 L212 D218 F242V176-L214 HydrophobicContact CG1-CD1 4.07Å; N178-L214 HydrophobicContact CB-CB 4.31Å; N178-L214 PolarHBondContact ND2-O 2.98Å; S183-L214 VanDerWaalsContact CA-O 3.28Å; S183-L214 WeakPolarHBondContact CA-O 3.31Å; V184-L214 HydrophobicContact CG1-CB 4.12Å; V184-L214 HydrophobicContact CG1-CD1 4.35Å; V184-L214 PolarHBondContact N-O 3.49Å; V184-L214 PolarHBondContact O-N 2.94Å; F186-L214 HydrophobicContact CB-CD1 3.78Å; F186-L214 HydrophobicContact CB-CG 4.34Å; L212-L214 HydrophobicContact CD2-CD2 3.78Å; L212-L214 HydrophobicContact CD2-CG 4.41Å; L212-L214 HydrophobicContact CG-CD2 4.09Å; L212-L214 HydrophobicContact CG-CG 4.41Å; L214-D218 HydrophobicContact CD2-CB 4.19Å; L214-F242 HydrophobicContact CD1-CE1 4.44Å
215N91.8Very high88Confident67 Ų6760.9 Ų60.936%0.35832%0.322SS..  trans-76.7161.5173.5-60.2-69.2000111.9N178 S183 F213 G217 D218N178-N215 WeakPolarHBondContact CB-O 3.48Å; S183-N215 PolarHBondContact OG-OD1 2.89Å; F213-N215 WeakPolarHBondContact CE1-OD1 3.4Å; N215-G217 PolarHBondContact O-N 2.89Å; N215-G217 VanDerWaalsContact O-N 3.15Å; N215-D218 WeakPolarHBondContact CA-OD2 3.42Å; N215-D218 VanDerWaalsContact CB-OD2 3.27Å; N215-D218 WeakPolarHBondContact CB-OD2 3.47Å; N215-D218 PolarHBondContact N-OD2 2.68Å; N215-D218 PolarHBondContact ND2-OD2 3.32Å; N215-D218 VanDerWaalsContact ND2-OD2 3.13Å; N215-D218 VanDerWaalsContact O-CB 3.29Å; N215-D218 WeakPolarHBondContact O-CB 3.48Å; N215-D218 PolarHBondContact O-N 2.83Å
216P90.9Very high88.1Confident64 Ų6457.3 Ų57.342%0.41630%0.297SS..THydrogen-bonded Turntrans-50.4120.6170.1-30.538.1000112G180 S183G180-P216 WeakPolarHBondContact O-CB 3.25Å; S183-P216 WeakPolarHBondContact OG-CD 3.49Å
217G86.3Confident88Confident50 Ų5064.6 Ų64.652%0.51532%0.323SS..THydrogen-bonded Turntrans95.5-15.8-177.600000115.4N178 N215N178-G217 WeakPolarHBondContact O-CA 3.47Å; N178-G217 PolarHBondContact O-N 3.02Å; N215-G217 PolarHBondContact O-N 2.89Å; N215-G217 VanDerWaalsContact O-N 3.15Å
218D91.5Very high87.8Confident63 Ų6361.8 Ų61.834%0.33731%0.306SS..  trans-66145.8178.8-71.3-11.6000111.2K177 N178 L214 N215K177-D218 WeakPolarHBondContact CA-O 3.48Å; N178-D218 PolarHBondContact N-O 3.34Å; L214-D218 HydrophobicContact CD2-CB 4.19Å; N215-D218 WeakPolarHBondContact CA-OD2 3.42Å; N215-D218 VanDerWaalsContact CB-OD2 3.27Å; N215-D218 WeakPolarHBondContact CB-OD2 3.47Å; N215-D218 PolarHBondContact N-OD2 2.68Å; N215-D218 PolarHBondContact ND2-OD2 3.32Å; N215-D218 VanDerWaalsContact ND2-OD2 3.13Å; N215-D218 VanDerWaalsContact O-CB 3.29Å; N215-D218 WeakPolarHBondContact O-CB 3.48Å; N215-D218 PolarHBondContact O-N 2.83Å
219S90Very high87.8Confident67 Ų6763.9 Ų63.947%0.46932%0.318SS..EExtended strand (participates in β ladder)trans-133138.8176.6-168.90000109.5V176V176-S219 CarbonylContact O-C 3.59Å; V176-S219 WeakPolarHBondContact O-CA 3.4Å
220Y92.1Very high87.9Confident17 Ų1754.3 Ų54.37%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-127.5132.2-179.9-172.6-110.4000111.2N175 V176 F186 D202 E203 K204 V206 L212 I222N175-Y220 WeakPolarHBondContact CA-O 3.35Å; V176-Y220 PolarHBondContact N-O 2.68Å; V176-Y220 PolarHBondContact O-N 3.27Å; F186-Y220 HydrophobicContact CD1-CD1 4.27Å; F186-Y220 HydrophobicContact CE1-CD1 4.04Å; F186-Y220 HydrophobicContact CE1-CE1 4.32Å; D202-Y220 HydrophobicContact CB-CE1 3.9Å; D202-Y220 WeakPolarHBondContact CB-OH 3.44Å; D202-Y220 PolarHBondContact OD1-OH 3.41Å; E203-Y220 PolarHBondContact N-OH 3.11Å; K204-Y220 HydrophobicContact CB-CE2 4.31Å; K204-Y220 WeakPolarHBondContact CB-OH 3.21Å; K204-Y220 HydrophobicContact CD-CE2 4.04Å; K204-Y220 HydrophobicContact CG-CE2 4.11Å; K204-Y220 PolarHBondContact N-OH 2.93Å; V206-Y220 HydrophobicContact CG2-CE1 3.69Å; L212-Y220 HydrophobicContact CD2-CD1 3.74Å; L212-Y220 HydrophobicContact CD2-CD2 3.37Å; L212-Y220 HydrophobicContact CD2-CE1 4.12Å; L212-Y220 HydrophobicContact CD2-CE2 3.81Å; L212-Y220 HydrophobicContact CD2-CG 3.32Å; Y220-I222 HydrophobicContact CD1-CG1 4.07Å; Y220-I222 HydrophobicContact CE1-CG1 4.01Å
221E91.6Very high87.8Confident81 Ų8152.7 Ų52.738%0.37927%0.272SS..EExtended strand (participates in β ladder)trans-98.5134.1-175.2-163.7-175.8101.400111.1K173 L174K173-E221 HydrophobicContact CB-CG 3.87Å; K173-E221 WeakPolarHBondContact CD-OE1 3.21Å; K173-E221 WeakPolarHBondContact CD-OE2 3.36Å; K173-E221 WeakPolarHBondContact CE-OE1 3.3Å; K173-E221 HydrophobicContact CG-CG 4.12Å; K173-E221 WeakPolarHBondContact CG-OE1 3.23Å; K173-E221 IonicContact NZ-OE1 2.72Å; K173-E221 PolarHBondContact NZ-OE1 3.08Å; K173-E221 IonicContact NZ-OE2 2.65Å; K173-E221 PolarHBondContact NZ-OE2 3.03Å; L174-E221 CarbonylContact O-C 3.59Å; L174-E221 WeakPolarHBondContact O-CA 3.12Å
222I91.3Very high87.5Confident0 Ų051.1 Ų51.10%026%0.263CS..EExtended strand (participates in β ladder)trans-123.5123.9172.7-61.8165000107.6L174 V176 F186 Y189 D202 Y220 F240L174-I222 HydrophobicContact CB-CB 4.36Å; L174-I222 PolarHBondContact N-O 2.96Å; L174-I222 PolarHBondContact O-N 3.12Å; V176-I222 HydrophobicContact CG2-CD1 3.97Å; F186-I222 HydrophobicContact CE1-CD1 3.94Å; F186-I222 HydrophobicContact CZ-CD1 3.9Å; Y189-I222 HydrophobicContact CD1-CD1 4.03Å; Y189-I222 HydrophobicContact CD2-CD1 4.32Å; Y189-I222 HydrophobicContact CD2-CG2 4.49Å; Y189-I222 HydrophobicContact CE1-CD1 4.03Å; Y189-I222 HydrophobicContact CE1-CG1 4.41Å; Y189-I222 HydrophobicContact CE2-CD1 4.3Å; Y189-I222 HydrophobicContact CE2-CG2 3.69Å; Y189-I222 HydrophobicContact CG-CD1 4.19Å; D202-I222 HydrophobicContact CB-CG1 4.15Å; Y220-I222 HydrophobicContact CD1-CG1 4.07Å; Y220-I222 HydrophobicContact CE1-CG1 4.01Å; I222-F240 HydrophobicContact CD1-CD1 4.36Å; I222-F240 HydrophobicContact CD1-CE1 3.71Å
223E89.9Confident86.9Confident46 Ų4651.6 Ų51.622%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-88.4123.5179-165.7-176.1159.600110.3V171 L200 S201 R225V171-E223 HydrophobicContact CG1-CG 3.58Å; V171-E223 WeakPolarHBondContact CG1-OE1 3.43Å; L200-E223 WeakPolarHBondContact CA-O 3.2Å; S201-E223 PolarHBondContact N-O 3.43Å; S201-E223 PolarHBondContact O-N 2.8Å; E223-R225 HydrophobicContact CG-CG 4.26Å; E223-R225 IonicContact OE1-CZ 3.72Å; E223-R225 VanDerWaalsContact OE1-CZ 3.22Å; E223-R225 IonicContact OE1-NE 2.98Å; E223-R225 PolarHBondContact OE1-NE 2.95Å; E223-R225 IonicContact OE1-NH2 3.17Å; E223-R225 PolarHBondContact OE1-NH2 3.48Å; E223-R225 IonicContact OE2-CZ 2.92Å; E223-R225 IonicContact OE2-NE 3.97Å; E223-R225 IonicContact OE2-NH2 2.55Å; E223-R225 PolarHBondContact OE2-NH2 3.22Å
224V87.6Confident86.3Confident1 Ų147.6 Ų47.61%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-105.6114.8175.1-1750000108.4V171 V172 L174 L198 L200 I259V171-V224 WeakPolarHBondContact CA-O 2.91Å; V172-V224 PolarHBondContact N-O 2.86Å; V172-V224 WeakPolarHBondContact O-CA 3.49Å; V172-V224 WeakPolarHBondContact O-CB 3.12Å; V172-V224 PolarHBondContact O-N 2.69Å; L174-V224 HydrophobicContact CD1-CG2 3.59Å; L174-V224 HydrophobicContact CG-CG2 3.68Å; L198-V224 HydrophobicContact CD1-CG1 3.49Å; L198-V224 VanDerWaalsContact CD1-CG1 3.49Å; L200-V224 HydrophobicContact CD2-CB 4.2Å; L200-V224 HydrophobicContact CD2-CG1 3.97Å; L200-V224 HydrophobicContact CD2-CG2 3.74Å; V224-I259 HydrophobicContact CG1-CD1 3.92Å; V224-I259 HydrophobicContact CG2-CD1 4.15Å
225R87.1Confident85.4Confident101 Ų10149.9 Ų49.938%0.38126%0.262SS..EExtended strand (participates in β ladder)trans-109.1125175.8-59.3-175.4-179.4141.411.2110.1L169 V171 S199 E223L169-R225 HydrophobicContact CD1-CB 4.46Å; V171-R225 HydrophobicContact CG1-CG 4.18Å; V171-R225 HydrophobicContact CG2-CG 4Å; S199-R225 PolarHBondContact N-O 2.86Å; S199-R225 PolarHBondContact O-N 3.48Å; S199-R225 WeakPolarHBondContact OG-CB 3.35Å; S199-R225 PolarHBondContact OG-O 3.37Å; E223-R225 HydrophobicContact CG-CG 4.26Å; E223-R225 IonicContact OE1-CZ 3.72Å; E223-R225 VanDerWaalsContact OE1-CZ 3.22Å; E223-R225 IonicContact OE1-NE 2.98Å; E223-R225 PolarHBondContact OE1-NE 2.95Å; E223-R225 IonicContact OE1-NH2 3.17Å; E223-R225 PolarHBondContact OE1-NH2 3.48Å; E223-R225 IonicContact OE2-CZ 2.92Å; E223-R225 IonicContact OE2-NE 3.97Å; E223-R225 IonicContact OE2-NH2 2.55Å; E223-R225 PolarHBondContact OE2-NH2 3.22Å
226F84.1Confident84.6Confident3 Ų346.7 Ų46.71%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-115.1116.8176.5-169.8-92000110.6V165 L169 E170 L195 Y197 L198 C228 F234 A261V165-F226 HydrophobicContact CG1-CD1 4.44Å; V165-F226 HydrophobicContact CG2-CD1 3.82Å; V165-F226 HydrophobicContact CG2-CE1 4.31Å; L169-F226 CarbonylContact C-O 3.46Å; L169-F226 WeakPolarHBondContact CA-O 3.42Å; E170-F226 PolarHBondContact N-O 2.94Å; E170-F226 PolarHBondContact O-N 3.29Å; L195-F226 HydrophobicContact CD1-CE2 4.4Å; Y197-F226 CarbonylContact O-C 3.58Å; Y197-F226 VanDerWaalsContact O-CA 3.32Å; Y197-F226 WeakPolarHBondContact O-CA 3.35Å; L198-F226 HydrophobicContact CB-CD2 4.41Å; L198-F226 HydrophobicContact CD1-CD2 4.06Å; F226-C228 HydrophobicContact CD1-CB 4.27Å; F226-C228 HydrophobicContact CE1-CB 3.44Å; F226-C228 VanDerWaalsContact CE1-CB 3.44Å; F226-C228 HydrophobicContact CZ-CB 3.9Å; F226-F234 HydrophobicContact CE1-CD2 4.26Å; F226-F234 HydrophobicContact CE2-CB 3.89Å; F226-F234 HydrophobicContact CE2-CG 4.42Å; F226-F234 HydrophobicContact CZ-CB 3.63Å; F226-F234 AromaticContact CZ-CD2 3.66Å; F226-F234 HydrophobicContact CZ-CD2 3.66Å; F226-F234 AromaticContact CZ-CG 3.75Å; F226-F234 HydrophobicContact CZ-CG 3.75Å; F226-A261 HydrophobicContact CD1-CB 3.76Å; F226-A261 HydrophobicContact CD2-CB 3.8Å; F226-A261 HydrophobicContact CE1-CB 3.61Å; F226-A261 HydrophobicContact CE2-CB 3.66Å; F226-A261 HydrophobicContact CG-CB 3.84Å; F226-A261 HydrophobicContact CZ-CB 3.57Å
227R83.3Confident83.8Confident159 Ų15945 Ų4560%0.623%0.233SC*.EExtended strand (participates in β ladder)trans-124.2108.1-178.5-168.4-174174.5164.2-2.5111T168 L169 Y197T168-R227 CarbonylContact O-C 3.53Å; T168-R227 VanDerWaalsContact O-CA 3.23Å; T168-R227 WeakPolarHBondContact O-CA 3.42Å; T168-R227 WeakPolarHBondContact O-CG 3.38Å; L169-R227 HydrophobicContact CD1-CB 3.83Å; L169-R227 HydrophobicContact CD1-CG 4.24Å; Y197-R227 WeakPolarHBondContact CB-O 3.44Å; Y197-R227 WeakPolarHBondContact CD1-O 3.23Å; Y197-R227 PolarHBondContact O-N 3.45Å
228C79.4Confident83.5Confident8 Ų842.6 Ų42.65%0.05421%0.209CC..  trans-143.5135.7-178.4-166.60000111.7T168 Y197 F226 L230T168-C228 PolarHBondContact O-N 3Å; T168-C228 VanDerWaalsContact O-N 3.16Å; Y197-C228 HydrophobicContact CD1-CB 4.21Å; Y197-C228 HydrophobicContact CG-CB 4.07Å; F226-C228 HydrophobicContact CD1-CB 4.27Å; F226-C228 HydrophobicContact CE1-CB 3.44Å; F226-C228 VanDerWaalsContact CE1-CB 3.44Å; F226-C228 HydrophobicContact CZ-CB 3.9Å; C228-L230 PolarHBondContact SG-N 3.2Å; C228-L230 VanDerWaalsContact SG-N 3.37Å; C228-L230 PolarHBondContact SG-O 2.8Å
229E79.3Confident82.9Confident155 Ų15539.8 Ų39.872%0.72419%0.194SC*.  trans-101.1-6.4173.3-65.7178.3-173.400112.1T168T168-E229 HydrophobicContact CG2-CG 3.94Å
230L82.4Confident82.8Confident44 Ų4436.6 Ų36.623%0.2317%0.172CC..SBendtrans-89.6138179.4-57178.4000110.4Y197 C228 F234 C263 F972Y197-L230 HydrophobicContact CE2-CD1 4.48Å; Y197-L230 VanDerWaalsContact OH-CD1 3.29Å; Y197-L230 WeakPolarHBondContact OH-CD1 3.4Å; C228-L230 PolarHBondContact SG-N 3.2Å; C228-L230 VanDerWaalsContact SG-N 3.37Å; C228-L230 PolarHBondContact SG-O 2.8Å; L230-F234 HydrophobicContact CB-CZ 4.16Å; L230-C263 WeakPolarHBondContact O-CB 3.45Å; L230-F972 HydrophobicContact CD1-CB 4.41Å
231V83.3Confident82.6Confident32 Ų3236.6 Ų36.619%0.19417%0.173CC..  trans-72.6133.6169177.60000109.1C263 T265 A824 E827V231-C263 WeakPolarHBondContact CA-O 2.82Å; V231-C263 WeakPolarHBondContact CG1-O 3.45Å; V231-T265 HydrophobicContact CG2-CG2 3.8Å; V231-A824 HydrophobicContact CG1-CB 3.92Å; V231-E827 HydrophobicContact CG1-CB 4.11Å; V231-E827 HydrophobicContact CG1-CG 4.5Å; V231-E827 WeakPolarHBondContact CG1-OE2 3.34Å
232G81.9Confident82.5Confident6 Ų632.8 Ų32.86%0.06216%0.155CC..EExtended strand (participates in β ladder)trans160.8-174.5-178.500000114.8C263 A808G232-C263 PolarHBondContact N-O 3.34Å; G232-C263 PolarHBondContact O-N 3.44Å; G232-A808 CarbonylContact C-O 3.46Å; G232-A808 WeakPolarHBondContact CA-O 3.31Å
233F78Confident82.4Confident28 Ų2834.6 Ų34.612%0.12316%0.162CC..EExtended strand (participates in β ladder)trans-118.8121.1176.7174.8-102.1000108.9P235 E260 A261 R262 A808 L810F233-P235 HydrophobicContact CD1-CG 4.15Å; F233-P235 HydrophobicContact CE1-CB 3.78Å; F233-P235 HydrophobicContact CE1-CG 3.67Å; F233-P235 HydrophobicContact CZ-CB 4.07Å; F233-P235 HydrophobicContact CZ-CG 4.45Å; F233-P235 WeakPolarHBondContact O-CD 3.42Å; F233-E260 HydrophobicContact CE2-CB 3.7Å; F233-E260 HydrophobicContact CE2-CG 3.76Å; F233-E260 WeakPolarHBondContact CE2-OE2 3.36Å; F233-E260 HydrophobicContact CZ-CB 4.12Å; F233-E260 VanDerWaalsContact CZ-CD 3.48Å; F233-E260 HydrophobicContact CZ-CG 3.66Å; F233-A261 WeakPolarHBondContact CA-O 3.42Å; F233-R262 HydrophobicContact CD2-CG 3.84Å; F233-R262 HydrophobicContact CE2-CG 4.4Å; F233-A808 PolarHBondContact N-O 2.93Å; F233-L810 HydrophobicContact CB-CD1 3.86Å; F233-L810 HydrophobicContact CB-CD2 4.47Å; F233-L810 HydrophobicContact CB-CG 3.62Å; F233-L810 HydrophobicContact CD1-CD1 3.89Å; F233-L810 HydrophobicContact CD1-CD2 3.53Å; F233-L810 HydrophobicContact CD1-CG 3.6Å; F233-L810 HydrophobicContact CD2-CD1 3.35Å; F233-L810 HydrophobicContact CD2-CG 3.96Å; F233-L810 HydrophobicContact CE1-CD1 4.24Å; F233-L810 HydrophobicContact CE1-CD2 3.76Å; F233-L810 HydrophobicContact CE1-CG 4.21Å; F233-L810 HydrophobicContact CE2-CD1 3.71Å; F233-L810 HydrophobicContact CE2-CG 4.49Å; F233-L810 HydrophobicContact CG-CD1 3.42Å; F233-L810 VanDerWaalsContact CG-CD1 3.42Å; F233-L810 HydrophobicContact CG-CD2 3.94Å; F233-L810 HydrophobicContact CG-CG 3.45Å; F233-L810 VanDerWaalsContact CG-CG 3.45Å; F233-L810 HydrophobicContact CZ-CD1 4.15Å; F233-L810 HydrophobicContact CZ-CD2 4.34Å
234F78.9Confident82.2Confident3 Ų335.6 Ų35.61%0.01317%0.173CC..EExtended strand (participates in β ladder)trans-124.689.1-173.8-56.4-81.7000108.3L195 Y197 F226 L230 A261 C263 A808 F972L195-F234 HydrophobicContact CD1-CB 4.12Å; Y197-F234 HydrophobicContact CD2-CD1 4.19Å; Y197-F234 HydrophobicContact CD2-CE1 4.14Å; Y197-F234 HydrophobicContact CE2-CD1 4.45Å; Y197-F234 HydrophobicContact CE2-CE1 4.03Å; F226-F234 HydrophobicContact CE1-CD2 4.26Å; F226-F234 HydrophobicContact CE2-CB 3.89Å; F226-F234 HydrophobicContact CE2-CG 4.42Å; F226-F234 HydrophobicContact CZ-CB 3.63Å; F226-F234 AromaticContact CZ-CD2 3.66Å; F226-F234 HydrophobicContact CZ-CD2 3.66Å; F226-F234 AromaticContact CZ-CG 3.75Å; F226-F234 HydrophobicContact CZ-CG 3.75Å; L230-F234 HydrophobicContact CB-CZ 4.16Å; F234-A261 HydrophobicContact CB-CB 4.36Å; F234-A261 PolarHBondContact N-O 2.96Å; F234-A261 PolarHBondContact O-N 3.08Å; F234-C263 HydrophobicContact CE2-CB 4.26Å; F234-A808 HydrophobicContact CD1-CB 4.21Å; F234-A808 HydrophobicContact CE1-CB 3.85Å; F234-A808 HydrophobicContact CZ-CB 4.45Å; F234-F972 HydrophobicContact CD1-CD2 4.49Å; F234-F972 HydrophobicContact CD1-CE2 4.37Å; F234-F972 AromaticContact CE1-CD2 3.82Å; F234-F972 HydrophobicContact CE1-CD2 3.82Å; F234-F972 HydrophobicContact CE1-CE2 4.14Å
235P72.9Confident82Confident52 Ų5238.1 Ų38.134%0.33819%0.186SC..EExtended strand (participates in β ladder)trans-73.9140.3173.631.5-31.2000108.6H193 F233 I259H193-P235 PolarHBondContact NE2-O 2.76Å; F233-P235 HydrophobicContact CD1-CG 4.15Å; F233-P235 HydrophobicContact CE1-CB 3.78Å; F233-P235 HydrophobicContact CE1-CG 3.67Å; F233-P235 HydrophobicContact CZ-CB 4.07Å; F233-P235 HydrophobicContact CZ-CG 4.45Å; F233-P235 WeakPolarHBondContact O-CD 3.42Å; P235-I259 CarbonylContact C-O 3.57Å; P235-I259 WeakPolarHBondContact CA-O 3.24Å
236A73.8Confident81.9Confident1 Ų137.8 Ų37.81%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-131.3132.4173.400000109.3H193 L195 L198 I258 I259H193-A236 WeakPolarHBondContact NE2-CA 3.46Å; L195-A236 HydrophobicContact CD1-CB 3.85Å; L198-A236 HydrophobicContact CD2-CB 3.65Å; A236-I258 CarbonylContact O-C 3.57Å; A236-I258 WeakPolarHBondContact O-CA 3.49Å; A236-I259 HydrophobicContact CB-CB 4.28Å; A236-I259 PolarHBondContact N-O 2.77Å; A236-I259 PolarHBondContact O-N 2.8Å
237T74.2Confident81.8Confident28 Ų2843.4 Ų43.417%0.17222%0.218CC..EExtended strand (participates in β ladder)trans-111.8118.6178.7-540000108.4P191 L192 H193 V256 I258P191-T237 CarbonylContact C-O 3.02Å; P191-T237 WeakPolarHBondContact CA-O 3.15Å; L192-T237 HydrophobicContact CD1-CG2 3.5Å; L192-T237 HydrophobicContact CG-CG2 4.14Å; L192-T237 PolarHBondContact N-O 3.17Å; H193-T237 PolarHBondContact CE1-N 3.43Å; T237-V256 HydrophobicContact CG2-CG1 3.31Å; T237-I258 HydrophobicContact CG2-CG1 4.46Å
238L79.9Confident81.3Confident0 Ų042 Ų420%023%0.23CC..EExtended strand (participates in β ladder)trans-101.8128.3176.2-60.9-174.3000109.5L174 P191 L198 L200 F240 V256 R257 I259L174-L238 HydrophobicContact CD1-CD1 3.74Å; P191-L238 HydrophobicContact CB-CD2 3.86Å; L198-L238 HydrophobicContact CD2-CD2 4.4Å; L200-L238 HydrophobicContact CD1-CD1 4.5Å; L200-L238 HydrophobicContact CD1-CD2 3.67Å; L200-L238 HydrophobicContact CD2-CD1 4.04Å; L200-L238 HydrophobicContact CD2-CD2 4.33Å; L238-F240 HydrophobicContact CB-CD2 4.46Å; L238-F240 HydrophobicContact CB-CE2 3.62Å; L238-F240 HydrophobicContact CB-CZ 3.99Å; L238-F240 HydrophobicContact CD1-CE2 4.46Å; L238-F240 HydrophobicContact CD1-CZ 4.07Å; L238-V256 CarbonylContact O-C 3.52Å; L238-V256 WeakPolarHBondContact O-CA 3.38Å; L238-R257 PolarHBondContact N-O 2.89Å; L238-R257 PolarHBondContact O-N 3.1Å; L238-I259 HydrophobicContact CD1-CD1 3.54Å; L238-I259 HydrophobicContact CD1-CG1 4.49Å; L238-I259 HydrophobicContact CG-CD1 4.06Å
239A80.3Confident80.9Confident4 Ų446.3 Ų46.33%0.03327%0.266CS..EExtended strand (participates in β ladder)trans-105.1134.4170.500000109.8Y189 T190 L192 V256 L989Y189-A239 CarbonylContact C-O 3.51Å; Y189-A239 WeakPolarHBondContact CA-O 3.33Å; Y189-A239 WeakPolarHBondContact CB-O 3.28Å; T190-A239 PolarHBondContact N-O 3.47Å; T190-A239 PolarHBondContact O-N 3.07Å; L192-A239 HydrophobicContact CD2-CB 3.71Å; L192-A239 HydrophobicContact CG-CB 4.25Å; A239-V256 HydrophobicContact CB-CG2 4.39Å; A239-L989 HydrophobicContact CB-CD1 4.46Å; A239-L989 HydrophobicContact CB-CD2 4.49Å
240F87.5Confident80.8Confident0 Ų040.4 Ų40.40%024%0.24CC..EExtended strand (participates in β ladder)trans-117.6126.2178.4-59.4-99.1000108.2I150 L174 V176 F186 Y189 I222 L238 F242 H254 I255 R257I150-F240 HydrophobicContact CD1-CB 3.76Å; I150-F240 HydrophobicContact CD1-CD1 3.85Å; I150-F240 HydrophobicContact CD1-CD2 3.39Å; I150-F240 HydrophobicContact CD1-CE1 4.32Å; I150-F240 HydrophobicContact CD1-CE2 3.9Å; I150-F240 HydrophobicContact CD1-CG 3.38Å; I150-F240 HydrophobicContact CD1-CZ 4.34Å; I150-F240 HydrophobicContact CG2-CE2 4.49Å; I150-F240 HydrophobicContact CG2-CZ 4.39Å; L174-F240 HydrophobicContact CD1-CZ 3.92Å; V176-F240 HydrophobicContact CG2-CD1 4.27Å; V176-F240 HydrophobicContact CG2-CE1 4.27Å; F186-F240 HydrophobicContact CE2-CB 4.13Å; F186-F240 AromaticContact CE2-CD1 3.86Å; F186-F240 HydrophobicContact CE2-CD1 3.86Å; F186-F240 AromaticContact CZ-CD1 3.81Å; F186-F240 HydrophobicContact CZ-CD1 3.81Å; F186-F240 HydrophobicContact CZ-CE1 4.48Å; Y189-F240 HydrophobicContact CD2-CE1 4.33Å; Y189-F240 HydrophobicContact CG-CD1 4.28Å; Y189-F240 HydrophobicContact CG-CE1 4.21Å; I222-F240 HydrophobicContact CD1-CD1 4.36Å; I222-F240 HydrophobicContact CD1-CE1 3.71Å; L238-F240 HydrophobicContact CB-CD2 4.46Å; L238-F240 HydrophobicContact CB-CE2 3.62Å; L238-F240 HydrophobicContact CB-CZ 3.99Å; L238-F240 HydrophobicContact CD1-CE2 4.46Å; L238-F240 HydrophobicContact CD1-CZ 4.07Å; F240-F242 HydrophobicContact CB-CE2 3.57Å; F240-F242 HydrophobicContact CB-CZ 3.93Å; F240-H254 CarbonylContact O-C 3.26Å; F240-H254 WeakPolarHBondContact O-CA 3.48Å; F240-I255 WeakPolarHBondContact CD2-O 3.37Å; F240-I255 PolarHBondContact N-O 3.26Å; F240-I255 PolarHBondContact O-N 2.99Å; F240-R257 HydrophobicContact CE2-CB 4.1Å; F240-R257 HydrophobicContact CE2-CG 4.07Å
241E88.1Confident80.4Confident17 Ų1742.2 Ų42.28%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-104.2137.4178.9-175.5-177.990.400111.4F186 T187 Y188 A252 H254F186-E241 WeakPolarHBondContact CD2-O 3.48Å; T187-E241 PolarHBondContact N-O 3.08Å; T187-E241 VanDerWaalsContact OG1-CB 3.25Å; T187-E241 WeakPolarHBondContact OG1-CB 3.43Å; T187-E241 VanDerWaalsContact OG1-CD 3.31Å; T187-E241 WeakPolarHBondContact OG1-CG 3.36Å; T187-E241 PolarHBondContact OG1-O 3.43Å; T187-E241 VanDerWaalsContact OG1-O 3.13Å; T187-E241 PolarHBondContact OG1-OE1 3.31Å; Y188-E241 HydrophobicContact CD1-CB 3.74Å; Y188-E241 HydrophobicContact CD1-CG 4.39Å; Y188-E241 HydrophobicContact CE1-CB 3.51Å; Y188-E241 HydrophobicContact CE1-CG 4Å; Y188-E241 VanDerWaalsContact CE1-OE1 3.3Å; Y188-E241 WeakPolarHBondContact CE1-OE1 3.28Å; Y188-E241 WeakPolarHBondContact CE1-OE2 3.46Å; Y188-E241 PolarHBondContact O-N 2.82Å; E241-A252 HydrophobicContact CG-CB 3.74Å; E241-H254 WeakPolarHBondContact CG-NE2 3.33Å; E241-H254 IonicContact OE2-CD2 2.67Å; E241-H254 IonicContact OE2-CE1 3.5Å; E241-H254 IonicContact OE2-NE2 3.76Å; E241-H254 PolarHBondContact OE2-NE2 3.09Å
242F89.6Confident80.3Confident0 Ų041.9 Ų41.90%026%0.262CS..EExtended strand (participates in β ladder)trans-131.7149.7177.3-57.8-87.5000111.3I148 I150 V176 V184 Y185 F186 L214 F240 A252 F253 I255I148-F242 HydrophobicContact CG2-CD1 4.28Å; I148-F242 HydrophobicContact CG2-CE1 3.76Å; I148-F242 HydrophobicContact CG2-CE2 4.07Å; I148-F242 HydrophobicContact CG2-CZ 3.65Å; I150-F242 HydrophobicContact CD1-CE2 4.36Å; I150-F242 HydrophobicContact CD1-CZ 4.29Å; V176-F242 HydrophobicContact CG1-CE1 3.68Å; V176-F242 HydrophobicContact CG1-CZ 3.66Å; V184-F242 HydrophobicContact CG1-CD1 4.15Å; V184-F242 HydrophobicContact CG2-CB 3.99Å; Y185-F242 CarbonylContact O-C 3.55Å; Y185-F242 VanDerWaalsContact O-CA 3.23Å; Y185-F242 WeakPolarHBondContact O-CA 3.34Å; F186-F242 HydrophobicContact CB-CD1 3.89Å; F186-F242 HydrophobicContact CB-CE1 3.74Å; F186-F242 AromaticContact CD2-CD1 3.91Å; F186-F242 HydrophobicContact CD2-CD1 3.91Å; F186-F242 AromaticContact CD2-CE1 3.41Å; F186-F242 HydrophobicContact CD2-CE1 3.41Å; F186-F242 VanDerWaalsContact CD2-CE1 3.41Å; F186-F242 AromaticContact CD2-CZ 3.77Å; F186-F242 HydrophobicContact CD2-CZ 3.77Å; F186-F242 HydrophobicContact CE2-CE1 4.23Å; F186-F242 HydrophobicContact CE2-CZ 4.15Å; F186-F242 HydrophobicContact CG-CD1 4.28Å; F186-F242 AromaticContact CG-CE1 3.76Å; F186-F242 HydrophobicContact CG-CE1 3.76Å; F186-F242 HydrophobicContact CG-CZ 4.45Å; L214-F242 HydrophobicContact CD1-CE1 4.44Å; F240-F242 HydrophobicContact CB-CE2 3.57Å; F240-F242 HydrophobicContact CB-CZ 3.93Å; F242-A252 CarbonylContact O-C 3.51Å; F242-A252 VanDerWaalsContact O-CA 3.3Å; F242-A252 WeakPolarHBondContact O-CA 3.39Å; F242-F253 HydrophobicContact CB-CD1 4.05Å; F242-F253 HydrophobicContact CB-CD2 4.11Å; F242-F253 HydrophobicContact CB-CE1 3.55Å; F242-F253 HydrophobicContact CB-CE2 3.62Å; F242-F253 HydrophobicContact CB-CG 4.32Å; F242-F253 HydrophobicContact CB-CZ 3.32Å; F242-F253 HydrophobicContact CD2-CD2 4.24Å; F242-F253 AromaticContact CD2-CE2 3.78Å; F242-F253 HydrophobicContact CD2-CE2 3.78Å; F242-F253 HydrophobicContact CD2-CZ 4.28Å; F242-F253 AromaticContact CG-CE2 3.9Å; F242-F253 HydrophobicContact CG-CE2 3.9Å; F242-F253 AromaticContact CG-CZ 3.92Å; F242-F253 HydrophobicContact CG-CZ 3.92Å; F242-F253 PolarHBondContact N-O 3.44Å; F242-F253 PolarHBondContact O-N 2.75Å; F242-I255 HydrophobicContact CD2-CD1 4.41Å; F242-I255 HydrophobicContact CD2-CG1 4.43Å; F242-I255 HydrophobicContact CE2-CB 4.23Å; F242-I255 HydrophobicContact CE2-CD1 4.02Å; F242-I255 HydrophobicContact CE2-CG1 4.18Å
243K88.9Confident80.4Confident38 Ų3842.9 Ų42.917%0.16527%0.265CS..EExtended strand (participates in β ladder)trans-134.9140.1172.2-72.7-166.8164.6-153.40112.4V184 Y185 T187 D245 T250 A252V184-K243 WeakPolarHBondContact CG2-O 3.5Å; Y185-K243 PolarHBondContact N-O 3.15Å; Y185-K243 PolarHBondContact O-N 3.3Å; T187-K243 HydrophobicContact CG2-CB 4.19Å; T187-K243 HydrophobicContact CG2-CD 4.32Å; T187-K243 HydrophobicContact CG2-CG 4.02Å; K243-D245 VanDerWaalsContact C-N 3.28Å; K243-D245 VanDerWaalsContact CB-O 3.22Å; K243-D245 WeakPolarHBondContact CB-O 3.34Å; K243-D245 PolarHBondContact O-N 3.15Å; K243-T250 PolarHBondContact NZ-O 2.85Å; K243-A252 HydrophobicContact CD-CB 4.44Å; K243-A252 HydrophobicContact CG-CB 3.75Å
244P85.8Confident80.5Confident68 Ų6842.2 Ų42.244%0.44226%0.262SS..SBendtrans-59.5-39.4171.1-21.532000112.7T250P244-T250 HydrophobicContact CB-CG2 4.24Å; P244-T250 HydrophobicContact CG-CG2 3.97Å
245D83.6Confident80.6Confident53 Ų5342 Ų4228%0.28326%0.261SS..SBendtrans-145.7169.8177.560.458.7000110.8K243 E247 T250K243-D245 VanDerWaalsContact C-N 3.28Å; K243-D245 VanDerWaalsContact CB-O 3.22Å; K243-D245 WeakPolarHBondContact CB-O 3.34Å; K243-D245 PolarHBondContact O-N 3.15Å; D245-E247 VanDerWaalsContact C-N 3.27Å; D245-E247 PolarHBondContact O-N 3.37Å; D245-E247 VanDerWaalsContact OD1-CB 3.24Å; D245-E247 WeakPolarHBondContact OD1-CB 3.24Å; D245-E247 PolarHBondContact OD1-N 3.23Å; D245-T250 VanDerWaalsContact CG-OG1 3.24Å; D245-T250 WeakPolarHBondContact OD1-CB 3.4Å; D245-T250 PolarHBondContact OD1-OG1 2.95Å; D245-T250 PolarHBondContact OD2-OG1 3.48Å; D245-T250 VanDerWaalsContact OD2-OG1 3.12Å
246L83.8Confident80.9Confident95 Ų9539.8 Ų39.850%0.49725%0.247SC..SBendtrans-89.213.1-178.9-62.8176.8000112.8Y185 P211Y185-L246 HydrophobicContact CD1-CD1 3.95Å; Y185-L246 HydrophobicContact CD1-CD2 3.9Å; Y185-L246 HydrophobicContact CD1-CG 3.9Å; Y185-L246 HydrophobicContact CD2-CD2 4.32Å; Y185-L246 HydrophobicContact CD2-CG 4.1Å; Y185-L246 HydrophobicContact CE1-CD1 3.7Å; Y185-L246 HydrophobicContact CE1-CD2 4.45Å; Y185-L246 HydrophobicContact CE1-CG 3.95Å; Y185-L246 HydrophobicContact CE2-CG 4.17Å; Y185-L246 HydrophobicContact CG-CD2 3.82Å; Y185-L246 HydrophobicContact CG-CG 3.97Å; P211-L246 HydrophobicContact CB-CD2 4.22Å; P211-L246 HydrophobicContact CG-CD1 4.09Å; P211-L246 HydrophobicContact CG-CD2 3.86Å
247E83Confident81.1Confident121 Ų12140.3 Ų40.357%0.56525%0.248SC*.  trans-71.4140.2177.9-60.5-168.1172.900110.8D245 A249 T250D245-E247 VanDerWaalsContact C-N 3.27Å; D245-E247 PolarHBondContact O-N 3.37Å; D245-E247 VanDerWaalsContact OD1-CB 3.24Å; D245-E247 WeakPolarHBondContact OD1-CB 3.24Å; D245-E247 PolarHBondContact OD1-N 3.23Å; E247-A249 PolarHBondContact O-N 3.19Å; E247-T250 PolarHBondContact O-N 2.89Å
248P72.8Confident81.3Confident130 Ų13039.6 Ų39.684%0.84424%0.244SC*.THydrogen-bonded Turntrans-62.2-27.8179.8-23.333.2000113.7T250P248-T250 VanDerWaalsContact C-N 3.34Å
249A71.4Confident81.2Confident98 Ų9839.7 Ų39.781%0.8124%0.244SC*.THydrogen-bonded Turntrans-78.4-18.5-17900000113.3E247E247-A249 PolarHBondContact O-N 3.19Å
250T76.4Confident81.3Confident31 Ų3140.1 Ų40.119%0.1925%0.245CC..SBendtrans-81.5123.9-177.5-54.60000110.3K243 P244 D245 E247 P248K243-T250 PolarHBondContact NZ-O 2.85Å; P244-T250 HydrophobicContact CB-CG2 4.24Å; P244-T250 HydrophobicContact CG-CG2 3.97Å; D245-T250 VanDerWaalsContact CG-OG1 3.24Å; D245-T250 WeakPolarHBondContact OD1-CB 3.4Å; D245-T250 PolarHBondContact OD1-OG1 2.95Å; D245-T250 PolarHBondContact OD2-OG1 3.48Å; D245-T250 VanDerWaalsContact OD2-OG1 3.12Å; E247-T250 PolarHBondContact O-N 2.89Å; P248-T250 VanDerWaalsContact C-N 3.34Å
251A74.5Confident80.9Confident81 Ų8140.1 Ų40.167%0.66925%0.245SC*.PPolyproline II helixtrans-64.1134.1178.900000110.9
252A81.9Confident80.6Confident26 Ų2643.5 Ų43.522%0.21526%0.257CS..PPolyproline II helixtrans-79.215416800000110.3E241 F242 K243E241-A252 HydrophobicContact CG-CB 3.74Å; F242-A252 CarbonylContact O-C 3.51Å; F242-A252 VanDerWaalsContact O-CA 3.3Å; F242-A252 WeakPolarHBondContact O-CA 3.39Å; K243-A252 HydrophobicContact CD-CB 4.44Å; K243-A252 HydrophobicContact CG-CB 3.75Å
253F82.7Confident80.3Confident26 Ų2643.9 Ų43.911%0.11426%0.26CS..EExtended strand (participates in β ladder)trans-122.9148.216769.9-90.6000110.3K145 H146 I148 V184 F242 I255K145-F253 HydrophobicContact CB-CD2 4.01Å; K145-F253 HydrophobicContact CB-CE2 4.15Å; K145-F253 HydrophobicContact CD-CD2 4.43Å; H146-F253 HydrophobicContact CB-CE1 4.22Å; H146-F253 HydrophobicContact CB-CE2 4.33Å; H146-F253 HydrophobicContact CB-CZ 3.92Å; H146-F253 AromaticContact CD2-CD1 3.74Å; H146-F253 AromaticContact CD2-CD2 3.71Å; H146-F253 AromaticContact CD2-CE1 3.94Å; H146-F253 AromaticContact CD2-CE2 3.91Å; H146-F253 AromaticContact CD2-CG 3.61Å; I148-F253 HydrophobicContact CG1-CE2 4.22Å; I148-F253 HydrophobicContact CG1-CZ 3.88Å; V184-F253 HydrophobicContact CG2-CE1 3.95Å; V184-F253 HydrophobicContact CG2-CZ 4.09Å; F242-F253 HydrophobicContact CB-CD1 4.05Å; F242-F253 HydrophobicContact CB-CD2 4.11Å; F242-F253 HydrophobicContact CB-CE1 3.55Å; F242-F253 HydrophobicContact CB-CE2 3.62Å; F242-F253 HydrophobicContact CB-CG 4.32Å; F242-F253 HydrophobicContact CB-CZ 3.32Å; F242-F253 HydrophobicContact CD2-CD2 4.24Å; F242-F253 AromaticContact CD2-CE2 3.78Å; F242-F253 HydrophobicContact CD2-CE2 3.78Å; F242-F253 HydrophobicContact CD2-CZ 4.28Å; F242-F253 AromaticContact CG-CE2 3.9Å; F242-F253 HydrophobicContact CG-CE2 3.9Å; F242-F253 AromaticContact CG-CZ 3.92Å; F242-F253 HydrophobicContact CG-CZ 3.92Å; F242-F253 PolarHBondContact N-O 3.44Å; F242-F253 PolarHBondContact O-N 2.75Å; F253-I255 HydrophobicContact CE2-CD1 4.34Å; F253-I255 HydrophobicContact CE2-CG1 4.48Å
254H81Confident79.7Confident14 Ų1444.4 Ų44.47%0.06526%0.264CS..EExtended strand (participates in β ladder)trans-117.5143-177.3-54.676.5000111.9K145 F240 E241 L989K145-H254 WeakPolarHBondContact CE-O 3.39Å; K145-H254 PolarHBondContact NZ-O 3.43Å; F240-H254 CarbonylContact O-C 3.26Å; F240-H254 WeakPolarHBondContact O-CA 3.48Å; E241-H254 WeakPolarHBondContact CG-NE2 3.33Å; E241-H254 IonicContact OE2-CD2 2.67Å; E241-H254 IonicContact OE2-CE1 3.5Å; E241-H254 IonicContact OE2-NE2 3.76Å; E241-H254 PolarHBondContact OE2-NE2 3.09Å; H254-L989 HydrophobicContact CB-CD2 4.02Å; H254-L989 VanDerWaalsContact CD2-CD2 3.47Å; H254-L989 WeakPolarHBondContact CD2-CD2 3.45Å
255I80.7Confident79.6Confident0 Ų044 Ų440%026%0.261CS..EExtended strand (participates in β ladder)trans-116.4134.7168.3-60.8177.1000107.2K145 I148 I150 F240 F242 F253K145-I255 HydrophobicContact CB-CD1 4.39Å; K145-I255 HydrophobicContact CB-CG1 4.3Å; K145-I255 HydrophobicContact CD-CG1 4.47Å; K145-I255 HydrophobicContact CG-CG1 4.39Å; I148-I255 HydrophobicContact CB-CD1 3.85Å; I148-I255 HydrophobicContact CG2-CD1 3.84Å; I150-I255 HydrophobicContact CD1-CB 3.94Å; I150-I255 HydrophobicContact CD1-CG2 3.69Å; I150-I255 HydrophobicContact CG1-CG2 4.22Å; F240-I255 WeakPolarHBondContact CD2-O 3.37Å; F240-I255 PolarHBondContact N-O 3.26Å; F240-I255 PolarHBondContact O-N 2.99Å; F242-I255 HydrophobicContact CD2-CD1 4.41Å; F242-I255 HydrophobicContact CD2-CG1 4.43Å; F242-I255 HydrophobicContact CE2-CB 4.23Å; F242-I255 HydrophobicContact CE2-CD1 4.02Å; F242-I255 HydrophobicContact CE2-CG1 4.18Å; F253-I255 HydrophobicContact CE2-CD1 4.34Å; F253-I255 HydrophobicContact CE2-CG1 4.48Å
256V78.2Confident79.5Confident4 Ų445.6 Ų45.62%0.02428%0.276CS..EExtended strand (participates in β ladder)trans-111.3142.1179.9176.70000110L141 I142 T237 L238 A239L141-V256 HydrophobicContact CB-CB 4.06Å; L141-V256 HydrophobicContact CB-CG2 3.92Å; L141-V256 HydrophobicContact CD2-CG2 4.12Å; L141-V256 HydrophobicContact CG-CG2 4.43Å; L141-V256 PolarHBondContact O-N 3.21Å; I142-V256 WeakPolarHBondContact CA-O 3.49Å; T237-V256 HydrophobicContact CG2-CG1 3.31Å; L238-V256 CarbonylContact O-C 3.52Å; L238-V256 WeakPolarHBondContact O-CA 3.38Å; A239-V256 HydrophobicContact CB-CG2 4.39Å
257R79.6Confident79.6Confident12 Ų1241.5 Ų41.55%0.04525%0.254CS..EExtended strand (participates in β ladder)trans-128.4137.1169.8-68.2-62.8-174.8-97.75.7110.7I142 D144 I150 F156 L238 F240I142-R257 PolarHBondContact O-NH1 3.24Å; D144-R257 IonicContact OD1-CZ 2.71Å; D144-R257 IonicContact OD1-NH2 2.68Å; D144-R257 PolarHBondContact OD1-NH2 3.03Å; I150-R257 HydrophobicContact CB-CG 4.25Å; I150-R257 HydrophobicContact CG2-CG 3.97Å; I150-R257 PolarHBondContact O-NE 3.07Å; I150-R257 PolarHBondContact O-NH2 3.32Å; F156-R257 HydrophobicContact CE1-CB 4.1Å; F156-R257 HydrophobicContact CE1-CG 4.1Å; F156-R257 HydrophobicContact CZ-CB 4.36Å; F156-R257 HydrophobicContact CZ-CG 4.06Å; L238-R257 PolarHBondContact N-O 2.89Å; L238-R257 PolarHBondContact O-N 3.1Å; F240-R257 HydrophobicContact CE2-CB 4.1Å; F240-R257 HydrophobicContact CE2-CG 4.07Å
258I77Confident79.5Confident14 Ų1435.9 Ų35.97%0.07223%0.229CC..EExtended strand (participates in β ladder)trans-101.8129.2175.1-58174.7000107.6L138 I142 K160 L161 A236 T237 E260L138-I258 HydrophobicContact CD1-CD1 4.36Å; L138-I258 HydrophobicContact CD2-CD1 4.13Å; I142-I258 HydrophobicContact CD1-CD1 3.74Å; I142-I258 HydrophobicContact CD1-CG1 4.32Å; K160-I258 CarbonylContact C-O 3.54Å; K160-I258 WeakPolarHBondContact CA-O 3.42Å; K160-I258 HydrophobicContact CG-CB 4.07Å; K160-I258 HydrophobicContact CG-CD1 4.39Å; K160-I258 HydrophobicContact CG-CG2 4.21Å; L161-I258 PolarHBondContact N-O 2.78Å; A236-I258 CarbonylContact O-C 3.57Å; A236-I258 WeakPolarHBondContact O-CA 3.49Å; T237-I258 HydrophobicContact CG2-CG1 4.46Å; I258-E260 HydrophobicContact CG2-CG 4.09Å
259I78.9Confident80Confident1 Ų133.9 Ų33.91%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-111.2120.7173.8-55.2-178.9000106.9L161 L163 L174 V224 P235 A236 L238L161-I259 HydrophobicContact CD2-CG1 4.3Å; L161-I259 HydrophobicContact CD2-CG2 4.43Å; L161-I259 CarbonylContact O-C 3.55Å; L161-I259 WeakPolarHBondContact O-CA 3.24Å; L163-I259 HydrophobicContact CD1-CG2 3.69Å; L163-I259 HydrophobicContact CG-CG2 4.11Å; L174-I259 HydrophobicContact CD1-CD1 4.39Å; V224-I259 HydrophobicContact CG1-CD1 3.92Å; V224-I259 HydrophobicContact CG2-CD1 4.15Å; P235-I259 CarbonylContact C-O 3.57Å; P235-I259 WeakPolarHBondContact CA-O 3.24Å; A236-I259 HydrophobicContact CB-CB 4.28Å; A236-I259 PolarHBondContact N-O 2.77Å; A236-I259 PolarHBondContact O-N 2.8Å; L238-I259 HydrophobicContact CD1-CD1 3.54Å; L238-I259 HydrophobicContact CD1-CG1 4.49Å; L238-I259 HydrophobicContact CG-CD1 4.06Å
260E80.9Confident80.7Confident13 Ų1335.1 Ų35.16%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-109.797179.1-72.4-166.9176.900109.3K160 L161 V162 L163 F233 I258 R262K160-E260 VanDerWaalsContact CD-OE1 3.27Å; K160-E260 WeakPolarHBondContact CD-OE1 3.13Å; K160-E260 WeakPolarHBondContact CE-OE1 3.38Å; K160-E260 IonicContact NZ-OE1 3.97Å; K160-E260 PolarHBondContact NZ-OE1 3.36Å; L161-E260 PolarHBondContact O-N 2.91Å; V162-E260 WeakPolarHBondContact CA-O 3.43Å; V162-E260 HydrophobicContact CG2-CB 4.4Å; L163-E260 PolarHBondContact N-O 2.88Å; F233-E260 HydrophobicContact CE2-CB 3.7Å; F233-E260 HydrophobicContact CE2-CG 3.76Å; F233-E260 WeakPolarHBondContact CE2-OE2 3.36Å; F233-E260 HydrophobicContact CZ-CB 4.12Å; F233-E260 VanDerWaalsContact CZ-CD 3.48Å; F233-E260 HydrophobicContact CZ-CG 3.66Å; I258-E260 HydrophobicContact CG2-CG 4.09Å; E260-R262 IonicContact OE2-NH2 3.6Å; E260-R262 PolarHBondContact OE2-NH2 3.27Å; E260-R262 VanDerWaalsContact OE2-NH2 3.16Å
261A80.6Confident81.1Confident1 Ų134 Ų341%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-86.7123.8174.600000111.1L163 V165 F226 F233 F234L163-A261 HydrophobicContact CB-CB 4.37Å; V165-A261 HydrophobicContact CG2-CB 4.42Å; F226-A261 HydrophobicContact CD1-CB 3.76Å; F226-A261 HydrophobicContact CD2-CB 3.8Å; F226-A261 HydrophobicContact CE1-CB 3.61Å; F226-A261 HydrophobicContact CE2-CB 3.66Å; F226-A261 HydrophobicContact CG-CB 3.84Å; F226-A261 HydrophobicContact CZ-CB 3.57Å; F233-A261 WeakPolarHBondContact CA-O 3.42Å; F234-A261 HydrophobicContact CB-CB 4.36Å; F234-A261 PolarHBondContact N-O 2.96Å; F234-A261 PolarHBondContact O-N 3.08Å
262R81.9Confident81.5Confident87 Ų8732 Ų3233%0.32818%0.176SC..EExtended strand (participates in β ladder)trans-113.1106.1179.3-70.1-179.5-170.5-173.96.9109.4L163 V165 F233 E260 I264L163-R262 PolarHBondContact O-N 3.42Å; V165-R262 PolarHBondContact N-O 2.79Å; F233-R262 HydrophobicContact CD2-CG 3.84Å; F233-R262 HydrophobicContact CE2-CG 4.4Å; E260-R262 IonicContact OE2-NH2 3.6Å; E260-R262 PolarHBondContact OE2-NH2 3.27Å; E260-R262 VanDerWaalsContact OE2-NH2 3.16Å; R262-I264 HydrophobicContact CB-CD1 3.92Å; R262-I264 HydrophobicContact CB-CG1 4.09Å
263C81.8Confident81.2Confident9 Ų934 Ų346%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-91.1104.2171.3-65.20000108.5L230 V231 G232 F234L230-C263 WeakPolarHBondContact O-CB 3.45Å; V231-C263 WeakPolarHBondContact CA-O 2.82Å; V231-C263 WeakPolarHBondContact CG1-O 3.45Å; G232-C263 PolarHBondContact N-O 3.34Å; G232-C263 PolarHBondContact O-N 3.44Å; F234-C263 HydrophobicContact CE2-CB 4.26Å
264I76.8Confident81Confident49 Ų4938.6 Ų38.625%0.25122%0.216SC..  trans-131.1135.5-172.5-54.6177.9000108.8R262 G268 L269R262-I264 HydrophobicContact CB-CD1 3.92Å; R262-I264 HydrophobicContact CB-CG1 4.09Å; I264-G268 VanDerWaalsContact CG2-C 3.5Å; I264-L269 HydrophobicContact CG2-CD2 4.23Å; I264-L269 HydrophobicContact CG2-CG 4.05Å
265T83.4Confident80.6Confident59 Ų5939.9 Ų39.936%0.36223%0.229SC..  trans-87.6175.6174.385.10000111.6V231 L267 G268 L269 E827V231-T265 HydrophobicContact CG2-CG2 3.8Å; T265-L267 PolarHBondContact O-N 2.9Å; T265-L267 PolarHBondContact OG1-N 2.72Å; T265-G268 PolarHBondContact O-N 2.94Å; T265-L269 PolarHBondContact O-N 3.1Å; T265-L269 VanDerWaalsContact O-N 3.09Å; T265-E827 WeakPolarHBondContact CA-OE1 3.33Å; T265-E827 WeakPolarHBondContact CB-OE1 3.25Å; T265-E827 VanDerWaalsContact CG2-OE1 3.3Å; T265-E827 WeakPolarHBondContact CG2-OE1 3.27Å; T265-E827 PolarHBondContact N-OE1 2.99Å; T265-E827 PolarHBondContact OG1-OE1 2.82Å
266S82.9Confident79.9Confident86 Ų8645 Ų4560%0.60126%0.263SS*.Hα-helixtrans-57.5-32.7173.458.40000113E270S266-E270 PolarHBondContact O-N 3.4Å
267L84.6Confident79.1Confident10 Ų1046.8 Ų46.85%0.05227%0.269CS..Hα-helixtrans-67-43173.6177.964.6000111.2T265 L269 E270 L271 E827 M830 A869 K872T265-L267 PolarHBondContact O-N 2.9Å; T265-L267 PolarHBondContact OG1-N 2.72Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 2.95Å; L267-E270 PolarHBondContact O-N 3.33Å; L267-L271 HydrophobicContact CD1-CD1 3.92Å; L267-L271 HydrophobicContact CD1-CG 4.23Å; L267-L271 HydrophobicContact CG-CD1 3.87Å; L267-L271 HydrophobicContact CG-CG 4.5Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 2.91Å; L267-L271 VanDerWaalsContact O-N 3.1Å; L267-E827 HydrophobicContact CD2-CG 4.36Å; L267-E827 HydrophobicContact CG-CG 4.48Å; L267-M830 HydrophobicContact CD2-CB 4.18Å; L267-M830 HydrophobicContact CD2-CG 4.04Å; L267-A869 HydrophobicContact CD1-CB 4.27Å; L267-A869 HydrophobicContact CD2-CB 4.38Å; L267-K872 HydrophobicContact CD1-CD 3.98Å
268G82Confident77.9Confident2 Ų253.2 Ų53.22%0.02130%0.297CS..Hα-helixtrans-65.4-35.1-179.800000113.5I264 T265 L271 A272 E827I264-G268 VanDerWaalsContact CG2-C 3.5Å; T265-G268 PolarHBondContact O-N 2.94Å; G268-L271 PolarHBondContact O-N 3Å; G268-A272 PolarHBondContact O-N 2.9Å; G268-A272 VanDerWaalsContact O-N 3.12Å; G268-E827 VanDerWaalsContact CA-CD 3.48Å; G268-E827 VanDerWaalsContact CA-OE1 3.32Å; G268-E827 WeakPolarHBondContact CA-OE1 3.33Å; G268-E827 PolarHBondContact N-OE1 3.45Å
269L83.6Confident76.7Confident88 Ų8854.7 Ų54.746%0.46131%0.308SS..Hα-helixtrans-63.7-40.2174-70.7173000112.4I264 T265 L267 L271 A272I264-L269 HydrophobicContact CG2-CD2 4.23Å; I264-L269 HydrophobicContact CG2-CG 4.05Å; T265-L269 PolarHBondContact O-N 3.1Å; T265-L269 VanDerWaalsContact O-N 3.09Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 2.95Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L269-A272 WeakPolarHBondContact O-CB 3.42Å; L269-A272 PolarHBondContact O-N 3.26Å
270E85.1Confident75.4Confident125 Ų12558.8 Ų58.858%0.58432%0.323SS*.Hα-helixtrans-69.2-31.4176.4-71.5172.7-162.100112.8S266 L267 A272 K872S266-E270 PolarHBondContact O-N 3.4Å; L267-E270 PolarHBondContact O-N 3.33Å; E270-A272 VanDerWaalsContact C-N 3.34Å; E270-K872 IonicContact OE1-NZ 2.8Å; E270-K872 PolarHBondContact OE1-NZ 2.82Å; E270-K872 WeakPolarHBondContact OE2-CD 3.49Å; E270-K872 IonicContact OE2-NZ 3.32Å; E270-K872 PolarHBondContact OE2-NZ 3.35Å
271L84.9Confident73.8Confident8 Ų860.2 Ų60.24%0.04234%0.335CS..THydrogen-bonded Turntrans-87.5-1.7-179.4-66.4175.9000113.7L267 G268 L269 V823 V826 K865 Q868 A869L267-L271 HydrophobicContact CD1-CD1 3.92Å; L267-L271 HydrophobicContact CD1-CG 4.23Å; L267-L271 HydrophobicContact CG-CD1 3.87Å; L267-L271 HydrophobicContact CG-CG 4.5Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 2.91Å; L267-L271 VanDerWaalsContact O-N 3.1Å; G268-L271 PolarHBondContact O-N 3Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L271-V823 HydrophobicContact CB-CG1 3.97Å; L271-V823 HydrophobicContact CB-CG2 4.16Å; L271-V826 HydrophobicContact CD1-CB 4.37Å; L271-V826 HydrophobicContact CD1-CG1 3.8Å; L271-K865 HydrophobicContact CB-CD 4.38Å; L271-K865 HydrophobicContact CD2-CD 4.13Å; L271-K865 WeakPolarHBondContact O-CE 3.06Å; L271-K865 PolarHBondContact O-NZ 3.02Å; L271-Q868 HydrophobicContact CD2-CB 4.16Å; L271-A869 HydrophobicContact CD1-CB 4Å
272A81.9Confident72.1Confident39 Ų3962.3 Ų62.332%0.32235%0.346SS..SBendtrans-55.3158.2-179.800000112.7G268 L269 E270 V274 K865G268-A272 PolarHBondContact O-N 2.9Å; G268-A272 VanDerWaalsContact O-N 3.12Å; L269-A272 WeakPolarHBondContact O-CB 3.42Å; L269-A272 PolarHBondContact O-N 3.26Å; E270-A272 VanDerWaalsContact C-N 3.34Å; A272-V274 PolarHBondContact O-N 3.18Å; A272-K865 PolarHBondContact O-NZ 2.95Å
273P77.5Confident70.3Confident66 Ų6660 Ų6043%0.42934%0.342SS..  trans-56.6126.1175.4-20.229.3000111.7A812 E814 F821P273-A812 HydrophobicContact CG-CB 3.93Å; P273-E814 WeakPolarHBondContact CA-OE2 3.45Å; P273-E814 HydrophobicContact CB-CB 4.22Å; P273-F821 HydrophobicContact CB-CZ 4.04Å; P273-F821 HydrophobicContact CG-CE2 4.32Å; P273-F821 HydrophobicContact CG-CZ 3.73Å
274V77.9Confident68.3Low124 Ų12463 Ų6375%0.75237%0.368SS*.SBendtrans-74-31.1-179.2-176.10000112A272 E814A272-V274 PolarHBondContact O-N 3.18Å; V274-E814 PolarHBondContact N-OE2 3.16Å
275A71.4Confident66.6Low40 Ų4068 Ų6833%0.33139%0.388SS..SBendtrans-156154.3177.800000110.9E814 S815A275-E814 WeakPolarHBondContact O-CA 3.34Å; A275-E814 WeakPolarHBondContact O-CB 3.26Å; A275-S815 PolarHBondContact O-N 2.78Å; A275-S815 VanDerWaalsContact O-N 3.07Å
276P67.2Low64.8Low108 Ų10868.6 Ų68.670%0.70139%0.391SS*.  trans-59.1147.3174.1-21.932.6000112.8S815P276-S815 PolarHBondContact O-N 3.21Å
277Y60.4Low62.9Low41 Ų4168.7 Ų68.716%0.16139%0.39CS..  trans-69.9133.9178.4173-111.1000112.6W98 P279 R813 S815 S817 P818W98-Y277 HydrophobicContact CH2-CE1 4.04Å; Y277-P279 HydrophobicContact CE1-CB 4.45Å; Y277-P279 HydrophobicContact CE1-CG 3.82Å; Y277-P279 WeakPolarHBondContact OH-CA 3.41Å; Y277-R813 HydrophobicContact CD2-CB 4.27Å; Y277-R813 VanDerWaalsContact CE1-NH1 3.32Å; Y277-R813 HydrophobicContact CG-CB 3.92Å; Y277-S815 CarbonylContact C-O 3.26Å; Y277-S815 WeakPolarHBondContact CA-O 3.45Å; Y277-S815 WeakPolarHBondContact CD2-O 3.43Å; Y277-S817 WeakPolarHBondContact CD2-O 3.26Å; Y277-S817 WeakPolarHBondContact CE2-O 3.22Å; Y277-P818 HydrophobicContact CE2-CB 3.88Å; Y277-P818 WeakPolarHBondContact OH-CB 3.38Å
278K54.5Low61.1Low147 Ų14774.5 Ų74.564%0.63942%0.421SS*.  trans-131120172.9-65.9-175.6-178.9-179.40109.5S815 T816K278-S815 PolarHBondContact N-O 3.16Å; K278-T816 WeakPolarHBondContact O-CA 3.03Å
279P52.7Low59.8Low45 Ų4579 Ų7929%0.29244%0.444SS..PPolyproline II helixtrans-62.9144.7175.9-14.826000111.9W98 Y277W98-P279 HydrophobicContact CD2-CB 4.14Å; W98-P279 HydrophobicContact CD2-CG 3.79Å; W98-P279 HydrophobicContact CE3-CB 4.21Å; W98-P279 HydrophobicContact CE3-CG 3.38Å; W98-P279 HydrophobicContact CH2-CG 4Å; W98-P279 HydrophobicContact CZ2-CG 4.38Å; W98-P279 HydrophobicContact CZ3-CG 3.5Å; W98-P279 VanDerWaalsContact CZ3-CG 3.5Å; Y277-P279 HydrophobicContact CE1-CB 4.45Å; Y277-P279 HydrophobicContact CE1-CG 3.82Å; Y277-P279 WeakPolarHBondContact OH-CA 3.41Å
280R51Low58.7Low87 Ų8783.1 Ų83.133%0.32847%0.465SS..PPolyproline II helixtrans-80.8129.8172.1-70.6-176.2167.8171.3-0.1110.9D390 T816R280-D390 IonicContact CZ-OD2 2.78Å; R280-D390 VanDerWaalsContact CZ-OD2 3.24Å; R280-D390 IonicContact NE-OD2 3.45Å; R280-D390 PolarHBondContact NE-OD2 2.69Å; R280-D390 IonicContact NH2-OD2 3.58Å; R280-D390 PolarHBondContact NH2-OD2 3.15Å; R280-T816 HydrophobicContact CG-CG2 4.27Å; R280-T816 PolarHBondContact NH2-OG1 2.77Å
281S47.2Very low58.1Low44 Ų4481 Ų8131%0.30845%0.452SS..PPolyproline II helixtrans-86.8163.4169.188.30000112.9E389S281-E389 WeakPolarHBondContact CB-OE1 3.44Å; S281-E389 PolarHBondContact N-OE2 3.44Å; S281-E389 VanDerWaalsContact OG-CG 3.3Å; S281-E389 WeakPolarHBondContact OG-CG 3.35Å; S281-E389 PolarHBondContact OG-OE1 3.4Å; S281-E389 PolarHBondContact OG-OE2 3.42Å
282L45.6Very low58Low45 Ų4589.2 Ų89.224%0.23648%0.482CS..PPolyproline II helixtrans-75.3137.3177.4-79.1-177000112L95 F379 R383L95-L282 HydrophobicContact CB-CD1 3.98Å; L95-L282 HydrophobicContact CD1-CB 3.95Å; L95-L282 HydrophobicContact CD1-CD1 3.27Å; L95-L282 HydrophobicContact CD1-CG 3.83Å; L95-L282 HydrophobicContact CG-CB 4.3Å; L95-L282 HydrophobicContact CG-CD1 3.44Å; L95-L282 VanDerWaalsContact CG-CD1 3.44Å; L95-L282 HydrophobicContact CG-CG 3.74Å; L282-F379 HydrophobicContact CD1-CE1 4.31Å; L282-F379 HydrophobicContact CD1-CE2 3.53Å; L282-F379 HydrophobicContact CD1-CZ 3.24Å; L282-F379 HydrophobicContact CD2-CE1 4.22Å; L282-F379 HydrophobicContact CD2-CE2 4.41Å; L282-F379 HydrophobicContact CD2-CZ 3.85Å; L282-F379 HydrophobicContact CG-CZ 3.99Å; L282-R383 HydrophobicContact CD2-CB 4.42Å; L282-R383 HydrophobicContact CD2-CG 3.49Å; L282-R383 VanDerWaalsContact CD2-CG 3.49Å
283P44Very low58.1Low37 Ų3790.7 Ų90.724%0.2448%0.484CS..PPolyproline II helixtrans-62.1143.4165.724.9-29.4000110.7N385 P387P283-N385 HydrophobicContact CG-CB 4.18Å; P283-P387 WeakPolarHBondContact CB-O 3.19Å
284A40.3Very low58.6Low74 Ų7488.4 Ų88.461%0.61247%0.468SS*.PPolyproline II helixtrans-56.8139.5179.600000111.3T286A284-T286 PolarHBondContact O-N 2.86Å
285F41Very low59.1Low153 Ų15386.8 Ų86.867%0.67146%0.455SS*.  trans-55.7111.3177.1179.1-98.6000110.1P287F285-P287 WeakPolarHBondContact O-CD 3.4Å
286T45.5Very low59.8Low71 Ų7185.4 Ų85.444%0.43645%0.445SS..  trans-77116.7169.839.10000108.4A284A284-T286 PolarHBondContact O-N 2.86Å
287P42.5Very low60.6Low88 Ų8883.9 Ų83.957%0.57143%0.429SS*.  trans-59.6143.4177.222.6-31.2000110.8F285 L289F285-P287 WeakPolarHBondContact O-CD 3.4Å; P287-L289 PolarHBondContact O-N 3.27Å
288D46.2Very low61.5Low133 Ų13384.7 Ų84.771%0.71144%0.439SS*.  trans-63.184.8173.7-69.6-43.2000109.7
289L55.3Low62.4Low97 Ų9778 Ų7851%0.50841%0.41SS..  trans-68.4149.5161.7-73.7160.9000107.9P287 Y291 K434P287-L289 PolarHBondContact O-N 3.27Å; L289-Y291 WeakPolarHBondContact O-CD1 3.28Å; L289-Y291 PolarHBondContact O-N 3.12Å; L289-K434 HydrophobicContact CD1-CB 4.09Å; L289-K434 HydrophobicContact CD1-CD 3.92Å
290I60.1Low62.7Low173 Ų17382.5 Ų82.589%0.88743%0.428SS*.  trans-69.2109.5170.4-60.6171.2000106.5
291Y73.1Confident62.8Low81 Ų8179.9 Ų79.932%0.31843%0.428SS..  trans-119.5148.217856.6-98.5000110.9L289 I293 E435 K437L289-Y291 WeakPolarHBondContact O-CD1 3.28Å; L289-Y291 PolarHBondContact O-N 3.12Å; Y291-I293 HydrophobicContact CD2-CG1 3.82Å; Y291-I293 HydrophobicContact CE2-CD1 3.89Å; Y291-I293 HydrophobicContact CE2-CG1 3.66Å; Y291-E435 CarbonylContact C-O 3.58Å; Y291-E435 VanDerWaalsContact CA-O 3.32Å; Y291-E435 WeakPolarHBondContact CA-O 3.44Å; Y291-K437 HydrophobicContact CD1-CD 4.35Å; Y291-K437 HydrophobicContact CD2-CB 4.42Å; Y291-K437 HydrophobicContact CD2-CD 3.74Å; Y291-K437 HydrophobicContact CD2-CG 4.08Å; Y291-K437 HydrophobicContact CE2-CD 3.9Å; Y291-K437 HydrophobicContact CG-CD 4Å; Y291-K437 HydrophobicContact CG-CG 4.3Å
292R83.1Confident63.2Low180 Ų18080.7 Ų80.768%0.67943%0.428SS*.EExtended strand (participates in β ladder)trans-91.3126.6171.7-175.7179177.6-168.5-2.5109.1E435 V436 K437R292-E435 PolarHBondContact N-O 2.93Å; R292-V436 WeakPolarHBondContact O-CA 3.48Å; R292-K437 PolarHBondContact O-N 2.81Å
293I84.8Confident63.8Low70 Ų7079.5 Ų79.536%0.35942%0.423SS..EExtended strand (participates in β ladder)trans-89.9124.5171.4-55.5177.4000108.7Y291 L427 K437 R439Y291-I293 HydrophobicContact CD2-CG1 3.82Å; Y291-I293 HydrophobicContact CE2-CD1 3.89Å; Y291-I293 HydrophobicContact CE2-CG1 3.66Å; I293-L427 HydrophobicContact CD1-CD2 4.45Å; I293-L427 HydrophobicContact CG2-CD2 4.17Å; I293-K437 CarbonylContact C-O 3.6Å; I293-K437 VanDerWaalsContact CA-O 3.28Å; I293-K437 WeakPolarHBondContact CA-O 3.35Å; I293-R439 HydrophobicContact CG2-CB 4.19Å
294I87.6Confident64.4Low18 Ų1884.3 Ų84.39%0.09244%0.441CS..EExtended strand (participates in β ladder)trans-100.9120.3171.4-59.9-178.7000107.4V436 K437 Y438 R439 E457I294-V436 HydrophobicContact CD1-CG1 3.37Å; I294-V436 HydrophobicContact CG1-CG1 3.82Å; I294-K437 PolarHBondContact N-O 2.94Å; I294-Y438 HydrophobicContact CB-CD1 3.81Å; I294-Y438 HydrophobicContact CB-CE1 4.06Å; I294-Y438 HydrophobicContact CD1-CD1 4.34Å; I294-Y438 HydrophobicContact CD1-CE1 3.71Å; I294-Y438 HydrophobicContact CG1-CE1 4.41Å; I294-Y438 HydrophobicContact CG2-CD1 3.99Å; I294-Y438 HydrophobicContact CG2-CE1 4.13Å; I294-Y438 WeakPolarHBondContact O-CA 3.46Å; I294-R439 PolarHBondContact O-N 2.66Å; I294-E457 WeakPolarHBondContact CD1-OE1 3.44Å; I294-E457 WeakPolarHBondContact CD1-OE2 3.28Å
295D88.9Confident65.5Low90 Ų9084.2 Ų84.248%0.48143%0.425SS..PPolyproline II helixtrans-80.3142.6-170.1-153.615.5000112.6R439 Y441 S455D295-R439 WeakPolarHBondContact OD1-CB 3.36Å; D295-R439 WeakPolarHBondContact OD1-CD 3.31Å; D295-R439 IonicContact OD1-NE 3.81Å; D295-Y441 WeakPolarHBondContact OD1-CE2 3.48Å; D295-Y441 PolarHBondContact OD1-OH 3.3Å; D295-Y441 PolarHBondContact OD2-OH 2.93Å; D295-Y441 VanDerWaalsContact OD2-OH 3.11Å; D295-S455 VanDerWaalsContact O-CB 3.23Å; D295-S455 WeakPolarHBondContact O-CB 3.36Å
296G86.1Confident66.9Low11 Ų1183 Ų8311%0.11342%0.419CS..  trans-85.7-175.3-177.400000114.1P298 R439G296-P298 WeakPolarHBondContact O-CD 3.45Å; G296-R439 WeakPolarHBondContact CA-O 3.41Å; G296-R439 PolarHBondContact N-O 3.08Å; G296-R439 VanDerWaalsContact N-O 3.16Å
297Q83Confident68.1Low77 Ų7780.1 Ų80.136%0.3640%0.401SS..  trans-94.8113.2169.3-70.8-168.5-11.900110.1H443 G453 F454Q297-H443 PolarHBondContact O-NE2 3.14Å; Q297-G453 CarbonylContact O-C 3.59Å; Q297-G453 WeakPolarHBondContact O-CA 3.47Å; Q297-F454 PolarHBondContact N-O 3.2Å
298P80.1Confident69.3Low57 Ų5779.5 Ų79.537%0.3739%0.389SS..PPolyproline II helixtrans-70.3161.5174.537.4-39.2000109.9G296 E300 I302 Y441G296-P298 WeakPolarHBondContact O-CD 3.45Å; P298-E300 PolarHBondContact O-N 2.8Å; P298-I302 HydrophobicContact CB-CD1 3.31Å; P298-I302 HydrophobicContact CB-CG1 4.32Å; P298-I302 HydrophobicContact CG-CD1 3.38Å; P298-Y441 HydrophobicContact CB-CD1 3.95Å; P298-Y441 HydrophobicContact CB-CD2 3.88Å; P298-Y441 HydrophobicContact CB-CE1 4.29Å; P298-Y441 HydrophobicContact CB-CE2 4.22Å; P298-Y441 HydrophobicContact CB-CG 3.73Å
299P72.9Confident69.9Low7 Ų777.4 Ų77.45%0.04538%0.375CS..PPolyproline II helixtrans-48135.3-176.60.1-10.8000115.1G301 I302 H443P299-G301 PolarHBondContact O-N 2.91Å; P299-I302 HydrophobicContact CB-CG1 4.31Å; P299-I302 HydrophobicContact CG-CG1 4.07Å; P299-I302 WeakPolarHBondContact O-CD1 3.15Å; P299-I302 WeakPolarHBondContact O-CG1 3.3Å; P299-I302 PolarHBondContact O-N 3.13Å; P299-H443 WeakPolarHBondContact CA-CE1 3.35Å; P299-H443 WeakPolarHBondContact CA-NE2 3.5Å
300E59Low70.1Confident140 Ų14079.6 Ų79.665%0.65438%0.383SS*.THydrogen-bonded Turntrans-61.4136.7171.2-68.4-178.6-17400109.2P298 R404P298-E300 PolarHBondContact O-N 2.8Å; E300-R404 IonicContact OE1-NH1 3.22Å; E300-R404 PolarHBondContact OE1-NH1 3.13Å
301G53.6Low69.8Low32 Ų3272.8 Ų72.833%0.3335%0.349SS..THydrogen-bonded Turntrans84.615.8-176.900000116.5P299 S303 S628P299-G301 PolarHBondContact O-N 2.91Å; G301-S303 VanDerWaalsContact C-N 3.25Å; G301-S303 PolarHBondContact O-N 3.03Å; G301-S303 VanDerWaalsContact O-N 3.08Å; G301-S628 WeakPolarHBondContact CA-OG 3.27Å; G301-S628 PolarHBondContact O-OG 2.99Å
302I53.9Low68.8Low61 Ų6173.9 Ų73.931%0.31336%0.356SS..  trans-44.3-47.5-174.3-81.7137.2000114.2P298 P299 Y305 S607P298-I302 HydrophobicContact CB-CD1 3.31Å; P298-I302 HydrophobicContact CB-CG1 4.32Å; P298-I302 HydrophobicContact CG-CD1 3.38Å; P299-I302 HydrophobicContact CB-CG1 4.31Å; P299-I302 HydrophobicContact CG-CG1 4.07Å; P299-I302 WeakPolarHBondContact O-CD1 3.15Å; P299-I302 WeakPolarHBondContact O-CG1 3.3Å; P299-I302 PolarHBondContact O-N 3.13Å; I302-Y305 HydrophobicContact CG2-CE2 4.35Å; I302-S607 WeakPolarHBondContact O-CB 3.47Å
303S58.4Low67Low20 Ų2074.1 Ų74.114%0.1436%0.362CS..  trans171.2152.6163.6-73.50000107.4G301 Y629 F631G301-S303 VanDerWaalsContact C-N 3.25Å; G301-S303 PolarHBondContact O-N 3.03Å; G301-S303 VanDerWaalsContact O-N 3.08Å; S303-Y629 CarbonylContact C-O 3.54Å; S303-Y629 WeakPolarHBondContact CA-O 3.19Å; S303-Y629 WeakPolarHBondContact CB-O 3.28Å; S303-Y629 WeakPolarHBondContact OG-CB 3.36Å; S303-Y629 PolarHBondContact OG-O 3.36Å; S303-F631 VanDerWaalsContact OG-CE2 3.23Å; S303-F631 WeakPolarHBondContact OG-CE2 3.41Å
304K57.9Low65.1Low138 Ų13872.5 Ų72.560%0.636%0.355SS*.EExtended strand (participates in β ladder)trans-90.1119.4161.2-67.6-176-177.5177.30108F306 Y629 I630 F631K304-F306 HydrophobicContact CB-CE2 3.9Å; K304-F306 HydrophobicContact CB-CZ 4.23Å; K304-F306 HydrophobicContact CD-CZ 4.36Å; K304-Y629 PolarHBondContact N-O 2.72Å; K304-I630 HydrophobicContact CB-CG1 4.33Å; K304-I630 HydrophobicContact CB-CG2 4.38Å; K304-I630 CarbonylContact O-C 3.45Å; K304-I630 WeakPolarHBondContact O-CA 3.45Å; K304-F631 PolarHBondContact O-N 2.66Å
305Y63.5Low63Low71 Ų7175.5 Ų75.528%0.27837%0.371SS..EExtended strand (participates in β ladder)trans-100.1106.4177.3-63-82.8000109I302 H309 F631I302-Y305 HydrophobicContact CG2-CE2 4.35Å; Y305-H309 HydrophobicContact CD1-CB 4.34Å; Y305-H309 AromaticContact CD1-CD2 3.46Å; Y305-H309 VanDerWaalsContact CD1-CD2 3.46Å; Y305-H309 WeakPolarHBondContact CD1-CD2 3.36Å; Y305-H309 AromaticContact CE1-CD2 3.2Å; Y305-H309 WeakPolarHBondContact CE1-CD2 3.25Å; Y305-H309 AromaticContact CE1-NE2 3.63Å; Y305-H309 HydrophobicContact CG-CB 4.39Å; Y305-H309 AromaticContact CZ-CD2 3.66Å; Y305-H309 AromaticContact CZ-NE2 3.67Å; Y305-F631 HydrophobicContact CD1-CB 3.92Å; Y305-F631 AromaticContact CD1-CD2 3.42Å; Y305-F631 HydrophobicContact CD1-CD2 3.42Å; Y305-F631 VanDerWaalsContact CD1-CD2 3.42Å; Y305-F631 HydrophobicContact CD1-CE2 4.18Å; Y305-F631 AromaticContact CD1-CG 3.86Å; Y305-F631 HydrophobicContact CD1-CG 3.86Å; Y305-F631 HydrophobicContact CE1-CB 4.48Å; Y305-F631 AromaticContact CE1-CD2 3.16Å; Y305-F631 HydrophobicContact CE1-CD2 3.16Å; Y305-F631 AromaticContact CE1-CE2 3.43Å; Y305-F631 HydrophobicContact CE1-CE2 3.43Å; Y305-F631 VanDerWaalsContact CE1-CE2 3.43Å; Y305-F631 AromaticContact CE1-CG 3.92Å; Y305-F631 HydrophobicContact CE1-CG 3.92Å; Y305-F631 HydrophobicContact CE1-CZ 4.39Å; Y305-F631 HydrophobicContact CG-CD2 4.38Å; Y305-F631 AromaticContact CZ-CD2 3.98Å; Y305-F631 AromaticContact CZ-CE2 3.98Å
306F69.4Low60.8Low128 Ų12873.9 Ų73.956%0.56137%0.366SS*.  trans-92.3-19.3167.2-60-73.3000111.2K304 I630 F631 A633K304-F306 HydrophobicContact CB-CE2 3.9Å; K304-F306 HydrophobicContact CB-CZ 4.23Å; K304-F306 HydrophobicContact CD-CZ 4.36Å; F306-I630 HydrophobicContact CD2-CG2 3.79Å; F306-I630 HydrophobicContact CE2-CG2 3.56Å; F306-F631 WeakPolarHBondContact CB-O 3.49Å; F306-F631 PolarHBondContact N-O 3.43Å; F306-A633 HydrophobicContact CB-CB 4.14Å
307I71.3Confident58.6Low11 Ų1177 Ų776%0.05639%0.391CS..SBendtrans-80.9147.6167.2-157173.6000111.8H309 F631 P632 L637 G656I307-H309 PolarHBondContact O-N 3.27Å; I307-F631 HydrophobicContact CG2-CB 3.87Å; I307-P632 WeakPolarHBondContact CB-O 3.16Å; I307-P632 PolarHBondContact N-O 3.03Å; I307-L637 HydrophobicContact CD1-CD1 3.58Å; I307-G656 VanDerWaalsContact CG1-CA 3.41Å
308K67.9Low56.7Low74 Ų7479.5 Ų79.532%0.32241%0.406SS..  trans-59.4125.4171.3-172.2-173.4180-167.50110.1S655 D657 E688K308-S655 CarbonylContact O-C 3.54Å; K308-D657 WeakPolarHBondContact CD-OD2 3.35Å; K308-D657 WeakPolarHBondContact CE-OD2 3.21Å; K308-D657 IonicContact NZ-OD1 2.79Å; K308-D657 PolarHBondContact NZ-OD1 3.05Å; K308-D657 IonicContact NZ-OD2 3.69Å; K308-D657 PolarHBondContact NZ-OD2 3.33Å; K308-E688 IonicContact NZ-OE2 3.93Å
309H58.1Low55.1Low89 Ų8978.8 Ų78.841%0.41240%0.399SS..  trans-105.8-15.9-171.2-174-94.6000113.7Y305 I307 V311Y305-H309 HydrophobicContact CD1-CB 4.34Å; Y305-H309 AromaticContact CD1-CD2 3.46Å; Y305-H309 VanDerWaalsContact CD1-CD2 3.46Å; Y305-H309 WeakPolarHBondContact CD1-CD2 3.36Å; Y305-H309 AromaticContact CE1-CD2 3.2Å; Y305-H309 WeakPolarHBondContact CE1-CD2 3.25Å; Y305-H309 AromaticContact CE1-NE2 3.63Å; Y305-H309 HydrophobicContact CG-CB 4.39Å; Y305-H309 AromaticContact CZ-CD2 3.66Å; Y305-H309 AromaticContact CZ-NE2 3.67Å; I307-H309 PolarHBondContact O-N 3.27Å; H309-V311 PolarHBondContact O-N 3.33Å
310E58.5Low53.4Low144 Ų14482.2 Ų82.267%0.67342%0.421SS*.  trans-72106.1-173.7-72.2-169.1168.500112.2K312E310-K312 PolarHBondContact O-N 3.04Å
311V54.5Low52.2Low29 Ų2981.5 Ų81.518%0.17643%0.426CS..  trans-69.286.6157.1-173.10000106.9H309 K313 L477 R480 L481H309-V311 PolarHBondContact O-N 3.33Å; V311-K313 PolarHBondContact O-N 3.04Å; V311-L477 HydrophobicContact CG2-CD1 4Å; V311-R480 PolarHBondContact O-NH2 3.06Å; V311-L481 HydrophobicContact CG2-CD2 4.36Å
312K52.4Low51.4Low104 Ų10483 Ų8345%0.45243%0.426SS..  trans-43.9136.5170.4-75.9178.7175.5173.30108E310 T314 E688E310-K312 PolarHBondContact O-N 3.04Å; K312-T314 PolarHBondContact O-N 3.28Å; K312-E688 WeakPolarHBondContact CD-OE1 2.85Å; K312-E688 WeakPolarHBondContact CE-OE1 3.5Å; K312-E688 IonicContact NZ-OE1 2.72Å; K312-E688 PolarHBondContact NZ-OE1 2.83Å; K312-E688 IonicContact NZ-OE2 3.48Å; K312-E688 PolarHBondContact NZ-OE2 2.81Å
313K45.7Very low50.6Low186 Ų18683.9 Ų83.981%0.80944%0.436SS*.  trans-48.9102.9-179.4-78.6-179.7178.4175.20108.1V311 I315V311-K313 PolarHBondContact O-N 3.04Å; K313-I315 PolarHBondContact O-N 2.97Å; K313-I315 VanDerWaalsContact O-N 3.1Å
314T43.9Very low49.7Very low35 Ų3587.4 Ų87.422%0.21545%0.454CS..  trans-59.4120.4167.60.30000104.8K312 S316 R484 E487 F488K312-T314 PolarHBondContact O-N 3.28Å; T314-S316 PolarHBondContact O-N 3.26Å; T314-R484 HydrophobicContact CG2-CB 3.86Å; T314-R484 HydrophobicContact CG2-CG 3.89Å; T314-E487 WeakPolarHBondContact CG2-OE2 3.48Å; T314-F488 HydrophobicContact CG2-CE2 4.04Å
315I43.8Very low48.7Very low82 Ų8284.7 Ų84.742%0.42145%0.451SS..  trans-68.197.3-178.1-59.9177.2000103.9K313 A317K313-I315 PolarHBondContact O-N 2.97Å; K313-I315 VanDerWaalsContact O-N 3.1Å; I315-A317 HydrophobicContact CB-CB 4.47Å; I315-A317 HydrophobicContact CG2-CB 3.48Å; I315-A317 VanDerWaalsContact CG2-CB 3.48Å; I315-A317 PolarHBondContact O-N 3.17Å
316S42Very low47.4Very low56 Ų5683.7 Ų83.739%0.39245%0.452SS..  trans-47.790.9144-176.30000104.6T314 P320T314-S316 PolarHBondContact O-N 3.26Å; S316-P320 VanDerWaalsContact C-CD 3.47Å; S316-P320 WeakPolarHBondContact O-CD 3.31Å; S316-P320 WeakPolarHBondContact O-CG 3.32Å; S316-P320 WeakPolarHBondContact OG-CB 3.32Å; S316-P320 WeakPolarHBondContact OG-CD 3.18Å
317A40.9Very low46.1Very low77 Ų7778.4 Ų78.464%0.63643%0.429SS*.  trans-99.7-15176.700000110I315I315-A317 HydrophobicContact CB-CB 4.47Å; I315-A317 HydrophobicContact CG2-CB 3.48Å; I315-A317 VanDerWaalsContact CG2-CB 3.48Å; I315-A317 PolarHBondContact O-N 3.17Å
318L43.3Very low44.8Very low129 Ų12982.5 Ų82.568%0.67545%0.446SS*.SBendtrans-103.4-8.8179.3-79.8153.3000113.3
319L45.5Very low43.4Very low42 Ų4282.4 Ų82.422%0.2245%0.452CS..SBendtrans-142.49.8-175.2-78.3174.6000120.3F327L319-F327 HydrophobicContact CD1-CE2 4.33Å; L319-F327 HydrophobicContact CD2-CD2 3.85Å; L319-F327 HydrophobicContact CD2-CE2 3.32Å; L319-F327 HydrophobicContact CD2-CZ 4.32Å; L319-F327 HydrophobicContact CG-CE2 4.44Å
320P37.7Very low42.6Very low78 Ų7879.7 Ų79.751%0.50644%0.442SS..SBendtrans-104.615.3-179.744.8-38.7000115.1S316S316-P320 VanDerWaalsContact C-CD 3.47Å; S316-P320 WeakPolarHBondContact O-CD 3.31Å; S316-P320 WeakPolarHBondContact O-CG 3.32Å; S316-P320 WeakPolarHBondContact OG-CB 3.32Å; S316-P320 WeakPolarHBondContact OG-CD 3.18Å
321T34.5Very low42Very low125 Ų12573.6 Ų73.677%0.76741%0.414SS*.SBendtrans-111.98.5175.551.30000113.9P323T321-P323 WeakPolarHBondContact O-CD 3.27Å
322L36Very low41.4Very low63 Ų6377.5 Ų77.533%0.3343%0.426SS..SBendtrans-98.6107164.6-68.2169.4000106.6N324 V326 F327 V330L322-N324 PolarHBondContact O-N 2.82Å; L322-V326 HydrophobicContact CB-CB 4Å; L322-V326 HydrophobicContact CD2-CB 3.57Å; L322-V326 HydrophobicContact CD2-CG1 3.27Å; L322-V326 HydrophobicContact CD2-CG2 4.44Å; L322-V326 HydrophobicContact CG-CB 4.33Å; L322-V326 HydrophobicContact CG-CG1 4.41Å; L322-F327 HydrophobicContact CB-CB 4.38Å; L322-F327 HydrophobicContact CD1-CD2 4.27Å; L322-V330 HydrophobicContact CD1-CG2 4.34Å
323P37.6Very low40.8Very low80 Ų8075 Ų7552%0.51942%0.422SS..  trans-50.9148.4169.26.3-10.6000108.5T321 C325 V326 F327T321-P323 WeakPolarHBondContact O-CD 3.27Å; P323-C325 CarbonylContact O-C 3.44Å; P323-C325 PolarHBondContact O-N 3.03Å; P323-V326 HydrophobicContact CG-CG2 3.8Å; P323-V326 PolarHBondContact O-N 2.89Å; P323-F327 PolarHBondContact O-N 2.91Å
324N39.6Very low40.6Very low95 Ų9566.5 Ų66.551%0.50839%0.386SS..Hα-helixtrans-44.8-27.2-175.4-85.3-18.1000113.9L322 K328 R375L322-N324 PolarHBondContact O-N 2.82Å; N324-K328 WeakPolarHBondContact O-CB 3.29Å; N324-K328 PolarHBondContact O-N 3.14Å; N324-R375 PolarHBondContact OD1-NH1 3.05Å
325C36.5Very low40.5Very low81 Ų8167.5 Ų67.555%0.54739%0.392SS..Hα-helixtrans-67.4-36.5172.457.70000114.8P323 K328 T329P323-C325 CarbonylContact O-C 3.44Å; P323-C325 PolarHBondContact O-N 3.03Å; C325-K328 WeakPolarHBondContact O-CB 3.12Å; C325-T329 PolarHBondContact O-N 2.66Å; C325-T329 VanDerWaalsContact O-N 3.12Å; C325-T329 PolarHBondContact O-OG1 3.42Å
326V36.9Very low40.2Very low50 Ų5068.3 Ų68.330%0.30340%0.396SS..Hα-helixtrans-82.6-34-178.8-158.80000111.5L322 P323 K328 T329 V330L322-V326 HydrophobicContact CB-CB 4Å; L322-V326 HydrophobicContact CD2-CB 3.57Å; L322-V326 HydrophobicContact CD2-CG1 3.27Å; L322-V326 HydrophobicContact CD2-CG2 4.44Å; L322-V326 HydrophobicContact CG-CB 4.33Å; L322-V326 HydrophobicContact CG-CG1 4.41Å; P323-V326 HydrophobicContact CG-CG2 3.8Å; P323-V326 PolarHBondContact O-N 2.89Å; V326-K328 VanDerWaalsContact C-N 3.33Å; V326-T329 CarbonylContact O-C 3.55Å; V326-T329 PolarHBondContact O-N 2.74Å; V326-T329 VanDerWaalsContact O-N 3.12Å; V326-V330 HydrophobicContact CG1-CG2 4.42Å; V326-V330 WeakPolarHBondContact O-CB 3.26Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.39Å; V326-V330 PolarHBondContact O-N 3.24Å
327F42.4Very low39.9Very low16 Ų1672.7 Ų72.77%0.0741%0.41CS..Hα-helixtrans-65.2-38.8170-158.9-98.2000111.3L319 L322 P323 T329 V330 L331 Y371L319-F327 HydrophobicContact CD1-CE2 4.33Å; L319-F327 HydrophobicContact CD2-CD2 3.85Å; L319-F327 HydrophobicContact CD2-CE2 3.32Å; L319-F327 HydrophobicContact CD2-CZ 4.32Å; L319-F327 HydrophobicContact CG-CE2 4.44Å; L322-F327 HydrophobicContact CB-CB 4.38Å; L322-F327 HydrophobicContact CD1-CD2 4.27Å; P323-F327 PolarHBondContact O-N 2.91Å; F327-T329 VanDerWaalsContact C-N 3.32Å; F327-T329 PolarHBondContact O-N 3.46Å; F327-V330 PolarHBondContact O-N 2.89Å; F327-L331 HydrophobicContact CE1-CD1 3.96Å; F327-L331 HydrophobicContact CZ-CD1 4.23Å; F327-L331 WeakPolarHBondContact O-CB 3.32Å; F327-L331 PolarHBondContact O-N 2.88Å; F327-Y371 HydrophobicContact CD1-CD1 4.34Å; F327-Y371 AromaticContact CD1-CE1 3.55Å; F327-Y371 HydrophobicContact CD1-CE1 3.55Å; F327-Y371 AromaticContact CE1-CD1 3.59Å; F327-Y371 HydrophobicContact CE1-CD1 3.59Å; F327-Y371 AromaticContact CE1-CE1 3.27Å; F327-Y371 HydrophobicContact CE1-CE1 3.27Å; F327-Y371 HydrophobicContact CG-CE1 4.35Å; F327-Y371 AromaticContact CZ-CD1 3.93Å; F327-Y371 HydrophobicContact CZ-CD1 3.93Å; F327-Y371 AromaticContact CZ-CE1 3.9Å; F327-Y371 HydrophobicContact CZ-CE1 3.9Å
328K42.6Very low39.6Very low97 Ų9775.9 Ų75.942%0.42243%0.425SS..Hα-helixtrans-54.5-45.7167.1-94.3-176.6172.8-174.70111.8N324 C325 V326 Y332N324-K328 WeakPolarHBondContact O-CB 3.29Å; N324-K328 PolarHBondContact O-N 3.14Å; C325-K328 WeakPolarHBondContact O-CB 3.12Å; V326-K328 VanDerWaalsContact C-N 3.33Å; K328-Y332 WeakPolarHBondContact O-CB 3.34Å; K328-Y332 PolarHBondContact O-N 2.83Å
329T39.5Very low39.2Very low72 Ų7272.8 Ų72.844%0.44242%0.417SS..Hα-helixtrans-70.9-32179.8-51.60000113.8C325 V326 F327 Y332 S333C325-T329 PolarHBondContact O-N 2.66Å; C325-T329 VanDerWaalsContact O-N 3.12Å; C325-T329 PolarHBondContact O-OG1 3.42Å; V326-T329 CarbonylContact O-C 3.55Å; V326-T329 PolarHBondContact O-N 2.74Å; V326-T329 VanDerWaalsContact O-N 3.12Å; F327-T329 VanDerWaalsContact C-N 3.32Å; F327-T329 PolarHBondContact O-N 3.46Å; T329-Y332 HydrophobicContact CG2-CD1 4.41Å; T329-Y332 WeakPolarHBondContact O-CB 3.18Å; T329-S333 PolarHBondContact O-N 3.15Å; T329-S333 PolarHBondContact O-OG 2.74Å
330V41.2Very low38.9Very low32 Ų3278.7 Ų78.719%0.19444%0.443CS..Hα-helixtrans-78-40.3179.7171.70000111.6L322 V326 F327 Y332 S333 T334L322-V330 HydrophobicContact CD1-CG2 4.34Å; V326-V330 HydrophobicContact CG1-CG2 4.42Å; V326-V330 WeakPolarHBondContact O-CB 3.26Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.39Å; V326-V330 PolarHBondContact O-N 3.24Å; F327-V330 PolarHBondContact O-N 2.89Å; V330-Y332 VanDerWaalsContact C-N 3.32Å; V330-S333 PolarHBondContact O-OG 2.89Å; V330-T334 PolarHBondContact O-OG1 3.17Å
331L44.7Very low38.6Very low17 Ų1784 Ų849%0.08946%0.461CS..Hα-helixtrans-67.3-36168.8-137.991.5000111.1F327 S333 T334 V335 L349 L372F327-L331 HydrophobicContact CE1-CD1 3.96Å; F327-L331 HydrophobicContact CZ-CD1 4.23Å; F327-L331 WeakPolarHBondContact O-CB 3.32Å; F327-L331 PolarHBondContact O-N 2.88Å; L331-S333 PolarHBondContact O-N 3.02Å; L331-T334 VanDerWaalsContact CA-OG1 3.32Å; L331-T334 WeakPolarHBondContact CA-OG1 3.3Å; L331-T334 PolarHBondContact O-N 3.05Å; L331-T334 PolarHBondContact O-OG1 3.49Å; L331-V335 HydrophobicContact CG-CG2 4.45Å; L331-V335 WeakPolarHBondContact O-CG2 3.42Å; L331-V335 PolarHBondContact O-N 3.08Å; L331-L349 HydrophobicContact CD1-CD2 3.76Å; L331-L372 HydrophobicContact CD1-CD2 4.27Å; L331-L372 HydrophobicContact CD2-CD2 4.13Å
332Y42Very low38.5Very low111 Ų11183.3 Ų83.344%0.43546%0.461SS..Hα-helixtrans-63.1-35177.4166.7-111.6000114.1W86 K328 T329 V330W86-Y332 AromaticContact CD1-CD2 3.51Å; W86-Y332 AromaticContact CD1-CE2 3.02Å; W86-Y332 AromaticContact CD1-CZ 3.7Å; W86-Y332 HydrophobicContact CG-CE2 4.11Å; W86-Y332 AromaticContact NE1-CD2 2.98Å; W86-Y332 AromaticContact NE1-CE2 3Å; W86-Y332 AromaticContact NE1-CG 3.7Å; W86-Y332 AromaticContact NE1-CZ 3.69Å; K328-Y332 WeakPolarHBondContact O-CB 3.34Å; K328-Y332 PolarHBondContact O-N 2.83Å; T329-Y332 HydrophobicContact CG2-CD1 4.41Å; T329-Y332 WeakPolarHBondContact O-CB 3.18Å; V330-Y332 VanDerWaalsContact C-N 3.32Å
333S40.1Very low38.5Very low51 Ų5184.5 Ų84.536%0.35748%0.48SS..Hα-helixtrans-84.3-13.1178.443.70000113.8T329 V330 L331 P346T329-S333 PolarHBondContact O-N 3.15Å; T329-S333 PolarHBondContact O-OG 2.74Å; V330-S333 PolarHBondContact O-OG 2.89Å; L331-S333 PolarHBondContact O-N 3.02Å; S333-P346 WeakPolarHBondContact OG-CB 3.07Å
334T41Very low38.6Very low8 Ų890 Ų905%0.04950%0.499CS..Hα-helixtrans-97.2-35.1-178.926.80000113.8V330 L331 P346 Q350V330-T334 PolarHBondContact O-OG1 3.17Å; L331-T334 VanDerWaalsContact CA-OG1 3.32Å; L331-T334 WeakPolarHBondContact CA-OG1 3.3Å; L331-T334 PolarHBondContact O-N 3.05Å; L331-T334 PolarHBondContact O-OG1 3.49Å; T334-P346 VanDerWaalsContact CG2-C 3.46Å; T334-P346 HydrophobicContact CG2-CB 4.13Å; T334-P346 WeakPolarHBondContact CG2-O 3.35Å; T334-Q350 HydrophobicContact CG2-CB 3.84Å; T334-Q350 PolarHBondContact O-OE1 2.86Å
335V41.9Very low39Very low56 Ų5687.7 Ų87.734%0.33950%0.497SS..Hα-helixtrans-93.7-15-167.5-178.70000113.4L331 F718L331-V335 HydrophobicContact CG-CG2 4.45Å; L331-V335 WeakPolarHBondContact O-CG2 3.42Å; L331-V335 PolarHBondContact O-N 3.08Å; V335-F718 HydrophobicContact CG1-CE1 4.24Å
336L38.1Very low39.3Very low99 Ų9985.7 Ų85.752%0.51848%0.484SS..SBendtrans-130.9-12.1-169-71.3166.6000118.4
337E35.5Very low39.7Very low148 Ų14888.4 Ų88.469%0.69250%0.496SS*.  trans-144.4126.1173.6-79.9-170163.900113.4A339E337-A339 VanDerWaalsContact C-N 3.34Å
338P34.6Very low40.5Very low144 Ų14491.3 Ų91.394%0.93552%0.518SS*.  trans-82.11.1172.8-9.225.8000115.2
339A35Very low41.5Very low63 Ų6387.9 Ų87.952%0.52150%0.504SS..SBendtrans-109.1104.9-162.500000113E337E337-A339 VanDerWaalsContact C-N 3.34Å
340H39.2Very low42.8Very low166 Ų16687.1 Ų87.177%0.76950%0.496SS*.  trans60.295.4157.9-56.8-71.1000116.9
341H32Very low44.5Very low190 Ų19091.8 Ų91.888%0.8851%0.513SS*.  trans-159.7155.7131.1-81.2-47.2000110.1
342S32.1Very low46.2Very low110 Ų11092.5 Ų92.577%0.76952%0.517SS*.  trans-51.1149.2-159.942.70000117.8
343A36.9Very low48.1Very low88 Ų8887.7 Ų87.773%0.72750%0.499SS*.SBendtrans-55.5151.3-179.400000114.2
344E38.5Very low50.3Low197 Ų19790.4 Ų90.492%0.92151%0.506SS*.SBendtrans87.774.4176.8-54-176.9-177.200115.3
345G49.3Very low52.5Low45 Ų4591.6 Ų91.646%0.46451%0.514SS..SBendtrans163.1-56.7161.800000117.2S348G345-S348 PolarHBondContact O-OG 2.78Å
346P41.4Very low54.8Low40 Ų4094.1 Ų94.126%0.2653%0.532SS..SBendtrans-90.4-42.4-173.2-12.529.9000114.5S333 T334 S348 L349S333-P346 WeakPolarHBondContact OG-CB 3.07Å; T334-P346 VanDerWaalsContact CG2-C 3.46Å; T334-P346 HydrophobicContact CG2-CB 4.13Å; T334-P346 WeakPolarHBondContact CG2-O 3.35Å; P346-S348 PolarHBondContact O-N 3.28Å; P346-L349 PolarHBondContact O-N 3.03Å
347L45.3Very low57.3Low107 Ų10791.7 Ų91.756%0.5652%0.519SS*.Hα-helixtrans-56.9-10.2-177.8-91.7148.9000115.4K351L347-K351 WeakPolarHBondContact O-CD 3.03Å; L347-K351 WeakPolarHBondContact O-CG 3.48Å
348S59.4Low60.1Low76 Ų7686.3 Ų86.353%0.53150%0.498SS..Hα-helixtrans-85.5-32.2-18053.10000114.2G345 P346 L352G345-S348 PolarHBondContact O-OG 2.78Å; P346-S348 PolarHBondContact O-N 3.28Å; S348-L352 VanDerWaalsContact O-CB 3.28Å; S348-L352 WeakPolarHBondContact O-CB 3.19Å; S348-L352 PolarHBondContact O-N 2.87Å
349L64.4Low62.8Low25 Ų2582 Ų8213%0.13146%0.463CS..Hα-helixtrans-79.4-41.2-172.5-163.878.1000112.6L331 P346 L352 L353 T368L331-L349 HydrophobicContact CD1-CD2 3.76Å; P346-L349 PolarHBondContact O-N 3.03Å; L349-L352 HydrophobicContact CD1-CD2 4.26Å; L349-L352 WeakPolarHBondContact O-CB 3.32Å; L349-L352 PolarHBondContact O-N 3.38Å; L349-L353 WeakPolarHBondContact O-CG 3.4Å; L349-L353 PolarHBondContact O-N 2.91Å; L349-T368 HydrophobicContact CD1-CG2 3.88Å; L349-T368 HydrophobicContact CD2-CG2 4.35Å; L349-T368 HydrophobicContact CG-CG2 4.25Å
350Q66.4Low65.5Low57 Ų5785 Ų8527%0.26647%0.466SS..Hα-helixtrans-62.4-47.3173.4-169.5-1722.900110.4T334 L352 L353 E354T334-Q350 HydrophobicContact CG2-CB 3.84Å; T334-Q350 PolarHBondContact O-OE1 2.86Å; Q350-L352 PolarHBondContact O-N 2.83Å; Q350-L353 PolarHBondContact O-N 2.87Å; Q350-L353 VanDerWaalsContact O-N 3.14Å; Q350-E354 HydrophobicContact CG-CG 4.31Å; Q350-E354 WeakPolarHBondContact CG-OE1 3.43Å; Q350-E354 PolarHBondContact NE2-OE1 3.38Å; Q350-E354 WeakPolarHBondContact O-CB 3.37Å; Q350-E354 WeakPolarHBondContact O-CG 3.43Å; Q350-E354 PolarHBondContact O-N 3.37Å
351K75.8Confident67.9Low129 Ų12977.9 Ų77.956%0.56143%0.434SS*.Hα-helixtrans-58-38.1174.8-71.9-177-171.7-178.60112L347 S355L347-K351 WeakPolarHBondContact O-CD 3.03Å; L347-K351 WeakPolarHBondContact O-CG 3.48Å; K351-S355 WeakPolarHBondContact O-CB 3.39Å; K351-S355 PolarHBondContact O-N 3.22Å; K351-S355 PolarHBondContact O-OG 3.43Å
352L81.6Confident70.7Confident33 Ų3368.9 Ų68.917%0.17339%0.392CS..Hα-helixtrans-62.4-48.6174.8177.669.3000111.6S348 L349 Q350 S355 N361 E364 K365S348-L352 VanDerWaalsContact O-CB 3.28Å; S348-L352 WeakPolarHBondContact O-CB 3.19Å; S348-L352 PolarHBondContact O-N 2.87Å; L349-L352 HydrophobicContact CD1-CD2 4.26Å; L349-L352 WeakPolarHBondContact O-CB 3.32Å; L349-L352 PolarHBondContact O-N 3.38Å; Q350-L352 PolarHBondContact O-N 2.83Å; L352-S355 PolarHBondContact O-N 2.94Å; L352-S355 PolarHBondContact O-OG 2.95Å; L352-N361 HydrophobicContact CD1-CB 3.73Å; L352-E364 HydrophobicContact CD1-CB 4.23Å; L352-E364 HydrophobicContact CD2-CB 3.85Å; L352-K365 HydrophobicContact CD1-CB 4.28Å; L352-K365 HydrophobicContact CG-CB 4.34Å
353L82.5Confident73.4Confident10 Ų1064.4 Ų64.45%0.05236%0.36CS..Hα-helixtrans-66.9-40.1-179.5-69.7172.8000112.4L349 Q350 K365 T368 L369 L372 Y722L349-L353 WeakPolarHBondContact O-CG 3.4Å; L349-L353 PolarHBondContact O-N 2.91Å; Q350-L353 PolarHBondContact O-N 2.87Å; Q350-L353 VanDerWaalsContact O-N 3.14Å; L353-K365 VanDerWaalsContact O-CE 3.3Å; L353-K365 WeakPolarHBondContact O-CE 3.19Å; L353-K365 PolarHBondContact O-NZ 2.95Å; L353-T368 HydrophobicContact CD1-CG2 4.31Å; L353-T368 HydrophobicContact CD2-CG2 3.9Å; L353-T368 HydrophobicContact CG-CG2 4.32Å; L353-L369 HydrophobicContact CD2-CD2 3.68Å; L353-L369 HydrophobicContact CD2-CG 4.02Å; L353-L372 HydrophobicContact CD1-CD1 4.31Å; L353-Y722 HydrophobicContact CB-CD1 3.92Å; L353-Y722 HydrophobicContact CB-CD2 3.92Å; L353-Y722 HydrophobicContact CB-CE1 3.87Å; L353-Y722 HydrophobicContact CB-CE2 3.88Å; L353-Y722 HydrophobicContact CB-CG 3.97Å; L353-Y722 HydrophobicContact CD1-CD2 4.07Å; L353-Y722 HydrophobicContact CD1-CE2 3.74Å; L353-Y722 HydrophobicContact CD2-CD2 4.11Å; L353-Y722 HydrophobicContact CD2-CG 4.43Å; L353-Y722 HydrophobicContact CG-CD2 4.27Å; L353-Y722 HydrophobicContact CG-CE2 4.29Å; L353-Y722 WeakPolarHBondContact O-CD1 3.3Å
354E84.4Confident75.7Confident107 Ų10763.6 Ų63.650%0.534%0.342SS..Hα-helixtrans-74.5-25.1176.8-69.7174.1174.600113.1Q350 Y722Q350-E354 HydrophobicContact CG-CG 4.31Å; Q350-E354 WeakPolarHBondContact CG-OE1 3.43Å; Q350-E354 PolarHBondContact NE2-OE1 3.38Å; Q350-E354 WeakPolarHBondContact O-CB 3.37Å; Q350-E354 WeakPolarHBondContact O-CG 3.43Å; Q350-E354 PolarHBondContact O-N 3.37Å; E354-Y722 HydrophobicContact CG-CE1 4.07Å
355S87.6Confident78.1Confident33 Ų3354.8 Ų54.823%0.23130%0.3CS..SBendtrans-66.1140.5177.467.60000111.1K351 L352 N361 K365K351-S355 WeakPolarHBondContact O-CB 3.39Å; K351-S355 PolarHBondContact O-N 3.22Å; K351-S355 PolarHBondContact O-OG 3.43Å; L352-S355 PolarHBondContact O-N 2.94Å; L352-S355 PolarHBondContact O-OG 2.95Å; S355-N361 PolarHBondContact OG-ND2 3.49Å; S355-K365 PolarHBondContact O-NZ 2.9Å
356P90.3Very high80.1Confident110 Ų11053.1 Ų53.171%0.71428%0.28SS*.PPolyproline II helixtrans-59.6148.1174.726.9-34.4000110S358 N361P356-S358 PolarHBondContact O-N 2.98Å; P356-N361 PolarHBondContact O-ND2 3.07Å
357L91.9Very high82.2Confident47 Ų4752.5 Ų52.525%0.24627%0.274CS..PPolyproline II helixtrans-65.6123.9179.3-17274.8000110Y362 K365 F366 F499L357-Y362 HydrophobicContact CD1-CD2 4.08Å; L357-Y362 HydrophobicContact CD2-CD2 4.15Å; L357-Y362 HydrophobicContact CD2-CE2 4.19Å; L357-Y362 HydrophobicContact CG-CD2 4.23Å; L357-K365 HydrophobicContact CD1-CB 4.32Å; L357-K365 HydrophobicContact CD1-CD 3.97Å; L357-K365 HydrophobicContact CD1-CG 4.43Å; L357-F366 HydrophobicContact CD1-CD2 4.1Å; L357-F366 HydrophobicContact CD1-CE2 3.81Å; L357-F366 HydrophobicContact CD1-CZ 4.46Å; L357-F366 HydrophobicContact CD2-CE2 3.61Å; L357-F366 HydrophobicContact CD2-CZ 3.93Å; L357-F366 HydrophobicContact CG-CE2 4.36Å; L357-F499 HydrophobicContact CD2-CZ 4.45Å; L357-F499 HydrophobicContact CG-CZ 4.28Å
358S92.6Very high84Confident36 Ų3647.7 Ų47.725%0.25225%0.249SC..  trans-131.3171.1176.986.40000110P356 E360 N361 Y362P356-S358 PolarHBondContact O-N 2.98Å; S358-E360 VanDerWaalsContact CB-OE2 3.27Å; S358-E360 WeakPolarHBondContact CB-OE2 3.34Å; S358-E360 PolarHBondContact O-N 3.49Å; S358-E360 PolarHBondContact OG-N 2.75Å; S358-E360 PolarHBondContact OG-OE2 2.94Å; S358-N361 PolarHBondContact N-OD1 3.36Å; S358-N361 PolarHBondContact O-OD1 3.18Å; S358-Y362 WeakPolarHBondContact O-CA 2.84Å; S358-Y362 WeakPolarHBondContact O-CB 3.4Å; S358-Y362 PolarHBondContact O-N 2.91Å; S358-Y362 VanDerWaalsContact O-N 3.11Å
359W92.9Very high85.2Confident52 Ų5244.2 Ų44.220%0.19722%0.224CC..THydrogen-bonded Turntrans-64.8-32.8177.1178.5-118.8000112.2A489 R490 L494 L498 F499W359-A489 WeakPolarHBondContact CH2-O 3.24Å; W359-R490 HydrophobicContact CH2-CB 4.39Å; W359-R490 HydrophobicContact CZ2-CB 4.17Å; W359-R490 HydrophobicContact CZ2-CG 4.03Å; W359-L494 HydrophobicContact CH2-CB 4.5Å; W359-L498 HydrophobicContact CZ3-CD1 4.11Å; W359-F499 HydrophobicContact CB-CD2 4.12Å; W359-F499 HydrophobicContact CB-CE2 4.31Å; W359-F499 HydrophobicContact CB-CG 4.29Å; W359-F499 HydrophobicContact CD2-CD2 4.38Å; W359-F499 AromaticContact CE3-CD2 3.63Å; W359-F499 HydrophobicContact CE3-CD2 3.63Å; W359-F499 AromaticContact CE3-CE2 3.78Å; W359-F499 HydrophobicContact CE3-CE2 3.78Å; W359-F499 HydrophobicContact CZ3-CD2 4.44Å
360E90.3Very high86.3Confident126 Ų12643.1 Ų43.159%0.58922%0.219SC*.THydrogen-bonded Turntrans-71-31.1-177-61.769.6-15000113.1S358S358-E360 VanDerWaalsContact CB-OE2 3.27Å; S358-E360 WeakPolarHBondContact CB-OE2 3.34Å; S358-E360 PolarHBondContact O-N 3.49Å; S358-E360 PolarHBondContact OG-N 2.75Å; S358-E360 PolarHBondContact OG-OE2 2.94Å
361N89.8Confident87Confident18 Ų1841.7 Ų41.710%0.09621%0.211CC..THydrogen-bonded Turntrans-108.12.8-17873.210.4000113.6L352 S355 P356 S358 T363 E364 K365L352-N361 HydrophobicContact CD1-CB 3.73Å; S355-N361 PolarHBondContact OG-ND2 3.49Å; P356-N361 PolarHBondContact O-ND2 3.07Å; S358-N361 PolarHBondContact N-OD1 3.36Å; S358-N361 PolarHBondContact O-OD1 3.18Å; N361-T363 PolarHBondContact O-N 3.25Å; N361-E364 PolarHBondContact O-N 3.15Å; N361-K365 WeakPolarHBondContact O-CB 3.28Å; N361-K365 PolarHBondContact O-N 3.26Å
362Y91.1Very high87.1Confident0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-56.3-53.9-169.9-173.6-94.1000113L357 S358 F366 A489 L498 F499 E676 L680L357-Y362 HydrophobicContact CD1-CD2 4.08Å; L357-Y362 HydrophobicContact CD2-CD2 4.15Å; L357-Y362 HydrophobicContact CD2-CE2 4.19Å; L357-Y362 HydrophobicContact CG-CD2 4.23Å; S358-Y362 WeakPolarHBondContact O-CA 2.84Å; S358-Y362 WeakPolarHBondContact O-CB 3.4Å; S358-Y362 PolarHBondContact O-N 2.91Å; S358-Y362 VanDerWaalsContact O-N 3.11Å; Y362-F366 HydrophobicContact CD1-CD2 4.3Å; Y362-F366 AromaticContact CD2-CD2 3.97Å; Y362-F366 HydrophobicContact CD2-CD2 3.97Å; Y362-F366 AromaticContact CD2-CE2 3.89Å; Y362-F366 HydrophobicContact CD2-CE2 3.89Å; Y362-F366 HydrophobicContact CE1-CD2 4.01Å; Y362-F366 HydrophobicContact CE1-CE2 4.42Å; Y362-F366 AromaticContact CE2-CD2 3.74Å; Y362-F366 HydrophobicContact CE2-CD2 3.74Å; Y362-F366 AromaticContact CE2-CE2 3.4Å; Y362-F366 HydrophobicContact CE2-CE2 3.4Å; Y362-F366 HydrophobicContact CG-CD2 4.27Å; Y362-F366 AromaticContact CZ-CD2 3.73Å; Y362-F366 AromaticContact CZ-CE2 3.68Å; Y362-F366 WeakPolarHBondContact O-CD2 3.35Å; Y362-F366 PolarHBondContact O-N 2.88Å; Y362-F366 VanDerWaalsContact O-N 3.12Å; Y362-A489 HydrophobicContact CD1-CB 4.23Å; Y362-A489 HydrophobicContact CE1-CB 4.06Å; Y362-L498 HydrophobicContact CE1-CD1 3.98Å; Y362-L498 HydrophobicContact CE2-CD1 4.45Å; Y362-F499 AromaticContact CD2-CE2 3.44Å; Y362-F499 HydrophobicContact CD2-CE2 3.44Å; Y362-F499 VanDerWaalsContact CD2-CE2 3.44Å; Y362-F499 AromaticContact CD2-CZ 3.68Å; Y362-F499 HydrophobicContact CD2-CZ 3.68Å; Y362-F499 AromaticContact CE2-CE2 3.88Å; Y362-F499 HydrophobicContact CE2-CE2 3.88Å; Y362-F499 HydrophobicContact CE2-CZ 4.26Å; Y362-F499 HydrophobicContact CG-CE2 4.16Å; Y362-E676 VanDerWaalsContact CE2-OE1 3.24Å; Y362-E676 WeakPolarHBondContact CE2-OE1 3.22Å; Y362-E676 PolarHBondContact OH-OE1 3.22Å; Y362-L680 HydrophobicContact CE1-CD1 4.42Å; Y362-L680 HydrophobicContact CE1-CD2 3.71Å; Y362-L680 WeakPolarHBondContact OH-CD1 3.3Å; Y362-L680 WeakPolarHBondContact OH-CD2 3.3Å
363T89.3Confident87.1Confident16 Ų1635.2 Ų35.210%0.09818%0.182CC..Hα-helixtrans-65.6-48.8-176.4-67.90000110.6N361 Q367 A486N361-T363 PolarHBondContact O-N 3.25Å; T363-Q367 HydrophobicContact CG2-CG 4.45Å; T363-Q367 VanDerWaalsContact O-CB 3.3Å; T363-Q367 WeakPolarHBondContact O-CB 3.23Å; T363-Q367 VanDerWaalsContact O-CG 3.29Å; T363-Q367 WeakPolarHBondContact O-CG 3.2Å; T363-Q367 PolarHBondContact O-N 3.43Å; T363-A486 WeakPolarHBondContact CG2-O 3.34Å; T363-A486 PolarHBondContact OG1-O 3.32Å
364E85.2Confident87Confident71 Ų7135 Ų3533%0.33218%0.181SC..Hα-helixtrans-65.6-43-176.4-64.279-175.900111.5L352 N361 T368L352-E364 HydrophobicContact CD1-CB 4.23Å; L352-E364 HydrophobicContact CD2-CB 3.85Å; N361-E364 PolarHBondContact O-N 3.15Å; E364-T368 WeakPolarHBondContact O-CB 3.44Å; E364-T368 PolarHBondContact O-N 3.37Å; E364-T368 PolarHBondContact O-OG1 2.98Å
365K88.6Confident86.5Confident13 Ų1332.7 Ų32.76%0.05717%0.168CC..Hα-helixtrans-66.1-50.6-179.9-172.4169.5-178.9176.40111L352 L353 S355 L357 N361 T368 L369L352-K365 HydrophobicContact CD1-CB 4.28Å; L352-K365 HydrophobicContact CG-CB 4.34Å; L353-K365 VanDerWaalsContact O-CE 3.3Å; L353-K365 WeakPolarHBondContact O-CE 3.19Å; L353-K365 PolarHBondContact O-NZ 2.95Å; S355-K365 PolarHBondContact O-NZ 2.9Å; L357-K365 HydrophobicContact CD1-CB 4.32Å; L357-K365 HydrophobicContact CD1-CD 3.97Å; L357-K365 HydrophobicContact CD1-CG 4.43Å; N361-K365 WeakPolarHBondContact O-CB 3.28Å; N361-K365 PolarHBondContact O-N 3.26Å; K365-T368 WeakPolarHBondContact O-CB 3.27Å; K365-T368 PolarHBondContact O-N 3.37Å; K365-L369 HydrophobicContact CG-CD1 4.03Å; K365-L369 WeakPolarHBondContact O-CG 3.49Å; K365-L369 PolarHBondContact O-N 3.43Å
366F90.8Very high85.7Confident10 Ų1032.5 Ų32.54%0.04416%0.163CC..Hα-helixtrans-67.6-37.1179.5-84.9-59.9000113.5L357 Y362 T368 L369 L370 A486 E676 T677L357-F366 HydrophobicContact CD1-CD2 4.1Å; L357-F366 HydrophobicContact CD1-CE2 3.81Å; L357-F366 HydrophobicContact CD1-CZ 4.46Å; L357-F366 HydrophobicContact CD2-CE2 3.61Å; L357-F366 HydrophobicContact CD2-CZ 3.93Å; L357-F366 HydrophobicContact CG-CE2 4.36Å; Y362-F366 HydrophobicContact CD1-CD2 4.3Å; Y362-F366 AromaticContact CD2-CD2 3.97Å; Y362-F366 HydrophobicContact CD2-CD2 3.97Å; Y362-F366 AromaticContact CD2-CE2 3.89Å; Y362-F366 HydrophobicContact CD2-CE2 3.89Å; Y362-F366 HydrophobicContact CE1-CD2 4.01Å; Y362-F366 HydrophobicContact CE1-CE2 4.42Å; Y362-F366 AromaticContact CE2-CD2 3.74Å; Y362-F366 HydrophobicContact CE2-CD2 3.74Å; Y362-F366 AromaticContact CE2-CE2 3.4Å; Y362-F366 HydrophobicContact CE2-CE2 3.4Å; Y362-F366 HydrophobicContact CG-CD2 4.27Å; Y362-F366 AromaticContact CZ-CD2 3.73Å; Y362-F366 AromaticContact CZ-CE2 3.68Å; Y362-F366 WeakPolarHBondContact O-CD2 3.35Å; Y362-F366 PolarHBondContact O-N 2.88Å; Y362-F366 VanDerWaalsContact O-N 3.12Å; F366-T368 VanDerWaalsContact C-N 3.28Å; F366-T368 PolarHBondContact O-N 3.04Å; F366-L369 HydrophobicContact CD1-CD1 4.3Å; F366-L369 PolarHBondContact O-N 2.81Å; F366-L370 WeakPolarHBondContact O-CB 3.35Å; F366-L370 WeakPolarHBondContact O-CD1 3.25Å; F366-L370 VanDerWaalsContact O-CG 3.26Å; F366-L370 WeakPolarHBondContact O-CG 3.35Å; F366-L370 PolarHBondContact O-N 3.01Å; F366-A486 HydrophobicContact CB-CB 4.35Å; F366-E676 HydrophobicContact CE1-CB 4.41Å; F366-E676 HydrophobicContact CE2-CG 4.23Å; F366-E676 HydrophobicContact CZ-CB 3.98Å; F366-E676 HydrophobicContact CZ-CG 3.98Å; F366-T677 HydrophobicContact CB-CG2 3.79Å; F366-T677 HydrophobicContact CD1-CG2 3.53Å; F366-T677 HydrophobicContact CD2-CG2 4.4Å; F366-T677 HydrophobicContact CE1-CG2 4.18Å; F366-T677 HydrophobicContact CG-CG2 3.67Å
367Q85.4Confident85Confident26 Ų2627.4 Ų27.412%0.12113%0.13CC..Hα-helixtrans-62-38.5172.5-76.2-160.2-18.800111.9T363 Y371 H483 A486T363-Q367 HydrophobicContact CG2-CG 4.45Å; T363-Q367 VanDerWaalsContact O-CB 3.3Å; T363-Q367 WeakPolarHBondContact O-CB 3.23Å; T363-Q367 VanDerWaalsContact O-CG 3.29Å; T363-Q367 WeakPolarHBondContact O-CG 3.2Å; T363-Q367 PolarHBondContact O-N 3.43Å; Q367-Y371 PolarHBondContact O-N 3.26Å; Q367-Y371 VanDerWaalsContact O-N 3.12Å; Q367-H483 PolarHBondContact NE2-O 3.03Å; Q367-H483 PolarHBondContact O-CE1 2.75Å; Q367-H483 VanDerWaalsContact O-CE1 3.22Å; Q367-A486 HydrophobicContact CG-CB 4.32Å
368T82.6Confident84.1Confident6 Ų627.2 Ų27.24%0.03713%0.128CC..Hα-helixtrans-64.6-46.5176.4-57.60000111.3L349 L353 E364 K365 F366 Y371 L372L349-T368 HydrophobicContact CD1-CG2 3.88Å; L349-T368 HydrophobicContact CD2-CG2 4.35Å; L349-T368 HydrophobicContact CG-CG2 4.25Å; L353-T368 HydrophobicContact CD1-CG2 4.31Å; L353-T368 HydrophobicContact CD2-CG2 3.9Å; L353-T368 HydrophobicContact CG-CG2 4.32Å; E364-T368 WeakPolarHBondContact O-CB 3.44Å; E364-T368 PolarHBondContact O-N 3.37Å; E364-T368 PolarHBondContact O-OG1 2.98Å; K365-T368 WeakPolarHBondContact O-CB 3.27Å; K365-T368 PolarHBondContact O-N 3.37Å; F366-T368 VanDerWaalsContact C-N 3.28Å; F366-T368 PolarHBondContact O-N 3.04Å; T368-Y371 WeakPolarHBondContact O-CB 3.46Å; T368-Y371 PolarHBondContact O-N 3.14Å; T368-L372 HydrophobicContact CG2-CD1 4.46Å; T368-L372 WeakPolarHBondContact O-CG 3.31Å; T368-L372 PolarHBondContact O-N 3.2Å; T368-L372 VanDerWaalsContact O-N 3.08Å
369L86.5Confident83Confident3 Ų327 Ų272%0.01612%0.122CC..Hα-helixtrans-63.8-43.2179.2-66.3167.3000112.3L353 K365 F366 Y371 L372 E373 Y722 M724L353-L369 HydrophobicContact CD2-CD2 3.68Å; L353-L369 HydrophobicContact CD2-CG 4.02Å; K365-L369 HydrophobicContact CG-CD1 4.03Å; K365-L369 WeakPolarHBondContact O-CG 3.49Å; K365-L369 PolarHBondContact O-N 3.43Å; F366-L369 HydrophobicContact CD1-CD1 4.3Å; F366-L369 PolarHBondContact O-N 2.81Å; L369-Y371 VanDerWaalsContact C-N 3.27Å; L369-Y371 PolarHBondContact O-N 3.02Å; L369-L372 WeakPolarHBondContact O-CB 3.1Å; L369-L372 PolarHBondContact O-N 3.5Å; L369-L372 VanDerWaalsContact O-N 3.12Å; L369-E373 PolarHBondContact O-N 2.97Å; L369-Y722 HydrophobicContact CD2-CD2 4.25Å; L369-Y722 HydrophobicContact CD2-CG 4.44Å; L369-M724 HydrophobicContact CB-CG 4.49Å; L369-M724 HydrophobicContact CB-SD 3.62Å; L369-M724 HydrophobicContact CD1-CB 4.26Å
370L86.4Confident81.9Confident2 Ų224.6 Ų24.61%0.0111%0.113CC..Hα-helixtrans-59.5-37.3174.7-77.2166.3000112.4F366 E373 E374 V479 Q482 H483 T677 M724F366-L370 WeakPolarHBondContact O-CB 3.35Å; F366-L370 WeakPolarHBondContact O-CD1 3.25Å; F366-L370 VanDerWaalsContact O-CG 3.26Å; F366-L370 WeakPolarHBondContact O-CG 3.35Å; F366-L370 PolarHBondContact O-N 3.01Å; L370-E373 PolarHBondContact O-N 3.43Å; L370-E374 WeakPolarHBondContact O-CB 3.41Å; L370-E374 PolarHBondContact O-N 2.77Å; L370-V479 HydrophobicContact CB-CG1 4.38Å; L370-V479 HydrophobicContact CD2-CG1 4.32Å; L370-Q482 HydrophobicContact CD1-CB 3.86Å; L370-Q482 HydrophobicContact CD2-CB 3.72Å; L370-Q482 HydrophobicContact CD2-CG 4.44Å; L370-Q482 HydrophobicContact CG-CB 4.49Å; L370-H483 VanDerWaalsContact CB-CE1 3.41Å; L370-H483 WeakPolarHBondContact CB-CE1 3.42Å; L370-T677 HydrophobicContact CD1-CG2 3.99Å; L370-T677 HydrophobicContact CG-CG2 4.38Å; L370-M724 HydrophobicContact CD2-CE 3.61Å; L370-M724 HydrophobicContact CG-CE 4.01Å
371Y81.7Confident81.2Confident28 Ų2819 Ų1911%0.119%0.087CC..Hα-helixtrans-67.8-40.8175.4-173.6-89.5000111.8F327 Q367 T368 L369 E373 E374 R375F327-Y371 HydrophobicContact CD1-CD1 4.34Å; F327-Y371 AromaticContact CD1-CE1 3.55Å; F327-Y371 HydrophobicContact CD1-CE1 3.55Å; F327-Y371 AromaticContact CE1-CD1 3.59Å; F327-Y371 HydrophobicContact CE1-CD1 3.59Å; F327-Y371 AromaticContact CE1-CE1 3.27Å; F327-Y371 HydrophobicContact CE1-CE1 3.27Å; F327-Y371 HydrophobicContact CG-CE1 4.35Å; F327-Y371 AromaticContact CZ-CD1 3.93Å; F327-Y371 HydrophobicContact CZ-CD1 3.93Å; F327-Y371 AromaticContact CZ-CE1 3.9Å; F327-Y371 HydrophobicContact CZ-CE1 3.9Å; Q367-Y371 PolarHBondContact O-N 3.26Å; Q367-Y371 VanDerWaalsContact O-N 3.12Å; T368-Y371 WeakPolarHBondContact O-CB 3.46Å; T368-Y371 PolarHBondContact O-N 3.14Å; L369-Y371 VanDerWaalsContact C-N 3.27Å; L369-Y371 PolarHBondContact O-N 3.02Å; Y371-E373 VanDerWaalsContact C-N 3.3Å; Y371-E373 PolarHBondContact O-N 3.47Å; Y371-E374 PolarHBondContact O-N 3.01Å; Y371-R375 HydrophobicContact CD1-CG 3.88Å; Y371-R375 HydrophobicContact CE1-CG 3.58Å; Y371-R375 VanDerWaalsContact O-CG 3.29Å; Y371-R375 WeakPolarHBondContact O-CG 3.3Å; Y371-R375 PolarHBondContact O-N 3.13Å; Y371-R375 PolarHBondContact OH-NH1 2.93Å; Y371-R375 PolarHBondContact OH-NH2 3.08Å
372L78.1Confident80.4Confident11 Ų1123.3 Ų23.36%0.05810%0.102CC..Hα-helixtrans-63-38.5175.6-66.9170.1000111.6L331 L353 T368 L369 Q376 F718L331-L372 HydrophobicContact CD1-CD2 4.27Å; L331-L372 HydrophobicContact CD2-CD2 4.13Å; L353-L372 HydrophobicContact CD1-CD1 4.31Å; T368-L372 HydrophobicContact CG2-CD1 4.46Å; T368-L372 WeakPolarHBondContact O-CG 3.31Å; T368-L372 PolarHBondContact O-N 3.2Å; T368-L372 VanDerWaalsContact O-N 3.08Å; L369-L372 WeakPolarHBondContact O-CB 3.1Å; L369-L372 PolarHBondContact O-N 3.5Å; L369-L372 VanDerWaalsContact O-N 3.12Å; L372-Q376 PolarHBondContact O-N 3.17Å; L372-Q376 VanDerWaalsContact O-N 3.09Å; L372-F718 HydrophobicContact CD1-CB 3.85Å
373E81.2Confident79.4Confident14 Ų1424.9 Ų24.97%0.06511%0.108CC..Hα-helixtrans-64.1-47.8172.2-174.860.8-161.500111.6L369 L370 Y371 R375 Q376 M377 R715 S716L369-E373 PolarHBondContact O-N 2.97Å; L370-E373 PolarHBondContact O-N 3.43Å; Y371-E373 VanDerWaalsContact C-N 3.3Å; Y371-E373 PolarHBondContact O-N 3.47Å; E373-R375 VanDerWaalsContact C-N 3.29Å; E373-R375 PolarHBondContact O-N 3.08Å; E373-Q376 PolarHBondContact O-N 3.16Å; E373-Q376 VanDerWaalsContact O-N 3.15Å; E373-M377 HydrophobicContact CG-SD 4.18Å; E373-M377 VanDerWaalsContact O-CG 3.28Å; E373-M377 WeakPolarHBondContact O-CG 3.39Å; E373-M377 PolarHBondContact O-N 2.89Å; E373-R715 VanDerWaalsContact OE1-CB 3.26Å; E373-R715 WeakPolarHBondContact OE1-CB 3.42Å; E373-R715 WeakPolarHBondContact OE1-CG 3.44Å; E373-R715 PolarHBondContact OE1-N 2.93Å; E373-R715 PolarHBondContact OE2-N 3.37Å; E373-R715 VanDerWaalsContact OE2-N 3.08Å; E373-S716 VanDerWaalsContact OE2-CB 3.22Å; E373-S716 WeakPolarHBondContact OE2-CB 3.13Å; E373-S716 PolarHBondContact OE2-N 3.15Å
374E80.4Confident78.8Confident5 Ų526 Ų262%0.02311%0.111CC..Hα-helixtrans-56.5-42.9176.7-169.9179.6-139.700112.1L370 Y371 M377 E378 F474 R476 V479L370-E374 WeakPolarHBondContact O-CB 3.41Å; L370-E374 PolarHBondContact O-N 2.77Å; Y371-E374 PolarHBondContact O-N 3.01Å; E374-M377 WeakPolarHBondContact O-CB 3.17Å; E374-M377 PolarHBondContact O-N 3.31Å; E374-E378 PolarHBondContact O-N 3.07Å; E374-F474 HydrophobicContact CG-CE2 4.18Å; E374-F474 HydrophobicContact CG-CZ 3.68Å; E374-R476 IonicContact OE1-CZ 3.25Å; E374-R476 IonicContact OE1-NE 3.68Å; E374-R476 PolarHBondContact OE1-NE 3.45Å; E374-R476 IonicContact OE1-NH2 2.62Å; E374-R476 PolarHBondContact OE1-NH2 2.79Å; E374-R476 IonicContact OE2-NH2 2.64Å; E374-R476 PolarHBondContact OE2-NH2 3.18Å; E374-V479 HydrophobicContact CB-CG1 4.18Å
375R72.9Confident78.7Confident59 Ų5923.7 Ų23.722%0.22310%0.101CC..Hα-helixtrans-65.8-41.3178-72-62.9125.1133.94.9112.2N324 Y371 E373 E378 F379N324-R375 PolarHBondContact OD1-NH1 3.05Å; Y371-R375 HydrophobicContact CD1-CG 3.88Å; Y371-R375 HydrophobicContact CE1-CG 3.58Å; Y371-R375 VanDerWaalsContact O-CG 3.29Å; Y371-R375 WeakPolarHBondContact O-CG 3.3Å; Y371-R375 PolarHBondContact O-N 3.13Å; Y371-R375 PolarHBondContact OH-NH1 2.93Å; Y371-R375 PolarHBondContact OH-NH2 3.08Å; E373-R375 VanDerWaalsContact C-N 3.29Å; E373-R375 PolarHBondContact O-N 3.08Å; R375-E378 IonicContact CZ-OE2 3.16Å; R375-E378 IonicContact NE-OE2 2.81Å; R375-E378 PolarHBondContact O-N 2.78Å; R375-F379 WeakPolarHBondContact O-CB 3.26Å; R375-F379 PolarHBondContact O-N 3.07Å
376Q71.9Confident78.4Confident29 Ų2923.7 Ų23.714%0.13610%0.101CC..Hα-helixtrans-61.9-47.2175-169.166.149.100110.1L372 E373 E378 F379 D380 R715L372-Q376 PolarHBondContact O-N 3.17Å; L372-Q376 VanDerWaalsContact O-N 3.09Å; E373-Q376 PolarHBondContact O-N 3.16Å; E373-Q376 VanDerWaalsContact O-N 3.15Å; Q376-E378 VanDerWaalsContact C-N 3.29Å; Q376-E378 PolarHBondContact O-N 3.39Å; Q376-F379 WeakPolarHBondContact O-CB 3.39Å; Q376-F379 PolarHBondContact O-N 3.25Å; Q376-F379 VanDerWaalsContact O-N 3.11Å; Q376-D380 PolarHBondContact NE2-OD1 3.32Å; Q376-D380 WeakPolarHBondContact O-CB 3.41Å; Q376-D380 PolarHBondContact O-N 2.87Å; Q376-D380 VanDerWaalsContact O-OD1 3.12Å; Q376-R715 HydrophobicContact CB-CB 4.34Å; Q376-R715 HydrophobicContact CG-CB 3.83Å
377M75.1Confident77.8Confident4 Ų425.9 Ų25.92%0.0212%0.117CC..Hα-helixtrans-56.3-40.5176.2-65.116279.200113.1E373 E374 I381 F474 V479E373-M377 HydrophobicContact CG-SD 4.18Å; E373-M377 VanDerWaalsContact O-CG 3.28Å; E373-M377 WeakPolarHBondContact O-CG 3.39Å; E373-M377 PolarHBondContact O-N 2.89Å; E374-M377 WeakPolarHBondContact O-CB 3.17Å; E374-M377 PolarHBondContact O-N 3.31Å; M377-I381 WeakPolarHBondContact O-CG2 3.22Å; M377-I381 PolarHBondContact O-N 3.4Å; M377-F474 HydrophobicContact CB-CD2 4.26Å; M377-F474 HydrophobicContact CB-CE1 4.39Å; M377-F474 HydrophobicContact CB-CE2 4.1Å; M377-F474 HydrophobicContact CB-CG 4.46Å; M377-F474 HydrophobicContact CB-CZ 4.17Å; M377-F474 HydrophobicContact CE-CD2 3.71Å; M377-F474 HydrophobicContact CE-CE2 3.84Å; M377-F474 HydrophobicContact SD-CE2 4.24Å; M377-V479 HydrophobicContact CE-CG2 4.06Å; M377-V479 HydrophobicContact SD-CG2 3.89Å
378E72.4Confident77.1Confident43 Ų4326 Ų2620%0.20112%0.118CC..Hα-helixtrans-65.7-42.9176.7-170.6179.8-175.100112E374 R375 Q376 I381 R382 F474E374-E378 PolarHBondContact O-N 3.07Å; R375-E378 IonicContact CZ-OE2 3.16Å; R375-E378 IonicContact NE-OE2 2.81Å; R375-E378 PolarHBondContact O-N 2.78Å; Q376-E378 VanDerWaalsContact C-N 3.29Å; Q376-E378 PolarHBondContact O-N 3.39Å; E378-I381 WeakPolarHBondContact O-CG2 3.39Å; E378-R382 WeakPolarHBondContact O-CD 3.43Å; E378-R382 VanDerWaalsContact O-CG 3.25Å; E378-R382 WeakPolarHBondContact O-CG 3.33Å; E378-R382 PolarHBondContact O-N 3.47Å; E378-R382 IonicContact OE1-CZ 3.96Å; E378-R382 VanDerWaalsContact OE1-CZ 3.25Å; E378-R382 IonicContact OE1-NH1 3.64Å; E378-R382 IonicContact OE1-NH2 2.86Å; E378-R382 PolarHBondContact OE1-NH2 2.74Å; E378-F474 HydrophobicContact CB-CE1 3.71Å; E378-F474 HydrophobicContact CB-CZ 4.47Å; E378-F474 HydrophobicContact CG-CE1 4.24Å
379F69.4Low76.2Confident32 Ų3231.6 Ų31.614%0.1414%0.144CC..Hα-helixtrans-66.4-47.9179.2-178.3-86.6000111.5Y94 L95 L282 R375 Q376 I381 R382Y94-F379 HydrophobicContact CD1-CD2 4.44Å; Y94-F379 WeakPolarHBondContact O-CD1 3.29Å; Y94-F379 WeakPolarHBondContact O-CE1 3.19Å; Y94-F379 WeakPolarHBondContact O-CZ 3.45Å; L95-F379 HydrophobicContact CB-CZ 4.46Å; L282-F379 HydrophobicContact CD1-CE1 4.31Å; L282-F379 HydrophobicContact CD1-CE2 3.53Å; L282-F379 HydrophobicContact CD1-CZ 3.24Å; L282-F379 HydrophobicContact CD2-CE1 4.22Å; L282-F379 HydrophobicContact CD2-CE2 4.41Å; L282-F379 HydrophobicContact CD2-CZ 3.85Å; L282-F379 HydrophobicContact CG-CZ 3.99Å; R375-F379 WeakPolarHBondContact O-CB 3.26Å; R375-F379 PolarHBondContact O-N 3.07Å; Q376-F379 WeakPolarHBondContact O-CB 3.39Å; Q376-F379 PolarHBondContact O-N 3.25Å; Q376-F379 VanDerWaalsContact O-N 3.11Å; F379-I381 PolarHBondContact O-N 3.41Å; F379-R382 PolarHBondContact O-N 3.47Å
380D70.3Confident75.2Confident1 Ų134.8 Ų34.81%0.00516%0.161CC..Hα-helixtrans-54.4-47.7179.7-773.4000112.9Q376 R382 R383 Q1010Q376-D380 PolarHBondContact NE2-OD1 3.32Å; Q376-D380 WeakPolarHBondContact O-CB 3.41Å; Q376-D380 PolarHBondContact O-N 2.87Å; Q376-D380 VanDerWaalsContact O-OD1 3.12Å; D380-R382 VanDerWaalsContact C-N 3.34Å; D380-R383 WeakPolarHBondContact O-CB 3.45Å; D380-R383 PolarHBondContact O-N 3.2Å; D380-Q1010 PolarHBondContact OD1-OE1 3.07Å; D380-Q1010 PolarHBondContact OD2-NE2 3.21Å; D380-Q1010 PolarHBondContact OD2-OE1 3.41Å
381I75.1Confident74.5Confident8 Ų837.4 Ų37.44%0.04118%0.177CC..Hα-helixtrans-74.1-27.1-175.5-162163.6000112.5M377 E378 F379 R383 Y384 P418 F472 T473 F474M377-I381 WeakPolarHBondContact O-CG2 3.22Å; M377-I381 PolarHBondContact O-N 3.4Å; E378-I381 WeakPolarHBondContact O-CG2 3.39Å; F379-I381 PolarHBondContact O-N 3.41Å; I381-R383 PolarHBondContact O-N 3.43Å; I381-Y384 PolarHBondContact O-N 3.28Å; I381-P418 HydrophobicContact CG1-CB 4.23Å; I381-F472 HydrophobicContact CD1-CB 4.21Å; I381-F472 HydrophobicContact CG1-CB 3.71Å; I381-T473 VanDerWaalsContact CD1-O 3.27Å; I381-T473 WeakPolarHBondContact CD1-O 3.37Å; I381-F474 HydrophobicContact CD1-CB 3.88Å; I381-F474 HydrophobicContact CG2-CD1 4.21Å
382R73.6Confident74.5Confident108 Ų10842.4 Ų42.441%0.40820%0.201SC..Hα-helixtrans-67.7-21.7178.3-77.3173.4173.4173.82.1113.7E378 F379 D380 Y384 N385E378-R382 WeakPolarHBondContact O-CD 3.43Å; E378-R382 VanDerWaalsContact O-CG 3.25Å; E378-R382 WeakPolarHBondContact O-CG 3.33Å; E378-R382 PolarHBondContact O-N 3.47Å; E378-R382 IonicContact OE1-CZ 3.96Å; E378-R382 VanDerWaalsContact OE1-CZ 3.25Å; E378-R382 IonicContact OE1-NH1 3.64Å; E378-R382 IonicContact OE1-NH2 2.86Å; E378-R382 PolarHBondContact OE1-NH2 2.74Å; F379-R382 PolarHBondContact O-N 3.47Å; D380-R382 VanDerWaalsContact C-N 3.34Å; R382-Y384 PolarHBondContact O-N 2.66Å; R382-Y384 VanDerWaalsContact O-N 3.1Å; R382-N385 VanDerWaalsContact O-CB 3.3Å; R382-N385 WeakPolarHBondContact O-CB 3.43Å; R382-N385 VanDerWaalsContact O-CG 3.26Å; R382-N385 PolarHBondContact O-N 3.49Å
383R70.4Confident74.8Confident34 Ų3444.2 Ų44.213%0.12821%0.209CC..THydrogen-bonded Turntrans-56.6-23.2172.8-67.2172.1178.7-146.82.8112.7D96 L282 D380 I381D96-R383 IonicContact OD1-CZ 3.22Å; D96-R383 IonicContact OD1-NH1 2.69Å; D96-R383 PolarHBondContact OD1-NH1 3.12Å; D96-R383 IonicContact OD1-NH2 3.9Å; D96-R383 PolarHBondContact OD1-NH2 2.91Å; D96-R383 IonicContact OD2-CZ 3.56Å; D96-R383 IonicContact OD2-NH1 3.75Å; D96-R383 PolarHBondContact OD2-NH1 3.2Å; D96-R383 IonicContact OD2-NH2 2.61Å; L282-R383 HydrophobicContact CD2-CB 4.42Å; L282-R383 HydrophobicContact CD2-CG 3.49Å; L282-R383 VanDerWaalsContact CD2-CG 3.49Å; D380-R383 WeakPolarHBondContact O-CB 3.45Å; D380-R383 PolarHBondContact O-N 3.2Å; I381-R383 PolarHBondContact O-N 3.43Å
384Y75.9Confident75.1Confident39 Ų3943.7 Ų43.715%0.15321%0.207CC..THydrogen-bonded Turntrans-94-4.5-179-59.5-86.6000113.3I381 R382 R417 P418 F472I381-Y384 PolarHBondContact O-N 3.28Å; R382-Y384 PolarHBondContact O-N 2.66Å; R382-Y384 VanDerWaalsContact O-N 3.1Å; Y384-R417 VanDerWaalsContact CE1-C 3.46Å; Y384-R417 HydrophobicContact CE1-CB 3.74Å; Y384-R417 WeakPolarHBondContact OH-CB 3.31Å; Y384-R417 WeakPolarHBondContact OH-CG 3.25Å; Y384-P418 HydrophobicContact CD1-CB 4.12Å; Y384-P418 HydrophobicContact CD1-CG 4.24Å; Y384-P418 HydrophobicContact CD2-CB 3.66Å; Y384-P418 HydrophobicContact CE2-CB 4.29Å; Y384-P418 HydrophobicContact CG-CB 3.56Å; Y384-P418 HydrophobicContact CG-CG 3.92Å; Y384-F472 VanDerWaalsContact C-CD2 3.46Å; Y384-F472 VanDerWaalsContact O-CD2 3.23Å; Y384-F472 WeakPolarHBondContact O-CD2 3.46Å; Y384-F472 WeakPolarHBondContact O-CE2 3.37Å
385N83.6Confident75.6Confident22 Ų2247.8 Ų47.812%0.11823%0.226CC..  trans-54.6150.5177.6-70.7-3.5000111.5P283 R382 P387 N388 V470 E471 F472P283-N385 HydrophobicContact CG-CB 4.18Å; R382-N385 VanDerWaalsContact O-CB 3.3Å; R382-N385 WeakPolarHBondContact O-CB 3.43Å; R382-N385 VanDerWaalsContact O-CG 3.26Å; R382-N385 PolarHBondContact O-N 3.49Å; N385-P387 CarbonylContact O-C 3.47Å; N385-N388 VanDerWaalsContact O-CB 3.27Å; N385-N388 WeakPolarHBondContact O-CB 3.32Å; N385-N388 PolarHBondContact O-ND2 3.4Å; N385-V470 CarbonylContact C-O 2.84Å; N385-V470 VanDerWaalsContact CA-O 3.29Å; N385-V470 WeakPolarHBondContact CA-O 3.48Å; N385-E471 WeakPolarHBondContact OD1-CA 3.38Å; N385-F472 PolarHBondContact OD1-N 3.37Å
386I83.4Confident76.4Confident13 Ų1345.1 Ų45.17%0.06722%0.216CC..BIsolated β-bridgetrans-118.7127177.5-58.9171.8000107.1T391 A394 N469 V470I386-T391 HydrophobicContact CD1-CG2 4.43Å; I386-T391 HydrophobicContact CG2-CG2 3.96Å; I386-A394 HydrophobicContact CD1-CB 3.99Å; I386-A394 HydrophobicContact CG2-CB 4.14Å; I386-N469 CarbonylContact O-C 3.57Å; I386-N469 WeakPolarHBondContact O-CA 2.99Å; I386-N469 WeakPolarHBondContact O-CB 3.43Å; I386-V470 HydrophobicContact CB-CB 4.09Å; I386-V470 HydrophobicContact CB-CG2 4.43Å; I386-V470 HydrophobicContact CD1-CB 4.33Å; I386-V470 HydrophobicContact CD1-CG2 4.33Å; I386-V470 HydrophobicContact CG1-CB 4.43Å; I386-V470 PolarHBondContact N-O 3.08Å; I386-V470 PolarHBondContact O-N 3.13Å
387P77Confident77.3Confident57 Ų5748.7 Ų48.737%0.3723%0.231SC..SBendcis-66.7146.85.424.9-34.6000114.7P283 N385 T391 E392P283-P387 WeakPolarHBondContact CB-O 3.19Å; N385-P387 CarbonylContact O-C 3.47Å; P387-T391 VanDerWaalsContact CA-O 3.32Å; P387-T391 WeakPolarHBondContact CA-O 3.33Å; P387-E392 WeakPolarHBondContact CB-O 3.33Å
388N71.7Confident78Confident29 Ų2954.3 Ų54.316%0.15525%0.252CS..SBendtrans-140.1-173.516457.848.1000109.6N385 D390 T391N385-N388 VanDerWaalsContact O-CB 3.27Å; N385-N388 WeakPolarHBondContact O-CB 3.32Å; N385-N388 PolarHBondContact O-ND2 3.4Å; N388-D390 VanDerWaalsContact C-N 3.3Å; N388-D390 PolarHBondContact O-N 3.36Å; N388-D390 WeakPolarHBondContact OD1-CA 3.4Å; N388-D390 WeakPolarHBondContact OD1-CB 3.44Å; N388-D390 PolarHBondContact OD1-N 3.26Å; N388-T391 PolarHBondContact N-O 3.22Å; N388-T391 CarbonylContact O-C 3.55Å; N388-T391 PolarHBondContact O-N 3.46Å; N388-T391 PolarHBondContact OD1-N 3.03Å
389E62.9Low78.6Confident122 Ų12252.9 Ų52.957%0.5725%0.246SC*.SBendtrans-62.7-33.2179.9-64.3-172.5144.700114.1S281S281-E389 WeakPolarHBondContact CB-OE1 3.44Å; S281-E389 PolarHBondContact N-OE2 3.44Å; S281-E389 VanDerWaalsContact OG-CG 3.3Å; S281-E389 WeakPolarHBondContact OG-CG 3.35Å; S281-E389 PolarHBondContact OG-OE1 3.4Å; S281-E389 PolarHBondContact OG-OE2 3.42Å
390D65.1Low79.3Confident71 Ų7157.3 Ų57.338%0.3828%0.276SS..SBendtrans-82.5-27.8-178-68.6-20.5000111.7R280 N388 T816R280-D390 IonicContact CZ-OD2 2.78Å; R280-D390 VanDerWaalsContact CZ-OD2 3.24Å; R280-D390 IonicContact NE-OD2 3.45Å; R280-D390 PolarHBondContact NE-OD2 2.69Å; R280-D390 IonicContact NH2-OD2 3.58Å; R280-D390 PolarHBondContact NH2-OD2 3.15Å; N388-D390 VanDerWaalsContact C-N 3.3Å; N388-D390 PolarHBondContact O-N 3.36Å; N388-D390 WeakPolarHBondContact OD1-CA 3.4Å; N388-D390 WeakPolarHBondContact OD1-CB 3.44Å; N388-D390 PolarHBondContact OD1-N 3.26Å; D390-T816 VanDerWaalsContact OD1-CG2 3.31Å; D390-T816 WeakPolarHBondContact OD1-CG2 3.26Å; D390-T816 WeakPolarHBondContact OD2-CG2 3.19Å; D390-T816 PolarHBondContact OD2-OG1 2.56Å
391T73.3Confident79.8Confident56 Ų5664.4 Ų64.434%0.34431%0.309SS..  trans-146.9110.5-168.7-55.50000110.6I386 P387 N388 F393I386-T391 HydrophobicContact CD1-CG2 4.43Å; I386-T391 HydrophobicContact CG2-CG2 3.96Å; P387-T391 VanDerWaalsContact CA-O 3.32Å; P387-T391 WeakPolarHBondContact CA-O 3.33Å; N388-T391 PolarHBondContact N-O 3.22Å; N388-T391 CarbonylContact O-C 3.55Å; N388-T391 PolarHBondContact O-N 3.46Å; N388-T391 PolarHBondContact OD1-N 3.03Å; T391-F393 VanDerWaalsContact C-N 3.35Å; T391-F393 WeakPolarHBondContact CG2-O 3.36Å
392E80.8Confident80.2Confident133 Ų13366.6 Ų66.662%0.62132%0.321SS*.SBendtrans-70.9-29.4179.3-168.1-169.2-179.500112.6P387P387-E392 WeakPolarHBondContact CB-O 3.33Å
393F84.4Confident80.5Confident49 Ų4965.8 Ų65.822%0.21533%0.329CS..  trans-158.1150.2178.151.4-91.7000110.7T391 Q395 K467T391-F393 VanDerWaalsContact C-N 3.35Å; T391-F393 WeakPolarHBondContact CG2-O 3.36Å; F393-Q395 HydrophobicContact CD2-CG 4.03Å; F393-Q395 HydrophobicContact CE2-CG 4.03Å; F393-K467 HydrophobicContact CB-CB 3.92Å; F393-K467 HydrophobicContact CB-CD 4.43Å; F393-K467 HydrophobicContact CB-CG 4.38Å; F393-K467 HydrophobicContact CD1-CD 3.75Å; F393-K467 HydrophobicContact CD1-CG 4.41Å; F393-K467 HydrophobicContact CD2-CB 3.94Å; F393-K467 HydrophobicContact CD2-CD 3.74Å; F393-K467 HydrophobicContact CD2-CG 3.52Å; F393-K467 HydrophobicContact CE1-CD 3.9Å; F393-K467 VanDerWaalsContact CE1-NZ 3.28Å; F393-K467 HydrophobicContact CE2-CD 3.88Å; F393-K467 HydrophobicContact CE2-CG 3.87Å; F393-K467 HydrophobicContact CG-CB 3.94Å; F393-K467 HydrophobicContact CG-CD 3.68Å; F393-K467 HydrophobicContact CG-CG 3.83Å; F393-K467 HydrophobicContact CZ-CD 3.97Å; F393-K467 VanDerWaalsContact CZ-CE 3.42Å; F393-K467 HydrophobicContact CZ-CG 4.46Å
394A87.8Confident81.2Confident4 Ų471 Ų713%0.03335%0.349CS..EExtended strand (participates in β ladder)trans-87.8140.1172.400000110.3I386 L408 F468 V470I386-A394 HydrophobicContact CD1-CB 3.99Å; I386-A394 HydrophobicContact CG2-CB 4.14Å; A394-L408 HydrophobicContact CB-CD1 3.62Å; A394-F468 HydrophobicContact CB-CB 4.33Å; A394-F468 PolarHBondContact N-O 3.42Å; A394-F468 PolarHBondContact O-N 2.89Å; A394-V470 HydrophobicContact CB-CG2 3.56Å
395Q90.3Very high81.8Confident91 Ų9169.7 Ų69.743%0.42534%0.344SS..EExtended strand (participates in β ladder)trans-112.4113.5165.5-70.1-173.6-19.700108.5F393F393-Q395 HydrophobicContact CD2-CG 4.03Å; F393-Q395 HydrophobicContact CE2-CG 4.03Å
396L90.2Very high82.2Confident2 Ų268.6 Ų68.61%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-76.3144.7170.7-63.4176.7000108.9L406 V407 L408 V428 L452 F454 Y462 F468L396-L406 HydrophobicContact CB-CB 4.21Å; L396-L406 HydrophobicContact CB-CD1 4.34Å; L396-L406 HydrophobicContact CD1-CB 4.25Å; L396-L406 HydrophobicContact CD1-CD1 3.74Å; L396-V407 WeakPolarHBondContact CA-O 3.21Å; L396-L408 HydrophobicContact CD2-CB 3.58Å; L396-L408 HydrophobicContact CD2-CD1 3.68Å; L396-L408 HydrophobicContact CD2-CG 4.16Å; L396-V428 HydrophobicContact CD1-CG1 4.17Å; L396-L452 HydrophobicContact CD2-CD1 4.42Å; L396-F454 HydrophobicContact CD1-CE2 3.95Å; L396-F454 HydrophobicContact CD1-CZ 4.13Å; L396-Y462 HydrophobicContact CB-CE2 3.99Å; L396-Y462 PolarHBondContact O-OH 3.37Å; L396-F468 HydrophobicContact CB-CD2 4.4Å; L396-F468 HydrophobicContact CB-CE2 4.35Å; L396-F468 HydrophobicContact CD1-CD2 4Å; L396-F468 HydrophobicContact CD1-CE2 4Å; L396-F468 HydrophobicContact CD1-CG 4.35Å; L396-F468 HydrophobicContact CD1-CZ 4.37Å; L396-F468 HydrophobicContact CG-CD2 4Å; L396-F468 HydrophobicContact CG-CE2 4.27Å
397K90.7Very high82.6Confident104 Ų10469 Ų6945%0.45234%0.341SS..EExtended strand (participates in β ladder)trans-116.3144.5172.7-65.5174.9-176.4167.20109.5D399 L406 V407 E409K397-D399 PolarHBondContact O-N 3.03Å; K397-L406 CarbonylContact O-C 3.57Å; K397-L406 WeakPolarHBondContact O-CA 3.44Å; K397-V407 PolarHBondContact N-O 3.26Å; K397-V407 PolarHBondContact O-N 3.04Å; K397-E409 IonicContact NZ-OE1 2.76Å; K397-E409 PolarHBondContact NZ-OE1 3.07Å; K397-E409 IonicContact NZ-OE2 2.7Å
398R89.3Confident83.3Confident123 Ų12366.3 Ų66.346%0.46432%0.324SS..EExtended strand (participates in β ladder)trans-64.7136.4169.9-80.5-175.6179.4-170.60.9110.2L406 L459 Y462R398-L406 HydrophobicContact CG-CD2 3.77Å; R398-L459 PolarHBondContact NH2-O 2.93Å; R398-Y462 HydrophobicContact CG-CD1 4.18Å; R398-Y462 HydrophobicContact CG-CE1 3.74Å
399D86.6Confident83.9Confident12 Ų1270.3 Ų70.36%0.06434%0.342CS..  trans-66.5141.3175.8-175.4-96.5000110.8K397 H401 N402 L405 V407 R451K397-D399 PolarHBondContact O-N 3.03Å; D399-H401 VanDerWaalsContact C-N 3.33Å; D399-H401 WeakPolarHBondContact OD1-CA 3.36Å; D399-H401 WeakPolarHBondContact OD1-CB 3.32Å; D399-H401 PolarHBondContact OD1-N 3.19Å; D399-N402 WeakPolarHBondContact CB-O 3.22Å; D399-N402 PolarHBondContact OD1-N 3.25Å; D399-L405 HydrophobicContact CB-CB 4.01Å; D399-L405 PolarHBondContact N-O 3.34Å; D399-V407 HydrophobicContact CB-CG2 3.78Å; D399-R451 IonicContact OD1-CZ 2.82Å; D399-R451 IonicContact OD1-NE 2.89Å; D399-R451 IonicContact OD1-NH2 2.68Å; D399-R451 IonicContact OD2-CZ 3.58Å; D399-R451 IonicContact OD2-NE 3.15Å; D399-R451 PolarHBondContact OD2-NE 3.43Å; D399-R451 IonicContact OD2-NH2 2.64Å; D399-R451 PolarHBondContact OD2-NH2 3.43Å
400T83.9Confident84.6Confident126 Ų12665 Ų6577%0.77332%0.318SS*.SBendtrans-74.7-22.9-176.248.50000113.5
401H81.1Confident84.6Confident150 Ų15065.9 Ų65.969%0.69433%0.328SS*.SBendtrans-103.9-34.6-176.1-59.675.6000111.8D399D399-H401 VanDerWaalsContact C-N 3.33Å; D399-H401 WeakPolarHBondContact OD1-CA 3.36Å; D399-H401 WeakPolarHBondContact OD1-CB 3.32Å; D399-H401 PolarHBondContact OD1-N 3.19Å
402N82.6Confident83.9Confident54 Ų5463.6 Ų63.629%0.28932%0.315SS..  trans-129103.2178-173.6-12.6000111.5D399 R404 L405D399-N402 WeakPolarHBondContact CB-O 3.22Å; D399-N402 PolarHBondContact OD1-N 3.25Å; N402-R404 PolarHBondContact O-N 2.97Å; N402-R404 WeakPolarHBondContact OD1-CB 3.45Å; N402-R404 PolarHBondContact OD1-N 3.09Å; N402-R404 VanDerWaalsContact OD1-N 3.09Å; N402-L405 HydrophobicContact CB-CD1 4.01Å; N402-L405 HydrophobicContact CB-CG 4.1Å; N402-L405 PolarHBondContact O-N 3.22Å
403P79.9Confident83Confident90 Ų9057.2 Ų57.258%0.58429%0.285SS*.THydrogen-bonded Turntrans-67.4-8.5-175.228.9-36000114.2L405P403-L405 VanDerWaalsContact C-N 3.29Å
404R84.3Confident81.4Confident143 Ų14357.4 Ų57.454%0.5429%0.292SS..THydrogen-bonded Turntrans-80.6-9.1173-60.4-177.7178.1166.50.1113.1E300 N402 L459E300-R404 IonicContact OE1-NH1 3.22Å; E300-R404 PolarHBondContact OE1-NH1 3.13Å; N402-R404 PolarHBondContact O-N 2.97Å; N402-R404 WeakPolarHBondContact OD1-CB 3.45Å; N402-R404 PolarHBondContact OD1-N 3.09Å; N402-R404 VanDerWaalsContact OD1-N 3.09Å; R404-L459 WeakPolarHBondContact O-CD1 3.22Å
405L90.1Very high79.6Confident12 Ų1259.2 Ų59.26%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-107.4146.6-178.4-55.2-178.3000111.5D399 N402 P403 H443 R451 L452D399-L405 HydrophobicContact CB-CB 4.01Å; D399-L405 PolarHBondContact N-O 3.34Å; N402-L405 HydrophobicContact CB-CD1 4.01Å; N402-L405 HydrophobicContact CB-CG 4.1Å; N402-L405 PolarHBondContact O-N 3.22Å; P403-L405 VanDerWaalsContact C-N 3.29Å; L405-H443 HydrophobicContact CD1-CB 4.24Å; L405-H443 VanDerWaalsContact CD2-CE1 3.43Å; L405-H443 WeakPolarHBondContact CD2-CE1 3.48Å; L405-H443 WeakPolarHBondContact CD2-ND1 3.39Å; L405-R451 HydrophobicContact CD1-CB 4.38Å; L405-L452 WeakPolarHBondContact CA-O 3.35Å
406L91.8Very high77.9Confident0 Ų055.7 Ų55.70%028%0.284CS..EExtended strand (participates in β ladder)trans-111.7135.8170.9-62.8-176.9000109.4L396 K397 R398 L452 F454 L459 Y462L396-L406 HydrophobicContact CB-CB 4.21Å; L396-L406 HydrophobicContact CB-CD1 4.34Å; L396-L406 HydrophobicContact CD1-CB 4.25Å; L396-L406 HydrophobicContact CD1-CD1 3.74Å; K397-L406 CarbonylContact O-C 3.57Å; K397-L406 WeakPolarHBondContact O-CA 3.44Å; R398-L406 HydrophobicContact CG-CD2 3.77Å; L406-L452 PolarHBondContact N-O 2.85Å; L406-L452 WeakPolarHBondContact O-CB 3.39Å; L406-L452 PolarHBondContact O-N 3.34Å; L406-F454 HydrophobicContact CB-CD2 3.99Å; L406-F454 HydrophobicContact CB-CE2 3.94Å; L406-F454 HydrophobicContact CD1-CD2 3.75Å; L406-F454 HydrophobicContact CD1-CE2 4.03Å; L406-F454 HydrophobicContact CG-CD2 4.08Å; L406-F454 HydrophobicContact CG-CE2 4.42Å; L406-L459 HydrophobicContact CD1-CD2 4.2Å; L406-L459 HydrophobicContact CD2-CD2 4.32Å; L406-L459 HydrophobicContact CG-CD2 3.96Å; L406-Y462 HydrophobicContact CD1-CD2 3.91Å; L406-Y462 HydrophobicContact CD1-CE2 4.28Å; L406-Y462 HydrophobicContact CD1-CG 4.26Å; L406-Y462 HydrophobicContact CD2-CD1 4.1Å; L406-Y462 HydrophobicContact CD2-CD2 4.26Å; L406-Y462 HydrophobicContact CD2-CE1 4.04Å; L406-Y462 HydrophobicContact CD2-CE2 4.19Å; L406-Y462 HydrophobicContact CD2-CG 4.21Å
407V91.5Very high76.6Confident20 Ų2056.4 Ų56.412%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-98.4125.2179.5-174.10000108.9L396 K397 D399 V450 R451L396-V407 WeakPolarHBondContact CA-O 3.21Å; K397-V407 PolarHBondContact N-O 3.26Å; K397-V407 PolarHBondContact O-N 3.04Å; D399-V407 HydrophobicContact CB-CG2 3.78Å; V407-V450 WeakPolarHBondContact CA-O 3.43Å; V407-R451 HydrophobicContact CG2-CG 4.37Å
408L91Very high75.5Confident2 Ų251.4 Ų51.41%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-103.9122.8171.3179.765.9000108.9A394 L396 V410 L426 S449 V450 L452 V470 F472A394-L408 HydrophobicContact CB-CD1 3.62Å; L396-L408 HydrophobicContact CD2-CB 3.58Å; L396-L408 HydrophobicContact CD2-CD1 3.68Å; L396-L408 HydrophobicContact CD2-CG 4.16Å; L408-V410 HydrophobicContact CB-CG2 4.33Å; L408-V410 HydrophobicContact CD2-CG2 3.52Å; L408-V410 HydrophobicContact CG-CG2 3.52Å; L408-V410 PolarHBondContact O-N 3.16Å; L408-L426 HydrophobicContact CD2-CD1 4.09Å; L408-S449 CarbonylContact O-C 3.58Å; L408-S449 WeakPolarHBondContact O-CA 3.32Å; L408-S449 WeakPolarHBondContact O-CB 3.34Å; L408-V450 PolarHBondContact N-O 3.19Å; L408-V450 PolarHBondContact O-N 2.87Å; L408-L452 HydrophobicContact CB-CD1 3.89Å; L408-L452 HydrophobicContact CD2-CD1 4.23Å; L408-V470 HydrophobicContact CD1-CG2 4.12Å; L408-V470 HydrophobicContact CD2-CG1 3.97Å; L408-V470 HydrophobicContact CD2-CG2 4.19Å; L408-F472 HydrophobicContact CD2-CZ 4.22Å
409E85.3Confident74.6Confident112 Ų11246 Ų4652%0.52325%0.246SC..EExtended strand (participates in β ladder)trans-75.6121.8170.2-72.2177.2-171.900109.4K397K397-E409 IonicContact NZ-OE1 2.76Å; K397-E409 PolarHBondContact NZ-OE1 3.07Å; K397-E409 IonicContact NZ-OE2 2.7Å
410V77.4Confident74.1Confident11 Ų1145.4 Ų45.47%0.06724%0.243CC..  trans-138.690.3179.8-170.10000107.2L408 G412 V413 P418 D448 V450 F472L408-V410 HydrophobicContact CB-CG2 4.33Å; L408-V410 HydrophobicContact CD2-CG2 3.52Å; L408-V410 HydrophobicContact CG-CG2 3.52Å; L408-V410 PolarHBondContact O-N 3.16Å; V410-G412 PolarHBondContact O-N 2.73Å; V410-V413 HydrophobicContact CB-CB 3.91Å; V410-V413 HydrophobicContact CB-CG1 4.21Å; V410-V413 HydrophobicContact CB-CG2 4.49Å; V410-V413 HydrophobicContact CG1-CB 3.99Å; V410-V413 HydrophobicContact CG1-CG2 4.45Å; V410-V413 WeakPolarHBondContact O-CB 3.25Å; V410-V413 VanDerWaalsContact O-CG1 3.26Å; V410-V413 WeakPolarHBondContact O-CG1 3.22Å; V410-V413 PolarHBondContact O-N 3.41Å; V410-V413 VanDerWaalsContact O-N 3.11Å; V410-P418 HydrophobicContact CG1-CG 4.05Å; V410-D448 CarbonylContact C-O 3.56Å; V410-D448 PolarHBondContact N-O 2.92Å; V410-D448 CarbonylContact O-C 3.58Å; V410-V450 HydrophobicContact CG2-CG2 4.3Å; V410-F472 HydrophobicContact CG1-CE1 4.34Å; V410-F472 HydrophobicContact CG1-CZ 4.03Å; V410-F472 HydrophobicContact CG2-CE1 4.35Å; V410-F472 HydrophobicContact CG2-CZ 4.01Å
411P64.8Low73.6Confident90 Ų9040.3 Ų40.358%0.58421%0.211SC*.THydrogen-bonded Turntrans-55.9127.5-179.4-26.134.7000111.4
412G57.9Low73.5Confident7 Ų735.8 Ų35.87%0.07219%0.187CC..THydrogen-bonded Turntrans83.19.5-178.900000115.8V410 E415 R417 D448V410-G412 PolarHBondContact O-N 2.73Å; G412-E415 WeakPolarHBondContact CA-OE2 3.16Å; G412-E415 CarbonylContact O-C 3.5Å; G412-E415 WeakPolarHBondContact O-CA 3.29Å; G412-E415 WeakPolarHBondContact O-CB 3.46Å; G412-E415 PolarHBondContact O-N 2.91Å; G412-R417 CarbonylContact C-O 3.58Å; G412-R417 PolarHBondContact O-N 2.88Å; G412-D448 PolarHBondContact N-OD1 3.46Å
413V62.6Low73.3Confident0 Ų035 Ų350%019%0.193CC..G310 helixtrans-67.9-36.4179.169.60000113.8V410 E415 N416 V420 V445 V450V410-V413 HydrophobicContact CB-CB 3.91Å; V410-V413 HydrophobicContact CB-CG1 4.21Å; V410-V413 HydrophobicContact CB-CG2 4.49Å; V410-V413 HydrophobicContact CG1-CB 3.99Å; V410-V413 HydrophobicContact CG1-CG2 4.45Å; V410-V413 WeakPolarHBondContact O-CB 3.25Å; V410-V413 VanDerWaalsContact O-CG1 3.26Å; V410-V413 WeakPolarHBondContact O-CG1 3.22Å; V410-V413 PolarHBondContact O-N 3.41Å; V410-V413 VanDerWaalsContact O-N 3.11Å; V413-E415 PolarHBondContact O-N 3.01Å; V413-E415 VanDerWaalsContact O-N 3.1Å; V413-N416 WeakPolarHBondContact O-CA 3.45Å; V413-N416 PolarHBondContact O-N 3.07Å; V413-V420 HydrophobicContact CG2-CB 4.3Å; V413-V445 HydrophobicContact CG1-CG1 4.1Å; V413-V445 HydrophobicContact CG2-CG1 4.13Å; V413-V450 HydrophobicContact CB-CG2 4.19Å; V413-V450 HydrophobicContact CG1-CG2 3.88Å; V413-V450 HydrophobicContact CG2-CG2 3.53Å
414S51.4Low73.5Confident53 Ų5331.4 Ų31.437%0.37117%0.168SC..G310 helixtrans-62-16.9170.160.70000113.1N416 Q446 L447S414-N416 VanDerWaalsContact C-N 3.27Å; S414-Q446 WeakPolarHBondContact CB-O 3.27Å; S414-L447 WeakPolarHBondContact CB-O 3.46Å; S414-L447 PolarHBondContact N-O 3.48Å; S414-L447 WeakPolarHBondContact OG-CA 3.32Å; S414-L447 PolarHBondContact OG-O 3.29Å
415E49.9Very low73.7Confident42 Ų4225.2 Ų25.220%0.19615%0.147CC..G310 helixtrans-96.315.2178.8-38-179.9123.900111.1G412 V413 R417 R860G412-E415 WeakPolarHBondContact CA-OE2 3.16Å; G412-E415 CarbonylContact O-C 3.5Å; G412-E415 WeakPolarHBondContact O-CA 3.29Å; G412-E415 WeakPolarHBondContact O-CB 3.46Å; G412-E415 PolarHBondContact O-N 2.91Å; V413-E415 PolarHBondContact O-N 3.01Å; V413-E415 VanDerWaalsContact O-N 3.1Å; E415-R417 VanDerWaalsContact C-N 3.31Å; E415-R417 PolarHBondContact O-N 3.13Å; E415-R860 VanDerWaalsContact CD-CZ 3.47Å; E415-R860 IonicContact OE1-CZ 2.95Å; E415-R860 IonicContact OE1-NH1 2.64Å; E415-R860 PolarHBondContact OE1-NH1 2.98Å; E415-R860 IonicContact OE2-CZ 3.24Å; E415-R860 IonicContact OE2-NH1 3.86Å; E415-R860 PolarHBondContact OE2-NH1 3.35Å; E415-R860 IonicContact OE2-NH2 3.8Å; E415-R860 PolarHBondContact OE2-NH2 3.34Å
416N54.4Low73.7Confident17 Ų1724.6 Ų24.69%0.09114%0.144CC..THydrogen-bonded Turntrans57.636-175.4-65.6-46.1000113.8V413 S414 P418 S419 D1014V413-N416 WeakPolarHBondContact O-CA 3.45Å; V413-N416 PolarHBondContact O-N 3.07Å; S414-N416 VanDerWaalsContact C-N 3.27Å; N416-P418 CarbonylContact C-O 3.5Å; N416-P418 VanDerWaalsContact C-O 3.28Å; N416-P418 CarbonylContact O-C 3.57Å; N416-S419 VanDerWaalsContact C-N 3.3Å; N416-S419 VanDerWaalsContact O-CA 3.24Å; N416-S419 WeakPolarHBondContact O-CA 3.48Å; N416-S419 WeakPolarHBondContact O-CB 3.35Å; N416-S419 PolarHBondContact O-N 3.26Å; N416-D1014 HydrophobicContact CB-CB 4.46Å; N416-D1014 WeakPolarHBondContact CB-OD2 3.41Å; N416-D1014 VanDerWaalsContact O-OD2 3.09Å
417R62.5Low73.6Confident16 Ų1625.2 Ų25.26%0.0615%0.147CC..THydrogen-bonded Turntrans-130.384.9177.8-65-169-167.5-163.6-6111.7Y384 G412 E415 Q1011Y384-R417 VanDerWaalsContact CE1-C 3.46Å; Y384-R417 HydrophobicContact CE1-CB 3.74Å; Y384-R417 WeakPolarHBondContact OH-CB 3.31Å; Y384-R417 WeakPolarHBondContact OH-CG 3.25Å; G412-R417 CarbonylContact C-O 3.58Å; G412-R417 PolarHBondContact O-N 2.88Å; E415-R417 VanDerWaalsContact C-N 3.31Å; E415-R417 PolarHBondContact O-N 3.13Å; R417-Q1011 PolarHBondContact NH1-O 3.49Å; R417-Q1011 VanDerWaalsContact NH2-C 3.34Å; R417-Q1011 PolarHBondContact NH2-O 2.94Å
418P67.1Low73.6Confident0 Ų024.3 Ų24.30%014%0.141CC..THydrogen-bonded Turncis-75.7153.54.825.1-24.1000112.9I381 Y384 V410 N416 V420 F472I381-P418 HydrophobicContact CG1-CB 4.23Å; Y384-P418 HydrophobicContact CD1-CB 4.12Å; Y384-P418 HydrophobicContact CD1-CG 4.24Å; Y384-P418 HydrophobicContact CD2-CB 3.66Å; Y384-P418 HydrophobicContact CE2-CB 4.29Å; Y384-P418 HydrophobicContact CG-CB 3.56Å; Y384-P418 HydrophobicContact CG-CG 3.92Å; V410-P418 HydrophobicContact CG1-CG 4.05Å; N416-P418 CarbonylContact C-O 3.5Å; N416-P418 VanDerWaalsContact C-O 3.28Å; N416-P418 CarbonylContact O-C 3.57Å; P418-V420 HydrophobicContact CB-CG2 4Å; P418-V420 HydrophobicContact CG-CG2 3.91Å; P418-V420 PolarHBondContact O-N 2.81Å; P418-F472 HydrophobicContact CB-CD1 3.88Å; P418-F472 HydrophobicContact CB-CE1 4.3Å; P418-F472 HydrophobicContact CB-CG 4.25Å; P418-F472 HydrophobicContact CG-CD1 3.22Å; P418-F472 HydrophobicContact CG-CD2 4.35Å; P418-F472 HydrophobicContact CG-CE1 3.17Å; P418-F472 HydrophobicContact CG-CE2 4.31Å; P418-F472 HydrophobicContact CG-CG 3.86Å; P418-F472 HydrophobicContact CG-CZ 3.75Å
419S69.9Low73.6Confident8 Ų824.8 Ų24.86%0.05614%0.143CC..  trans-76.998.1178.9177.10000109N416 R1018N416-S419 VanDerWaalsContact C-N 3.3Å; N416-S419 VanDerWaalsContact O-CA 3.24Å; N416-S419 WeakPolarHBondContact O-CA 3.48Å; N416-S419 WeakPolarHBondContact O-CB 3.35Å; N416-S419 PolarHBondContact O-N 3.26Å; S419-R1018 WeakPolarHBondContact OG-CD 3.47Å; S419-R1018 PolarHBondContact OG-NH1 2.79Å
420V75.9Confident73.7Confident1 Ų120.1 Ų20.11%0.00612%0.123CC..  trans-131.1130.1-172.8178.30000108.2V413 P418 D424 L426 V442 V445 F472V413-V420 HydrophobicContact CG2-CB 4.3Å; P418-V420 HydrophobicContact CB-CG2 4Å; P418-V420 HydrophobicContact CG-CG2 3.91Å; P418-V420 PolarHBondContact O-N 2.81Å; V420-D424 HydrophobicContact CG1-CB 4.3Å; V420-L426 HydrophobicContact CG1-CD2 4.45Å; V420-L426 HydrophobicContact CG2-CD2 4.25Å; V420-V442 HydrophobicContact CG1-CB 4.37Å; V420-V442 HydrophobicContact CG1-CG1 4.27Å; V420-V442 HydrophobicContact CG1-CG2 3.44Å; V420-V442 VanDerWaalsContact CG1-CG2 3.44Å; V420-V445 WeakPolarHBondContact O-CG2 3.42Å; V420-F472 HydrophobicContact CG2-CD1 3.9Å; V420-F472 HydrophobicContact CG2-CE1 4.3Å
421L74.9Confident74Confident18 Ų1824 Ų249%0.09414%0.14CC..  trans-115165.3-177.1-59169.1000112.1G423 D424 V442 R1018 N1019L421-G423 PolarHBondContact O-N 3.46Å; L421-D424 PolarHBondContact N-OD2 3.35Å; L421-D424 WeakPolarHBondContact O-CB 3.37Å; L421-D424 PolarHBondContact O-N 2.63Å; L421-D424 VanDerWaalsContact O-N 3.08Å; L421-V442 VanDerWaalsContact O-CB 3.23Å; L421-V442 WeakPolarHBondContact O-CB 3.38Å; L421-V442 VanDerWaalsContact O-CG1 3.25Å; L421-V442 WeakPolarHBondContact O-CG1 3.33Å; L421-R1018 HydrophobicContact CD1-CB 3.99Å; L421-R1018 WeakPolarHBondContact CD1-O 3.41Å; L421-R1018 HydrophobicContact CD2-CB 4.27Å; L421-R1018 HydrophobicContact CG-CB 4.48Å; L421-N1019 WeakPolarHBondContact CD2-OD1 3.37Å
422R79.4Confident74.5Confident55 Ų5523.1 Ų23.121%0.20815%0.148CC..THydrogen-bonded Turntrans-57.6128.6167.4-177.7176.7-179.4-131.73.3110H443R422-H443 WeakPolarHBondContact CG-O 3.46Å; R422-H443 PolarHBondContact NE-O 3.36Å
423G78.2Confident75.5Confident39 Ų3926 Ų2640%0.40216%0.159SC..THydrogen-bonded Turntrans91.8-14.9-176.900000114.9L421 V442L421-G423 PolarHBondContact O-N 3.46Å; G423-V442 PolarHBondContact N-O 3.12Å
424D83.7Confident75.9Confident13 Ų1331.8 Ų31.87%0.0719%0.185CC..  trans-64.9167.5171.1-73.6-16.2000110.8V420 L421 Y441 V442 N475V420-D424 HydrophobicContact CG1-CB 4.3Å; L421-D424 PolarHBondContact N-OD2 3.35Å; L421-D424 WeakPolarHBondContact O-CB 3.37Å; L421-D424 PolarHBondContact O-N 2.63Å; L421-D424 VanDerWaalsContact O-N 3.08Å; D424-Y441 CarbonylContact O-C 3.57Å; D424-Y441 WeakPolarHBondContact O-CA 3.45Å; D424-V442 HydrophobicContact CB-CG2 4.24Å; D424-V442 WeakPolarHBondContact O-CG2 3.47Å; D424-V442 PolarHBondContact O-N 3.44Å; D424-N475 WeakPolarHBondContact OD1-CB 3.29Å
425S87.2Confident77.2Confident13 Ų1336.8 Ų36.89%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-130.4144.6178.868.70000112.5R439 G440 T473S425-R439 PolarHBondContact OG-NH1 2.94Å; S425-G440 CarbonylContact C-O 3.55Å; S425-G440 VanDerWaalsContact CA-O 3.28Å; S425-G440 WeakPolarHBondContact CA-O 3.36Å; S425-T473 PolarHBondContact O-OG1 2.88Å
426L91.1Very high78.9Confident0 Ų036.4 Ų36.40%020%0.202CC..EExtended strand (participates in β ladder)trans-113.7153.8171.9-49.4179.5000108.7L408 V420 R439 G440 L452 V470 F472L408-L426 HydrophobicContact CD2-CD1 4.09Å; V420-L426 HydrophobicContact CG1-CD2 4.45Å; V420-L426 HydrophobicContact CG2-CD2 4.25Å; L426-R439 CarbonylContact O-C 3.18Å; L426-R439 WeakPolarHBondContact O-CA 3.34Å; L426-G440 PolarHBondContact N-O 2.63Å; L426-G440 PolarHBondContact O-N 3.46Å; L426-L452 HydrophobicContact CD1-CD1 4.08Å; L426-L452 HydrophobicContact CD1-CD2 3.88Å; L426-L452 HydrophobicContact CG-CD2 4.25Å; L426-V470 HydrophobicContact CB-CG1 4.48Å; L426-V470 HydrophobicContact CD1-CG1 4.45Å; L426-F472 HydrophobicContact CD1-CD1 4.07Å; L426-F472 HydrophobicContact CD1-CE1 3.79Å; L426-F472 HydrophobicContact CD2-CB 4.24Å; L426-F472 HydrophobicContact CD2-CD1 3.39Å; L426-F472 HydrophobicContact CD2-CE1 4Å; L426-F472 HydrophobicContact CD2-CG 4.08Å; L426-F472 HydrophobicContact CG-CD1 4.36Å
427L90.3Very high80.6Confident13 Ų1336.4 Ų36.47%0.06820%0.202CC..EExtended strand (participates in β ladder)trans-103128.1171.5-60.2174.8000108.9I293 K437 R439 V470 E471 T473I293-L427 HydrophobicContact CD1-CD2 4.45Å; I293-L427 HydrophobicContact CG2-CD2 4.17Å; L427-K437 HydrophobicContact CB-CD 4.5Å; L427-K437 HydrophobicContact CD1-CD 4.36Å; L427-R439 HydrophobicContact CD2-CB 4.17Å; L427-R439 HydrophobicContact CD2-CG 4.3Å; L427-V470 CarbonylContact O-C 3.53Å; L427-V470 WeakPolarHBondContact O-CA 3.46Å; L427-E471 HydrophobicContact CB-CB 4.15Å; L427-E471 PolarHBondContact N-O 3.44Å; L427-E471 PolarHBondContact O-N 3.48Å; L427-T473 HydrophobicContact CD1-CG2 4.34Å; L427-T473 HydrophobicContact CG-CG2 4.19Å
428V91Very high82Confident0 Ų035.8 Ų35.80%020%0.199CC..EExtended strand (participates in β ladder)trans-128.5136.6-176.7-177.50000109.7L396 Y438 F454 F468 N469 V470L396-V428 HydrophobicContact CD1-CG1 4.17Å; V428-Y438 PolarHBondContact N-O 3.11Å; V428-Y438 WeakPolarHBondContact O-CA 3.35Å; V428-Y438 WeakPolarHBondContact O-CB 3.47Å; V428-Y438 PolarHBondContact O-N 2.94Å; V428-F454 HydrophobicContact CB-CE1 3.86Å; V428-F454 HydrophobicContact CB-CZ 4.01Å; V428-F454 HydrophobicContact CG1-CZ 4.5Å; V428-F454 HydrophobicContact CG2-CE1 3.88Å; V428-F454 HydrophobicContact CG2-CZ 3.68Å; V428-F468 HydrophobicContact CG1-CB 3.76Å; V428-F468 HydrophobicContact CG1-CD1 3.48Å; V428-F468 VanDerWaalsContact CG1-CD1 3.48Å; V428-F468 HydrophobicContact CG1-CE1 4.26Å; V428-F468 HydrophobicContact CG1-CG 3.78Å; V428-N469 WeakPolarHBondContact CA-O 3.43Å; V428-V470 HydrophobicContact CG1-CG2 4.5Å; V428-V470 HydrophobicContact CG2-CG1 4.28Å; V428-V470 HydrophobicContact CG2-CG2 4.21Å
429Y90.1Very high83.2Confident12 Ų1239.2 Ų39.25%0.04721%0.212CC..EExtended strand (participates in β ladder)trans-145.4142.1177.655.1-82000111.6E433 V436 K437 F468 N469 E471Y429-E433 WeakPolarHBondContact CD2-O 3.5Å; Y429-V436 WeakPolarHBondContact CB-O 3.37Å; Y429-K437 HydrophobicContact CD1-CD 4.17Å; Y429-K437 HydrophobicContact CD1-CG 3.92Å; Y429-K437 HydrophobicContact CE1-CD 4.45Å; Y429-K437 HydrophobicContact CG-CG 4.26Å; Y429-F468 WeakPolarHBondContact O-CA 3.43Å; Y429-N469 HydrophobicContact CD1-CB 4.14Å; Y429-N469 HydrophobicContact CD2-CB 3.89Å; Y429-N469 HydrophobicContact CE1-CB 3.68Å; Y429-N469 HydrophobicContact CE2-CB 3.42Å; Y429-N469 VanDerWaalsContact CE2-CB 3.42Å; Y429-N469 VanDerWaalsContact CE2-ND2 3.26Å; Y429-N469 WeakPolarHBondContact CE2-ND2 3.4Å; Y429-N469 HydrophobicContact CG-CB 4.23Å; Y429-N469 PolarHBondContact N-O 2.99Å; Y429-N469 PolarHBondContact O-N 3.23Å; Y429-N469 PolarHBondContact OH-ND2 3.39Å; Y429-E471 HydrophobicContact CE1-CG 4.15Å; Y429-E471 WeakPolarHBondContact CE1-OE1 3.47Å; Y429-E471 PolarHBondContact OH-OE1 3.33Å
430P88.3Confident84.2Confident15 Ų1538.9 Ų38.910%0.09721%0.21CC..EExtended strand (participates in β ladder)trans-59.1144.1178.4-22.332.4000112.3G432 E433 F468P430-G432 PolarHBondContact O-N 2.95Å; P430-E433 HydrophobicContact CB-CB 4.38Å; P430-E433 HydrophobicContact CB-CG 4.43Å; P430-E433 PolarHBondContact O-N 2.82Å; P430-E433 VanDerWaalsContact O-N 3.07Å; P430-F468 HydrophobicContact CB-CE1 4.46Å; P430-F468 HydrophobicContact CG-CD1 4.36Å; P430-F468 HydrophobicContact CG-CE1 3.96Å
431Q82.6Confident84.9Confident91 Ų9140.7 Ų40.743%0.42522%0.217SC..THydrogen-bonded Turntrans-60.7121.2177.4-165.8-18028.600110.2K467Q431-K467 HydrophobicContact CB-CB 4.06Å; Q431-K467 PolarHBondContact N-O 2.91Å; Q431-K467 VanDerWaalsContact OE1-CD 3.23Å
432G76.3Confident85.5Confident73 Ų7339.9 Ų39.975%0.75321%0.212SC*.THydrogen-bonded Turntrans99.6-17.1-177.500000115P430P430-G432 PolarHBondContact O-N 2.95Å
433E79.6Confident85.7Confident67 Ų6738.7 Ų38.731%0.31321%0.209SC..  trans-101.8105.2176-64.9-173.9-16900110Y429 P430 R461Y429-E433 WeakPolarHBondContact CD2-O 3.5Å; P430-E433 HydrophobicContact CB-CB 4.38Å; P430-E433 HydrophobicContact CB-CG 4.43Å; P430-E433 PolarHBondContact O-N 2.82Å; P430-E433 VanDerWaalsContact O-N 3.07Å; E433-R461 IonicContact OE1-CZ 2.7Å; E433-R461 IonicContact OE1-NH1 3.71Å; E433-R461 PolarHBondContact OE1-NH1 3.06Å; E433-R461 IonicContact OE1-NH2 3.01Å; E433-R461 PolarHBondContact OE1-NH2 3.37Å; E433-R461 IonicContact OE2-CZ 3.71Å; E433-R461 IonicContact OE2-NH1 2.91Å; E433-R461 PolarHBondContact OE2-NH1 2.64Å; E433-R461 IonicContact OE2-NH2 2.94Å
434K69.4Low85.9Confident122 Ų12238.5 Ų38.553%0.5320%0.202SC..  trans-102.1-8.8-178.1-66-173.6178.7-177.40114.6L289L289-K434 HydrophobicContact CD1-CB 4.09Å; L289-K434 HydrophobicContact CD1-CD 3.92Å
435E79.9Confident85.7Confident157 Ų15740.4 Ų40.473%0.73421%0.214SC*.SBendtrans-84.3-22.4-174.4-62.6-176172.700113Y291 R292Y291-E435 CarbonylContact C-O 3.58Å; Y291-E435 VanDerWaalsContact CA-O 3.32Å; Y291-E435 WeakPolarHBondContact CA-O 3.44Å; R292-E435 PolarHBondContact N-O 2.93Å
436V85.8Confident85.2Confident34 Ų3443.2 Ų43.221%0.20623%0.225CC..EExtended strand (participates in β ladder)trans-127.5129.1-176.6-178.50000109.9R292 I294 Y429 Y438R292-V436 WeakPolarHBondContact O-CA 3.48Å; I294-V436 HydrophobicContact CD1-CG1 3.37Å; I294-V436 HydrophobicContact CG1-CG1 3.82Å; Y429-V436 WeakPolarHBondContact CB-O 3.37Å; V436-Y438 HydrophobicContact CG1-CE1 4.29Å; V436-Y438 HydrophobicContact CG1-CE2 3.97Å
437K90.5Very high84Confident17 Ų1749.6 Ų49.67%0.07426%0.259CS..EExtended strand (participates in β ladder)trans-118.8133.6172-63.7-173.4176.4-178.30109.8Y291 R292 I293 I294 L427 Y429 E471Y291-K437 HydrophobicContact CD1-CD 4.35Å; Y291-K437 HydrophobicContact CD2-CB 4.42Å; Y291-K437 HydrophobicContact CD2-CD 3.74Å; Y291-K437 HydrophobicContact CD2-CG 4.08Å; Y291-K437 HydrophobicContact CE2-CD 3.9Å; Y291-K437 HydrophobicContact CG-CD 4Å; Y291-K437 HydrophobicContact CG-CG 4.3Å; R292-K437 PolarHBondContact O-N 2.81Å; I293-K437 CarbonylContact C-O 3.6Å; I293-K437 VanDerWaalsContact CA-O 3.28Å; I293-K437 WeakPolarHBondContact CA-O 3.35Å; I294-K437 PolarHBondContact N-O 2.94Å; L427-K437 HydrophobicContact CB-CD 4.5Å; L427-K437 HydrophobicContact CD1-CD 4.36Å; Y429-K437 HydrophobicContact CD1-CD 4.17Å; Y429-K437 HydrophobicContact CD1-CG 3.92Å; Y429-K437 HydrophobicContact CE1-CD 4.45Å; Y429-K437 HydrophobicContact CG-CG 4.26Å; K437-E471 WeakPolarHBondContact CE-OE1 3.4Å; K437-E471 IonicContact NZ-OE1 2.8Å; K437-E471 PolarHBondContact NZ-OE1 3.28Å; K437-E471 IonicContact NZ-OE2 2.75Å; K437-E471 PolarHBondContact NZ-OE2 2.95Å
438Y91.4Very high83.2Confident3 Ų353.2 Ų53.21%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-98125.8176.9-61.1-85.2000109.6I294 V428 V436 E457 L458I294-Y438 HydrophobicContact CB-CD1 3.81Å; I294-Y438 HydrophobicContact CB-CE1 4.06Å; I294-Y438 HydrophobicContact CD1-CD1 4.34Å; I294-Y438 HydrophobicContact CD1-CE1 3.71Å; I294-Y438 HydrophobicContact CG1-CE1 4.41Å; I294-Y438 HydrophobicContact CG2-CD1 3.99Å; I294-Y438 HydrophobicContact CG2-CE1 4.13Å; I294-Y438 WeakPolarHBondContact O-CA 3.46Å; V428-Y438 PolarHBondContact N-O 3.11Å; V428-Y438 WeakPolarHBondContact O-CA 3.35Å; V428-Y438 WeakPolarHBondContact O-CB 3.47Å; V428-Y438 PolarHBondContact O-N 2.94Å; V436-Y438 HydrophobicContact CG1-CE1 4.29Å; V436-Y438 HydrophobicContact CG1-CE2 3.97Å; Y438-E457 HydrophobicContact CE1-CG 4.47Å; Y438-E457 PolarHBondContact OH-OE1 3.49Å; Y438-L458 HydrophobicContact CD1-CB 3.7Å; Y438-L458 HydrophobicContact CD1-CD1 4.46Å; Y438-L458 HydrophobicContact CD1-CD2 4.42Å; Y438-L458 HydrophobicContact CD1-CG 4.4Å; Y438-L458 HydrophobicContact CD2-CD1 3.82Å; Y438-L458 HydrophobicContact CD2-CD2 4.21Å; Y438-L458 HydrophobicContact CD2-CG 4.41Å; Y438-L458 HydrophobicContact CE1-CB 3.9Å; Y438-L458 HydrophobicContact CE1-CD1 4.45Å; Y438-L458 HydrophobicContact CE2-CD1 3.82Å; Y438-L458 HydrophobicContact CG-CB 4.03Å; Y438-L458 HydrophobicContact CG-CD1 4.15Å; Y438-L458 HydrophobicContact CG-CD2 3.9Å; Y438-L458 HydrophobicContact CG-CG 4.24Å
439R92.1Very high82.8Confident73 Ų7353.8 Ų53.828%0.27528%0.282SS..EExtended strand (participates in β ladder)trans-79.6121.9172.6-169.1179.6-59.9-119.31.9109I293 I294 D295 G296 S425 L426 L427 Y441I293-R439 HydrophobicContact CG2-CB 4.19Å; I294-R439 PolarHBondContact O-N 2.66Å; D295-R439 WeakPolarHBondContact OD1-CB 3.36Å; D295-R439 WeakPolarHBondContact OD1-CD 3.31Å; D295-R439 IonicContact OD1-NE 3.81Å; G296-R439 WeakPolarHBondContact CA-O 3.41Å; G296-R439 PolarHBondContact N-O 3.08Å; G296-R439 VanDerWaalsContact N-O 3.16Å; S425-R439 PolarHBondContact OG-NH1 2.94Å; L426-R439 CarbonylContact O-C 3.18Å; L426-R439 WeakPolarHBondContact O-CA 3.34Å; L427-R439 HydrophobicContact CD2-CB 4.17Å; L427-R439 HydrophobicContact CD2-CG 4.3Å; R439-Y441 VanDerWaalsContact CD-CZ 3.49Å; R439-Y441 WeakPolarHBondContact CD-OH 3.33Å; R439-Y441 HydrophobicContact CG-CE2 4.25Å
440G91.6Very high82.7Confident0 Ų053.2 Ų53.20%028%0.28CS..EExtended strand (participates in β ladder)trans-104119.6171.700000110S425 L426 G453 F454S425-G440 CarbonylContact C-O 3.55Å; S425-G440 VanDerWaalsContact CA-O 3.28Å; S425-G440 WeakPolarHBondContact CA-O 3.36Å; L426-G440 PolarHBondContact N-O 2.63Å; L426-G440 PolarHBondContact O-N 3.46Å; G440-G453 WeakPolarHBondContact CA-O 3.49Å; G440-F454 VanDerWaalsContact CA-CD1 3.5Å
441Y89.6Confident82.8Confident40 Ų4055.3 Ų55.316%0.15729%0.286CS..EExtended strand (participates in β ladder)trans-88.3141.1176.4-71.5-83.9000111.1D295 P298 D424 R439 H443 L452 G453D295-Y441 WeakPolarHBondContact OD1-CE2 3.48Å; D295-Y441 PolarHBondContact OD1-OH 3.3Å; D295-Y441 PolarHBondContact OD2-OH 2.93Å; D295-Y441 VanDerWaalsContact OD2-OH 3.11Å; P298-Y441 HydrophobicContact CB-CD1 3.95Å; P298-Y441 HydrophobicContact CB-CD2 3.88Å; P298-Y441 HydrophobicContact CB-CE1 4.29Å; P298-Y441 HydrophobicContact CB-CE2 4.22Å; P298-Y441 HydrophobicContact CB-CG 3.73Å; D424-Y441 CarbonylContact O-C 3.57Å; D424-Y441 WeakPolarHBondContact O-CA 3.45Å; R439-Y441 VanDerWaalsContact CD-CZ 3.49Å; R439-Y441 WeakPolarHBondContact CD-OH 3.33Å; R439-Y441 HydrophobicContact CG-CE2 4.25Å; Y441-H443 PolarHBondContact O-CD2 3.08Å; Y441-H443 PolarHBondContact O-N 3.23Å; Y441-L452 CarbonylContact O-C 3.58Å; Y441-L452 VanDerWaalsContact O-CA 3.24Å; Y441-L452 WeakPolarHBondContact O-CA 3.44Å; Y441-G453 PolarHBondContact N-O 3.38Å; Y441-G453 PolarHBondContact O-N 2.95Å
442V88.1Confident83.2Confident0 Ų051 Ų510%027%0.266CS..EExtended strand (participates in β ladder)trans-80.4114-177.7179.40000109.9V420 L421 G423 D424 V445 V450 L452V420-V442 HydrophobicContact CG1-CB 4.37Å; V420-V442 HydrophobicContact CG1-CG1 4.27Å; V420-V442 HydrophobicContact CG1-CG2 3.44Å; V420-V442 VanDerWaalsContact CG1-CG2 3.44Å; L421-V442 VanDerWaalsContact O-CB 3.23Å; L421-V442 WeakPolarHBondContact O-CB 3.38Å; L421-V442 VanDerWaalsContact O-CG1 3.25Å; L421-V442 WeakPolarHBondContact O-CG1 3.33Å; G423-V442 PolarHBondContact N-O 3.12Å; D424-V442 HydrophobicContact CB-CG2 4.24Å; D424-V442 WeakPolarHBondContact O-CG2 3.47Å; D424-V442 PolarHBondContact O-N 3.44Å; V442-V445 HydrophobicContact CG1-CG2 3.91Å; V442-V450 HydrophobicContact CB-CG1 4.18Å; V442-V450 HydrophobicContact CG1-CG1 3.5Å; V442-V450 VanDerWaalsContact CG1-CG1 3.5Å; V442-V450 HydrophobicContact CG2-CG1 3.88Å; V442-L452 HydrophobicContact CG2-CD2 3.8Å
443H84.3Confident83.9Confident31 Ų3147.5 Ų47.514%0.14423%0.23CC..EExtended strand (participates in β ladder)trans-87.8-37.7177.7-79.2-133.6000112Q297 P299 L405 R422 Y441 R451Q297-H443 PolarHBondContact O-NE2 3.14Å; P299-H443 WeakPolarHBondContact CA-CE1 3.35Å; P299-H443 WeakPolarHBondContact CA-NE2 3.5Å; L405-H443 HydrophobicContact CD1-CB 4.24Å; L405-H443 VanDerWaalsContact CD2-CE1 3.43Å; L405-H443 WeakPolarHBondContact CD2-CE1 3.48Å; L405-H443 WeakPolarHBondContact CD2-ND1 3.39Å; R422-H443 WeakPolarHBondContact CG-O 3.46Å; R422-H443 PolarHBondContact NE-O 3.36Å; Y441-H443 PolarHBondContact O-CD2 3.08Å; Y441-H443 PolarHBondContact O-N 3.23Å; H443-R451 HydrophobicContact CB-CB 4.39Å; H443-R451 PolarHBondContact N-O 3.23Å
444S80.9Confident84.5Confident34 Ų3444.3 Ų44.324%0.23822%0.215CC..EExtended strand (participates in β ladder)trans-159.2146.717566.60000111.1R451S444-R451 PolarHBondContact O-N 3.26Å; S444-R451 VanDerWaalsContact OG-CD 3.28Å; S444-R451 WeakPolarHBondContact OG-CD 3.27Å; S444-R451 WeakPolarHBondContact OG-CG 3.44Å
445V79.3Confident85.6Confident53 Ų5338.8 Ų38.832%0.32119%0.192SC..EExtended strand (participates in β ladder)trans-100.5131.1172.7-176.10000108.6V413 V420 V442V413-V445 HydrophobicContact CG1-CG1 4.1Å; V413-V445 HydrophobicContact CG2-CG1 4.13Å; V420-V445 WeakPolarHBondContact O-CG2 3.42Å; V442-V445 HydrophobicContact CG1-CG2 3.91Å
446Q76.5Confident85.9Confident72 Ų7234.6 Ų34.634%0.33618%0.179SC..  trans-111179.7174.1-55.9-176.73.300109.7S414 D448 S449 R451S414-Q446 WeakPolarHBondContact CB-O 3.27Å; Q446-D448 PolarHBondContact O-N 3.24Å; Q446-S449 WeakPolarHBondContact CA-O 3.46Å; Q446-S449 WeakPolarHBondContact CB-O 3.27Å; Q446-S449 PolarHBondContact N-O 3.47Å; Q446-S449 PolarHBondContact OE1-OG 2.82Å; Q446-R451 VanDerWaalsContact NE2-CZ 3.28Å
447L65.8Low86Confident134 Ų13437.7 Ų37.770%0.70219%0.191SC*.SBendtrans-48.6-56.4-178.8-74.2168.1000112.8S414S414-L447 WeakPolarHBondContact CB-O 3.46Å; S414-L447 PolarHBondContact N-O 3.48Å; S414-L447 WeakPolarHBondContact OG-CA 3.32Å; S414-L447 PolarHBondContact OG-O 3.29Å
448D73.4Confident85.9Confident90 Ų9037 Ų3748%0.48119%0.188SC..SBendtrans-129.522.8-178.4-67.3-53.6000112.6V410 G412 Q446V410-D448 CarbonylContact C-O 3.56Å; V410-D448 PolarHBondContact N-O 2.92Å; V410-D448 CarbonylContact O-C 3.58Å; G412-D448 PolarHBondContact N-OD1 3.46Å; Q446-D448 PolarHBondContact O-N 3.24Å
449S83.6Confident85.7Confident12 Ų1237.9 Ų37.98%0.08419%0.193CC..EExtended strand (participates in β ladder)trans-150.9159.6-179.780.20000113.4L408 Q446L408-S449 CarbonylContact O-C 3.58Å; L408-S449 WeakPolarHBondContact O-CA 3.32Å; L408-S449 WeakPolarHBondContact O-CB 3.34Å; Q446-S449 WeakPolarHBondContact CA-O 3.46Å; Q446-S449 WeakPolarHBondContact CB-O 3.27Å; Q446-S449 PolarHBondContact N-O 3.47Å; Q446-S449 PolarHBondContact OE1-OG 2.82Å
450V88.3Confident85.4Confident0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-125.9130.8178.4-169.90000109.5V407 L408 V410 V413 V442 L452V407-V450 WeakPolarHBondContact CA-O 3.43Å; L408-V450 PolarHBondContact N-O 3.19Å; L408-V450 PolarHBondContact O-N 2.87Å; V410-V450 HydrophobicContact CG2-CG2 4.3Å; V413-V450 HydrophobicContact CB-CG2 4.19Å; V413-V450 HydrophobicContact CG1-CG2 3.88Å; V413-V450 HydrophobicContact CG2-CG2 3.53Å; V442-V450 HydrophobicContact CB-CG1 4.18Å; V442-V450 HydrophobicContact CG1-CG1 3.5Å; V442-V450 VanDerWaalsContact CG1-CG1 3.5Å; V442-V450 HydrophobicContact CG2-CG1 3.88Å; V450-L452 HydrophobicContact CG1-CD2 3.88Å; V450-L452 HydrophobicContact CG1-CG 4.33Å
451R90.1Very high85.1Confident58 Ų5847.3 Ų47.322%0.21924%0.239CC..EExtended strand (participates in β ladder)trans-86.4123.7171.4-65.4-169.9171154.3-10.4109.8D399 L405 V407 H443 S444 Q446D399-R451 IonicContact OD1-CZ 2.82Å; D399-R451 IonicContact OD1-NE 2.89Å; D399-R451 IonicContact OD1-NH2 2.68Å; D399-R451 IonicContact OD2-CZ 3.58Å; D399-R451 IonicContact OD2-NE 3.15Å; D399-R451 PolarHBondContact OD2-NE 3.43Å; D399-R451 IonicContact OD2-NH2 2.64Å; D399-R451 PolarHBondContact OD2-NH2 3.43Å; L405-R451 HydrophobicContact CD1-CB 4.38Å; V407-R451 HydrophobicContact CG2-CG 4.37Å; H443-R451 HydrophobicContact CB-CB 4.39Å; H443-R451 PolarHBondContact N-O 3.23Å; S444-R451 PolarHBondContact O-N 3.26Å; S444-R451 VanDerWaalsContact OG-CD 3.28Å; S444-R451 WeakPolarHBondContact OG-CD 3.27Å; S444-R451 WeakPolarHBondContact OG-CG 3.44Å; Q446-R451 VanDerWaalsContact NE2-CZ 3.28Å
452L92Very high84.9Confident0 Ų045.9 Ų45.90%023%0.233CC..EExtended strand (participates in β ladder)trans-118.4132.1-174.3-61.4171.2000111.6L396 L405 L406 L408 L426 Y441 V442 V450 F454L396-L452 HydrophobicContact CD2-CD1 4.42Å; L405-L452 WeakPolarHBondContact CA-O 3.35Å; L406-L452 PolarHBondContact N-O 2.85Å; L406-L452 WeakPolarHBondContact O-CB 3.39Å; L406-L452 PolarHBondContact O-N 3.34Å; L408-L452 HydrophobicContact CB-CD1 3.89Å; L408-L452 HydrophobicContact CD2-CD1 4.23Å; L426-L452 HydrophobicContact CD1-CD1 4.08Å; L426-L452 HydrophobicContact CD1-CD2 3.88Å; L426-L452 HydrophobicContact CG-CD2 4.25Å; Y441-L452 CarbonylContact O-C 3.58Å; Y441-L452 VanDerWaalsContact O-CA 3.24Å; Y441-L452 WeakPolarHBondContact O-CA 3.44Å; V442-L452 HydrophobicContact CG2-CD2 3.8Å; V450-L452 HydrophobicContact CG1-CD2 3.88Å; V450-L452 HydrophobicContact CG1-CG 4.33Å; L452-F454 HydrophobicContact CB-CD2 4.05Å; L452-F454 HydrophobicContact CB-CE2 3.4Å; L452-F454 VanDerWaalsContact CB-CE2 3.4Å; L452-F454 HydrophobicContact CB-CZ 3.96Å; L452-F454 HydrophobicContact CD1-CE2 3.95Å; L452-F454 HydrophobicContact CD1-CZ 3.84Å; L452-F454 HydrophobicContact CG-CE2 4.33Å
453G90.6Very high84.6Confident1 Ų152.3 Ų52.31%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-96.6124.1170.600000111.3Q297 G440 Y441Q297-G453 CarbonylContact O-C 3.59Å; Q297-G453 WeakPolarHBondContact O-CA 3.47Å; G440-G453 WeakPolarHBondContact CA-O 3.49Å; Y441-G453 PolarHBondContact N-O 3.38Å; Y441-G453 PolarHBondContact O-N 2.95Å
454F92.3Very high84.4Confident0 Ų057.2 Ų57.20%029%0.292CS..  trans-117.4173.1-176.6-73.3-79.8000112Q297 L396 L406 V428 G440 L452 L458 L459Q297-F454 PolarHBondContact N-O 3.2Å; L396-F454 HydrophobicContact CD1-CE2 3.95Å; L396-F454 HydrophobicContact CD1-CZ 4.13Å; L406-F454 HydrophobicContact CB-CD2 3.99Å; L406-F454 HydrophobicContact CB-CE2 3.94Å; L406-F454 HydrophobicContact CD1-CD2 3.75Å; L406-F454 HydrophobicContact CD1-CE2 4.03Å; L406-F454 HydrophobicContact CG-CD2 4.08Å; L406-F454 HydrophobicContact CG-CE2 4.42Å; V428-F454 HydrophobicContact CB-CE1 3.86Å; V428-F454 HydrophobicContact CB-CZ 4.01Å; V428-F454 HydrophobicContact CG1-CZ 4.5Å; V428-F454 HydrophobicContact CG2-CE1 3.88Å; V428-F454 HydrophobicContact CG2-CZ 3.68Å; G440-F454 VanDerWaalsContact CA-CD1 3.5Å; L452-F454 HydrophobicContact CB-CD2 4.05Å; L452-F454 HydrophobicContact CB-CE2 3.4Å; L452-F454 VanDerWaalsContact CB-CE2 3.4Å; L452-F454 HydrophobicContact CB-CZ 3.96Å; L452-F454 HydrophobicContact CD1-CE2 3.95Å; L452-F454 HydrophobicContact CD1-CZ 3.84Å; L452-F454 HydrophobicContact CG-CE2 4.33Å; F454-L458 HydrophobicContact CB-CB 4.36Å; F454-L458 HydrophobicContact CB-CD2 3.97Å; F454-L458 HydrophobicContact CD1-CD2 3.5Å; F454-L458 VanDerWaalsContact CD1-CD2 3.5Å; F454-L458 HydrophobicContact CD2-CD2 4.25Å; F454-L458 HydrophobicContact CE1-CD2 3.95Å; F454-L458 HydrophobicContact CG-CD2 3.66Å; F454-L458 HydrophobicContact CZ-CD2 4.49Å; F454-L459 HydrophobicContact CB-CD2 4.49Å; F454-L459 HydrophobicContact CB-CG 4.44Å
455S91.8Very high84.3Confident6 Ų657.7 Ų57.74%0.04230%0.303CS..  trans-66.3149.9175.470.70000110.7D295 E457 L458 L459D295-S455 VanDerWaalsContact O-CB 3.23Å; D295-S455 WeakPolarHBondContact O-CB 3.36Å; S455-E457 PolarHBondContact O-N 3.27Å; S455-E457 VanDerWaalsContact O-N 3.13Å; S455-L458 PolarHBondContact O-N 3.23Å; S455-L458 VanDerWaalsContact O-N 3.12Å; S455-L458 PolarHBondContact OG-N 3.08Å; S455-L459 WeakPolarHBondContact O-CG 3.46Å; S455-L459 PolarHBondContact O-N 3.42Å; S455-L459 VanDerWaalsContact O-N 3.13Å
456P86.6Confident84.7Confident69 Ų6957.4 Ų57.445%0.44830%0.299SS..Hα-helixtrans-54.4-30.8171.5-26.334.9000112.8L459 N460P456-L459 PolarHBondContact O-N 3.01Å; P456-N460 VanDerWaalsContact O-CB 3.31Å; P456-N460 WeakPolarHBondContact O-CB 3.48Å; P456-N460 PolarHBondContact O-N 3.17Å; P456-N460 PolarHBondContact O-ND2 3.47Å
457E87.4Confident85.4Confident98 Ų9857.9 Ų57.946%0.45830%0.3SS..Hα-helixtrans-59.9-47.7176.9-169.8-176.3141.900112.3I294 Y438 S455 R461I294-E457 WeakPolarHBondContact CD1-OE1 3.44Å; I294-E457 WeakPolarHBondContact CD1-OE2 3.28Å; Y438-E457 HydrophobicContact CE1-CG 4.47Å; Y438-E457 PolarHBondContact OH-OE1 3.49Å; S455-E457 PolarHBondContact O-N 3.27Å; S455-E457 VanDerWaalsContact O-N 3.13Å; E457-R461 WeakPolarHBondContact O-CB 3.14Å; E457-R461 PolarHBondContact O-N 2.89Å
458L87.4Confident86.5Confident4 Ų451.5 Ų51.52%0.02127%0.266CS..Hα-helixtrans-69.2-41.9176-176.363.1000111.3Y438 F454 S455 N460 R461 Y462 F468Y438-L458 HydrophobicContact CD1-CB 3.7Å; Y438-L458 HydrophobicContact CD1-CD1 4.46Å; Y438-L458 HydrophobicContact CD1-CD2 4.42Å; Y438-L458 HydrophobicContact CD1-CG 4.4Å; Y438-L458 HydrophobicContact CD2-CD1 3.82Å; Y438-L458 HydrophobicContact CD2-CD2 4.21Å; Y438-L458 HydrophobicContact CD2-CG 4.41Å; Y438-L458 HydrophobicContact CE1-CB 3.9Å; Y438-L458 HydrophobicContact CE1-CD1 4.45Å; Y438-L458 HydrophobicContact CE2-CD1 3.82Å; Y438-L458 HydrophobicContact CG-CB 4.03Å; Y438-L458 HydrophobicContact CG-CD1 4.15Å; Y438-L458 HydrophobicContact CG-CD2 3.9Å; Y438-L458 HydrophobicContact CG-CG 4.24Å; F454-L458 HydrophobicContact CB-CB 4.36Å; F454-L458 HydrophobicContact CB-CD2 3.97Å; F454-L458 HydrophobicContact CD1-CD2 3.5Å; F454-L458 VanDerWaalsContact CD1-CD2 3.5Å; F454-L458 HydrophobicContact CD2-CD2 4.25Å; F454-L458 HydrophobicContact CE1-CD2 3.95Å; F454-L458 HydrophobicContact CG-CD2 3.66Å; F454-L458 HydrophobicContact CZ-CD2 4.49Å; S455-L458 PolarHBondContact O-N 3.23Å; S455-L458 VanDerWaalsContact O-N 3.12Å; S455-L458 PolarHBondContact OG-N 3.08Å; L458-N460 VanDerWaalsContact C-N 3.31Å; L458-N460 PolarHBondContact O-N 3.41Å; L458-R461 CarbonylContact O-C 3.57Å; L458-R461 PolarHBondContact O-N 3.06Å; L458-Y462 VanDerWaalsContact O-CB 3.26Å; L458-Y462 WeakPolarHBondContact O-CB 3.43Å; L458-Y462 PolarHBondContact O-N 3.44Å; L458-F468 HydrophobicContact CD1-CE1 4.06Å; L458-F468 HydrophobicContact CD1-CZ 4.33Å
459L87.7Confident87.3Confident21 Ų2148.1 Ų48.111%0.1125%0.248CC..Hα-helixtrans-62.3-37.8-177.5-68174.1000112.7R398 R404 L406 F454 S455 P456R398-L459 PolarHBondContact NH2-O 2.93Å; R404-L459 WeakPolarHBondContact O-CD1 3.22Å; L406-L459 HydrophobicContact CD1-CD2 4.2Å; L406-L459 HydrophobicContact CD2-CD2 4.32Å; L406-L459 HydrophobicContact CG-CD2 3.96Å; F454-L459 HydrophobicContact CB-CD2 4.49Å; F454-L459 HydrophobicContact CB-CG 4.44Å; S455-L459 WeakPolarHBondContact O-CG 3.46Å; S455-L459 PolarHBondContact O-N 3.42Å; S455-L459 VanDerWaalsContact O-N 3.13Å; P456-L459 PolarHBondContact O-N 3.01Å
460N86.3Confident87.6Confident140 Ų14047.6 Ų47.675%0.74924%0.244SC*.Hα-helixtrans-71.6-32.7176.9-70.4-17.9000112.4P456 L458P456-N460 VanDerWaalsContact O-CB 3.31Å; P456-N460 WeakPolarHBondContact O-CB 3.48Å; P456-N460 PolarHBondContact O-N 3.17Å; P456-N460 PolarHBondContact O-ND2 3.47Å; L458-N460 VanDerWaalsContact C-N 3.31Å; L458-N460 PolarHBondContact O-N 3.41Å
461R84.8Confident87.6Confident131 Ų13148.7 Ų48.749%0.49425%0.25SC..Hα-helixtrans-84.2-17.4178.4-156.4175.5-178.6-145.6-8112.7E433 E457 L458E433-R461 IonicContact OE1-CZ 2.7Å; E433-R461 IonicContact OE1-NH1 3.71Å; E433-R461 PolarHBondContact OE1-NH1 3.06Å; E433-R461 IonicContact OE1-NH2 3.01Å; E433-R461 PolarHBondContact OE1-NH2 3.37Å; E433-R461 IonicContact OE2-CZ 3.71Å; E433-R461 IonicContact OE2-NH1 2.91Å; E433-R461 PolarHBondContact OE2-NH1 2.64Å; E433-R461 IonicContact OE2-NH2 2.94Å; E457-R461 WeakPolarHBondContact O-CB 3.14Å; E457-R461 PolarHBondContact O-N 2.89Å; L458-R461 CarbonylContact O-C 3.57Å; L458-R461 PolarHBondContact O-N 3.06Å
462Y86Confident87.4Confident9 Ų946.3 Ų46.34%0.03524%0.241CC..  trans-71133.1-174.4172.7-86.1000112.6L396 R398 L406 L458 N464 F468L396-Y462 HydrophobicContact CB-CE2 3.99Å; L396-Y462 PolarHBondContact O-OH 3.37Å; R398-Y462 HydrophobicContact CG-CD1 4.18Å; R398-Y462 HydrophobicContact CG-CE1 3.74Å; L406-Y462 HydrophobicContact CD1-CD2 3.91Å; L406-Y462 HydrophobicContact CD1-CE2 4.28Å; L406-Y462 HydrophobicContact CD1-CG 4.26Å; L406-Y462 HydrophobicContact CD2-CD1 4.1Å; L406-Y462 HydrophobicContact CD2-CD2 4.26Å; L406-Y462 HydrophobicContact CD2-CE1 4.04Å; L406-Y462 HydrophobicContact CD2-CE2 4.19Å; L406-Y462 HydrophobicContact CD2-CG 4.21Å; L458-Y462 VanDerWaalsContact O-CB 3.26Å; L458-Y462 WeakPolarHBondContact O-CB 3.43Å; L458-Y462 PolarHBondContact O-N 3.44Å; Y462-N464 PolarHBondContact OH-OD1 3.27Å; Y462-F468 HydrophobicContact CD2-CE2 4.08Å; Y462-F468 HydrophobicContact CD2-CZ 4.11Å; Y462-F468 HydrophobicContact CE2-CE2 4.1Å
463M82.7Confident86.9Confident136 Ų13648.2 Ų48.267%0.6725%0.252SS*.  trans-130.7151.4169.2-65.4-174.5-72.400109.6G465 I466M463-G465 PolarHBondContact O-N 3.1Å; M463-I466 HydrophobicContact CB-CD1 4.2Å; M463-I466 HydrophobicContact CB-CG1 4.42Å; M463-I466 VanDerWaalsContact N-CD1 3.32Å; M463-I466 WeakPolarHBondContact O-CG1 3.39Å; M463-I466 PolarHBondContact O-N 3.26Å
464N78.5Confident86.2Confident133 Ų13349.1 Ų49.171%0.71126%0.256SS*.THydrogen-bonded Turntrans-58.8133.3176.4-77-18.9000110.4Y462Y462-N464 PolarHBondContact OH-OD1 3.27Å
465G78.9Confident85.4Confident45 Ų4552.7 Ų52.746%0.46428%0.275SS..THydrogen-bonded Turntrans93.6-2.9177.700000115.6M463 K467M463-G465 PolarHBondContact O-N 3.1Å; G465-K467 PolarHBondContact O-N 3.42Å
466I87.8Confident84.8Confident47 Ų4758.3 Ų58.324%0.24130%0.295CS..  trans-59.8134.2169.5-64.5174.5000109.4M463 F468M463-I466 HydrophobicContact CB-CD1 4.2Å; M463-I466 HydrophobicContact CB-CG1 4.42Å; M463-I466 VanDerWaalsContact N-CD1 3.32Å; M463-I466 WeakPolarHBondContact O-CG1 3.39Å; M463-I466 PolarHBondContact O-N 3.26Å; I466-F468 HydrophobicContact CB-CD2 4.46Å; I466-F468 HydrophobicContact CB-CE2 3.72Å; I466-F468 HydrophobicContact CB-CZ 4.06Å; I466-F468 HydrophobicContact CG2-CD2 4.04Å; I466-F468 HydrophobicContact CG2-CE1 4.06Å; I466-F468 HydrophobicContact CG2-CE2 3.48Å; I466-F468 VanDerWaalsContact CG2-CE2 3.48Å; I466-F468 HydrophobicContact CG2-CZ 3.49Å; I466-F468 VanDerWaalsContact CG2-CZ 3.49Å; I466-F468 WeakPolarHBondContact O-CD2 2.88Å
467K90.6Very high84.4Confident81 Ų8157.7 Ų57.735%0.35229%0.288SS..EExtended strand (participates in β ladder)trans-91.4130.4177.7-60.8-175.3175.2-168.50109.9F393 Q431 G465F393-K467 HydrophobicContact CB-CB 3.92Å; F393-K467 HydrophobicContact CB-CD 4.43Å; F393-K467 HydrophobicContact CB-CG 4.38Å; F393-K467 HydrophobicContact CD1-CD 3.75Å; F393-K467 HydrophobicContact CD1-CG 4.41Å; F393-K467 HydrophobicContact CD2-CB 3.94Å; F393-K467 HydrophobicContact CD2-CD 3.74Å; F393-K467 HydrophobicContact CD2-CG 3.52Å; F393-K467 HydrophobicContact CE1-CD 3.9Å; F393-K467 VanDerWaalsContact CE1-NZ 3.28Å; F393-K467 HydrophobicContact CE2-CD 3.88Å; F393-K467 HydrophobicContact CE2-CG 3.87Å; F393-K467 HydrophobicContact CG-CB 3.94Å; F393-K467 HydrophobicContact CG-CD 3.68Å; F393-K467 HydrophobicContact CG-CG 3.83Å; F393-K467 HydrophobicContact CZ-CD 3.97Å; F393-K467 VanDerWaalsContact CZ-CE 3.42Å; F393-K467 HydrophobicContact CZ-CG 4.46Å; Q431-K467 HydrophobicContact CB-CB 4.06Å; Q431-K467 PolarHBondContact N-O 2.91Å; Q431-K467 VanDerWaalsContact OE1-CD 3.23Å; G465-K467 PolarHBondContact O-N 3.42Å
468F90.3Very high84.2Confident1 Ų153.9 Ų53.90%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-122149.9-177.9-69.3-82.9000111.9A394 L396 V428 Y429 P430 L458 Y462 I466A394-F468 HydrophobicContact CB-CB 4.33Å; A394-F468 PolarHBondContact N-O 3.42Å; A394-F468 PolarHBondContact O-N 2.89Å; L396-F468 HydrophobicContact CB-CD2 4.4Å; L396-F468 HydrophobicContact CB-CE2 4.35Å; L396-F468 HydrophobicContact CD1-CD2 4Å; L396-F468 HydrophobicContact CD1-CE2 4Å; L396-F468 HydrophobicContact CD1-CG 4.35Å; L396-F468 HydrophobicContact CD1-CZ 4.37Å; L396-F468 HydrophobicContact CG-CD2 4Å; L396-F468 HydrophobicContact CG-CE2 4.27Å; V428-F468 HydrophobicContact CG1-CB 3.76Å; V428-F468 HydrophobicContact CG1-CD1 3.48Å; V428-F468 VanDerWaalsContact CG1-CD1 3.48Å; V428-F468 HydrophobicContact CG1-CE1 4.26Å; V428-F468 HydrophobicContact CG1-CG 3.78Å; Y429-F468 WeakPolarHBondContact O-CA 3.43Å; P430-F468 HydrophobicContact CB-CE1 4.46Å; P430-F468 HydrophobicContact CG-CD1 4.36Å; P430-F468 HydrophobicContact CG-CE1 3.96Å; L458-F468 HydrophobicContact CD1-CE1 4.06Å; L458-F468 HydrophobicContact CD1-CZ 4.33Å; Y462-F468 HydrophobicContact CD2-CE2 4.08Å; Y462-F468 HydrophobicContact CD2-CZ 4.11Å; Y462-F468 HydrophobicContact CE2-CE2 4.1Å; I466-F468 HydrophobicContact CB-CD2 4.46Å; I466-F468 HydrophobicContact CB-CE2 3.72Å; I466-F468 HydrophobicContact CB-CZ 4.06Å; I466-F468 HydrophobicContact CG2-CD2 4.04Å; I466-F468 HydrophobicContact CG2-CE1 4.06Å; I466-F468 HydrophobicContact CG2-CE2 3.48Å; I466-F468 VanDerWaalsContact CG2-CE2 3.48Å; I466-F468 HydrophobicContact CG2-CZ 3.49Å; I466-F468 VanDerWaalsContact CG2-CZ 3.49Å; I466-F468 WeakPolarHBondContact O-CD2 2.88Å
469N89.9Confident84Confident19 Ų1953.9 Ų53.910%0.10227%0.272CS..EExtended strand (participates in β ladder)trans-95.3143.7159.6-67.612000108.5I386 V428 Y429I386-N469 CarbonylContact O-C 3.57Å; I386-N469 WeakPolarHBondContact O-CA 2.99Å; I386-N469 WeakPolarHBondContact O-CB 3.43Å; V428-N469 WeakPolarHBondContact CA-O 3.43Å; Y429-N469 HydrophobicContact CD1-CB 4.14Å; Y429-N469 HydrophobicContact CD2-CB 3.89Å; Y429-N469 HydrophobicContact CE1-CB 3.68Å; Y429-N469 HydrophobicContact CE2-CB 3.42Å; Y429-N469 VanDerWaalsContact CE2-CB 3.42Å; Y429-N469 VanDerWaalsContact CE2-ND2 3.26Å; Y429-N469 WeakPolarHBondContact CE2-ND2 3.4Å; Y429-N469 HydrophobicContact CG-CB 4.23Å; Y429-N469 PolarHBondContact N-O 2.99Å; Y429-N469 PolarHBondContact O-N 3.23Å; Y429-N469 PolarHBondContact OH-ND2 3.39Å
470V89.9Confident83.8Confident0 Ų056.7 Ų56.70%028%0.281CS..EExtended strand (participates in β ladder)trans-127126.8-178.2-176.50000109.2N385 I386 A394 L408 L426 L427 V428 F472N385-V470 CarbonylContact C-O 2.84Å; N385-V470 VanDerWaalsContact CA-O 3.29Å; N385-V470 WeakPolarHBondContact CA-O 3.48Å; I386-V470 HydrophobicContact CB-CB 4.09Å; I386-V470 HydrophobicContact CB-CG2 4.43Å; I386-V470 HydrophobicContact CD1-CB 4.33Å; I386-V470 HydrophobicContact CD1-CG2 4.33Å; I386-V470 HydrophobicContact CG1-CB 4.43Å; I386-V470 PolarHBondContact N-O 3.08Å; I386-V470 PolarHBondContact O-N 3.13Å; A394-V470 HydrophobicContact CB-CG2 3.56Å; L408-V470 HydrophobicContact CD1-CG2 4.12Å; L408-V470 HydrophobicContact CD2-CG1 3.97Å; L408-V470 HydrophobicContact CD2-CG2 4.19Å; L426-V470 HydrophobicContact CB-CG1 4.48Å; L426-V470 HydrophobicContact CD1-CG1 4.45Å; L427-V470 CarbonylContact O-C 3.53Å; L427-V470 WeakPolarHBondContact O-CA 3.46Å; V428-V470 HydrophobicContact CG1-CG2 4.5Å; V428-V470 HydrophobicContact CG2-CG1 4.28Å; V428-V470 HydrophobicContact CG2-CG2 4.21Å; V470-F472 HydrophobicContact CB-CE2 4.39Å; V470-F472 HydrophobicContact CG1-CD2 4.17Å; V470-F472 HydrophobicContact CG1-CE2 3.76Å; V470-F472 HydrophobicContact CG1-CZ 4Å
471E88.5Confident83.8Confident24 Ų2450.5 Ų50.511%0.11225%0.248CC..EExtended strand (participates in β ladder)trans-111118170.8-69.5169.9-165.500108.9N385 L427 Y429 K437N385-E471 WeakPolarHBondContact OD1-CA 3.38Å; L427-E471 HydrophobicContact CB-CB 4.15Å; L427-E471 PolarHBondContact N-O 3.44Å; L427-E471 PolarHBondContact O-N 3.48Å; Y429-E471 HydrophobicContact CE1-CG 4.15Å; Y429-E471 WeakPolarHBondContact CE1-OE1 3.47Å; Y429-E471 PolarHBondContact OH-OE1 3.33Å; K437-E471 WeakPolarHBondContact CE-OE1 3.4Å; K437-E471 IonicContact NZ-OE1 2.8Å; K437-E471 PolarHBondContact NZ-OE1 3.28Å; K437-E471 IonicContact NZ-OE2 2.75Å; K437-E471 PolarHBondContact NZ-OE2 2.95Å
472F85.5Confident84.1Confident7 Ų744.9 Ų44.93%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-79.1137.9176.1-67.4-94.5000110.2I381 Y384 N385 L408 V410 P418 V420 L426 V470I381-F472 HydrophobicContact CD1-CB 4.21Å; I381-F472 HydrophobicContact CG1-CB 3.71Å; Y384-F472 VanDerWaalsContact C-CD2 3.46Å; Y384-F472 VanDerWaalsContact O-CD2 3.23Å; Y384-F472 WeakPolarHBondContact O-CD2 3.46Å; Y384-F472 WeakPolarHBondContact O-CE2 3.37Å; N385-F472 PolarHBondContact OD1-N 3.37Å; L408-F472 HydrophobicContact CD2-CZ 4.22Å; V410-F472 HydrophobicContact CG1-CE1 4.34Å; V410-F472 HydrophobicContact CG1-CZ 4.03Å; V410-F472 HydrophobicContact CG2-CE1 4.35Å; V410-F472 HydrophobicContact CG2-CZ 4.01Å; P418-F472 HydrophobicContact CB-CD1 3.88Å; P418-F472 HydrophobicContact CB-CE1 4.3Å; P418-F472 HydrophobicContact CB-CG 4.25Å; P418-F472 HydrophobicContact CG-CD1 3.22Å; P418-F472 HydrophobicContact CG-CD2 4.35Å; P418-F472 HydrophobicContact CG-CE1 3.17Å; P418-F472 HydrophobicContact CG-CE2 4.31Å; P418-F472 HydrophobicContact CG-CG 3.86Å; P418-F472 HydrophobicContact CG-CZ 3.75Å; V420-F472 HydrophobicContact CG2-CD1 3.9Å; V420-F472 HydrophobicContact CG2-CE1 4.3Å; L426-F472 HydrophobicContact CD1-CD1 4.07Å; L426-F472 HydrophobicContact CD1-CE1 3.79Å; L426-F472 HydrophobicContact CD2-CB 4.24Å; L426-F472 HydrophobicContact CD2-CD1 3.39Å; L426-F472 HydrophobicContact CD2-CE1 4Å; L426-F472 HydrophobicContact CD2-CG 4.08Å; L426-F472 HydrophobicContact CG-CD1 4.36Å; V470-F472 HydrophobicContact CB-CE2 4.39Å; V470-F472 HydrophobicContact CG1-CD2 4.17Å; V470-F472 HydrophobicContact CG1-CE2 3.76Å; V470-F472 HydrophobicContact CG1-CZ 4Å
473T80.7Confident84.2Confident40 Ų4045.9 Ų45.925%0.24523%0.232CC..  trans-127.4155.2177.183.90000109.4I381 S425 L427I381-T473 VanDerWaalsContact CD1-O 3.27Å; I381-T473 WeakPolarHBondContact CD1-O 3.37Å; S425-T473 PolarHBondContact O-OG1 2.88Å; L427-T473 HydrophobicContact CD1-CG2 4.34Å; L427-T473 HydrophobicContact CG-CG2 4.19Å
474F77.1Confident84.4Confident21 Ų2140 Ų409%0.09220%0.203CC..  trans-114.2152.1177.575.2-80.7000110.3E374 M377 E378 I381 R476E374-F474 HydrophobicContact CG-CE2 4.18Å; E374-F474 HydrophobicContact CG-CZ 3.68Å; M377-F474 HydrophobicContact CB-CD2 4.26Å; M377-F474 HydrophobicContact CB-CE1 4.39Å; M377-F474 HydrophobicContact CB-CE2 4.1Å; M377-F474 HydrophobicContact CB-CG 4.46Å; M377-F474 HydrophobicContact CB-CZ 4.17Å; M377-F474 HydrophobicContact CE-CD2 3.71Å; M377-F474 HydrophobicContact CE-CE2 3.84Å; M377-F474 HydrophobicContact SD-CE2 4.24Å; E378-F474 HydrophobicContact CB-CE1 3.71Å; E378-F474 HydrophobicContact CB-CZ 4.47Å; E378-F474 HydrophobicContact CG-CE1 4.24Å; I381-F474 HydrophobicContact CD1-CB 3.88Å; I381-F474 HydrophobicContact CG2-CD1 4.21Å; F474-R476 HydrophobicContact CD2-CG 4.44Å; F474-R476 HydrophobicContact CE2-CG 3.82Å; F474-R476 HydrophobicContact CZ-CG 3.89Å; F474-R476 PolarHBondContact O-N 2.85Å
475N75.1Confident85Confident74 Ų7433.8 Ų33.840%0.39617%0.169SC..  trans-73.4119.5176.6-172.7-6.1000111.5D424 L477D424-N475 WeakPolarHBondContact OD1-CB 3.29Å; N475-L477 WeakPolarHBondContact OD1-CB 3.35Å; N475-L477 PolarHBondContact OD1-N 3.43Å
476R78.8Confident85.5Confident124 Ų12431.6 Ų31.647%0.46815%0.147SC..  trans-85.3-7.5-179.8-59.6177.264.4-160.31.2113.7E374 F474 T478 V479 R480E374-R476 IonicContact OE1-CZ 3.25Å; E374-R476 IonicContact OE1-NE 3.68Å; E374-R476 PolarHBondContact OE1-NE 3.45Å; E374-R476 IonicContact OE1-NH2 2.62Å; E374-R476 PolarHBondContact OE1-NH2 2.79Å; E374-R476 IonicContact OE2-NH2 2.64Å; E374-R476 PolarHBondContact OE2-NH2 3.18Å; F474-R476 HydrophobicContact CD2-CG 4.44Å; F474-R476 HydrophobicContact CE2-CG 3.82Å; F474-R476 HydrophobicContact CZ-CG 3.89Å; F474-R476 PolarHBondContact O-N 2.85Å; R476-T478 VanDerWaalsContact C-N 3.28Å; R476-T478 PolarHBondContact O-N 2.78Å; R476-V479 PolarHBondContact O-N 3.27Å; R476-R480 HydrophobicContact CB-CG 4.47Å; R476-R480 WeakPolarHBondContact O-CB 3.48Å; R476-R480 VanDerWaalsContact O-CG 3.22Å; R476-R480 WeakPolarHBondContact O-CG 3.43Å; R476-R480 PolarHBondContact O-N 3.24Å
477L79.1Confident85.5Confident56 Ų5631.6 Ų31.629%0.29315%0.146SC..Hα-helixtrans-55.1-45.6-173.8176.860.9000111.7V311 N475 V479 R480 L481V311-L477 HydrophobicContact CG2-CD1 4Å; N475-L477 WeakPolarHBondContact OD1-CB 3.35Å; N475-L477 PolarHBondContact OD1-N 3.43Å; L477-V479 PolarHBondContact O-N 3Å; L477-R480 WeakPolarHBondContact O-CB 3.31Å; L477-R480 PolarHBondContact O-N 2.78Å; L477-L481 HydrophobicContact CD1-CD1 4.33Å; L477-L481 HydrophobicContact CD1-CD2 4.44Å; L477-L481 HydrophobicContact CD1-CG 4.18Å; L477-L481 HydrophobicContact CG-CD1 4.2Å; L477-L481 HydrophobicContact CG-CG 4.45Å; L477-L481 VanDerWaalsContact O-CG 3.3Å; L477-L481 WeakPolarHBondContact O-CG 3.1Å; L477-L481 PolarHBondContact O-N 3.07Å
478T82.6Confident85.4Confident19 Ų1928.4 Ų28.412%0.11713%0.132CC..Hα-helixtrans-62.2-48.3-174.162.10000111.5R476 L481 Q482 M1021R476-T478 VanDerWaalsContact C-N 3.28Å; R476-T478 PolarHBondContact O-N 2.78Å; T478-L481 PolarHBondContact O-N 2.64Å; T478-Q482 WeakPolarHBondContact O-CG 3.24Å; T478-Q482 PolarHBondContact O-N 3.02Å; T478-M1021 HydrophobicContact CG2-CE 3.64Å; T478-M1021 HydrophobicContact CG2-CG 4.49Å; T478-M1021 HydrophobicContact CG2-SD 3.17Å; T478-M1021 WeakPolarHBondContact CG2-SD 3.17Å
479V82.8Confident85.3Confident4 Ų428.4 Ų28.42%0.02413%0.132CC..Hα-helixtrans-67.9-36.5176.2-1760000111.2L370 E374 M377 R476 L477 L481 Q482 H483L370-V479 HydrophobicContact CB-CG1 4.38Å; L370-V479 HydrophobicContact CD2-CG1 4.32Å; E374-V479 HydrophobicContact CB-CG1 4.18Å; M377-V479 HydrophobicContact CE-CG2 4.06Å; M377-V479 HydrophobicContact SD-CG2 3.89Å; R476-V479 PolarHBondContact O-N 3.27Å; L477-V479 PolarHBondContact O-N 3Å; V479-L481 PolarHBondContact O-N 2.86Å; V479-Q482 PolarHBondContact O-N 3.46Å; V479-H483 PolarHBondContact O-CD2 3.22Å; V479-H483 PolarHBondContact O-N 3.47Å
480R83.8Confident85.1Confident79 Ų7934 Ų3430%0.29815%0.152SC..Hα-helixtrans-64.2-37175.5-74.6178.867.8-169.4-5.8113.1V311 R476 L477 Q482 H483 R484V311-R480 PolarHBondContact O-NH2 3.06Å; R476-R480 HydrophobicContact CB-CG 4.47Å; R476-R480 WeakPolarHBondContact O-CB 3.48Å; R476-R480 VanDerWaalsContact O-CG 3.22Å; R476-R480 WeakPolarHBondContact O-CG 3.43Å; R476-R480 PolarHBondContact O-N 3.24Å; L477-R480 WeakPolarHBondContact O-CB 3.31Å; L477-R480 PolarHBondContact O-N 2.78Å; R480-Q482 VanDerWaalsContact C-N 3.35Å; R480-H483 PolarHBondContact O-N 2.78Å; R480-R484 WeakPolarHBondContact O-CB 3.48Å; R480-R484 PolarHBondContact O-N 3.15Å
481L86.2Confident84.9Confident11 Ų1138.3 Ų38.36%0.05818%0.179CC..Hα-helixtrans-65.1-41.3175.5-68.4172.7000111V311 L477 T478 V479 R484 A485 L648 V681V311-L481 HydrophobicContact CG2-CD2 4.36Å; L477-L481 HydrophobicContact CD1-CD1 4.33Å; L477-L481 HydrophobicContact CD1-CD2 4.44Å; L477-L481 HydrophobicContact CD1-CG 4.18Å; L477-L481 HydrophobicContact CG-CD1 4.2Å; L477-L481 HydrophobicContact CG-CG 4.45Å; L477-L481 VanDerWaalsContact O-CG 3.3Å; L477-L481 WeakPolarHBondContact O-CG 3.1Å; L477-L481 PolarHBondContact O-N 3.07Å; T478-L481 PolarHBondContact O-N 2.64Å; V479-L481 PolarHBondContact O-N 2.86Å; L481-R484 VanDerWaalsContact CD2-NH2 3.27Å; L481-R484 WeakPolarHBondContact O-CB 3.38Å; L481-R484 PolarHBondContact O-N 3.34Å; L481-A485 WeakPolarHBondContact O-CB 3.47Å; L481-A485 PolarHBondContact O-N 3.21Å; L481-L648 VanDerWaalsContact CD1-O 3.32Å; L481-L648 WeakPolarHBondContact CD1-O 3.49Å; L481-V681 HydrophobicContact CB-CG1 4.45Å; L481-V681 HydrophobicContact CB-CG2 4.33Å
482Q91.4Very high84.8Confident13 Ų1337.6 Ų37.66%0.06118%0.175CC..Hα-helixtrans-64.8-44.8175-68.4-176.867.600112.1L370 T478 V479 R480 R484 A485 A486 L648 T677 E678 V681L370-Q482 HydrophobicContact CD1-CB 3.86Å; L370-Q482 HydrophobicContact CD2-CB 3.72Å; L370-Q482 HydrophobicContact CD2-CG 4.44Å; L370-Q482 HydrophobicContact CG-CB 4.49Å; T478-Q482 WeakPolarHBondContact O-CG 3.24Å; T478-Q482 PolarHBondContact O-N 3.02Å; V479-Q482 PolarHBondContact O-N 3.46Å; R480-Q482 VanDerWaalsContact C-N 3.35Å; Q482-R484 VanDerWaalsContact C-N 3.3Å; Q482-R484 PolarHBondContact O-N 3.2Å; Q482-A485 PolarHBondContact O-N 3.44Å; Q482-A486 WeakPolarHBondContact O-CB 3.44Å; Q482-A486 PolarHBondContact O-N 3.11Å; Q482-L648 HydrophobicContact CG-CD2 3.99Å; Q482-T677 PolarHBondContact OE1-OG1 2.94Å; Q482-E678 HydrophobicContact CG-CG 4.23Å; Q482-V681 HydrophobicContact CG-CG2 4.22Å
483H88Confident84.9Confident30 Ų3044.1 Ų44.114%0.13920%0.204CC..Hα-helixtrans-57.2-44.5174.1-84.2-69.8000112.1Q367 L370 V479 R480 A486 E487Q367-H483 PolarHBondContact NE2-O 3.03Å; Q367-H483 PolarHBondContact O-CE1 2.75Å; Q367-H483 VanDerWaalsContact O-CE1 3.22Å; L370-H483 VanDerWaalsContact CB-CE1 3.41Å; L370-H483 WeakPolarHBondContact CB-CE1 3.42Å; V479-H483 PolarHBondContact O-CD2 3.22Å; V479-H483 PolarHBondContact O-N 3.47Å; R480-H483 PolarHBondContact O-N 2.78Å; H483-A486 PolarHBondContact O-N 3.21Å; H483-E487 VanDerWaalsContact O-CB 3.31Å; H483-E487 WeakPolarHBondContact O-CB 3.27Å; H483-E487 PolarHBondContact O-N 2.89Å
484R87.1Confident85.4Confident12 Ų1242.2 Ų42.25%0.04519%0.192CC..Hα-helixtrans-59.8-48.2176.2179.5-177.969.3-176.83.7110.8T314 R480 L481 Q482 A486 E487 F488 G651 S655T314-R484 HydrophobicContact CG2-CB 3.86Å; T314-R484 HydrophobicContact CG2-CG 3.89Å; R480-R484 WeakPolarHBondContact O-CB 3.48Å; R480-R484 PolarHBondContact O-N 3.15Å; L481-R484 VanDerWaalsContact CD2-NH2 3.27Å; L481-R484 WeakPolarHBondContact O-CB 3.38Å; L481-R484 PolarHBondContact O-N 3.34Å; Q482-R484 VanDerWaalsContact C-N 3.3Å; Q482-R484 PolarHBondContact O-N 3.2Å; R484-A486 PolarHBondContact O-N 2.91Å; R484-E487 WeakPolarHBondContact O-CB 3.48Å; R484-E487 PolarHBondContact O-N 2.89Å; R484-F488 HydrophobicContact CG-CD2 3.87Å; R484-F488 HydrophobicContact CG-CE2 4.03Å; R484-F488 VanDerWaalsContact O-CD2 3.24Å; R484-F488 WeakPolarHBondContact O-CD2 3.3Å; R484-F488 PolarHBondContact O-N 2.92Å; R484-F488 VanDerWaalsContact O-N 3.13Å; R484-G651 PolarHBondContact NH2-O 2.49Å; R484-S655 PolarHBondContact NH1-OG 3.25Å
485A90.6Very high86.1Confident2 Ų243.4 Ų43.42%0.01720%0.203CC..Hα-helixtrans-62.8-42.3-178.800000112.1L481 Q482 A489 L680 V681 A684L481-A485 WeakPolarHBondContact O-CB 3.47Å; L481-A485 PolarHBondContact O-N 3.21Å; Q482-A485 PolarHBondContact O-N 3.44Å; A485-A489 PolarHBondContact O-N 3.41Å; A485-A489 VanDerWaalsContact O-N 3.13Å; A485-L680 HydrophobicContact CB-CB 3.73Å; A485-V681 HydrophobicContact CB-CG2 4Å; A485-A684 HydrophobicContact CB-CB 4.07Å
486A90.9Very high86.8Confident0 Ų041.6 Ų41.60%020%0.196CC..Hα-helixtrans-66.1-38.8175.300000113T363 F366 Q367 Q482 H483 R484T363-A486 WeakPolarHBondContact CG2-O 3.34Å; T363-A486 PolarHBondContact OG1-O 3.32Å; F366-A486 HydrophobicContact CB-CB 4.35Å; Q367-A486 HydrophobicContact CG-CB 4.32Å; Q482-A486 WeakPolarHBondContact O-CB 3.44Å; Q482-A486 PolarHBondContact O-N 3.11Å; H483-A486 PolarHBondContact O-N 3.21Å; R484-A486 PolarHBondContact O-N 2.91Å
487E86.8Confident87.5Confident46 Ų4635.8 Ų35.822%0.21517%0.174CC..Hα-helixtrans-59.5-46.3177.3-167178.5162.900111.7T314 H483 R484T314-E487 WeakPolarHBondContact CG2-OE2 3.48Å; H483-E487 VanDerWaalsContact O-CB 3.31Å; H483-E487 WeakPolarHBondContact O-CB 3.27Å; H483-E487 PolarHBondContact O-N 2.89Å; R484-E487 WeakPolarHBondContact O-CB 3.48Å; R484-E487 PolarHBondContact O-N 2.89Å
488F87.8Confident88.2Confident15 Ų1533.1 Ų33.17%0.06616%0.16CC..Hα-helixtrans-92.5-3.6-173.1-67.3-67.2000114.6T314 R484 R490 T491 H492 R687T314-F488 HydrophobicContact CG2-CE2 4.04Å; R484-F488 HydrophobicContact CG-CD2 3.87Å; R484-F488 HydrophobicContact CG-CE2 4.03Å; R484-F488 VanDerWaalsContact O-CD2 3.24Å; R484-F488 WeakPolarHBondContact O-CD2 3.3Å; R484-F488 PolarHBondContact O-N 2.92Å; R484-F488 VanDerWaalsContact O-N 3.13Å; F488-R490 PolarHBondContact O-N 2.88Å; F488-T491 PolarHBondContact O-N 2.55Å; F488-T491 VanDerWaalsContact O-N 3.16Å; F488-H492 VanDerWaalsContact CB-CE1 3.48Å; F488-H492 WeakPolarHBondContact CB-CE1 3.3Å; F488-H492 WeakPolarHBondContact CB-ND1 3.43Å; F488-H492 WeakPolarHBondContact O-CB 3.08Å; F488-H492 PolarHBondContact O-N 3.49Å; F488-H492 PolarHBondContact O-ND1 2.98Å; F488-R687 HydrophobicContact CE1-CB 3.81Å; F488-R687 HydrophobicContact CE1-CG 4.07Å; F488-R687 HydrophobicContact CE2-CB 4.33Å; F488-R687 HydrophobicContact CZ-CB 3.49Å; F488-R687 VanDerWaalsContact CZ-CB 3.49Å; F488-R687 HydrophobicContact CZ-CG 4.05Å
489A89.3Confident88.8Confident0 Ų034 Ų340%016%0.163CC..THydrogen-bonded Turntrans-51.5-43.7178.200000112.5W359 Y362 A485 K493 L494 L498 L680W359-A489 WeakPolarHBondContact CH2-O 3.24Å; Y362-A489 HydrophobicContact CD1-CB 4.23Å; Y362-A489 HydrophobicContact CE1-CB 4.06Å; A485-A489 PolarHBondContact O-N 3.41Å; A485-A489 VanDerWaalsContact O-N 3.13Å; A489-K493 PolarHBondContact O-N 2.83Å; A489-L494 HydrophobicContact CB-CD1 4.24Å; A489-L494 WeakPolarHBondContact O-CB 3.24Å; A489-L494 PolarHBondContact O-N 3.09Å; A489-L494 VanDerWaalsContact O-N 3.08Å; A489-L498 HydrophobicContact CB-CD1 4.3Å; A489-L680 HydrophobicContact CB-CD2 3.69Å
490R86.2Confident89.2Confident136 Ų13634.1 Ų34.151%0.51316%0.163SC..THydrogen-bonded Turntrans-71.3-46.5178.5-170.2173.2-179.4162.21.7112.6W359 F488 H492 K493W359-R490 HydrophobicContact CH2-CB 4.39Å; W359-R490 HydrophobicContact CZ2-CB 4.17Å; W359-R490 HydrophobicContact CZ2-CG 4.03Å; F488-R490 PolarHBondContact O-N 2.88Å; R490-H492 VanDerWaalsContact C-N 3.25Å; R490-H492 PolarHBondContact O-N 3.03Å; R490-K493 PolarHBondContact O-N 2.84Å
491T84.6Confident89.2Confident92 Ų9234.4 Ų34.456%0.56418%0.183SC*.THydrogen-bonded Turntrans-60.5-36.7179.2-55.20000111.8F488 K493F488-T491 PolarHBondContact O-N 2.55Å; F488-T491 VanDerWaalsContact O-N 3.16Å; T491-K493 VanDerWaalsContact C-N 3.28Å; T491-K493 PolarHBondContact O-N 2.98Å
492H86.5Confident88.5Confident9 Ų937 Ų374%0.04221%0.206CC..THydrogen-bonded Turntrans-89.114.5177.7-60144.7000113.8F488 R490 L494 G685 N686 Q689 G691F488-H492 VanDerWaalsContact CB-CE1 3.48Å; F488-H492 WeakPolarHBondContact CB-CE1 3.3Å; F488-H492 WeakPolarHBondContact CB-ND1 3.43Å; F488-H492 WeakPolarHBondContact O-CB 3.08Å; F488-H492 PolarHBondContact O-N 3.49Å; F488-H492 PolarHBondContact O-ND1 2.98Å; R490-H492 VanDerWaalsContact C-N 3.25Å; R490-H492 PolarHBondContact O-N 3.03Å; H492-L494 VanDerWaalsContact C-N 3.29Å; H492-L494 HydrophobicContact CB-CG 4.41Å; H492-L494 PolarHBondContact O-N 2.88Å; H492-G685 WeakPolarHBondContact CE1-CA 3.49Å; H492-G685 PolarHBondContact CE1-N 3.2Å; H492-G685 PolarHBondContact ND1-N 2.98Å; H492-N686 PolarHBondContact CE1-O 2.69Å; H492-N686 PolarHBondContact NE2-O 2.98Å; H492-Q689 PolarHBondContact NE2-O 3.47Å; H492-Q689 VanDerWaalsContact NE2-O 3.13Å; H492-G691 WeakPolarHBondContact CD2-CA 3.49Å; H492-G691 PolarHBondContact NE2-O 2.77Å
493K86.9Confident87.3Confident143 Ų14338.5 Ų38.562%0.62222%0.217SC*.THydrogen-bonded Turntrans52.840.1172.8-56.8-179.2-178.3176.60114A489 R490 T491 S495A489-K493 PolarHBondContact O-N 2.83Å; R490-K493 PolarHBondContact O-N 2.84Å; T491-K493 VanDerWaalsContact C-N 3.28Å; T491-K493 PolarHBondContact O-N 2.98Å; K493-S495 PolarHBondContact O-N 3Å; K493-S495 VanDerWaalsContact O-N 3.08Å
494L91.3Very high85.7Confident0 Ų043.6 Ų43.60%025%0.253CS..THydrogen-bonded Turntrans-73.88.7-179.9-60.5-174.9000114.3W359 A489 H492 S496 V497 L498 L680 L683 A684 T696W359-L494 HydrophobicContact CH2-CB 4.5Å; A489-L494 HydrophobicContact CB-CD1 4.24Å; A489-L494 WeakPolarHBondContact O-CB 3.24Å; A489-L494 PolarHBondContact O-N 3.09Å; A489-L494 VanDerWaalsContact O-N 3.08Å; H492-L494 VanDerWaalsContact C-N 3.29Å; H492-L494 HydrophobicContact CB-CG 4.41Å; H492-L494 PolarHBondContact O-N 2.88Å; L494-S496 PolarHBondContact O-N 3.04Å; L494-V497 PolarHBondContact O-N 3.25Å; L494-V497 VanDerWaalsContact O-N 3.12Å; L494-L498 HydrophobicContact CB-CD1 3.67Å; L494-L498 HydrophobicContact CB-CG 4.14Å; L494-L498 HydrophobicContact CD1-CD1 4.34Å; L494-L498 WeakPolarHBondContact O-CG 3.49Å; L494-L498 PolarHBondContact O-N 2.98Å; L494-L680 HydrophobicContact CD1-CD2 4.37Å; L494-L683 HydrophobicContact CD1-CB 4.14Å; L494-A684 HydrophobicContact CD1-CB 4.18Å; L494-T696 HydrophobicContact CD2-CG2 3.5Å
495S92Very high84.2Confident47 Ų4749.9 Ų49.933%0.32928%0.284SS..Hα-helixtrans-59-42.6-175.857.60000112.9K493 V497 L498 F499K493-S495 PolarHBondContact O-N 3Å; K493-S495 VanDerWaalsContact O-N 3.08Å; S495-V497 PolarHBondContact O-N 2.94Å; S495-L498 PolarHBondContact O-N 2.78Å; S495-F499 CarbonylContact O-C 3.45Å; S495-F499 VanDerWaalsContact O-C 3.26Å; S495-F499 VanDerWaalsContact O-CA 3.3Å; S495-F499 WeakPolarHBondContact O-CA 3.5Å; S495-F499 PolarHBondContact O-N 3.01Å
496S90.6Very high82.5Confident35 Ų3555.7 Ų55.725%0.24532%0.322CS..Hα-helixtrans-65.6-21.9-179.956.70000113.4L494L494-S496 PolarHBondContact O-N 3.04Å
497V92.8Very high81Confident2 Ų262.2 Ų62.21%0.01235%0.346CS..Hα-helixtrans-91.7-45.3178.6-1770000110.8L494 S495 P544 L694 T696 L701L494-V497 PolarHBondContact O-N 3.25Å; L494-V497 VanDerWaalsContact O-N 3.12Å; S495-V497 PolarHBondContact O-N 2.94Å; V497-P544 HydrophobicContact CG1-CG 3.87Å; V497-P544 WeakPolarHBondContact O-CD 3.1Å; V497-P544 VanDerWaalsContact O-CG 3.29Å; V497-P544 WeakPolarHBondContact O-CG 3.43Å; V497-L694 HydrophobicContact CG1-CD2 4.49Å; V497-L694 HydrophobicContact CG2-CD2 4.2Å; V497-T696 HydrophobicContact CG2-CG2 4.03Å; V497-L701 HydrophobicContact CG1-CB 4.36Å; V497-L701 HydrophobicContact CG1-CD2 3.62Å
498L94.1Very high79.6Confident0 Ų068.9 Ų68.90%038%0.377CS..Hα-helixtrans-87.1-26.1-173.6-62.5170.9000113.7W359 Y362 A489 L494 S495 L680 L728 R731W359-L498 HydrophobicContact CZ3-CD1 4.11Å; Y362-L498 HydrophobicContact CE1-CD1 3.98Å; Y362-L498 HydrophobicContact CE2-CD1 4.45Å; A489-L498 HydrophobicContact CB-CD1 4.3Å; L494-L498 HydrophobicContact CB-CD1 3.67Å; L494-L498 HydrophobicContact CB-CG 4.14Å; L494-L498 HydrophobicContact CD1-CD1 4.34Å; L494-L498 WeakPolarHBondContact O-CG 3.49Å; L494-L498 PolarHBondContact O-N 2.98Å; S495-L498 PolarHBondContact O-N 2.78Å; L498-L680 HydrophobicContact CD1-CD2 3.76Å; L498-L680 HydrophobicContact CD2-CD2 4.45Å; L498-L680 HydrophobicContact CD2-CG 4.34Å; L498-L728 HydrophobicContact CD2-CD1 4.06Å; L498-L728 HydrophobicContact CD2-CD2 4.27Å; L498-R731 PolarHBondContact O-NH1 3.39Å; L498-R731 PolarHBondContact O-NH2 2.79Å
499F94.5Very high78.6Confident38 Ų3877.3 Ų77.317%0.16741%0.414CS..SBendtrans-132.862.7177.9-67-96.2000110.2L357 W359 Y362 S495 A501 F736L357-F499 HydrophobicContact CD2-CZ 4.45Å; L357-F499 HydrophobicContact CG-CZ 4.28Å; W359-F499 HydrophobicContact CB-CD2 4.12Å; W359-F499 HydrophobicContact CB-CE2 4.31Å; W359-F499 HydrophobicContact CB-CG 4.29Å; W359-F499 HydrophobicContact CD2-CD2 4.38Å; W359-F499 AromaticContact CE3-CD2 3.63Å; W359-F499 HydrophobicContact CE3-CD2 3.63Å; W359-F499 AromaticContact CE3-CE2 3.78Å; W359-F499 HydrophobicContact CE3-CE2 3.78Å; W359-F499 HydrophobicContact CZ3-CD2 4.44Å; Y362-F499 AromaticContact CD2-CE2 3.44Å; Y362-F499 HydrophobicContact CD2-CE2 3.44Å; Y362-F499 VanDerWaalsContact CD2-CE2 3.44Å; Y362-F499 AromaticContact CD2-CZ 3.68Å; Y362-F499 HydrophobicContact CD2-CZ 3.68Å; Y362-F499 AromaticContact CE2-CE2 3.88Å; Y362-F499 HydrophobicContact CE2-CE2 3.88Å; Y362-F499 HydrophobicContact CE2-CZ 4.26Å; Y362-F499 HydrophobicContact CG-CE2 4.16Å; S495-F499 CarbonylContact O-C 3.45Å; S495-F499 VanDerWaalsContact O-C 3.26Å; S495-F499 VanDerWaalsContact O-CA 3.3Å; S495-F499 WeakPolarHBondContact O-CA 3.5Å; S495-F499 PolarHBondContact O-N 3.01Å; F499-A501 PolarHBondContact O-N 2.96Å; F499-F736 HydrophobicContact CB-CE1 4.12Å; F499-F736 HydrophobicContact CB-CZ 4.27Å; F499-F736 HydrophobicContact CD1-CE1 4.11Å; F499-F736 AromaticContact CD1-CZ 3.69Å; F499-F736 HydrophobicContact CD1-CZ 3.69Å; F499-F736 HydrophobicContact CE1-CZ 4.35Å; F499-F736 HydrophobicContact CG-CE1 4.48Å; F499-F736 HydrophobicContact CG-CZ 4.2Å
500P91.8Very high77.9Confident6 Ų679.4 Ų79.44%0.03943%0.427CS..PPolyproline II helixtrans-65.8128-175.527.9-34.3000111A543 L732 F736 L738 Y739P500-A543 HydrophobicContact CB-CB 3.62Å; P500-L732 HydrophobicContact CG-CD2 3.86Å; P500-F736 HydrophobicContact CG-CD1 4.27Å; P500-F736 HydrophobicContact CG-CG 4.48Å; P500-F736 WeakPolarHBondContact O-CD1 3.15Å; P500-L738 HydrophobicContact CB-CD1 4.04Å; P500-Y739 HydrophobicContact CG-CE2 3.63Å
501A83.8Confident77.7Confident85 Ų8580.5 Ų80.570%0.70244%0.443SS*.PPolyproline II helixtrans-99.4148.5174.300000110.6F499F499-A501 PolarHBondContact O-N 2.96Å
502A70.8Confident78Confident66 Ų6679 Ų7955%0.54543%0.432SS..PPolyproline II helixtrans-62137.2172.500000110L738A502-L738 HydrophobicContact CB-CD2 3.97Å; A502-L738 HydrophobicContact CB-CG 4.41Å
503P68.1Low78.2Confident44 Ų4480.4 Ų80.429%0.28644%0.442SS..PPolyproline II helixtrans-60.8138.517624.2-30.9000109.4M505P503-M505 PolarHBondContact O-N 3.19Å; P503-M505 VanDerWaalsContact O-N 3.13Å
504P53.4Low78.5Confident138 Ų13880.1 Ų80.190%0.89645%0.452SS*.SBendtrans-65.7-15.5-176.322.8-31.7000113.6
505M55.1Low78.5Confident143 Ų14380.8 Ų80.870%0.70446%0.456SS*.SBendtrans-125.2143.2173.8-70.6-78.8-8000109P503 R507P503-M505 PolarHBondContact O-N 3.19Å; P503-M505 VanDerWaalsContact O-N 3.13Å; M505-R507 PolarHBondContact O-N 3.14Å; M505-R507 VanDerWaalsContact O-N 3.08Å
506P55.6Low78.6Confident124 Ų12486.5 Ų86.581%0.80547%0.474SS*.PPolyproline II helixtrans-57.2117.3169.5-14.326.5000108.3
507R58.2Low78.7Confident138 Ų13885.3 Ų85.352%0.52147%0.465SS..PPolyproline II helixtrans-61141168.3-75.2-178.8174.3171.1-3.3107.8M505 K509 S539 R541M505-R507 PolarHBondContact O-N 3.14Å; M505-R507 VanDerWaalsContact O-N 3.08Å; R507-K509 PolarHBondContact O-N 2.84Å; R507-S539 PolarHBondContact NH1-O 3.31Å; R507-R541 PolarHBondContact NH1-O 3.05Å; R507-R541 PolarHBondContact NH2-O 3.28Å
508E59.2Low78.7Confident185 Ų18588.3 Ų88.386%0.86448%0.478SS*.PPolyproline II helixtrans-50.9142.1163-72.7-179.6166.100108.5P510E508-P510 VanDerWaalsContact O-N 3.14Å
509K66.8Low78.4Confident193 Ų19391 Ų9184%0.83949%0.492SS*.PPolyproline II helixtrans-54.1126179.8-78.9-176.7177.7178.40107.7R507 D511R507-K509 PolarHBondContact O-N 2.84Å; K509-D511 PolarHBondContact O-N 3.01Å
510P72.8Confident78.2Confident43 Ų4395.7 Ų95.728%0.27951%0.51SS..PPolyproline II helixtrans-61132.8-178.123.1-31.3000109.3E508 L512 S539E508-P510 VanDerWaalsContact O-N 3.14Å; P510-L512 PolarHBondContact O-N 3.2Å; P510-S539 WeakPolarHBondContact CG-OG 3.38Å
511D82.8Confident77.9Confident159 Ų15999.7 Ų99.785%0.8553%0.528SS*.  trans-64.4108.3173.1-78.6-27.9000108.9K509K509-D511 PolarHBondContact O-N 3.01Å
512L90.8Very high78.1Confident61 Ų6195.9 Ų95.932%0.31950%0.496SS..  trans-80.7129.4-177.8-63.6178.6000110.1P510 Q533 H534 A537P510-L512 PolarHBondContact O-N 3.2Å; L512-Q533 HydrophobicContact CB-CB 4.32Å; L512-Q533 HydrophobicContact CD2-CB 4.24Å; L512-H534 WeakPolarHBondContact CD2-ND1 3.33Å; L512-A537 HydrophobicContact CD2-CB 4.35Å
513P91.9Very high78.9Confident39 Ų3996.6 Ų96.625%0.25349%0.488SS..  trans-66.7142.7178.528-34.7000110.3L515 Q533 V536P513-L515 HydrophobicContact CB-CD2 3.85Å; P513-L515 HydrophobicContact CB-CG 4.18Å; P513-L515 HydrophobicContact CG-CD1 4.22Å; P513-L515 HydrophobicContact CG-CD2 3.97Å; P513-L515 HydrophobicContact CG-CG 4.04Å; P513-L515 PolarHBondContact O-N 3.39Å; P513-Q533 PolarHBondContact O-NE2 2.95Å; P513-V536 HydrophobicContact CG-CB 4.36Å; P513-V536 HydrophobicContact CG-CG1 4.11Å
514T91.7Very high79.9Confident136 Ų136100.8 Ų100.883%0.83450%0.502SS*.  trans-80.1115.4165.3-58.40000107.9
515L92.9Very high81.8Confident15 Ų1594.3 Ų94.38%0.07946%0.46CS..  trans-111.1139.9-173.1-60.8176.1000110P513 L517 Y529 V532 Q533 V536P513-L515 HydrophobicContact CB-CD2 3.85Å; P513-L515 HydrophobicContact CB-CG 4.18Å; P513-L515 HydrophobicContact CG-CD1 4.22Å; P513-L515 HydrophobicContact CG-CD2 3.97Å; P513-L515 HydrophobicContact CG-CG 4.04Å; P513-L515 PolarHBondContact O-N 3.39Å; L515-L517 HydrophobicContact CB-CD2 3.87Å; L515-L517 HydrophobicContact CD1-CD2 4.41Å; L515-Y529 HydrophobicContact CB-CE2 4.29Å; L515-Y529 PolarHBondContact N-OH 2.96Å; L515-Y529 VanDerWaalsContact N-OH 3.13Å; L515-Y529 PolarHBondContact O-OH 3.43Å; L515-V532 HydrophobicContact CD1-CG1 3.72Å; L515-Q533 HydrophobicContact CD1-CG 4.06Å; L515-Q533 HydrophobicContact CG-CG 4.49Å; L515-V536 HydrophobicContact CD1-CB 4.31Å; L515-V536 HydrophobicContact CD1-CG2 4.03Å; L515-V536 HydrophobicContact CD2-CG1 4.39Å
516K93.4Very high83.7Confident166 Ų16690.8 Ų90.872%0.72245%0.447SS*.  trans-101.8106164.4-174.9176-179.9177.90107.4Q565K516-Q565 PolarHBondContact O-NE2 2.84Å
517L93Very high85.5Confident10 Ų1086.3 Ų86.35%0.05242%0.416CS..  trans-71.9152.4-174.1-58.5-168.3000110.8L515 L522 E523 Y529 V532 E561 Q565L515-L517 HydrophobicContact CB-CD2 3.87Å; L515-L517 HydrophobicContact CD1-CD2 4.41Å; L517-L522 HydrophobicContact CD1-CB 3.54Å; L517-L522 HydrophobicContact CD1-CD1 4.49Å; L517-E523 HydrophobicContact CB-CG 3.78Å; L517-E523 HydrophobicContact CD1-CG 3.96Å; L517-E523 HydrophobicContact CG-CG 3.77Å; L517-E523 PolarHBondContact N-OE1 2.78Å; L517-Y529 HydrophobicContact CD1-CD2 3.62Å; L517-Y529 HydrophobicContact CD1-CE2 4.27Å; L517-Y529 HydrophobicContact CD2-CD2 4.42Å; L517-Y529 HydrophobicContact CD2-CE2 4.37Å; L517-Y529 HydrophobicContact CG-CD2 3.96Å; L517-Y529 HydrophobicContact CG-CE2 4.09Å; L517-V532 HydrophobicContact CD2-CG1 3.89Å; L517-E561 VanDerWaalsContact CA-OE1 3.23Å; L517-E561 WeakPolarHBondContact CA-OE1 3.2Å; L517-E561 HydrophobicContact CB-CG 4.29Å; L517-E561 WeakPolarHBondContact CB-OE1 3.49Å; L517-E561 HydrophobicContact CD1-CG 4.12Å; L517-E561 HydrophobicContact CD2-CG 3.93Å; L517-E561 HydrophobicContact CG-CG 4.33Å; L517-Q565 HydrophobicContact CD2-CG 3.99Å
518F91.5Very high87.3Confident66 Ų6680 Ų8029%0.28939%0.393SS..SBendtrans-70.6-41.8172.8-69.1-91.6000110.1E561 K564 Q565 K568 H595F518-E561 WeakPolarHBondContact CD2-OE1 3.47Å; F518-E561 PolarHBondContact N-OE1 2.72Å; F518-K564 HydrophobicContact CB-CD 4.37Å; F518-K564 HydrophobicContact CD2-CB 3.6Å; F518-K564 HydrophobicContact CD2-CD 4.13Å; F518-K564 HydrophobicContact CD2-CG 4.43Å; F518-K564 HydrophobicContact CE2-CB 3.57Å; F518-K564 HydrophobicContact CG-CD 4.3Å; F518-K564 HydrophobicContact CZ-CB 4.41Å; F518-Q565 VanDerWaalsContact CD2-NE2 3.33Å; F518-K568 HydrophobicContact CE2-CB 4.41Å; F518-K568 HydrophobicContact CE2-CD 3.92Å; F518-K568 HydrophobicContact CZ-CB 4.29Å; F518-K568 HydrophobicContact CZ-CD 3.73Å; F518-K568 HydrophobicContact CZ-CG 4.46Å; F518-H595 HydrophobicContact CD1-CB 3.82Å; F518-H595 AromaticContact CD1-CD2 3.86Å; F518-H595 HydrophobicContact CE1-CB 4.18Å; F518-H595 HydrophobicContact CG-CB 4.31Å
519D89.3Confident89.1Confident55 Ų5573.5 Ų73.529%0.29436%0.36SS..SBendtrans-92.1102.7168.8-174.2-7000111.1Q521 L522 E561D519-Q521 PolarHBondContact O-N 3.44Å; D519-Q521 VanDerWaalsContact OD1-CB 3.31Å; D519-Q521 WeakPolarHBondContact OD1-CB 3.38Å; D519-Q521 PolarHBondContact OD1-N 3.28Å; D519-L522 HydrophobicContact CB-CD1 3.78Å; D519-L522 HydrophobicContact CB-CG 3.94Å; D519-L522 WeakPolarHBondContact O-CB 3.47Å; D519-L522 PolarHBondContact O-N 2.85Å; D519-L522 VanDerWaalsContact O-N 3.11Å; D519-E561 PolarHBondContact N-OE2 3.41Å
520Y88.5Confident90.4Very high138 Ų13867 Ų6754%0.54133%0.333SS..Hα-helixtrans-63-19.5179.677.6-86.1000113.8L522 E523Y520-L522 VanDerWaalsContact C-N 3.28Å; Y520-E523 PolarHBondContact O-N 2.82Å
521Q85.9Confident91.6Very high89 Ų8965 Ų6542%0.41632%0.32SS..Hα-helixtrans-71.2-29.3177.2-65.8-72-9.600111.2D519 E523 K524D519-Q521 PolarHBondContact O-N 3.44Å; D519-Q521 VanDerWaalsContact OD1-CB 3.31Å; D519-Q521 WeakPolarHBondContact OD1-CB 3.38Å; D519-Q521 PolarHBondContact OD1-N 3.28Å; Q521-E523 VanDerWaalsContact C-N 3.28Å; Q521-E523 PolarHBondContact O-N 2.86Å; Q521-K524 PolarHBondContact O-N 2.93Å
522L88Confident92.3Very high5 Ų557.4 Ų57.43%0.02628%0.279CS..Hα-helixtrans-66.8-30.2174.9-63.1175000111.9L517 D519 Y520 K524 N525 Q528 V557 E561L517-L522 HydrophobicContact CD1-CB 3.54Å; L517-L522 HydrophobicContact CD1-CD1 4.49Å; D519-L522 HydrophobicContact CB-CD1 3.78Å; D519-L522 HydrophobicContact CB-CG 3.94Å; D519-L522 WeakPolarHBondContact O-CB 3.47Å; D519-L522 PolarHBondContact O-N 2.85Å; D519-L522 VanDerWaalsContact O-N 3.11Å; Y520-L522 VanDerWaalsContact C-N 3.28Å; L522-K524 PolarHBondContact O-N 3.21Å; L522-N525 PolarHBondContact O-N 3.35Å; L522-Q528 HydrophobicContact CD2-CB 4.08Å; L522-Q528 HydrophobicContact CD2-CG 4.32Å; L522-Q528 VanDerWaalsContact CD2-NE2 3.35Å; L522-V557 HydrophobicContact CD1-CG1 3.96Å; L522-V557 HydrophobicContact CD2-CG1 3.98Å; L522-V557 HydrophobicContact CG-CG1 4.37Å; L522-E561 HydrophobicContact CD1-CB 3.55Å; L522-E561 HydrophobicContact CD1-CG 3.65Å
523E89Confident92.5Very high81 Ų8155.8 Ų55.838%0.37927%0.27SS..Hα-helixtrans-63.8-26.4176.6-59.9-17717000112.2L517 Y520 Q521 N525 Y529L517-E523 HydrophobicContact CB-CG 3.78Å; L517-E523 HydrophobicContact CD1-CG 3.96Å; L517-E523 HydrophobicContact CG-CG 3.77Å; L517-E523 PolarHBondContact N-OE1 2.78Å; Y520-E523 PolarHBondContact O-N 2.82Å; Q521-E523 VanDerWaalsContact C-N 3.28Å; Q521-E523 PolarHBondContact O-N 2.86Å; E523-N525 VanDerWaalsContact C-N 3.3Å; E523-Y529 HydrophobicContact CG-CD2 4.36Å; E523-Y529 HydrophobicContact CG-CE2 4.47Å
524K88.2Confident92.7Very high133 Ų13354.2 Ų54.258%0.57826%0.259SS*.THydrogen-bonded Turntrans-83.8-7.4176.4-59.6179.6-177.5175.10112.9Q521 L522 R756Q521-K524 PolarHBondContact O-N 2.93Å; L522-K524 PolarHBondContact O-N 3.21Å; K524-R756 PolarHBondContact O-NH1 3.32Å
525N94.2Very high93Very high1 Ų147.8 Ų47.81%0.00522%0.22CC..  trans-104.7102.2177.5-176.7-47.8000108.8L522 E523 E527 Q528 Y529 Y758L522-N525 PolarHBondContact O-N 3.35Å; E523-N525 VanDerWaalsContact C-N 3.3Å; N525-E527 VanDerWaalsContact C-N 3.28Å; N525-E527 PolarHBondContact O-N 3.17Å; N525-E527 PolarHBondContact OD1-N 3.49Å; N525-E527 PolarHBondContact OD1-OE2 3.42Å; N525-Q528 HydrophobicContact CB-CB 4.13Å; N525-Q528 HydrophobicContact CB-CG 4.29Å; N525-Q528 PolarHBondContact ND2-OE1 3.12Å; N525-Q528 PolarHBondContact O-N 2.97Å; N525-Q528 WeakPolarHBondContact OD1-CG 3.42Å; N525-Q528 PolarHBondContact OD1-N 3.37Å; N525-Y529 VanDerWaalsContact O-CB 3.32Å; N525-Y529 WeakPolarHBondContact O-CB 2.96Å; N525-Y529 PolarHBondContact O-N 3.14Å; N525-Y758 PolarHBondContact ND2-OH 3.35Å
526P93.6Very high93.1Very high69 Ų6947.6 Ų47.645%0.44822%0.219SC..Hα-helixtrans-62.5-35.4-17424.5-32.1000112.4Q530P526-Q530 WeakPolarHBondContact O-CB 3.49Å; P526-Q530 PolarHBondContact O-N 3.14Å
527E94.8Very high93.1Very high31 Ų3141.7 Ų41.715%0.14520%0.201CC..Hα-helixtrans-65.7-48.3179.2-56.585.7168.200111.1N525 A531 T752 L754N525-E527 VanDerWaalsContact C-N 3.28Å; N525-E527 PolarHBondContact O-N 3.17Å; N525-E527 PolarHBondContact OD1-N 3.49Å; N525-E527 PolarHBondContact OD1-OE2 3.42Å; E527-A531 WeakPolarHBondContact O-CB 3.27Å; E527-A531 PolarHBondContact O-N 3.48Å; E527-T752 HydrophobicContact CB-CG2 4.29Å; E527-T752 WeakPolarHBondContact O-CG2 3.33Å; E527-L754 HydrophobicContact CB-CD2 3.96Å
528Q95.9Very high93.1Very high6 Ų641.6 Ų41.63%0.02820%0.203CC..Hα-helixtrans-68.3-43.2179-64.3-178.2-69.300111.8L522 N525 A531 V532 G554 T558 L754L522-Q528 HydrophobicContact CD2-CB 4.08Å; L522-Q528 HydrophobicContact CD2-CG 4.32Å; L522-Q528 VanDerWaalsContact CD2-NE2 3.35Å; N525-Q528 HydrophobicContact CB-CB 4.13Å; N525-Q528 HydrophobicContact CB-CG 4.29Å; N525-Q528 PolarHBondContact ND2-OE1 3.12Å; N525-Q528 PolarHBondContact O-N 2.97Å; N525-Q528 WeakPolarHBondContact OD1-CG 3.42Å; N525-Q528 PolarHBondContact OD1-N 3.37Å; Q528-A531 PolarHBondContact O-N 3.4Å; Q528-V532 WeakPolarHBondContact O-CG2 3.5Å; Q528-V532 PolarHBondContact O-N 3.47Å; Q528-G554 PolarHBondContact NE2-O 2.89Å; Q528-T558 HydrophobicContact CB-CG2 4.34Å; Q528-T558 WeakPolarHBondContact CG-OG1 3.06Å; Q528-T558 PolarHBondContact NE2-OG1 3.21Å; Q528-L754 HydrophobicContact CG-CD1 4.32Å; Q528-L754 HydrophobicContact CG-CD2 3.78Å
529Y96.3Very high93.1Very high47 Ų4739 Ų3918%0.18419%0.193CC..Hα-helixtrans-60.8-47.4177.6-175.5-101.7000111.2L515 L517 E523 N525 A531 V532 Q533L515-Y529 HydrophobicContact CB-CE2 4.29Å; L515-Y529 PolarHBondContact N-OH 2.96Å; L515-Y529 VanDerWaalsContact N-OH 3.13Å; L515-Y529 PolarHBondContact O-OH 3.43Å; L517-Y529 HydrophobicContact CD1-CD2 3.62Å; L517-Y529 HydrophobicContact CD1-CE2 4.27Å; L517-Y529 HydrophobicContact CD2-CD2 4.42Å; L517-Y529 HydrophobicContact CD2-CE2 4.37Å; L517-Y529 HydrophobicContact CG-CD2 3.96Å; L517-Y529 HydrophobicContact CG-CE2 4.09Å; E523-Y529 HydrophobicContact CG-CD2 4.36Å; E523-Y529 HydrophobicContact CG-CE2 4.47Å; N525-Y529 VanDerWaalsContact O-CB 3.32Å; N525-Y529 WeakPolarHBondContact O-CB 2.96Å; N525-Y529 PolarHBondContact O-N 3.14Å; Y529-A531 PolarHBondContact O-N 3.01Å; Y529-V532 PolarHBondContact O-N 2.79Å; Y529-Q533 HydrophobicContact CD1-CG 4.21Å; Y529-Q533 HydrophobicContact CE1-CG 3.91Å; Y529-Q533 VanDerWaalsContact CE1-OE1 3.26Å; Y529-Q533 WeakPolarHBondContact O-CG 3.21Å; Y529-Q533 PolarHBondContact O-N 2.8Å
530Q94.6Very high93.1Very high58 Ų5836.5 Ų36.527%0.27118%0.18SC..Hα-helixtrans-62.4-41.7177.7179.216622.400112.1P526 V532 Q533 H534 N748P526-Q530 WeakPolarHBondContact O-CB 3.49Å; P526-Q530 PolarHBondContact O-N 3.14Å; Q530-V532 VanDerWaalsContact C-N 3.33Å; Q530-V532 PolarHBondContact O-N 2.99Å; Q530-Q533 PolarHBondContact O-N 3.03Å; Q530-H534 VanDerWaalsContact CG-CD2 3.46Å; Q530-H534 WeakPolarHBondContact CG-CD2 3.46Å; Q530-H534 PolarHBondContact NE2-NE2 3.38Å; Q530-H534 PolarHBondContact O-CD2 3.24Å; Q530-H534 VanDerWaalsContact O-CD2 3.23Å; Q530-H534 PolarHBondContact O-N 2.95Å; Q530-N748 VanDerWaalsContact CD-ND2 3.3Å; Q530-N748 HydrophobicContact CG-CB 4.41Å; Q530-N748 VanDerWaalsContact NE2-CB 3.32Å; Q530-N748 PolarHBondContact NE2-ND2 3.46Å; Q530-N748 PolarHBondContact OE1-ND2 2.86Å
531A96.8Very high93.2Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-58-46.3174.600000111.5E527 Q528 Y529 Q533 H534 I535 Y545 V547 T558 T752E527-A531 WeakPolarHBondContact O-CB 3.27Å; E527-A531 PolarHBondContact O-N 3.48Å; Q528-A531 PolarHBondContact O-N 3.4Å; Y529-A531 PolarHBondContact O-N 3.01Å; A531-Q533 PolarHBondContact O-N 3.15Å; A531-H534 PolarHBondContact O-N 3.28Å; A531-I535 WeakPolarHBondContact O-CB 3.28Å; A531-I535 WeakPolarHBondContact O-CD1 3.26Å; A531-I535 WeakPolarHBondContact O-CG1 3.48Å; A531-I535 PolarHBondContact O-N 2.65Å; A531-Y545 HydrophobicContact CB-CE1 4.36Å; A531-V547 HydrophobicContact CB-CG2 4.28Å; A531-T558 HydrophobicContact CB-CG2 3.82Å; A531-T752 HydrophobicContact CB-CG2 4.01Å
532V97.5Very high93.3Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-61.3-44.2177.3175.20000111L515 L517 Q528 Y529 Q530 H534 I535 V536 T558 E561 A562 Q565L515-V532 HydrophobicContact CD1-CG1 3.72Å; L517-V532 HydrophobicContact CD2-CG1 3.89Å; Q528-V532 WeakPolarHBondContact O-CG2 3.5Å; Q528-V532 PolarHBondContact O-N 3.47Å; Y529-V532 PolarHBondContact O-N 2.79Å; Q530-V532 VanDerWaalsContact C-N 3.33Å; Q530-V532 PolarHBondContact O-N 2.99Å; V532-H534 PolarHBondContact O-N 3.44Å; V532-I535 PolarHBondContact O-N 2.89Å; V532-V536 HydrophobicContact CG1-CG2 4.2Å; V532-V536 WeakPolarHBondContact O-CB 3.49Å; V532-V536 VanDerWaalsContact O-CG2 3.24Å; V532-V536 WeakPolarHBondContact O-CG2 3.36Å; V532-V536 PolarHBondContact O-N 2.71Å; V532-T558 HydrophobicContact CG2-CG2 4.06Å; V532-E561 HydrophobicContact CG1-CG 4.36Å; V532-E561 HydrophobicContact CG2-CB 4.15Å; V532-E561 HydrophobicContact CG2-CG 4.03Å; V532-A562 HydrophobicContact CG1-CB 4.46Å; V532-A562 HydrophobicContact CG2-CB 4.36Å; V532-Q565 HydrophobicContact CG1-CB 4.42Å; V532-Q565 HydrophobicContact CG1-CG 3.99Å
533Q96.4Very high93.5Very high26 Ų2630.8 Ų30.812%0.12116%0.16CC..Hα-helixtrans-59.3-48.8177.6-70-178.7-65.400112.4L512 P513 L515 Y529 Q530 A531 V536 A537L512-Q533 HydrophobicContact CB-CB 4.32Å; L512-Q533 HydrophobicContact CD2-CB 4.24Å; P513-Q533 PolarHBondContact O-NE2 2.95Å; L515-Q533 HydrophobicContact CD1-CG 4.06Å; L515-Q533 HydrophobicContact CG-CG 4.49Å; Y529-Q533 HydrophobicContact CD1-CG 4.21Å; Y529-Q533 HydrophobicContact CE1-CG 3.91Å; Y529-Q533 VanDerWaalsContact CE1-OE1 3.26Å; Y529-Q533 WeakPolarHBondContact O-CG 3.21Å; Y529-Q533 PolarHBondContact O-N 2.8Å; Q530-Q533 PolarHBondContact O-N 3.03Å; A531-Q533 PolarHBondContact O-N 3.15Å; Q533-V536 PolarHBondContact O-N 3.17Å; Q533-A537 WeakPolarHBondContact O-CB 3.4Å; Q533-A537 PolarHBondContact O-N 3.37Å
534H96Very high93.9Very high7 Ų727 Ų273%0.03214%0.142CC..Hα-helixtrans-66.7-36.8179.8-78-68.5000112.9L512 Q530 A531 V532 G538 S539 Y545 N748L512-H534 WeakPolarHBondContact CD2-ND1 3.33Å; Q530-H534 VanDerWaalsContact CG-CD2 3.46Å; Q530-H534 WeakPolarHBondContact CG-CD2 3.46Å; Q530-H534 PolarHBondContact NE2-NE2 3.38Å; Q530-H534 PolarHBondContact O-CD2 3.24Å; Q530-H534 VanDerWaalsContact O-CD2 3.23Å; Q530-H534 PolarHBondContact O-N 2.95Å; A531-H534 PolarHBondContact O-N 3.28Å; V532-H534 PolarHBondContact O-N 3.44Å; H534-G538 PolarHBondContact O-N 3.17Å; H534-G538 VanDerWaalsContact O-N 3.1Å; H534-S539 WeakPolarHBondContact ND1-CB 3.22Å; H534-S539 PolarHBondContact ND1-OG 2.94Å; H534-S539 PolarHBondContact O-N 3.5Å; H534-S539 VanDerWaalsContact O-N 3.09Å; H534-Y545 HydrophobicContact CB-CD2 4.27Å; H534-Y545 HydrophobicContact CB-CE2 3.39Å; H534-N748 PolarHBondContact CD2-O 3.36Å; H534-N748 PolarHBondContact NE2-O 3.31Å
535I96.5Very high94.3Very high0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-63-52.4175.2-69.8163.7000109.7A531 V532 A537 G538 Y545 V547 A562 I566 F667 Q700 V702A531-I535 WeakPolarHBondContact O-CB 3.28Å; A531-I535 WeakPolarHBondContact O-CD1 3.26Å; A531-I535 WeakPolarHBondContact O-CG1 3.48Å; A531-I535 PolarHBondContact O-N 2.65Å; V532-I535 PolarHBondContact O-N 2.89Å; I535-A537 VanDerWaalsContact C-N 3.3Å; I535-A537 PolarHBondContact O-N 3.45Å; I535-G538 PolarHBondContact O-N 3.43Å; I535-Y545 HydrophobicContact CD1-CD1 3.94Å; I535-Y545 HydrophobicContact CD1-CE1 4.11Å; I535-Y545 HydrophobicContact CG1-CD1 3.46Å; I535-Y545 VanDerWaalsContact CG1-CD1 3.46Å; I535-Y545 HydrophobicContact CG1-CE1 3.79Å; I535-Y545 HydrophobicContact CG1-CG 3.97Å; I535-V547 HydrophobicContact CD1-CG2 3.94Å; I535-A562 HydrophobicContact CB-CB 4.14Å; I535-A562 HydrophobicContact CD1-CB 3.96Å; I535-A562 HydrophobicContact CG2-CB 3.75Å; I535-I566 HydrophobicContact CG2-CD1 3.99Å; I535-F667 HydrophobicContact CG2-CE1 4.06Å; I535-F667 HydrophobicContact CG2-CZ 3.85Å; I535-Q700 PolarHBondContact O-NE2 2.89Å; I535-Q700 VanDerWaalsContact O-NE2 3.08Å; I535-Q700 PolarHBondContact O-OE1 3.09Å; I535-V702 HydrophobicContact CD1-CG1 3.88Å; I535-V702 HydrophobicContact CG1-CG1 4.2Å; I535-V702 HydrophobicContact CG1-CG2 4.28Å; I535-V702 HydrophobicContact CG2-CG2 3.96Å
536V95.9Very high94.5Very high12 Ų1220.6 Ų20.67%0.07312%0.115CC..Hα-helixtrans-61.6-38.9179.9174.80000111.6P513 L515 V532 Q533 G538 Q565 I566 Q570P513-V536 HydrophobicContact CG-CB 4.36Å; P513-V536 HydrophobicContact CG-CG1 4.11Å; L515-V536 HydrophobicContact CD1-CB 4.31Å; L515-V536 HydrophobicContact CD1-CG2 4.03Å; L515-V536 HydrophobicContact CD2-CG1 4.39Å; V532-V536 HydrophobicContact CG1-CG2 4.2Å; V532-V536 WeakPolarHBondContact O-CB 3.49Å; V532-V536 VanDerWaalsContact O-CG2 3.24Å; V532-V536 WeakPolarHBondContact O-CG2 3.36Å; V532-V536 PolarHBondContact O-N 2.71Å; Q533-V536 PolarHBondContact O-N 3.17Å; V536-G538 VanDerWaalsContact C-N 3.25Å; V536-G538 PolarHBondContact O-N 2.89Å; V536-Q565 HydrophobicContact CG2-CB 3.65Å; V536-I566 HydrophobicContact CG2-CG1 4.16Å; V536-Q570 PolarHBondContact O-NE2 3.36Å
537A93.8Very high94.6Very high41 Ų4117.3 Ų17.334%0.3399%0.093SC..Hα-helixtrans-72.2-13.7177.500000113.9L512 Q533 I535 S539L512-A537 HydrophobicContact CD2-CB 4.35Å; Q533-A537 WeakPolarHBondContact O-CB 3.4Å; Q533-A537 PolarHBondContact O-N 3.37Å; I535-A537 VanDerWaalsContact C-N 3.3Å; I535-A537 PolarHBondContact O-N 3.45Å; A537-S539 VanDerWaalsContact C-N 3.31Å; A537-S539 PolarHBondContact O-N 3.27Å
538G92.2Very high94.7Very high9 Ų916.3 Ų16.39%0.0939%0.088CC..THydrogen-bonded Turntrans67.927.7-175.600000114.2H534 I535 V536 S540 R541H534-G538 PolarHBondContact O-N 3.17Å; H534-G538 VanDerWaalsContact O-N 3.1Å; I535-G538 PolarHBondContact O-N 3.43Å; V536-G538 VanDerWaalsContact C-N 3.25Å; V536-G538 PolarHBondContact O-N 2.89Å; G538-S540 VanDerWaalsContact C-N 3.28Å; G538-S540 PolarHBondContact O-N 3.14Å; G538-S540 VanDerWaalsContact O-N 3.14Å; G538-R541 WeakPolarHBondContact O-CB 3.41Å; G538-R541 WeakPolarHBondContact O-CG 3.17Å; G538-R541 PolarHBondContact O-N 3.18Å; G538-R541 VanDerWaalsContact O-N 3.1Å
539S91.1Very high94.4Very high12 Ų1216 Ų168%0.0849%0.087CC..THydrogen-bonded Turntrans-56.1-36.4-168.2-62.60000114.6R507 P510 H534 A537R507-S539 PolarHBondContact NH1-O 3.31Å; P510-S539 WeakPolarHBondContact CG-OG 3.38Å; H534-S539 WeakPolarHBondContact ND1-CB 3.22Å; H534-S539 PolarHBondContact ND1-OG 2.94Å; H534-S539 PolarHBondContact O-N 3.5Å; H534-S539 VanDerWaalsContact O-N 3.09Å; A537-S539 VanDerWaalsContact C-N 3.31Å; A537-S539 PolarHBondContact O-N 3.27Å
540S91.1Very high94Very high1 Ų113.8 Ų13.81%0.0078%0.079CC..THydrogen-bonded Turntrans-83.1-13.9-176.266.20000113.9G538 A543 Y545 C749G538-S540 VanDerWaalsContact C-N 3.28Å; G538-S540 PolarHBondContact O-N 3.14Å; G538-S540 VanDerWaalsContact O-N 3.14Å; S540-A543 CarbonylContact C-O 3.38Å; S540-A543 VanDerWaalsContact CB-O 3.25Å; S540-A543 WeakPolarHBondContact CB-O 3.48Å; S540-A543 WeakPolarHBondContact O-CA 3.49Å; S540-A543 VanDerWaalsContact O-CB 3.27Å; S540-A543 WeakPolarHBondContact O-CB 3.49Å; S540-A543 PolarHBondContact O-N 3.35Å; S540-A543 VanDerWaalsContact O-O 3.13Å; S540-A543 PolarHBondContact OG-O 3.22Å; S540-Y545 PolarHBondContact OG-N 2.97Å; S540-C749 WeakPolarHBondContact CB-O 3.48Å; S540-C749 PolarHBondContact N-O 2.99Å
541R89.6Confident93.5Very high61 Ų6111.3 Ų11.323%0.237%0.067CC..THydrogen-bonded Turntrans-54.2135.8-169.8-67.5178.3-164.4-174.34.6111.6R507 G538 H665 T698 Q700R507-R541 PolarHBondContact NH1-O 3.05Å; R507-R541 PolarHBondContact NH2-O 3.28Å; G538-R541 WeakPolarHBondContact O-CB 3.41Å; G538-R541 WeakPolarHBondContact O-CG 3.17Å; G538-R541 PolarHBondContact O-N 3.18Å; G538-R541 VanDerWaalsContact O-N 3.1Å; R541-H665 PolarHBondContact NH2-NE2 2.95Å; R541-T698 PolarHBondContact NH1-O 3.16Å; R541-Q700 HydrophobicContact CG-CB 4.06Å; R541-Q700 HydrophobicContact CG-CG 4.03Å
542P87.9Confident93Very high45 Ų4512 Ų1229%0.2928%0.075SC..THydrogen-bonded Turncis-85.2-1.92.536.5-39.3000114.9T696P542-T696 WeakPolarHBondContact CB-O 3.09Å
543A92.9Very high92.8Very high7 Ų712 Ų126%0.0588%0.075CC..SBendtrans-69.4148.717900000111.3P500 S540 Y750P500-A543 HydrophobicContact CB-CB 3.62Å; S540-A543 CarbonylContact C-O 3.38Å; S540-A543 VanDerWaalsContact CB-O 3.25Å; S540-A543 WeakPolarHBondContact CB-O 3.48Å; S540-A543 WeakPolarHBondContact O-CA 3.49Å; S540-A543 VanDerWaalsContact O-CB 3.27Å; S540-A543 WeakPolarHBondContact O-CB 3.49Å; S540-A543 PolarHBondContact O-N 3.35Å; S540-A543 VanDerWaalsContact O-O 3.13Å; S540-A543 PolarHBondContact OG-O 3.22Å; A543-Y750 HydrophobicContact CB-CD1 4.12Å; A543-Y750 HydrophobicContact CB-CE1 3.98Å
544P95.7Very high92.6Very high0 Ų011.7 Ų11.70%08%0.079CC..PPolyproline II helixtrans-56.7144.1174-26.634.1000113.1V497 L546 L701 L703 L732 Y739V497-P544 HydrophobicContact CG1-CG 3.87Å; V497-P544 WeakPolarHBondContact O-CD 3.1Å; V497-P544 VanDerWaalsContact O-CG 3.29Å; V497-P544 WeakPolarHBondContact O-CG 3.43Å; P544-L546 HydrophobicContact CB-CD2 4.23Å; P544-L701 CarbonylContact C-O 3.58Å; P544-L701 WeakPolarHBondContact CA-O 3.47Å; P544-L701 HydrophobicContact CB-CB 4.45Å; P544-L701 HydrophobicContact CB-CD2 4.43Å; P544-L701 HydrophobicContact CB-CG 4.39Å; P544-L701 HydrophobicContact CG-CD2 4.09Å; P544-L703 HydrophobicContact CB-CD1 4.38Å; P544-L732 HydrophobicContact CB-CD1 4.11Å; P544-L732 HydrophobicContact CG-CD1 3.91Å; P544-Y739 WeakPolarHBondContact CD-OH 3.11Å; P544-Y739 WeakPolarHBondContact O-CE1 3.24Å; P544-Y739 PolarHBondContact O-OH 3.31Å
545Y97.3Very high92.6Very high0 Ų011.9 Ų11.90%08%0.079CC..EExtended strand (participates in β ladder)trans-94.2127.9166.1-164.9-89.9000109.5A531 H534 I535 S540 V547 L701 V702 L703 N748 C749 Y750 T752A531-Y545 HydrophobicContact CB-CE1 4.36Å; H534-Y545 HydrophobicContact CB-CD2 4.27Å; H534-Y545 HydrophobicContact CB-CE2 3.39Å; I535-Y545 HydrophobicContact CD1-CD1 3.94Å; I535-Y545 HydrophobicContact CD1-CE1 4.11Å; I535-Y545 HydrophobicContact CG1-CD1 3.46Å; I535-Y545 VanDerWaalsContact CG1-CD1 3.46Å; I535-Y545 HydrophobicContact CG1-CE1 3.79Å; I535-Y545 HydrophobicContact CG1-CG 3.97Å; S540-Y545 PolarHBondContact OG-N 2.97Å; Y545-V547 HydrophobicContact CD1-CG2 3.97Å; Y545-V547 HydrophobicContact CE1-CG2 3.84Å; Y545-L701 PolarHBondContact N-O 2.92Å; Y545-V702 HydrophobicContact CD1-CG1 4.48Å; Y545-V702 CarbonylContact O-C 3.59Å; Y545-V702 WeakPolarHBondContact O-CA 2.96Å; Y545-L703 PolarHBondContact O-N 2.97Å; Y545-N748 VanDerWaalsContact CE2-O 3.28Å; Y545-N748 WeakPolarHBondContact CE2-O 3.42Å; Y545-N748 PolarHBondContact OH-O 3.34Å; Y545-C749 WeakPolarHBondContact CE2-O 3.45Å; Y545-Y750 CarbonylContact C-O 3.39Å; Y545-Y750 WeakPolarHBondContact CA-O 3.17Å; Y545-T752 PolarHBondContact OH-OG1 2.95Å
546L97.8Very high92.4Very high0 Ų012.9 Ų12.90%09%0.085CC..EExtended strand (participates in β ladder)trans-105.4124.6-178.6-52.5-172.6000111.2P544 L703 L732 M733 Y739 Y750 V751 T752P544-L546 HydrophobicContact CB-CD2 4.23Å; L546-L703 WeakPolarHBondContact CA-O 3.16Å; L546-L703 HydrophobicContact CD2-CB 3.73Å; L546-L703 HydrophobicContact CD2-CD1 3.86Å; L546-L703 HydrophobicContact CD2-CG 4.13Å; L546-L732 HydrophobicContact CD1-CB 4.14Å; L546-L732 HydrophobicContact CD2-CD1 4.17Å; L546-M733 HydrophobicContact CD1-CG 3.57Å; L546-M733 HydrophobicContact CD1-SD 4.46Å; L546-Y739 HydrophobicContact CD1-CD1 3.34Å; L546-Y739 HydrophobicContact CD1-CD2 4.5Å; L546-Y739 HydrophobicContact CD1-CE1 3.74Å; L546-Y739 HydrophobicContact CD1-CG 3.76Å; L546-Y739 HydrophobicContact CG-CD1 3.68Å; L546-Y739 HydrophobicContact CG-CE1 3.65Å; L546-Y750 PolarHBondContact N-O 2.72Å; L546-V751 HydrophobicContact CB-CB 4.06Å; L546-V751 HydrophobicContact CB-CG2 4Å; L546-V751 CarbonylContact O-C 3.6Å; L546-V751 VanDerWaalsContact O-CA 3.28Å; L546-V751 WeakPolarHBondContact O-CA 3.42Å; L546-T752 PolarHBondContact O-N 3.34Å
547V97.5Very high92.4Very high0 Ų014.1 Ų14.10%09%0.093CC..EExtended strand (participates in β ladder)trans-109.9103.3166.9-179.20000107.7A531 I535 Y545 T558 L559 L703 A704 G705 L754A531-V547 HydrophobicContact CB-CG2 4.28Å; I535-V547 HydrophobicContact CD1-CG2 3.94Å; Y545-V547 HydrophobicContact CD1-CG2 3.97Å; Y545-V547 HydrophobicContact CE1-CG2 3.84Å; V547-T558 HydrophobicContact CG1-CG2 4.42Å; V547-L559 HydrophobicContact CB-CD2 4.5Å; V547-L559 HydrophobicContact CG2-CD2 4.25Å; V547-L703 PolarHBondContact N-O 3.42Å; V547-A704 HydrophobicContact CB-CB 4.15Å; V547-A704 WeakPolarHBondContact O-CA 3.3Å; V547-A704 WeakPolarHBondContact O-CB 3.46Å; V547-G705 PolarHBondContact O-N 2.68Å; V547-L754 HydrophobicContact CG1-CD1 3.86Å; V547-L754 HydrophobicContact CG1-CD2 4.43Å; V547-L754 HydrophobicContact CG1-CG 4.08Å
548F95.1Very high92.5Very high10 Ų1012.2 Ų12.24%0.0448%0.077CC..EExtended strand (participates in β ladder)trans-117.8156.2178.786.7-80.2000111.4G705 M733 Y746 V751 T752 K753 L754F548-G705 VanDerWaalsContact CA-O 3.24Å; F548-G705 WeakPolarHBondContact CA-O 3.36Å; F548-G705 WeakPolarHBondContact CB-O 3.46Å; F548-M733 HydrophobicContact CB-CE 4.41Å; F548-M733 HydrophobicContact CB-SD 4.21Å; F548-M733 HydrophobicContact CD1-CE 3.59Å; F548-M733 HydrophobicContact CD1-SD 4.25Å; F548-M733 HydrophobicContact CD2-CE 3.71Å; F548-M733 HydrophobicContact CD2-SD 4.47Å; F548-M733 HydrophobicContact CE1-CE 3.59Å; F548-M733 HydrophobicContact CE2-CE 3.71Å; F548-M733 HydrophobicContact CG-CE 3.62Å; F548-M733 HydrophobicContact CG-SD 4.06Å; F548-M733 HydrophobicContact CZ-CE 3.63Å; F548-Y746 HydrophobicContact CE1-CD2 4.29Å; F548-Y746 HydrophobicContact CE1-CE1 4.22Å; F548-Y746 AromaticContact CE1-CE2 3.95Å; F548-Y746 HydrophobicContact CE1-CE2 3.95Å; F548-Y746 AromaticContact CE1-CZ 3.9Å; F548-Y746 HydrophobicContact CZ-CD2 4.26Å; F548-Y746 HydrophobicContact CZ-CE1 4.24Å; F548-Y746 AromaticContact CZ-CE2 3.52Å; F548-Y746 HydrophobicContact CZ-CE2 3.52Å; F548-Y746 AromaticContact CZ-CZ 3.5Å; F548-Y746 VanDerWaalsContact CZ-CZ 3.5Å; F548-V751 HydrophobicContact CD1-CG2 3.47Å; F548-V751 VanDerWaalsContact CD1-CG2 3.47Å; F548-V751 HydrophobicContact CE1-CG2 3.5Å; F548-V751 VanDerWaalsContact CE1-CG2 3.5Å; F548-T752 PolarHBondContact N-O 2.75Å; F548-K753 HydrophobicContact CD1-CB 4.29Å; F548-K753 HydrophobicContact CD2-CG 4.4Å; F548-K753 HydrophobicContact CE1-CB 3.54Å; F548-K753 HydrophobicContact CE1-CG 4.01Å; F548-K753 HydrophobicContact CE2-CB 4.16Å; F548-K753 HydrophobicContact CE2-CD 3.9Å; F548-K753 HydrophobicContact CE2-CG 3.65Å; F548-K753 HydrophobicContact CZ-CB 3.47Å; F548-K753 VanDerWaalsContact CZ-CB 3.47Å; F548-K753 HydrophobicContact CZ-CD 3.64Å; F548-K753 HydrophobicContact CZ-CG 3.43Å; F548-K753 VanDerWaalsContact CZ-CG 3.43Å; F548-K753 CarbonylContact O-C 3.51Å; F548-K753 WeakPolarHBondContact O-CA 3.45Å; F548-L754 PolarHBondContact O-N 2.7Å
549G90.8Very high92.8Very high0 Ų011.8 Ų11.80%07%0.072CC..  trans169.1166.6173.200000112K555 G705 D706G549-K555 WeakPolarHBondContact O-CD 3.42Å; G549-K555 PolarHBondContact O-NZ 3.49Å; G549-G705 PolarHBondContact N-O 3.23Å; G549-D706 WeakPolarHBondContact O-CB 3.42Å
550P86.9Confident93.1Very high1 Ų111.4 Ų11.41%0.0067%0.07CC..  trans-63.2170-174.1-29.844.3000113.2G552 T553 K555 D706 L754 Y773 L777P550-G552 PolarHBondContact O-N 3.47Å; P550-T553 HydrophobicContact CB-CG2 4.2Å; P550-T553 PolarHBondContact O-N 2.9Å; P550-T553 PolarHBondContact O-OG1 2.88Å; P550-K555 PolarHBondContact O-NZ 3.45Å; P550-K555 VanDerWaalsContact O-NZ 3.15Å; P550-D706 WeakPolarHBondContact CA-OD2 3.14Å; P550-L754 WeakPolarHBondContact CD-O 3.24Å; P550-Y773 HydrophobicContact CB-CD1 4.34Å; P550-Y773 HydrophobicContact CB-CD2 4.04Å; P550-Y773 HydrophobicContact CB-CE1 3.97Å; P550-Y773 HydrophobicContact CB-CE2 3.63Å; P550-Y773 HydrophobicContact CB-CG 4.35Å; P550-Y773 HydrophobicContact CG-CD1 3.36Å; P550-Y773 HydrophobicContact CG-CD2 3.7Å; P550-Y773 HydrophobicContact CG-CE1 3.36Å; P550-Y773 HydrophobicContact CG-CE2 3.69Å; P550-Y773 HydrophobicContact CG-CG 3.51Å; P550-Y773 VanDerWaalsContact CG-CZ 3.47Å; P550-L777 HydrophobicContact CB-CD1 3.71Å; P550-L777 HydrophobicContact CB-CD2 3.85Å; P550-L777 HydrophobicContact CB-CG 4.31Å; P550-L777 HydrophobicContact CG-CD1 3.71Å; P550-L777 HydrophobicContact CG-CD2 3.38Å; P550-L777 HydrophobicContact CG-CG 3.85Å
551P83.9Confident93.4Very high5 Ų511.5 Ų11.53%0.0327%0.07CC..THydrogen-bonded Turntrans-58.4139.5173.6-6.312.4000111.3T553 Q709 N757 T935P551-T553 VanDerWaalsContact C-N 3.34Å; P551-T553 PolarHBondContact O-N 3.13Å; P551-Q709 HydrophobicContact CG-CG 4.35Å; P551-N757 PolarHBondContact O-ND2 2.72Å; P551-T935 HydrophobicContact CG-CG2 4.12Å; P551-T935 VanDerWaalsContact CG-OG1 3.24Å; P551-T935 WeakPolarHBondContact CG-OG1 3.43Å
552G87.6Confident93.8Very high15 Ų158.6 Ų8.616%0.1556%0.059CC..THydrogen-bonded Turntrans80.65.9177.900000115.7P550 G554 Y758P550-G552 PolarHBondContact O-N 3.47Å; G552-G554 VanDerWaalsContact C-N 3.33Å; G552-Y758 PolarHBondContact O-N 2.91Å
553T92.6Very high94.3Very high0 Ų06.4 Ų6.40%05%0.045CC..SBendtrans-87.63.8176.261.50000115.3P550 P551 L754 R756 L777P550-T553 HydrophobicContact CB-CG2 4.2Å; P550-T553 PolarHBondContact O-N 2.9Å; P550-T553 PolarHBondContact O-OG1 2.88Å; P551-T553 VanDerWaalsContact C-N 3.34Å; P551-T553 PolarHBondContact O-N 3.13Å; T553-L754 WeakPolarHBondContact O-CD1 3.46Å; T553-R756 VanDerWaalsContact CA-O 3.25Å; T553-R756 WeakPolarHBondContact CA-O 3.2Å; T553-L777 HydrophobicContact CG2-CD2 4.03Å
554G92.9Very high94.4Very high20 Ų206.4 Ų6.421%0.2064%0.044CC..  trans84.321172.900000115.8Q528 G552 T556 V557 T558Q528-G554 PolarHBondContact NE2-O 2.89Å; G552-G554 VanDerWaalsContact C-N 3.33Å; G554-T556 PolarHBondContact O-N 3.13Å; G554-V557 WeakPolarHBondContact O-CA 3.43Å; G554-V557 WeakPolarHBondContact O-CB 3.46Å; G554-V557 PolarHBondContact O-N 3.42Å; G554-T558 PolarHBondContact O-N 3.49Å; G554-T558 PolarHBondContact O-OG1 3.49Å; G554-T558 VanDerWaalsContact O-OG1 3.05Å
555K94.7Very high94.5Very high11 Ų116.6 Ų6.65%0.0484%0.044CC..Hα-helixtrans-44.1-56.5176.3-66.7-172.3-65.8-73.70113.7G549 P550 V557 T558 L559 A704 G705 L754G549-K555 WeakPolarHBondContact O-CD 3.42Å; G549-K555 PolarHBondContact O-NZ 3.49Å; P550-K555 PolarHBondContact O-NZ 3.45Å; P550-K555 VanDerWaalsContact O-NZ 3.15Å; K555-V557 VanDerWaalsContact C-N 3.3Å; K555-V557 PolarHBondContact O-N 3.23Å; K555-T558 WeakPolarHBondContact O-CB 3.36Å; K555-T558 PolarHBondContact O-N 3.2Å; K555-L559 PolarHBondContact O-N 3.41Å; K555-A704 HydrophobicContact CB-CB 4.47Å; K555-G705 VanDerWaalsContact CD-O 3.24Å; K555-G705 WeakPolarHBondContact CD-O 3.42Å; K555-L754 HydrophobicContact CB-CD1 4.44Å; K555-L754 HydrophobicContact CG-CD1 3.94Å
556T94.1Very high94.4Very high20 Ų206.6 Ų6.612%0.1234%0.044CC..Hα-helixtrans-59.5-39.7178.7-510000112G554 L559 V560 L587 L588 D669G554-T556 PolarHBondContact O-N 3.13Å; T556-L559 PolarHBondContact O-N 3.45Å; T556-V560 HydrophobicContact CG2-CG2 4.41Å; T556-V560 WeakPolarHBondContact O-CB 3.23Å; T556-V560 WeakPolarHBondContact O-CG2 3.32Å; T556-V560 PolarHBondContact O-N 2.88Å; T556-L587 HydrophobicContact CG2-CD2 4.05Å; T556-L587 HydrophobicContact CG2-CG 4.16Å; T556-L588 HydrophobicContact CG2-CD2 3.78Å; T556-L588 HydrophobicContact CG2-CG 4.36Å; T556-D669 WeakPolarHBondContact CB-OD2 3.25Å; T556-D669 VanDerWaalsContact CG2-OD2 3.3Å; T556-D669 WeakPolarHBondContact CG2-OD2 3.43Å; T556-D669 PolarHBondContact OG1-OD2 2.95Å
557V94.8Very high94.3Very high39 Ų397.4 Ų7.424%0.2365%0.048CC..Hα-helixtrans-67-40.6178.3178.60000110.6L522 G554 K555 V560 E561 K591L522-V557 HydrophobicContact CD1-CG1 3.96Å; L522-V557 HydrophobicContact CD2-CG1 3.98Å; L522-V557 HydrophobicContact CG-CG1 4.37Å; G554-V557 WeakPolarHBondContact O-CA 3.43Å; G554-V557 WeakPolarHBondContact O-CB 3.46Å; G554-V557 PolarHBondContact O-N 3.42Å; K555-V557 VanDerWaalsContact C-N 3.3Å; K555-V557 PolarHBondContact O-N 3.23Å; V557-V560 PolarHBondContact O-N 2.96Å; V557-E561 WeakPolarHBondContact O-CB 3.24Å; V557-E561 PolarHBondContact O-N 3.27Å; V557-K591 HydrophobicContact CG2-CD 4.28Å
558T97Very high94.2Very high0 Ų013 Ų130%07%0.072CC..Hα-helixtrans-60.4-44.7173.7-50.50000111.7Q528 A531 V532 V547 G554 K555 E561 A562Q528-T558 HydrophobicContact CB-CG2 4.34Å; Q528-T558 WeakPolarHBondContact CG-OG1 3.06Å; Q528-T558 PolarHBondContact NE2-OG1 3.21Å; A531-T558 HydrophobicContact CB-CG2 3.82Å; V532-T558 HydrophobicContact CG2-CG2 4.06Å; V547-T558 HydrophobicContact CG1-CG2 4.42Å; G554-T558 PolarHBondContact O-N 3.49Å; G554-T558 PolarHBondContact O-OG1 3.49Å; G554-T558 VanDerWaalsContact O-OG1 3.05Å; K555-T558 WeakPolarHBondContact O-CB 3.36Å; K555-T558 PolarHBondContact O-N 3.2Å; T558-E561 PolarHBondContact O-N 3.36Å; T558-A562 PolarHBondContact O-N 2.98Å
559L97.6Very high94.1Very high0 Ų015.9 Ų15.90%09%0.091CC..Hα-helixtrans-63.6-46176.4-70.8-163.2000112.1V547 K555 T556 E561 A562 I563 F667 D669 V702 A704V547-L559 HydrophobicContact CB-CD2 4.5Å; V547-L559 HydrophobicContact CG2-CD2 4.25Å; K555-L559 PolarHBondContact O-N 3.41Å; T556-L559 PolarHBondContact O-N 3.45Å; L559-E561 VanDerWaalsContact C-N 3.31Å; L559-E561 PolarHBondContact O-N 3.28Å; L559-A562 PolarHBondContact O-N 3.46Å; L559-I563 VanDerWaalsContact O-CG1 3.31Å; L559-I563 WeakPolarHBondContact O-CG1 3.4Å; L559-I563 PolarHBondContact O-N 3.48Å; L559-F667 HydrophobicContact CB-CD1 4.41Å; L559-F667 HydrophobicContact CD1-CD1 4.39Å; L559-F667 HydrophobicContact CD2-CD1 3.92Å; L559-F667 HydrophobicContact CD2-CE1 4.2Å; L559-F667 HydrophobicContact CG-CD1 4.47Å; L559-D669 HydrophobicContact CD1-CB 3.91Å; L559-V702 HydrophobicContact CD2-CG1 3.68Å; L559-A704 HydrophobicContact CD1-CB 3.47Å; L559-A704 VanDerWaalsContact CD1-CB 3.47Å; L559-A704 HydrophobicContact CD2-CB 4Å; L559-A704 HydrophobicContact CG-CB 3.78Å
560V97.4Very high94.2Very high4 Ų418.3 Ų18.32%0.02410%0.102CC..Hα-helixtrans-60-43.6178.4168.10000110.8T556 V557 I563 K564 L588 K591 I592T556-V560 HydrophobicContact CG2-CG2 4.41Å; T556-V560 WeakPolarHBondContact O-CB 3.23Å; T556-V560 WeakPolarHBondContact O-CG2 3.32Å; T556-V560 PolarHBondContact O-N 2.88Å; V557-V560 PolarHBondContact O-N 2.96Å; V560-I563 PolarHBondContact O-N 3.02Å; V560-K564 HydrophobicContact CG1-CD 4.05Å; V560-K564 VanDerWaalsContact CG1-CE 3.41Å; V560-K564 HydrophobicContact CG1-CG 4.47Å; V560-K564 VanDerWaalsContact O-CG 3.29Å; V560-K564 WeakPolarHBondContact O-CG 3.4Å; V560-K564 PolarHBondContact O-N 3.17Å; V560-L588 HydrophobicContact CG2-CD2 3.98Å; V560-K591 HydrophobicContact CB-CB 4.36Å; V560-K591 HydrophobicContact CG1-CB 3.88Å; V560-K591 HydrophobicContact CG2-CB 3.81Å; V560-I592 HydrophobicContact CB-CG1 4.48Å; V560-I592 HydrophobicContact CG1-CG1 3.99Å; V560-I592 HydrophobicContact CG2-CG1 4.15Å
561E97.5Very high94.2Very high3 Ų322.8 Ų22.81%0.01413%0.13CC..Hα-helixtrans-62.5-44.7176.5-176.159.7-148.700111.3L517 F518 D519 L522 V532 V557 T558 L559 I563 K564 Q565L517-E561 VanDerWaalsContact CA-OE1 3.23Å; L517-E561 WeakPolarHBondContact CA-OE1 3.2Å; L517-E561 HydrophobicContact CB-CG 4.29Å; L517-E561 WeakPolarHBondContact CB-OE1 3.49Å; L517-E561 HydrophobicContact CD1-CG 4.12Å; L517-E561 HydrophobicContact CD2-CG 3.93Å; L517-E561 HydrophobicContact CG-CG 4.33Å; F518-E561 WeakPolarHBondContact CD2-OE1 3.47Å; F518-E561 PolarHBondContact N-OE1 2.72Å; D519-E561 PolarHBondContact N-OE2 3.41Å; L522-E561 HydrophobicContact CD1-CB 3.55Å; L522-E561 HydrophobicContact CD1-CG 3.65Å; V532-E561 HydrophobicContact CG1-CG 4.36Å; V532-E561 HydrophobicContact CG2-CB 4.15Å; V532-E561 HydrophobicContact CG2-CG 4.03Å; V557-E561 WeakPolarHBondContact O-CB 3.24Å; V557-E561 PolarHBondContact O-N 3.27Å; T558-E561 PolarHBondContact O-N 3.36Å; L559-E561 VanDerWaalsContact C-N 3.31Å; L559-E561 PolarHBondContact O-N 3.28Å; E561-I563 VanDerWaalsContact C-N 3.33Å; E561-I563 PolarHBondContact O-N 3.38Å; E561-K564 PolarHBondContact O-N 2.96Å; E561-Q565 HydrophobicContact CG-CG 4.45Å; E561-Q565 WeakPolarHBondContact O-CG 3.2Å; E561-Q565 PolarHBondContact O-N 3.3Å; E561-Q565 PolarHBondContact OE1-NE2 2.61Å
562A97.8Very high94.3Very high0 Ų031.1 Ų31.10%017%0.166CC..Hα-helixtrans-59.6-42.5175.700000112.4V532 I535 T558 L559 Q565 I566 F667V532-A562 HydrophobicContact CG1-CB 4.46Å; V532-A562 HydrophobicContact CG2-CB 4.36Å; I535-A562 HydrophobicContact CB-CB 4.14Å; I535-A562 HydrophobicContact CD1-CB 3.96Å; I535-A562 HydrophobicContact CG2-CB 3.75Å; T558-A562 PolarHBondContact O-N 2.98Å; L559-A562 PolarHBondContact O-N 3.46Å; A562-Q565 PolarHBondContact O-N 3.19Å; A562-I566 WeakPolarHBondContact O-CD1 3.46Å; A562-I566 VanDerWaalsContact O-CG1 3.27Å; A562-I566 WeakPolarHBondContact O-CG1 3.47Å; A562-I566 PolarHBondContact O-N 2.92Å; A562-F667 HydrophobicContact CB-CE1 4.24Å; A562-F667 HydrophobicContact CB-CZ 4.42Å
563I97.9Very high94.6Very high0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-59.7-46.9175.1-70.9167.9000110.9L559 V560 E561 Q565 I566 E567 I575 A577 I592 I642 F667L559-I563 VanDerWaalsContact O-CG1 3.31Å; L559-I563 WeakPolarHBondContact O-CG1 3.4Å; L559-I563 PolarHBondContact O-N 3.48Å; V560-I563 PolarHBondContact O-N 3.02Å; E561-I563 VanDerWaalsContact C-N 3.33Å; E561-I563 PolarHBondContact O-N 3.38Å; I563-Q565 PolarHBondContact O-N 2.75Å; I563-I566 PolarHBondContact O-N 3.31Å; I563-E567 PolarHBondContact O-N 2.69Å; I563-I575 HydrophobicContact CG1-CG2 4.22Å; I563-I575 HydrophobicContact CG2-CD1 3.96Å; I563-I575 HydrophobicContact CG2-CG2 4.35Å; I563-A577 HydrophobicContact CD1-CB 4.11Å; I563-I592 HydrophobicContact CD1-CD1 3.96Å; I563-I592 HydrophobicContact CG2-CD1 4.11Å; I563-I592 HydrophobicContact CG2-CG1 4.24Å; I563-I592 HydrophobicContact CG2-CG2 4.49Å; I563-I642 HydrophobicContact CG2-CD1 3.7Å; I563-I642 HydrophobicContact CG2-CG1 4.41Å; I563-I642 HydrophobicContact CG2-CG2 4.38Å; I563-F667 HydrophobicContact CD1-CB 4.33Å; I563-F667 HydrophobicContact CD1-CD1 4.25Å; I563-F667 HydrophobicContact CD1-CD2 4.11Å; I563-F667 HydrophobicContact CD1-CG 3.97Å; I563-F667 HydrophobicContact CG1-CD1 4.1Å; I563-F667 HydrophobicContact CG1-CD2 3.76Å; I563-F667 HydrophobicContact CG1-CE1 4.02Å; I563-F667 HydrophobicContact CG1-CE2 3.67Å; I563-F667 HydrophobicContact CG1-CG 3.98Å; I563-F667 HydrophobicContact CG1-CZ 3.81Å
564K96.4Very high94.8Very high7 Ų732.8 Ų32.83%0.0317%0.17CC..Hα-helixtrans-61.9-42177.7-69.8169.4179.4170.80111.8F518 V560 E561 E567 K568 K591 H595 V596F518-K564 HydrophobicContact CB-CD 4.37Å; F518-K564 HydrophobicContact CD2-CB 3.6Å; F518-K564 HydrophobicContact CD2-CD 4.13Å; F518-K564 HydrophobicContact CD2-CG 4.43Å; F518-K564 HydrophobicContact CE2-CB 3.57Å; F518-K564 HydrophobicContact CG-CD 4.3Å; F518-K564 HydrophobicContact CZ-CB 4.41Å; V560-K564 HydrophobicContact CG1-CD 4.05Å; V560-K564 VanDerWaalsContact CG1-CE 3.41Å; V560-K564 HydrophobicContact CG1-CG 4.47Å; V560-K564 VanDerWaalsContact O-CG 3.29Å; V560-K564 WeakPolarHBondContact O-CG 3.4Å; V560-K564 PolarHBondContact O-N 3.17Å; E561-K564 PolarHBondContact O-N 2.96Å; K564-E567 PolarHBondContact O-N 2.68Å; K564-K568 VanDerWaalsContact O-CB 3.31Å; K564-K568 WeakPolarHBondContact O-CB 3.45Å; K564-K568 PolarHBondContact O-N 3.08Å; K564-K591 WeakPolarHBondContact CE-O 3.37Å; K564-K591 PolarHBondContact NZ-O 3.15Å; K564-H595 HydrophobicContact CD-CB 4.08Å; K564-H595 PolarHBondContact NZ-ND1 2.96Å; K564-V596 HydrophobicContact CG-CG2 3.93Å
565Q96.6Very high95Very high3 Ų331.8 Ų31.81%0.01416%0.16CC..Hα-helixtrans-67.4-40.9178.3-68.8-59-32.500112.1K516 L517 F518 V532 V536 E561 A562 I563 K568 T569K516-Q565 PolarHBondContact O-NE2 2.84Å; L517-Q565 HydrophobicContact CD2-CG 3.99Å; F518-Q565 VanDerWaalsContact CD2-NE2 3.33Å; V532-Q565 HydrophobicContact CG1-CB 4.42Å; V532-Q565 HydrophobicContact CG1-CG 3.99Å; V536-Q565 HydrophobicContact CG2-CB 3.65Å; E561-Q565 HydrophobicContact CG-CG 4.45Å; E561-Q565 WeakPolarHBondContact O-CG 3.2Å; E561-Q565 PolarHBondContact O-N 3.3Å; E561-Q565 PolarHBondContact OE1-NE2 2.61Å; A562-Q565 PolarHBondContact O-N 3.19Å; I563-Q565 PolarHBondContact O-N 2.75Å; Q565-K568 PolarHBondContact O-N 3.36Å; Q565-T569 WeakPolarHBondContact O-CB 3.48Å; Q565-T569 WeakPolarHBondContact O-CG2 3.43Å; Q565-T569 PolarHBondContact O-N 3.28Å; Q565-T569 PolarHBondContact O-OG1 2.81Å
566I96.6Very high95.2Very high0 Ų031.3 Ų31.30%016%0.158CC..Hα-helixtrans-61.3-48.7174.4-69.1162.1000110.1I535 V536 A562 I563 K568 T569 Q570 C573 I575 F667I535-I566 HydrophobicContact CG2-CD1 3.99Å; V536-I566 HydrophobicContact CG2-CG1 4.16Å; A562-I566 WeakPolarHBondContact O-CD1 3.46Å; A562-I566 VanDerWaalsContact O-CG1 3.27Å; A562-I566 WeakPolarHBondContact O-CG1 3.47Å; A562-I566 PolarHBondContact O-N 2.92Å; I563-I566 PolarHBondContact O-N 3.31Å; I566-K568 VanDerWaalsContact C-N 3.27Å; I566-K568 PolarHBondContact O-N 2.85Å; I566-T569 PolarHBondContact O-N 3.37Å; I566-Q570 HydrophobicContact CG2-CB 4.34Å; I566-Q570 HydrophobicContact CG2-CG 4.39Å; I566-Q570 WeakPolarHBondContact O-CA 3.46Å; I566-Q570 WeakPolarHBondContact O-CB 3.43Å; I566-Q570 PolarHBondContact O-N 2.98Å; I566-C573 HydrophobicContact CG2-CB 3.73Å; I566-I575 HydrophobicContact CB-CD1 4.08Å; I566-I575 HydrophobicContact CG2-CD1 3.78Å; I566-I575 HydrophobicContact CG2-CG1 4.37Å; I566-F667 HydrophobicContact CD1-CE2 3.98Å; I566-F667 HydrophobicContact CD1-CZ 3.67Å
567E95.6Very high95.4Very high18 Ų1830.3 Ų30.38%0.08415%0.152CC..Hα-helixtrans-58.8-39.5179.1-166.3-75.5142.800112.5I563 K564 V596 K600 R641 I642I563-E567 PolarHBondContact O-N 2.69Å; K564-E567 PolarHBondContact O-N 2.68Å; E567-V596 HydrophobicContact CG-CG1 4.45Å; E567-K600 WeakPolarHBondContact OE1-CD 3.36Å; E567-K600 WeakPolarHBondContact OE1-CE 3.12Å; E567-K600 IonicContact OE1-NZ 2.84Å; E567-K600 PolarHBondContact OE1-NZ 2.86Å; E567-K600 IonicContact OE2-NZ 3.18Å; E567-R641 WeakPolarHBondContact OE1-CD 3.47Å; E567-R641 IonicContact OE1-CZ 2.72Å; E567-R641 IonicContact OE1-NE 2.85Å; E567-R641 IonicContact OE1-NH1 3.79Å; E567-R641 PolarHBondContact OE1-NH1 3.37Å; E567-I642 HydrophobicContact CB-CD1 4.29Å; E567-I642 HydrophobicContact CG-CD1 4.14Å
568K94Very high95.5Very high116 Ų11628.5 Ų28.550%0.50414%0.141SC..Hα-helixtrans-70.9-40.6178.6-179.2-175.9178.7-178.50113F518 K564 Q565 I566F518-K568 HydrophobicContact CE2-CB 4.41Å; F518-K568 HydrophobicContact CE2-CD 3.92Å; F518-K568 HydrophobicContact CZ-CB 4.29Å; F518-K568 HydrophobicContact CZ-CD 3.73Å; F518-K568 HydrophobicContact CZ-CG 4.46Å; K564-K568 VanDerWaalsContact O-CB 3.31Å; K564-K568 WeakPolarHBondContact O-CB 3.45Å; K564-K568 PolarHBondContact O-N 3.08Å; Q565-K568 PolarHBondContact O-N 3.36Å; I566-K568 VanDerWaalsContact C-N 3.27Å; I566-K568 PolarHBondContact O-N 2.85Å
569T92.9Very high95.4Very high71 Ų7128.5 Ų28.544%0.43614%0.141SC..Hα-helixtrans-97.8-23.1-16958.50000113.7Q565 I566Q565-T569 WeakPolarHBondContact O-CB 3.48Å; Q565-T569 WeakPolarHBondContact O-CG2 3.43Å; Q565-T569 PolarHBondContact O-N 3.28Å; Q565-T569 PolarHBondContact O-OG1 2.81Å; I566-T569 PolarHBondContact O-N 3.37Å
570Q93Very high95.1Very high51 Ų5129.6 Ų29.624%0.23815%0.148CC..  trans-117.3103.8-174.2-55.7-176.815.700110.4V536 I566 F572 C573 H665V536-Q570 PolarHBondContact O-NE2 3.36Å; I566-Q570 HydrophobicContact CG2-CB 4.34Å; I566-Q570 HydrophobicContact CG2-CG 4.39Å; I566-Q570 WeakPolarHBondContact O-CA 3.46Å; I566-Q570 WeakPolarHBondContact O-CB 3.43Å; I566-Q570 PolarHBondContact O-N 2.98Å; Q570-F572 VanDerWaalsContact C-N 3.29Å; Q570-F572 PolarHBondContact O-N 2.79Å; Q570-C573 HydrophobicContact CB-CB 4.12Å; Q570-C573 PolarHBondContact O-N 2.94Å; Q570-C573 PolarHBondContact O-SG 2.77Å; Q570-H665 PolarHBondContact OE1-CE1 2.85Å
571T86.6Confident94.6Very high95 Ų9530.4 Ų30.458%0.58315%0.154SC*.THydrogen-bonded Turntrans-65.8-26.5-171.251.70000115R641T571-R641 PolarHBondContact O-NH2 2.84Å
572F87.6Confident94.2Very high180 Ų18030.2 Ų30.279%0.78915%0.153SC*.THydrogen-bonded Turntrans-104.417.5-176.9-59.9-73.8000113.1Q570Q570-F572 VanDerWaalsContact C-N 3.29Å; Q570-F572 PolarHBondContact O-N 2.79Å
573C93.6Very high93.7Very high3 Ų333 Ų332%0.0217%0.172CC..  trans-74.6137.5-179.971.60000111.8I566 Q570 I575 T664I566-C573 HydrophobicContact CG2-CB 3.73Å; Q570-C573 HydrophobicContact CB-CB 4.12Å; Q570-C573 PolarHBondContact O-N 2.94Å; Q570-C573 PolarHBondContact O-SG 2.77Å; C573-I575 HydrophobicContact CB-CG1 4.44Å; C573-T664 WeakPolarHBondContact CA-OG1 3.25Å
574H96.1Very high93.3Very high47 Ų4733.6 Ų33.622%0.21818%0.177CC..  trans-122.1128.9158.8-67-87.3000108.4M638 F640 R641 H662 F663 T664 H665H574-M638 PolarHBondContact CE1-O 3.34Å; H574-F640 PolarHBondContact ND1-O 2.82Å; H574-R641 WeakPolarHBondContact CA-O 3.31Å; H574-H662 VanDerWaalsContact CB-O 3.31Å; H574-H662 WeakPolarHBondContact CB-O 3.06Å; H574-H662 AromaticContact CD2-CE1 3.76Å; H574-H662 AromaticContact CE1-CE1 3.52Å; H574-H662 AromaticContact CG-CE1 3.57Å; H574-H662 AromaticContact CG-NE2 3.86Å; H574-H662 AromaticContact ND1-CE1 3.41Å; H574-H662 PolarHBondContact ND1-CE1 2.82Å; H574-H662 AromaticContact ND1-NE2 3.65Å; H574-H662 AromaticContact NE2-CE1 3.73Å; H574-F663 HydrophobicContact CB-CD1 4.24Å; H574-F663 CarbonylContact O-C 3.58Å; H574-T664 PolarHBondContact N-OG1 3.16Å; H574-T664 PolarHBondContact O-N 2.67Å; H574-T664 PolarHBondContact O-OG1 2.85Å; H574-H665 PolarHBondContact O-N 3.49Å
575I97.9Very high93.2Very high0 Ų033.2 Ų33.20%018%0.176CC..EExtended strand (participates in β ladder)trans-119.7125.1-169.5-54.7178.4000109I563 I566 C573 R641 I642 I643 H665 F667I563-I575 HydrophobicContact CG1-CG2 4.22Å; I563-I575 HydrophobicContact CG2-CD1 3.96Å; I563-I575 HydrophobicContact CG2-CG2 4.35Å; I566-I575 HydrophobicContact CB-CD1 4.08Å; I566-I575 HydrophobicContact CG2-CD1 3.78Å; I566-I575 HydrophobicContact CG2-CG1 4.37Å; C573-I575 HydrophobicContact CB-CG1 4.44Å; I575-R641 PolarHBondContact N-O 3.05Å; I575-I642 HydrophobicContact CB-CG1 4.27Å; I575-I642 HydrophobicContact CD1-CG1 4.27Å; I575-I642 WeakPolarHBondContact O-CA 3.49Å; I575-I643 PolarHBondContact O-N 3.39Å; I575-H665 WeakPolarHBondContact CA-O 3.35Å; I575-H665 HydrophobicContact CG1-CB 4.37Å; I575-F667 HydrophobicContact CG2-CD2 3.72Å; I575-F667 HydrophobicContact CG2-CE2 3.96Å
576L98Very high93.1Very high0 Ų033.7 Ų33.70%018%0.178CC..EExtended strand (participates in β ladder)trans-104.9111.9168.818061000109I643 T645 A650 F653 F663 H665 I666 F667 P682 L693L576-I643 HydrophobicContact CD1-CB 4.33Å; L576-I643 HydrophobicContact CD1-CG2 4.3Å; L576-T645 HydrophobicContact CD1-CG2 3.98Å; L576-A650 HydrophobicContact CD2-CB 4.29Å; L576-F653 HydrophobicContact CD1-CD2 4.16Å; L576-F653 HydrophobicContact CD1-CE2 3.71Å; L576-F663 HydrophobicContact CB-CB 4.25Å; L576-F663 HydrophobicContact CB-CD1 3.62Å; L576-F663 HydrophobicContact CB-CD2 4.21Å; L576-F663 HydrophobicContact CB-CE1 3.93Å; L576-F663 HydrophobicContact CB-CE2 4.48Å; L576-F663 HydrophobicContact CB-CG 3.76Å; L576-F663 HydrophobicContact CB-CZ 4.34Å; L576-F663 HydrophobicContact CD1-CE1 4.48Å; L576-F663 HydrophobicContact CD1-CZ 4.34Å; L576-F663 HydrophobicContact CD2-CD2 4.11Å; L576-F663 HydrophobicContact CD2-CE2 4.15Å; L576-F663 HydrophobicContact CD2-CG 4.47Å; L576-H665 PolarHBondContact N-O 3.06Å; L576-I666 HydrophobicContact CB-CG1 4.25Å; L576-I666 HydrophobicContact CD2-CD1 4.36Å; L576-I666 CarbonylContact O-C 3.53Å; L576-I666 WeakPolarHBondContact O-CA 3.12Å; L576-F667 PolarHBondContact O-N 3.16Å; L576-P682 HydrophobicContact CD2-CB 3.78Å; L576-L693 HydrophobicContact CD2-CD1 4.49Å
577A98.1Very high92.9Very high0 Ų037.2 Ų37.20%020%0.196CC..EExtended strand (participates in β ladder)trans-102.3117.6175.900000110.1I563 I643 V644 T645 F667I563-A577 HydrophobicContact CD1-CB 4.11Å; A577-I643 PolarHBondContact N-O 2.83Å; A577-V644 HydrophobicContact CB-CG1 4.44Å; A577-V644 HydrophobicContact CB-CG2 4.25Å; A577-V644 CarbonylContact O-C 3.59Å; A577-V644 VanDerWaalsContact O-CA 3.3Å; A577-V644 WeakPolarHBondContact O-CA 3.46Å; A577-T645 PolarHBondContact O-N 3.11Å; A577-F667 HydrophobicContact CB-CB 4.49Å
578C97.4Very high92.8Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-117.5153.4-176.3-67.30000112.4T645 L647 F667 V668 D669C578-T645 VanDerWaalsContact CA-O 3.27Å; C578-T645 WeakPolarHBondContact CA-O 3.33Å; C578-L647 HydrophobicContact CB-CD2 3.73Å; C578-L647 HydrophobicContact CB-CG 4.3Å; C578-F667 PolarHBondContact N-O 3.04Å; C578-V668 HydrophobicContact CB-CG2 4.45Å; C578-V668 WeakPolarHBondContact O-CA 3.31Å; C578-D669 PolarHBondContact O-N 3.17Å
579A94.9Very high92.9Very high0 Ų030.9 Ų30.90%017%0.169CC..EExtended strand (participates in β ladder)trans-144.8159.9165.900000110S581 A584 A585 L588 T645 T646 L647A579-S581 VanDerWaalsContact C-N 3.33Å; A579-A584 HydrophobicContact CB-CB 3.59Å; A579-A585 HydrophobicContact CB-CB 4.26Å; A579-L588 HydrophobicContact CB-CD1 4.36Å; A579-T645 PolarHBondContact N-O 2.92Å; A579-T646 CarbonylContact O-C 3.6Å; A579-T646 WeakPolarHBondContact O-CA 3.49Å; A579-L647 PolarHBondContact O-N 3.48Å
580P91.1Very high93Very high24 Ų2428.8 Ų28.816%0.15616%0.157CC..SBendtrans-70.9-24.8175.925.4-32.4000113.6L647 D669 E670 H673 A674P580-L647 HydrophobicContact CB-CD1 4.28Å; P580-D669 WeakPolarHBondContact CD-O 3.24Å; P580-E670 HydrophobicContact CG-CB 3.97Å; P580-H673 HydrophobicContact CG-CB 4.23Å; P580-A674 HydrophobicContact CB-CB 4.31Å
581S87.3Confident93.1Very high20 Ų2029 Ų2914%0.1416%0.157CC..SBendtrans-118.5155.4-178.469.90000112.7A579 S583 A584 A585 D1020A579-S581 VanDerWaalsContact C-N 3.33Å; S581-S583 VanDerWaalsContact C-N 3.34Å; S581-S583 PolarHBondContact OG-OG 3.33Å; S581-A584 VanDerWaalsContact OG-CB 3.32Å; S581-A584 WeakPolarHBondContact OG-CB 3.3Å; S581-A584 PolarHBondContact OG-N 2.78Å; S581-A585 PolarHBondContact O-N 3.47Å; S581-A585 VanDerWaalsContact O-N 3.15Å; S581-D1020 WeakPolarHBondContact CB-OD2 3.25Å
582N88.7Confident93.5Very high0 Ų024.5 Ų24.50%013%0.13CC..Hα-helixtrans-67.3-39175-77.8-61000110.7A584 A585 D586 R603 T646 D1020N582-A584 VanDerWaalsContact C-N 3.3Å; N582-A584 PolarHBondContact O-N 2.92Å; N582-A585 CarbonylContact O-C 3.51Å; N582-A585 PolarHBondContact O-N 3.46Å; N582-A585 VanDerWaalsContact O-N 3.15Å; N582-D586 VanDerWaalsContact O-CB 3.31Å; N582-D586 WeakPolarHBondContact O-CB 3.37Å; N582-D586 PolarHBondContact O-N 3.02Å; N582-D586 VanDerWaalsContact O-OD1 3.1Å; N582-R603 PolarHBondContact OD1-NH2 3.22Å; N582-T646 WeakPolarHBondContact OD1-CG2 3.35Å; N582-D1020 HydrophobicContact CB-CB 4.36Å; N582-D1020 PolarHBondContact N-OD2 3.02Å; N582-D1020 WeakPolarHBondContact ND2-CA 3.41Å; N582-D1020 WeakPolarHBondContact ND2-CB 3.2Å; N582-D1020 PolarHBondContact ND2-O 2.92Å; N582-D1020 PolarHBondContact ND2-OD1 3.44Å
583S86.9Confident93.8Very high58 Ų5818.7 Ų18.741%0.40610%0.102SC..Hα-helixtrans-57.8-41.2179.653.20000112.7S581 L587S581-S583 VanDerWaalsContact C-N 3.34Å; S581-S583 PolarHBondContact OG-OG 3.33Å; S583-L587 WeakPolarHBondContact O-CB 3.2Å; S583-L587 PolarHBondContact O-N 3.24Å; S583-L587 VanDerWaalsContact O-N 3.09Å
584A89.8Confident93.8Very high12 Ų1223.9 Ų23.910%0.09913%0.126CC..Hα-helixtrans-70.4-42.1175.100000112.1A579 S581 N582 D586 L587 L588 E670A579-A584 HydrophobicContact CB-CB 3.59Å; S581-A584 VanDerWaalsContact OG-CB 3.32Å; S581-A584 WeakPolarHBondContact OG-CB 3.3Å; S581-A584 PolarHBondContact OG-N 2.78Å; N582-A584 VanDerWaalsContact C-N 3.3Å; N582-A584 PolarHBondContact O-N 2.92Å; A584-D586 VanDerWaalsContact C-N 3.33Å; A584-D586 PolarHBondContact O-N 2.86Å; A584-L587 PolarHBondContact O-N 2.63Å; A584-L588 WeakPolarHBondContact O-CG 3.14Å; A584-L588 PolarHBondContact O-N 3.36Å; A584-E670 HydrophobicContact CB-CG 4.39Å
585A94.1Very high93.6Very high0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-63.3-37.2175.300000112.6A579 S581 N582 L588 C589 V644A579-A585 HydrophobicContact CB-CB 4.26Å; S581-A585 PolarHBondContact O-N 3.47Å; S581-A585 VanDerWaalsContact O-N 3.15Å; N582-A585 CarbonylContact O-C 3.51Å; N582-A585 PolarHBondContact O-N 3.46Å; N582-A585 VanDerWaalsContact O-N 3.15Å; A585-L588 PolarHBondContact O-N 2.56Å; A585-C589 WeakPolarHBondContact O-CB 3.49Å; A585-C589 PolarHBondContact O-N 2.78Å; A585-V644 HydrophobicContact CB-CG1 4.25Å; A585-V644 WeakPolarHBondContact O-CG1 3.39Å
586D94Very high93.3Very high12 Ų1226.3 Ų26.36%0.06414%0.138CC..Hα-helixtrans-68.9-39.1177.8-64-7.6000110.6N582 A584 C589 S590 R603 Y605 P615 L618N582-D586 VanDerWaalsContact O-CB 3.31Å; N582-D586 WeakPolarHBondContact O-CB 3.37Å; N582-D586 PolarHBondContact O-N 3.02Å; N582-D586 VanDerWaalsContact O-OD1 3.1Å; A584-D586 VanDerWaalsContact C-N 3.33Å; A584-D586 PolarHBondContact O-N 2.86Å; D586-C589 PolarHBondContact O-N 3.28Å; D586-S590 VanDerWaalsContact O-CB 3.29Å; D586-S590 WeakPolarHBondContact O-CB 3.19Å; D586-S590 PolarHBondContact O-N 2.88Å; D586-S590 PolarHBondContact O-OG 2.86Å; D586-R603 IonicContact OD1-CZ 3.78Å; D586-R603 IonicContact OD1-NE 3.16Å; D586-R603 PolarHBondContact OD1-NE 3.05Å; D586-R603 IonicContact OD1-NH2 2.62Å; D586-R603 PolarHBondContact OD1-NH2 3.42Å; D586-Y605 VanDerWaalsContact OD1-CE1 3.24Å; D586-Y605 WeakPolarHBondContact OD1-CE1 3.41Å; D586-Y605 PolarHBondContact OD1-OH 2.88Å; D586-P615 HydrophobicContact CB-CG 4.44Å; D586-L618 HydrophobicContact CB-CD1 3.7Å
587L92.8Very high92.8Very high74 Ų7430.4 Ų30.439%0.38716%0.16SC..Hα-helixtrans-63-45.9173.7-179.462.4000111.7T556 S583 A584 S590 K591T556-L587 HydrophobicContact CG2-CD2 4.05Å; T556-L587 HydrophobicContact CG2-CG 4.16Å; S583-L587 WeakPolarHBondContact O-CB 3.2Å; S583-L587 PolarHBondContact O-N 3.24Å; S583-L587 VanDerWaalsContact O-N 3.09Å; A584-L587 PolarHBondContact O-N 2.63Å; L587-S590 PolarHBondContact O-N 3.42Å; L587-K591 HydrophobicContact CD1-CD 4.11Å; L587-K591 HydrophobicContact CD1-CG 4.23Å; L587-K591 HydrophobicContact CG-CD 4.45Å; L587-K591 WeakPolarHBondContact O-CB 3.44Å; L587-K591 WeakPolarHBondContact O-CG 3.49Å; L587-K591 PolarHBondContact O-N 2.9Å
588L94.8Very high92.1Very high2 Ų234.2 Ų34.21%0.0118%0.178CC..Hα-helixtrans-56-53.7173.8-75.8171.2000110.7T556 V560 A579 A584 A585 S590 K591 I592 V644 D669T556-L588 HydrophobicContact CG2-CD2 3.78Å; T556-L588 HydrophobicContact CG2-CG 4.36Å; V560-L588 HydrophobicContact CG2-CD2 3.98Å; A579-L588 HydrophobicContact CB-CD1 4.36Å; A584-L588 WeakPolarHBondContact O-CG 3.14Å; A584-L588 PolarHBondContact O-N 3.36Å; A585-L588 PolarHBondContact O-N 2.56Å; L588-S590 PolarHBondContact O-N 3.38Å; L588-K591 PolarHBondContact O-N 2.93Å; L588-I592 WeakPolarHBondContact O-CD1 3.08Å; L588-I592 WeakPolarHBondContact O-CG1 3.09Å; L588-I592 PolarHBondContact O-N 3.38Å; L588-V644 HydrophobicContact CB-CG1 4.14Å; L588-D669 HydrophobicContact CD1-CB 3.85Å; L588-D669 HydrophobicContact CD2-CB 4.27Å; L588-D669 HydrophobicContact CG-CB 4.36Å
589C96.3Very high91.7Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-59.5-46.4-178.1-173.10000111.9A585 D586 K591 I592 R593 L618 V644A585-C589 WeakPolarHBondContact O-CB 3.49Å; A585-C589 PolarHBondContact O-N 2.78Å; D586-C589 PolarHBondContact O-N 3.28Å; C589-K591 PolarHBondContact O-N 3.23Å; C589-I592 PolarHBondContact O-N 3.11Å; C589-R593 WeakPolarHBondContact O-CG 3.18Å; C589-R593 PolarHBondContact O-N 2.99Å; C589-R593 VanDerWaalsContact O-N 3.08Å; C589-L618 HydrophobicContact CB-CD1 4.49Å; C589-L618 HydrophobicContact CB-CD2 4.29Å; C589-V644 HydrophobicContact CB-CB 4.05Å; C589-V644 HydrophobicContact CB-CG1 3.98Å; C589-V644 HydrophobicContact CB-CG2 4.02Å
590S95.1Very high91.6Very high27 Ų2744.8 Ų44.819%0.18923%0.226CC..Hα-helixtrans-57.7-47.3179-57.20000111.7D586 L587 L588 R593 E594 H617D586-S590 VanDerWaalsContact O-CB 3.29Å; D586-S590 WeakPolarHBondContact O-CB 3.19Å; D586-S590 PolarHBondContact O-N 2.88Å; D586-S590 PolarHBondContact O-OG 2.86Å; L587-S590 PolarHBondContact O-N 3.42Å; L588-S590 PolarHBondContact O-N 3.38Å; S590-R593 PolarHBondContact O-N 2.9Å; S590-E594 PolarHBondContact O-N 3.37Å; S590-H617 PolarHBondContact OG-NE2 3.25Å
591K94.6Very high91.8Very high56 Ų5643.6 Ų43.624%0.24322%0.218CC..Hα-helixtrans-73.6-30.7-177.2-72-169.8158.4-65.80113.7V557 V560 K564 L587 L588 C589V557-K591 HydrophobicContact CG2-CD 4.28Å; V560-K591 HydrophobicContact CB-CB 4.36Å; V560-K591 HydrophobicContact CG1-CB 3.88Å; V560-K591 HydrophobicContact CG2-CB 3.81Å; K564-K591 WeakPolarHBondContact CE-O 3.37Å; K564-K591 PolarHBondContact NZ-O 3.15Å; L587-K591 HydrophobicContact CD1-CD 4.11Å; L587-K591 HydrophobicContact CD1-CG 4.23Å; L587-K591 HydrophobicContact CG-CD 4.45Å; L587-K591 WeakPolarHBondContact O-CB 3.44Å; L587-K591 WeakPolarHBondContact O-CG 3.49Å; L587-K591 PolarHBondContact O-N 2.9Å; L588-K591 PolarHBondContact O-N 2.93Å; C589-K591 PolarHBondContact O-N 3.23Å
592I95.3Very high92.3Very high0 Ų043.7 Ų43.70%022%0.216CC..Hα-helixtrans-64.7-46.8173.5-68.3162.6000109.4V560 I563 L588 C589 E594 H595 V596 V601 I642 V644V560-I592 HydrophobicContact CB-CG1 4.48Å; V560-I592 HydrophobicContact CG1-CG1 3.99Å; V560-I592 HydrophobicContact CG2-CG1 4.15Å; I563-I592 HydrophobicContact CD1-CD1 3.96Å; I563-I592 HydrophobicContact CG2-CD1 4.11Å; I563-I592 HydrophobicContact CG2-CG1 4.24Å; I563-I592 HydrophobicContact CG2-CG2 4.49Å; L588-I592 WeakPolarHBondContact O-CD1 3.08Å; L588-I592 WeakPolarHBondContact O-CG1 3.09Å; L588-I592 PolarHBondContact O-N 3.38Å; C589-I592 PolarHBondContact O-N 3.11Å; I592-E594 PolarHBondContact O-N 3.44Å; I592-E594 VanDerWaalsContact O-N 3.16Å; I592-H595 PolarHBondContact O-N 2.79Å; I592-V596 HydrophobicContact CG2-CB 4.14Å; I592-V596 HydrophobicContact CG2-CG2 3.9Å; I592-V596 WeakPolarHBondContact O-CG2 3.48Å; I592-V596 PolarHBondContact O-N 2.62Å; I592-V601 HydrophobicContact CG2-CG1 4.32Å; I592-V601 HydrophobicContact CG2-CG2 3.88Å; I592-I642 HydrophobicContact CD1-CG2 4.28Å; I592-I642 HydrophobicContact CG2-CD1 3.84Å; I592-V644 HydrophobicContact CD1-CG2 4.15Å
593R93.9Very high92.7Very high57 Ų5743.7 Ų43.722%0.21522%0.216CC..Hα-helixtrans-64-17.4-178.4-75.5-172.463.6-170.3-4115.4C589 S590 H595 E598 V601 H617 C621C589-R593 WeakPolarHBondContact O-CG 3.18Å; C589-R593 PolarHBondContact O-N 2.99Å; C589-R593 VanDerWaalsContact O-N 3.08Å; S590-R593 PolarHBondContact O-N 2.9Å; R593-H595 PolarHBondContact O-N 2.9Å; R593-E598 IonicContact CZ-OE1 2.72Å; R593-E598 VanDerWaalsContact CZ-OE1 3.28Å; R593-E598 IonicContact CZ-OE2 3.78Å; R593-E598 IonicContact NH1-OE1 2.78Å; R593-E598 IonicContact NH2-OE1 3.98Å; R593-E598 PolarHBondContact NH2-OE1 3.36Å; R593-E598 IonicContact NH2-OE2 3.92Å; R593-E598 PolarHBondContact NH2-OE2 3.36Å; R593-V601 HydrophobicContact CG-CB 4.25Å; R593-V601 HydrophobicContact CG-CG1 4.13Å; R593-H617 PolarHBondContact NH1-O 3.39Å; R593-C621 VanDerWaalsContact CD-SG 3.53Å; R593-C621 PolarHBondContact NH1-SG 3.34Å
594E92.7Very high93.1Very high113 Ų11341 Ų4153%0.52820%0.197SC..THydrogen-bonded Turntrans-58.3-27.3174.4-69169.9-174.500112.5S590 I592S590-E594 PolarHBondContact O-N 3.37Å; I592-E594 PolarHBondContact O-N 3.44Å; I592-E594 VanDerWaalsContact O-N 3.16Å
595H92.2Very high93.2Very high88 Ų8840.4 Ų40.441%0.40719%0.192SC..THydrogen-bonded Turntrans-136.6-2.8-173.8-55.977.3000114.5F518 K564 I592 R593F518-H595 HydrophobicContact CD1-CB 3.82Å; F518-H595 AromaticContact CD1-CD2 3.86Å; F518-H595 HydrophobicContact CE1-CB 4.18Å; F518-H595 HydrophobicContact CG-CB 4.31Å; K564-H595 HydrophobicContact CD-CB 4.08Å; K564-H595 PolarHBondContact NZ-ND1 2.96Å; I592-H595 PolarHBondContact O-N 2.79Å; R593-H595 PolarHBondContact O-N 2.9Å
596V91Very high92.8Very high9 Ų940.4 Ų40.46%0.05519%0.192CC..SBendtrans-113.6138.4178.1-174.60000108.9K564 E567 I592 E598 K600 V601 I642K564-V596 HydrophobicContact CG-CG2 3.93Å; E567-V596 HydrophobicContact CG-CG1 4.45Å; I592-V596 HydrophobicContact CG2-CB 4.14Å; I592-V596 HydrophobicContact CG2-CG2 3.9Å; I592-V596 WeakPolarHBondContact O-CG2 3.48Å; I592-V596 PolarHBondContact O-N 2.62Å; V596-E598 PolarHBondContact O-N 2.87Å; V596-K600 HydrophobicContact CG1-CB 4.1Å; V596-K600 HydrophobicContact CG1-CD 4.22Å; V596-V601 HydrophobicContact CB-CG2 4.01Å; V596-V601 HydrophobicContact CG1-CG2 3.66Å; V596-I642 HydrophobicContact CG1-CD1 4.15Å; V596-I642 HydrophobicContact CG2-CD1 4.45Å
597D88.6Confident92.2Very high87 Ų8741.3 Ų41.347%0.46520%0.199SC..  trans-53.4134.8177.1-166.1-58.1000111.5H599 K600D597-H599 PolarHBondContact O-N 3.45Å; D597-H599 WeakPolarHBondContact OD1-CB 3.45Å; D597-H599 IonicContact OD1-CE1 2.66Å; D597-H599 IonicContact OD1-CG 3.85Å; D597-H599 PolarHBondContact OD1-N 3.32Å; D597-H599 IonicContact OD1-ND1 2.98Å; D597-H599 PolarHBondContact OD1-ND1 2.87Å; D597-K600 HydrophobicContact CB-CD 4.09Å; D597-K600 HydrophobicContact CB-CG 4.2Å; D597-K600 WeakPolarHBondContact O-CB 3.42Å; D597-K600 PolarHBondContact O-N 3.44Å
598E83.9Confident91.5Very high80 Ų8039.1 Ų39.137%0.37419%0.19SC..G310 helixtrans-59.2-33.3-178.8-178.9165.9-159.900112.7R593 V596 K600 V601 C621R593-E598 IonicContact CZ-OE1 2.72Å; R593-E598 VanDerWaalsContact CZ-OE1 3.28Å; R593-E598 IonicContact CZ-OE2 3.78Å; R593-E598 IonicContact NH1-OE1 2.78Å; R593-E598 IonicContact NH2-OE1 3.98Å; R593-E598 PolarHBondContact NH2-OE1 3.36Å; R593-E598 IonicContact NH2-OE2 3.92Å; R593-E598 PolarHBondContact NH2-OE2 3.36Å; V596-E598 PolarHBondContact O-N 2.87Å; E598-K600 PolarHBondContact O-N 2.68Å; E598-V601 PolarHBondContact O-N 3.45Å; E598-V601 VanDerWaalsContact O-O 3.1Å; E598-C621 HydrophobicContact CG-CB 3.94Å
599H87.9Confident91Very high154 Ų15440.1 Ų40.171%0.71319%0.194SC*.G310 helixtrans-69.8-13.6179.3-54.987.8000112.9D597 F640D597-H599 PolarHBondContact O-N 3.45Å; D597-H599 WeakPolarHBondContact OD1-CB 3.45Å; D597-H599 IonicContact OD1-CE1 2.66Å; D597-H599 IonicContact OD1-CG 3.85Å; D597-H599 PolarHBondContact OD1-N 3.32Å; D597-H599 IonicContact OD1-ND1 2.98Å; D597-H599 PolarHBondContact OD1-ND1 2.87Å; H599-F640 WeakPolarHBondContact O-CD1 3.18Å
600K93Very high90.2Very high67 Ų6743.4 Ų43.429%0.29121%0.212SC..G310 helixtrans-94.4-14.5178.5-64.9177.9176.2-176.80113.3E567 V596 D597 E598 R641 I642E567-K600 WeakPolarHBondContact OE1-CD 3.36Å; E567-K600 WeakPolarHBondContact OE1-CE 3.12Å; E567-K600 IonicContact OE1-NZ 2.84Å; E567-K600 PolarHBondContact OE1-NZ 2.86Å; E567-K600 IonicContact OE2-NZ 3.18Å; V596-K600 HydrophobicContact CG1-CB 4.1Å; V596-K600 HydrophobicContact CG1-CD 4.22Å; D597-K600 HydrophobicContact CB-CD 4.09Å; D597-K600 HydrophobicContact CB-CG 4.2Å; D597-K600 WeakPolarHBondContact O-CB 3.42Å; D597-K600 PolarHBondContact O-N 3.44Å; E598-K600 PolarHBondContact O-N 2.68Å; K600-R641 HydrophobicContact CB-CB 4.36Å; K600-R641 PolarHBondContact O-N 3.27Å; K600-R641 VanDerWaalsContact O-N 3.1Å; K600-I642 PolarHBondContact O-N 3.47Å
601V95.8Very high89.7Confident0 Ų042.7 Ų42.70%021%0.206CC..EExtended strand (participates in β ladder)trans-119.7125.3-170.2-173.70000110.2I592 R593 V596 E598 I642 V644I592-V601 HydrophobicContact CG2-CG1 4.32Å; I592-V601 HydrophobicContact CG2-CG2 3.88Å; R593-V601 HydrophobicContact CG-CB 4.25Å; R593-V601 HydrophobicContact CG-CG1 4.13Å; V596-V601 HydrophobicContact CB-CG2 4.01Å; V596-V601 HydrophobicContact CG1-CG2 3.66Å; E598-V601 PolarHBondContact O-N 3.45Å; E598-V601 VanDerWaalsContact O-O 3.1Å; V601-I642 CarbonylContact C-O 3.28Å; V601-I642 WeakPolarHBondContact CA-O 3.3Å; V601-I642 HydrophobicContact CG1-CG2 4.47Å; V601-I642 HydrophobicContact CG2-CB 4.28Å; V601-I642 HydrophobicContact CG2-CD1 4.25Å; V601-V644 HydrophobicContact CG1-CG2 4.33Å
602Y96.9Very high89.1Confident21 Ų2148.5 Ų48.58%0.08223%0.231CC..EExtended strand (participates in β ladder)trans-129.5131.3179.9-162.9-118.1000113.1V604 C621 N623 P632 L637 F640 I642 I643 V644Y602-V604 HydrophobicContact CD1-CG2 3.58Å; Y602-V604 HydrophobicContact CE1-CG2 3.82Å; Y602-C621 WeakPolarHBondContact CA-O 3.49Å; Y602-C621 VanDerWaalsContact CD2-O 3.3Å; Y602-C621 WeakPolarHBondContact CD2-O 3.34Å; Y602-N623 HydrophobicContact CE1-CB 4.25Å; Y602-N623 WeakPolarHBondContact OH-CA 3.3Å; Y602-N623 WeakPolarHBondContact OH-CB 3.13Å; Y602-N623 PolarHBondContact OH-N 3.05Å; Y602-P632 HydrophobicContact CE1-CG 3.77Å; Y602-P632 VanDerWaalsContact OH-CG 3.3Å; Y602-P632 WeakPolarHBondContact OH-CG 3.44Å; Y602-L637 HydrophobicContact CD1-CD2 3.97Å; Y602-L637 HydrophobicContact CE1-CD2 3.98Å; Y602-F640 HydrophobicContact CD1-CD2 4.23Å; Y602-F640 HydrophobicContact CD1-CE2 4.02Å; Y602-F640 AromaticContact CD2-CE1 3.97Å; Y602-F640 HydrophobicContact CD2-CE1 3.97Å; Y602-F640 AromaticContact CD2-CE2 3.92Å; Y602-F640 HydrophobicContact CD2-CE2 3.92Å; Y602-F640 AromaticContact CD2-CZ 3.59Å; Y602-F640 HydrophobicContact CD2-CZ 3.59Å; Y602-F640 HydrophobicContact CE1-CE2 4.49Å; Y602-F640 HydrophobicContact CE2-CE2 4.42Å; Y602-F640 HydrophobicContact CE2-CZ 4.14Å; Y602-F640 HydrophobicContact CG-CD1 4.38Å; Y602-F640 AromaticContact CG-CD2 3.94Å; Y602-F640 HydrophobicContact CG-CD2 3.94Å; Y602-F640 HydrophobicContact CG-CE1 4.16Å; Y602-F640 AromaticContact CG-CE2 3.7Å; Y602-F640 HydrophobicContact CG-CE2 3.7Å; Y602-F640 HydrophobicContact CG-CG 4.28Å; Y602-F640 AromaticContact CG-CZ 3.81Å; Y602-F640 HydrophobicContact CG-CZ 3.81Å; Y602-I642 PolarHBondContact N-O 2.85Å; Y602-I643 CarbonylContact O-C 3.34Å; Y602-I643 WeakPolarHBondContact O-CA 3.24Å; Y602-V644 PolarHBondContact O-N 3.12Å
603R96.6Very high88.6Confident0 Ų053.1 Ų53.10%026%0.255CS..EExtended strand (participates in β ladder)trans-102.1115.2179.7179.466-178.887.42.8110.8N582 D586 Y605 C621 S622 N623 V644N582-R603 PolarHBondContact OD1-NH2 3.22Å; D586-R603 IonicContact OD1-CZ 3.78Å; D586-R603 IonicContact OD1-NE 3.16Å; D586-R603 PolarHBondContact OD1-NE 3.05Å; D586-R603 IonicContact OD1-NH2 2.62Å; D586-R603 PolarHBondContact OD1-NH2 3.42Å; R603-Y605 HydrophobicContact CB-CE2 4.39Å; R603-Y605 HydrophobicContact CG-CD2 4.05Å; R603-Y605 HydrophobicContact CG-CE1 4.36Å; R603-Y605 HydrophobicContact CG-CE2 3.43Å; R603-Y605 VanDerWaalsContact CG-CE2 3.43Å; R603-Y605 VanDerWaalsContact CZ-CE1 3.44Å; R603-C621 PolarHBondContact N-O 2.82Å; R603-S622 WeakPolarHBondContact O-CA 3.24Å; R603-S622 WeakPolarHBondContact O-CB 3.46Å; R603-N623 PolarHBondContact O-N 3.2Å; R603-N623 VanDerWaalsContact O-N 3.16Å; R603-N623 PolarHBondContact O-OD1 2.98Å; R603-V644 WeakPolarHBondContact CA-O 3.32Å; R603-V644 WeakPolarHBondContact CD-O 3.49Å
604V95.5Very high88.4Confident2 Ų250.6 Ų50.61%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-104.4105.2-178.6-174.50000111.1Y602 F631 L637 I643 V644 T645 T649 F653Y602-V604 HydrophobicContact CD1-CG2 3.58Å; Y602-V604 HydrophobicContact CE1-CG2 3.82Å; V604-F631 HydrophobicContact CG1-CD1 4.12Å; V604-F631 HydrophobicContact CG1-CE1 3.82Å; V604-L637 HydrophobicContact CG2-CD2 4.42Å; V604-I643 HydrophobicContact CG2-CG2 3.93Å; V604-V644 PolarHBondContact N-O 3.02Å; V604-T645 PolarHBondContact O-OG1 2.6Å; V604-T649 HydrophobicContact CB-CG2 4.48Å; V604-T649 HydrophobicContact CG1-CG2 3.82Å; V604-F653 HydrophobicContact CB-CZ 4.34Å; V604-F653 HydrophobicContact CG2-CE1 4.38Å; V604-F653 HydrophobicContact CG2-CZ 4.02Å
605Y92.9Very high88.3Confident0 Ų047 Ų470%023%0.233CC..  trans-85.5159.6171.9-64.2-82.6000112.3D586 R603 R609 V614 N623 Y629 F631D586-Y605 VanDerWaalsContact OD1-CE1 3.24Å; D586-Y605 WeakPolarHBondContact OD1-CE1 3.41Å; D586-Y605 PolarHBondContact OD1-OH 2.88Å; R603-Y605 HydrophobicContact CB-CE2 4.39Å; R603-Y605 HydrophobicContact CG-CD2 4.05Å; R603-Y605 HydrophobicContact CG-CE1 4.36Å; R603-Y605 HydrophobicContact CG-CE2 3.43Å; R603-Y605 VanDerWaalsContact CG-CE2 3.43Å; R603-Y605 VanDerWaalsContact CZ-CE1 3.44Å; Y605-R609 HydrophobicContact CD1-CG 4.22Å; Y605-V614 HydrophobicContact CD1-CG2 4.36Å; Y605-V614 HydrophobicContact CD2-CG2 4.46Å; Y605-V614 HydrophobicContact CE1-CG2 4.16Å; Y605-V614 HydrophobicContact CE2-CG1 3.73Å; Y605-V614 HydrophobicContact CE2-CG2 4.27Å; Y605-N623 WeakPolarHBondContact CB-OD1 3.26Å; Y605-N623 WeakPolarHBondContact CD2-OD1 3.34Å; Y605-N623 PolarHBondContact N-OD1 3.18Å; Y605-N623 PolarHBondContact O-ND2 2.47Å; Y605-Y629 HydrophobicContact CD2-CE1 4.25Å; Y605-Y629 HydrophobicContact CG-CE1 4.09Å; Y605-F631 VanDerWaalsContact O-CE1 3.3Å; Y605-F631 WeakPolarHBondContact O-CE1 3.46Å; Y605-F631 VanDerWaalsContact O-CZ 3.24Å; Y605-F631 WeakPolarHBondContact O-CZ 3.41Å
606A86.2Confident88.2Confident0 Ų049.5 Ų49.50%025%0.245CC..  trans-83.5152.9168.300000112.8S608 R609 R652 M1021A606-S608 PolarHBondContact O-N 3.03Å; A606-R609 WeakPolarHBondContact O-CB 3.5Å; A606-R609 PolarHBondContact O-N 2.99Å; A606-R609 VanDerWaalsContact O-N 3.12Å; A606-R652 VanDerWaalsContact CA-NH1 3.35Å; A606-M1021 WeakPolarHBondContact CB-O 3.29Å; A606-M1021 WeakPolarHBondContact CB-OXT 3.32Å
607S80.8Confident88.2Confident30 Ų3054.3 Ų54.321%0.2127%0.266CS..THydrogen-bonded Turntrans-62.4-23.2179.453.20000114.2I302 R609I302-S607 WeakPolarHBondContact O-CB 3.47Å; S607-R609 VanDerWaalsContact C-N 3.35Å
608S78.3Confident88.4Confident28 Ų2850.1 Ų50.120%0.19624%0.244CC..THydrogen-bonded Turntrans-76.9-18.8178170000113.2A606 D610 M1021A606-S608 PolarHBondContact O-N 3.03Å; S608-D610 PolarHBondContact O-N 3.28Å; S608-M1021 VanDerWaalsContact CB-O 3.27Å; S608-M1021 WeakPolarHBondContact CB-O 3.48Å; S608-M1021 PolarHBondContact OG-O 3.28Å
609R83.6Confident88.7Confident23 Ų2349.2 Ų49.29%0.08724%0.239CC..SBendtrans-65.5130.1179.2179.758.1173.1-168.3-7.9110.3Y605 A606 S607 P611 L613 V614 Y629 N1019 D1020Y605-R609 HydrophobicContact CD1-CG 4.22Å; A606-R609 WeakPolarHBondContact O-CB 3.5Å; A606-R609 PolarHBondContact O-N 2.99Å; A606-R609 VanDerWaalsContact O-N 3.12Å; S607-R609 VanDerWaalsContact C-N 3.35Å; R609-P611 VanDerWaalsContact O-CD 3.27Å; R609-P611 WeakPolarHBondContact O-CD 3.38Å; R609-L613 PolarHBondContact NH2-O 3.1Å; R609-V614 HydrophobicContact CG-CG2 4.25Å; R609-Y629 WeakPolarHBondContact CB-OH 3.26Å; R609-Y629 WeakPolarHBondContact CG-OH 3.36Å; R609-Y629 WeakPolarHBondContact O-CE2 3.35Å; R609-Y629 PolarHBondContact O-OH 2.85Å; R609-N1019 PolarHBondContact NH1-O 3.02Å; R609-D1020 IonicContact CZ-OD1 3.33Å; R609-D1020 IonicContact NH1-OD1 2.73Å; R609-D1020 PolarHBondContact NH1-OD1 2.97Å; R609-D1020 IonicContact NH2-OD1 3.56Å
610D79.8Confident88.8Confident70 Ų7045.1 Ų45.137%0.37424%0.238SC..  trans-63.4119.4172.2-173.1-17.1000110S608 K612 L613S608-D610 PolarHBondContact O-N 3.28Å; D610-K612 PolarHBondContact O-N 3.44Å; D610-K612 VanDerWaalsContact O-N 3.1Å; D610-K612 WeakPolarHBondContact OD1-CB 2.95Å; D610-K612 PolarHBondContact OD1-N 3.06Å; D610-L613 HydrophobicContact CB-CD1 4.01Å; D610-L613 HydrophobicContact CB-CG 4.03Å; D610-L613 PolarHBondContact O-N 3.17Å
611P84.3Confident88.7Confident11 Ų1142.1 Ų42.17%0.07123%0.226CC..G310 helixtrans-53.7-28.3177.2-28.137000114.1R609 L613 V614 L624 Y629R609-P611 VanDerWaalsContact O-CD 3.27Å; R609-P611 WeakPolarHBondContact O-CD 3.38Å; P611-L613 PolarHBondContact O-N 3.1Å; P611-V614 WeakPolarHBondContact O-CB 3.31Å; P611-V614 PolarHBondContact O-N 3.3Å; P611-L624 HydrophobicContact CB-CD1 3.96Å; P611-L624 HydrophobicContact CB-CD2 4.13Å; P611-L624 HydrophobicContact CG-CD1 4.18Å; P611-Y629 HydrophobicContact CG-CE2 4.11Å
612K83.3Confident88.6Confident179 Ų17942.7 Ų42.778%0.77823%0.229SC*.G310 helixtrans-69.2-21.5179-63.4177.8-178.6177.80113.4D610D610-K612 PolarHBondContact O-N 3.44Å; D610-K612 VanDerWaalsContact O-N 3.1Å; D610-K612 WeakPolarHBondContact OD1-CB 2.95Å; D610-K612 PolarHBondContact OD1-N 3.06Å
613L83.6Confident88.4Confident96 Ų9641.8 Ų41.850%0.50323%0.226SC..G310 helixtrans-91.6-0.2179.3-60179000112.6R609 D610 P611R609-L613 PolarHBondContact NH2-O 3.1Å; D610-L613 HydrophobicContact CB-CD1 4.01Å; D610-L613 HydrophobicContact CB-CG 4.03Å; D610-L613 PolarHBondContact O-N 3.17Å; P611-L613 PolarHBondContact O-N 3.1Å
614V88.9Confident88.2Confident4 Ų442.4 Ų42.42%0.02423%0.229CC..SBendtrans-82.3125.3176.2175.90000109.3Y605 R609 P611 E616 K619 L624Y605-V614 HydrophobicContact CD1-CG2 4.36Å; Y605-V614 HydrophobicContact CD2-CG2 4.46Å; Y605-V614 HydrophobicContact CE1-CG2 4.16Å; Y605-V614 HydrophobicContact CE2-CG1 3.73Å; Y605-V614 HydrophobicContact CE2-CG2 4.27Å; R609-V614 HydrophobicContact CG-CG2 4.25Å; P611-V614 WeakPolarHBondContact O-CB 3.31Å; P611-V614 PolarHBondContact O-N 3.3Å; V614-E616 PolarHBondContact O-N 2.63Å; V614-K619 HydrophobicContact CG1-CG 3.95Å; V614-L624 HydrophobicContact CB-CD2 3.97Å; V614-L624 HydrophobicContact CG1-CD2 4.06Å; V614-L624 HydrophobicContact CG2-CD2 4.08Å
615P90.9Very high87.7Confident38 Ų3848.1 Ų48.125%0.24726%0.259CS..  trans-59.9133.8178.7-23.633.7000112.6D586 H617 L618 K619D586-P615 HydrophobicContact CB-CG 4.44Å; P615-H617 VanDerWaalsContact C-N 3.28Å; P615-H617 WeakPolarHBondContact CB-CE1 3.43Å; P615-H617 PolarHBondContact O-N 2.89Å; P615-L618 HydrophobicContact CB-CB 4.46Å; P615-L618 HydrophobicContact CB-CD1 4.3Å; P615-L618 HydrophobicContact CB-CG 4.24Å; P615-L618 HydrophobicContact CG-CD1 4.08Å; P615-L618 PolarHBondContact O-N 3.29Å; P615-K619 PolarHBondContact O-N 3.23Å
616E90.6Very high87.3Confident140 Ų14051 Ų5165%0.65429%0.289SS*.Hα-helixtrans-54.3-41.7-176.5-69.3-60.7156.200113V614 L618 K619V614-E616 PolarHBondContact O-N 2.63Å; E616-L618 PolarHBondContact O-N 3.37Å; E616-K619 PolarHBondContact O-N 3.18Å; E616-K619 IonicContact OE1-NZ 2.95Å; E616-K619 PolarHBondContact OE1-NZ 3.41Å; E616-K619 WeakPolarHBondContact OE2-CD 3.19Å; E616-K619 VanDerWaalsContact OE2-CE 3.26Å; E616-K619 WeakPolarHBondContact OE2-CE 3.36Å; E616-K619 IonicContact OE2-NZ 2.72Å; E616-K619 PolarHBondContact OE2-NZ 3.09Å
617H90.7Very high86.9Confident110 Ų11056.9 Ų56.951%0.50932%0.32SS..Hα-helixtrans-68.7-18.8-179.367-75.8000113.3S590 R593 P615S590-H617 PolarHBondContact OG-NE2 3.25Å; R593-H617 PolarHBondContact NH1-O 3.39Å; P615-H617 VanDerWaalsContact C-N 3.28Å; P615-H617 WeakPolarHBondContact CB-CE1 3.43Å; P615-H617 PolarHBondContact O-N 2.89Å
618L93.1Very high86.8Confident0 Ų057.4 Ų57.40%032%0.324CS..Hα-helixtrans-92.7-14.1177.2-63.7-175.2000113.4D586 C589 P615 E616 G620 C621 S622D586-L618 HydrophobicContact CB-CD1 3.7Å; C589-L618 HydrophobicContact CB-CD1 4.49Å; C589-L618 HydrophobicContact CB-CD2 4.29Å; P615-L618 HydrophobicContact CB-CB 4.46Å; P615-L618 HydrophobicContact CB-CD1 4.3Å; P615-L618 HydrophobicContact CB-CG 4.24Å; P615-L618 HydrophobicContact CG-CD1 4.08Å; P615-L618 PolarHBondContact O-N 3.29Å; E616-L618 PolarHBondContact O-N 3.37Å; L618-G620 VanDerWaalsContact C-N 3.31Å; L618-G620 PolarHBondContact O-N 3.04Å; L618-C621 PolarHBondContact O-N 3.1Å; L618-C621 PolarHBondContact O-SG 3.28Å; L618-C621 VanDerWaalsContact O-SG 3.39Å; L618-S622 VanDerWaalsContact O-CB 3.26Å; L618-S622 WeakPolarHBondContact O-CB 3.03Å; L618-S622 PolarHBondContact O-N 3.45Å; L618-S622 PolarHBondContact O-OG 3.03Å
619K91.2Very high87.2Confident61 Ų6156.1 Ų56.127%0.26532%0.315SS..Hα-helixtrans-57.1-45.5-176.5-68.4-171.7-176.91680111.8V614 P615 E616 C621 S622 L624V614-K619 HydrophobicContact CG1-CG 3.95Å; P615-K619 PolarHBondContact O-N 3.23Å; E616-K619 PolarHBondContact O-N 3.18Å; E616-K619 IonicContact OE1-NZ 2.95Å; E616-K619 PolarHBondContact OE1-NZ 3.41Å; E616-K619 WeakPolarHBondContact OE2-CD 3.19Å; E616-K619 VanDerWaalsContact OE2-CE 3.26Å; E616-K619 WeakPolarHBondContact OE2-CE 3.36Å; E616-K619 IonicContact OE2-NZ 2.72Å; E616-K619 PolarHBondContact OE2-NZ 3.09Å; K619-C621 VanDerWaalsContact C-N 3.28Å; K619-C621 PolarHBondContact O-N 3.3Å; K619-S622 WeakPolarHBondContact CA-OG 3.21Å; K619-S622 PolarHBondContact O-N 3.19Å; K619-S622 PolarHBondContact O-OG 3.3Å; K619-L624 HydrophobicContact CD-CD2 4.29Å; K619-L624 HydrophobicContact CG-CD2 4.24Å
620G88.4Confident87.4Confident67 Ų6756.7 Ų56.769%0.69132%0.319SS*.THydrogen-bonded Turntrans-59.9-29.6-179.200000115.6L618L618-G620 VanDerWaalsContact C-N 3.31Å; L618-G620 PolarHBondContact O-N 3.04Å
621C91.4Very high87.7Confident5 Ų553.6 Ų53.63%0.03430%0.303CS..THydrogen-bonded Turntrans-106.921.8-179.578.10000112.5R593 E598 Y602 R603 L618 K619R593-C621 VanDerWaalsContact CD-SG 3.53Å; R593-C621 PolarHBondContact NH1-SG 3.34Å; E598-C621 HydrophobicContact CG-CB 3.94Å; Y602-C621 WeakPolarHBondContact CA-O 3.49Å; Y602-C621 VanDerWaalsContact CD2-O 3.3Å; Y602-C621 WeakPolarHBondContact CD2-O 3.34Å; R603-C621 PolarHBondContact N-O 2.82Å; L618-C621 PolarHBondContact O-N 3.1Å; L618-C621 PolarHBondContact O-SG 3.28Å; L618-C621 VanDerWaalsContact O-SG 3.39Å; K619-C621 VanDerWaalsContact C-N 3.28Å; K619-C621 PolarHBondContact O-N 3.3Å
622S94.3Very high87.9Confident11 Ų1153.2 Ų53.28%0.07730%0.3CS..BIsolated β-bridgetrans-125.5168.1-173.872.60000112.4R603 L618 K619 L624R603-S622 WeakPolarHBondContact O-CA 3.24Å; R603-S622 WeakPolarHBondContact O-CB 3.46Å; L618-S622 VanDerWaalsContact O-CB 3.26Å; L618-S622 WeakPolarHBondContact O-CB 3.03Å; L618-S622 PolarHBondContact O-N 3.45Å; L618-S622 PolarHBondContact O-OG 3.03Å; K619-S622 WeakPolarHBondContact CA-OG 3.21Å; K619-S622 PolarHBondContact O-N 3.19Å; K619-S622 PolarHBondContact O-OG 3.3Å; S622-L624 PolarHBondContact O-N 3.43Å; S622-L624 VanDerWaalsContact O-N 3.09Å; S622-L624 PolarHBondContact OG-N 3.3Å
623N93.2Very high88.2Confident2 Ų246 Ų461%0.01127%0.273CS..SBendtrans-74.117172.371.4-35.9000114.5Y602 R603 Y605 Y629 I630 F631Y602-N623 HydrophobicContact CE1-CB 4.25Å; Y602-N623 WeakPolarHBondContact OH-CA 3.3Å; Y602-N623 WeakPolarHBondContact OH-CB 3.13Å; Y602-N623 PolarHBondContact OH-N 3.05Å; R603-N623 PolarHBondContact O-N 3.2Å; R603-N623 VanDerWaalsContact O-N 3.16Å; R603-N623 PolarHBondContact O-OD1 2.98Å; Y605-N623 WeakPolarHBondContact CB-OD1 3.26Å; Y605-N623 WeakPolarHBondContact CD2-OD1 3.34Å; Y605-N623 PolarHBondContact N-OD1 3.18Å; Y605-N623 PolarHBondContact O-ND2 2.47Å; N623-Y629 CarbonylContact O-C 3.54Å; N623-Y629 WeakPolarHBondContact O-CA 3.22Å; N623-I630 VanDerWaalsContact CB-O 3.23Å; N623-I630 WeakPolarHBondContact CB-O 3.49Å; N623-I630 PolarHBondContact O-N 3.48Å; N623-F631 VanDerWaalsContact ND2-CE1 3.3Å; N623-F631 WeakPolarHBondContact ND2-CE1 3.4Å
624L90.7Very high88.5Confident14 Ų1445.5 Ų45.57%0.07327%0.267CS..EExtended strand (participates in β ladder)trans-99.6118.3176.6-178.667000110.7P611 V614 K619 S622 Y629P611-L624 HydrophobicContact CB-CD1 3.96Å; P611-L624 HydrophobicContact CB-CD2 4.13Å; P611-L624 HydrophobicContact CG-CD1 4.18Å; V614-L624 HydrophobicContact CB-CD2 3.97Å; V614-L624 HydrophobicContact CG1-CD2 4.06Å; V614-L624 HydrophobicContact CG2-CD2 4.08Å; K619-L624 HydrophobicContact CD-CD2 4.29Å; K619-L624 HydrophobicContact CG-CD2 4.24Å; S622-L624 PolarHBondContact O-N 3.43Å; S622-L624 VanDerWaalsContact O-N 3.09Å; S622-L624 PolarHBondContact OG-N 3.3Å; L624-Y629 HydrophobicContact CB-CD1 4.07Å; L624-Y629 HydrophobicContact CB-CE1 3.99Å; L624-Y629 HydrophobicContact CD1-CD1 3.94Å; L624-Y629 HydrophobicContact CD1-CD2 4.45Å; L624-Y629 HydrophobicContact CD1-CE1 3.75Å; L624-Y629 HydrophobicContact CD1-CE2 4.29Å; L624-Y629 HydrophobicContact CD1-CG 4.29Å; L624-Y629 HydrophobicContact CG-CE1 4.34Å
625L86.1Confident88.7Confident122 Ų12250.6 Ų50.664%0.63929%0.291SS*.EExtended strand (participates in β ladder)trans-119.2109.8172.8-168.574.3000110.2D627 S628 I630L625-D627 PolarHBondContact O-N 3.2Å; L625-S628 PolarHBondContact N-O 3.5Å; L625-S628 PolarHBondContact O-N 2.9Å; L625-S628 VanDerWaalsContact O-N 3.13Å; L625-S628 VanDerWaalsContact O-O 3.1Å; L625-I630 HydrophobicContact CB-CD1 3.61Å; L625-I630 HydrophobicContact CB-CG1 4.16Å; L625-I630 HydrophobicContact CD2-CD1 3.42Å; L625-I630 VanDerWaalsContact CD2-CD1 3.42Å; L625-I630 HydrophobicContact CG-CD1 4.14Å
626G83.1Confident88.7Confident61 Ų6153.2 Ų53.263%0.62930%0.3SS*.THydrogen-bonded Turntrans62.9-121.6-16900000110.2
627D78.4Confident88.8Confident123 Ų12346.7 Ų46.766%0.65827%0.27SS*.THydrogen-bonded Turntrans-102.812.8175.9-66.3-35.9000113.2L625L625-D627 PolarHBondContact O-N 3.2Å
628S79.4Confident88.9Confident41 Ų4144.2 Ų44.229%0.28726%0.259SS..EExtended strand (participates in β ladder)trans-122138.7-175.1-62.80000111.9G301 L625G301-S628 WeakPolarHBondContact CA-OG 3.27Å; G301-S628 PolarHBondContact O-OG 2.99Å; L625-S628 PolarHBondContact N-O 3.5Å; L625-S628 PolarHBondContact O-N 2.9Å; L625-S628 VanDerWaalsContact O-N 3.13Å; L625-S628 VanDerWaalsContact O-O 3.1Å
629Y86.3Confident88.9Confident0 Ų051.6 Ų51.60%029%0.293CS..EExtended strand (participates in β ladder)trans-86.3137.9174.7-62.4-84.6000111.2S303 K304 Y605 R609 P611 N623 L624S303-Y629 CarbonylContact C-O 3.54Å; S303-Y629 WeakPolarHBondContact CA-O 3.19Å; S303-Y629 WeakPolarHBondContact CB-O 3.28Å; S303-Y629 WeakPolarHBondContact OG-CB 3.36Å; S303-Y629 PolarHBondContact OG-O 3.36Å; K304-Y629 PolarHBondContact N-O 2.72Å; Y605-Y629 HydrophobicContact CD2-CE1 4.25Å; Y605-Y629 HydrophobicContact CG-CE1 4.09Å; R609-Y629 WeakPolarHBondContact CB-OH 3.26Å; R609-Y629 WeakPolarHBondContact CG-OH 3.36Å; R609-Y629 WeakPolarHBondContact O-CE2 3.35Å; R609-Y629 PolarHBondContact O-OH 2.85Å; P611-Y629 HydrophobicContact CG-CE2 4.11Å; N623-Y629 CarbonylContact O-C 3.54Å; N623-Y629 WeakPolarHBondContact O-CA 3.22Å; L624-Y629 HydrophobicContact CB-CD1 4.07Å; L624-Y629 HydrophobicContact CB-CE1 3.99Å; L624-Y629 HydrophobicContact CD1-CD1 3.94Å; L624-Y629 HydrophobicContact CD1-CD2 4.45Å; L624-Y629 HydrophobicContact CD1-CE1 3.75Å; L624-Y629 HydrophobicContact CD1-CE2 4.29Å; L624-Y629 HydrophobicContact CD1-CG 4.29Å; L624-Y629 HydrophobicContact CG-CE1 4.34Å
630I87.5Confident89Confident36 Ų3650 Ų5019%0.18529%0.287CS..EExtended strand (participates in β ladder)trans-121.4108.2178.8-61.4-176.9000108.2K304 F306 N623 L625 P632K304-I630 HydrophobicContact CB-CG1 4.33Å; K304-I630 HydrophobicContact CB-CG2 4.38Å; K304-I630 CarbonylContact O-C 3.45Å; K304-I630 WeakPolarHBondContact O-CA 3.45Å; F306-I630 HydrophobicContact CD2-CG2 3.79Å; F306-I630 HydrophobicContact CE2-CG2 3.56Å; N623-I630 VanDerWaalsContact CB-O 3.23Å; N623-I630 WeakPolarHBondContact CB-O 3.49Å; N623-I630 PolarHBondContact O-N 3.48Å; L625-I630 HydrophobicContact CB-CD1 3.61Å; L625-I630 HydrophobicContact CB-CG1 4.16Å; L625-I630 HydrophobicContact CD2-CD1 3.42Å; L625-I630 VanDerWaalsContact CD2-CD1 3.42Å; L625-I630 HydrophobicContact CG-CD1 4.14Å; I630-P632 WeakPolarHBondContact O-CD 3.42Å
631F86.8Confident89.4Confident5 Ų550.3 Ų50.32%0.02227%0.267CS..EExtended strand (participates in β ladder)trans-83.3110174.7-68-83.4000109S303 K304 Y305 F306 I307 V604 Y605 N623 R652S303-F631 VanDerWaalsContact OG-CE2 3.23Å; S303-F631 WeakPolarHBondContact OG-CE2 3.41Å; K304-F631 PolarHBondContact O-N 2.66Å; Y305-F631 HydrophobicContact CD1-CB 3.92Å; Y305-F631 AromaticContact CD1-CD2 3.42Å; Y305-F631 HydrophobicContact CD1-CD2 3.42Å; Y305-F631 VanDerWaalsContact CD1-CD2 3.42Å; Y305-F631 HydrophobicContact CD1-CE2 4.18Å; Y305-F631 AromaticContact CD1-CG 3.86Å; Y305-F631 HydrophobicContact CD1-CG 3.86Å; Y305-F631 HydrophobicContact CE1-CB 4.48Å; Y305-F631 AromaticContact CE1-CD2 3.16Å; Y305-F631 HydrophobicContact CE1-CD2 3.16Å; Y305-F631 AromaticContact CE1-CE2 3.43Å; Y305-F631 HydrophobicContact CE1-CE2 3.43Å; Y305-F631 VanDerWaalsContact CE1-CE2 3.43Å; Y305-F631 AromaticContact CE1-CG 3.92Å; Y305-F631 HydrophobicContact CE1-CG 3.92Å; Y305-F631 HydrophobicContact CE1-CZ 4.39Å; Y305-F631 HydrophobicContact CG-CD2 4.38Å; Y305-F631 AromaticContact CZ-CD2 3.98Å; Y305-F631 AromaticContact CZ-CE2 3.98Å; F306-F631 WeakPolarHBondContact CB-O 3.49Å; F306-F631 PolarHBondContact N-O 3.43Å; I307-F631 HydrophobicContact CG2-CB 3.87Å; V604-F631 HydrophobicContact CG1-CD1 4.12Å; V604-F631 HydrophobicContact CG1-CE1 3.82Å; Y605-F631 VanDerWaalsContact O-CE1 3.3Å; Y605-F631 WeakPolarHBondContact O-CE1 3.46Å; Y605-F631 VanDerWaalsContact O-CZ 3.24Å; Y605-F631 WeakPolarHBondContact O-CZ 3.41Å; N623-F631 VanDerWaalsContact ND2-CE1 3.3Å; N623-F631 WeakPolarHBondContact ND2-CE1 3.4Å; F631-R652 VanDerWaalsContact CE1-CD 3.41Å; F631-R652 VanDerWaalsContact CZ-CZ 3.48Å
632P88.3Confident89.7Confident3 Ų350 Ų502%0.01927%0.265CS..  trans-65.1165-175.5-1731.5000112.4I307 Y602 I630 E636 L637I307-P632 WeakPolarHBondContact CB-O 3.16Å; I307-P632 PolarHBondContact N-O 3.03Å; Y602-P632 HydrophobicContact CE1-CG 3.77Å; Y602-P632 VanDerWaalsContact OH-CG 3.3Å; Y602-P632 WeakPolarHBondContact OH-CG 3.44Å; I630-P632 WeakPolarHBondContact O-CD 3.42Å; P632-E636 HydrophobicContact CB-CB 4.03Å; P632-E636 HydrophobicContact CB-CG 4Å; P632-E636 WeakPolarHBondContact CB-OE2 3.36Å; P632-L637 HydrophobicContact CB-CD2 4.4Å; P632-L637 HydrophobicContact CB-CG 4.18Å; P632-L637 HydrophobicContact CG-CD2 4.12Å; P632-L637 HydrophobicContact CG-CG 4.42Å
633A88.8Confident89.8Confident26 Ų2649.5 Ų49.522%0.21526%0.261CS..  trans-64161.9174.600000110.8F306 E635 E636 L637F306-A633 HydrophobicContact CB-CB 4.14Å; A633-E635 PolarHBondContact O-N 3.1Å; A633-E636 PolarHBondContact O-N 2.88Å; A633-L637 PolarHBondContact O-N 2.96Å
634K90.1Very high90.1Very high86 Ų8649.4 Ų49.437%0.37426%0.261SS..Hα-helixtrans-61.1-35.3-178.969.4176.4-176.8179.20111.7L637 M638K634-L637 PolarHBondContact O-N 2.85Å; K634-M638 WeakPolarHBondContact O-CB 3.39Å; K634-M638 WeakPolarHBondContact O-CG 3.09Å; K634-M638 PolarHBondContact O-N 2.96Å
635E92.4Very high90.3Very high112 Ų11248.8 Ų48.852%0.52326%0.257SS..Hα-helixtrans-62.6-49.5-179.7-6673.5-16200110.6A633 L637 M638 E639A633-E635 PolarHBondContact O-N 3.1Å; E635-L637 PolarHBondContact O-N 2.92Å; E635-M638 PolarHBondContact O-N 2.84Å; E635-E639 PolarHBondContact O-N 3.1Å
636E92Very high90.8Very high92 Ų9243.1 Ų43.143%0.4323%0.228SC..Hα-helixtrans-63.8-40.7177.2-172.1-178.915800111.7P632 A633 M638 E639 F640P632-E636 HydrophobicContact CB-CB 4.03Å; P632-E636 HydrophobicContact CB-CG 4Å; P632-E636 WeakPolarHBondContact CB-OE2 3.36Å; A633-E636 PolarHBondContact O-N 2.88Å; E636-M638 VanDerWaalsContact C-N 3.28Å; E636-M638 PolarHBondContact O-N 3.07Å; E636-E639 WeakPolarHBondContact O-CB 3.23Å; E636-E639 PolarHBondContact O-N 2.94Å; E636-F640 HydrophobicContact CG-CE2 4.41Å; E636-F640 VanDerWaalsContact O-CD2 3.29Å; E636-F640 WeakPolarHBondContact O-CD2 3.44Å; E636-F640 WeakPolarHBondContact O-CE2 3.26Å
637L92.3Very high91.3Very high4 Ų440.3 Ų40.32%0.02120%0.199CC..Hα-helixtrans-61.6-37175.5-75.2171.3000112.4I307 Y602 V604 P632 A633 K634 E635 E639 F640 I643 F653 I658I307-L637 HydrophobicContact CD1-CD1 3.58Å; Y602-L637 HydrophobicContact CD1-CD2 3.97Å; Y602-L637 HydrophobicContact CE1-CD2 3.98Å; V604-L637 HydrophobicContact CG2-CD2 4.42Å; P632-L637 HydrophobicContact CB-CD2 4.4Å; P632-L637 HydrophobicContact CB-CG 4.18Å; P632-L637 HydrophobicContact CG-CD2 4.12Å; P632-L637 HydrophobicContact CG-CG 4.42Å; A633-L637 PolarHBondContact O-N 2.96Å; K634-L637 PolarHBondContact O-N 2.85Å; E635-L637 PolarHBondContact O-N 2.92Å; L637-E639 VanDerWaalsContact C-N 3.27Å; L637-E639 PolarHBondContact O-N 3.22Å; L637-F640 PolarHBondContact O-N 3.11Å; L637-I643 WeakPolarHBondContact O-CD1 3.39Å; L637-F653 HydrophobicContact CD1-CD1 4.3Å; L637-F653 HydrophobicContact CD1-CE1 4.15Å; L637-F653 HydrophobicContact CD2-CE1 4.37Å; L637-I658 HydrophobicContact CB-CD1 4.46Å
638M92.9Very high91.9Very high58 Ų5835.2 Ų35.229%0.28617%0.171SC..Hα-helixtrans-75.1-13.9-179.5-72173.463.200113.5H574 K634 E635 E636 F640 P659H574-M638 PolarHBondContact CE1-O 3.34Å; K634-M638 WeakPolarHBondContact O-CB 3.39Å; K634-M638 WeakPolarHBondContact O-CG 3.09Å; K634-M638 PolarHBondContact O-N 2.96Å; E635-M638 PolarHBondContact O-N 2.84Å; E636-M638 VanDerWaalsContact C-N 3.28Å; E636-M638 PolarHBondContact O-N 3.07Å; M638-F640 VanDerWaalsContact C-N 3.34Å; M638-P659 HydrophobicContact CE-CG 3.88Å; M638-P659 VanDerWaalsContact SD-CD 3.59Å; M638-P659 HydrophobicContact SD-CG 4.18Å
639E93Very high92.5Very high154 Ų15433.3 Ų33.372%0.7216%0.158SC*.Hα-helixtrans-72.2-29.3173.3-69.2177.1-17500112.1E635 E636 L637E635-E639 PolarHBondContact O-N 3.1Å; E636-E639 WeakPolarHBondContact O-CB 3.23Å; E636-E639 PolarHBondContact O-N 2.94Å; L637-E639 VanDerWaalsContact C-N 3.27Å; L637-E639 PolarHBondContact O-N 3.22Å
640F94.6Very high92.8Very high29 Ų2933.3 Ų33.313%0.12716%0.158CC..  trans-71.1133.4177.3-61.5-72.8000111.3H574 H599 Y602 E636 L637 M638 I643H574-F640 PolarHBondContact ND1-O 2.82Å; H599-F640 WeakPolarHBondContact O-CD1 3.18Å; Y602-F640 HydrophobicContact CD1-CD2 4.23Å; Y602-F640 HydrophobicContact CD1-CE2 4.02Å; Y602-F640 AromaticContact CD2-CE1 3.97Å; Y602-F640 HydrophobicContact CD2-CE1 3.97Å; Y602-F640 AromaticContact CD2-CE2 3.92Å; Y602-F640 HydrophobicContact CD2-CE2 3.92Å; Y602-F640 AromaticContact CD2-CZ 3.59Å; Y602-F640 HydrophobicContact CD2-CZ 3.59Å; Y602-F640 HydrophobicContact CE1-CE2 4.49Å; Y602-F640 HydrophobicContact CE2-CE2 4.42Å; Y602-F640 HydrophobicContact CE2-CZ 4.14Å; Y602-F640 HydrophobicContact CG-CD1 4.38Å; Y602-F640 AromaticContact CG-CD2 3.94Å; Y602-F640 HydrophobicContact CG-CD2 3.94Å; Y602-F640 HydrophobicContact CG-CE1 4.16Å; Y602-F640 AromaticContact CG-CE2 3.7Å; Y602-F640 HydrophobicContact CG-CE2 3.7Å; Y602-F640 HydrophobicContact CG-CG 4.28Å; Y602-F640 AromaticContact CG-CZ 3.81Å; Y602-F640 HydrophobicContact CG-CZ 3.81Å; E636-F640 HydrophobicContact CG-CE2 4.41Å; E636-F640 VanDerWaalsContact O-CD2 3.29Å; E636-F640 WeakPolarHBondContact O-CD2 3.44Å; E636-F640 WeakPolarHBondContact O-CE2 3.26Å; L637-F640 PolarHBondContact O-N 3.11Å; M638-F640 VanDerWaalsContact C-N 3.34Å; F640-I643 HydrophobicContact CB-CG1 4.08Å
641R95.1Very high92.8Very high72 Ų7231.7 Ų31.727%0.27215%0.15SC..SBendtrans-77.1-34.4175.4-71.2-168172.4-163.2-12.1112.3E567 T571 H574 I575 K600E567-R641 WeakPolarHBondContact OE1-CD 3.47Å; E567-R641 IonicContact OE1-CZ 2.72Å; E567-R641 IonicContact OE1-NE 2.85Å; E567-R641 IonicContact OE1-NH1 3.79Å; E567-R641 PolarHBondContact OE1-NH1 3.37Å; T571-R641 PolarHBondContact O-NH2 2.84Å; H574-R641 WeakPolarHBondContact CA-O 3.31Å; I575-R641 PolarHBondContact N-O 3.05Å; K600-R641 HydrophobicContact CB-CB 4.36Å; K600-R641 PolarHBondContact O-N 3.27Å; K600-R641 VanDerWaalsContact O-N 3.1Å
642I97.6Very high92.8Very high0 Ų032.8 Ų32.80%015%0.154CC..EExtended strand (participates in β ladder)trans-127.8119.2-176.2-54.3174.7000108.6I563 E567 I575 I592 V596 K600 V601 Y602 V644I563-I642 HydrophobicContact CG2-CD1 3.7Å; I563-I642 HydrophobicContact CG2-CG1 4.41Å; I563-I642 HydrophobicContact CG2-CG2 4.38Å; E567-I642 HydrophobicContact CB-CD1 4.29Å; E567-I642 HydrophobicContact CG-CD1 4.14Å; I575-I642 HydrophobicContact CB-CG1 4.27Å; I575-I642 HydrophobicContact CD1-CG1 4.27Å; I575-I642 WeakPolarHBondContact O-CA 3.49Å; I592-I642 HydrophobicContact CD1-CG2 4.28Å; I592-I642 HydrophobicContact CG2-CD1 3.84Å; V596-I642 HydrophobicContact CG1-CD1 4.15Å; V596-I642 HydrophobicContact CG2-CD1 4.45Å; K600-I642 PolarHBondContact O-N 3.47Å; V601-I642 CarbonylContact C-O 3.28Å; V601-I642 WeakPolarHBondContact CA-O 3.3Å; V601-I642 HydrophobicContact CG1-CG2 4.47Å; V601-I642 HydrophobicContact CG2-CB 4.28Å; V601-I642 HydrophobicContact CG2-CD1 4.25Å; Y602-I642 PolarHBondContact N-O 2.85Å; I642-V644 HydrophobicContact CG2-CG2 4.21Å
643I97.8Very high92.9Very high0 Ų032.8 Ų32.80%015%0.153CC..EExtended strand (participates in β ladder)trans-112.7127.2173.4-59.6179.8000108.9I575 L576 A577 Y602 V604 L637 F640 F653 F663I575-I643 PolarHBondContact O-N 3.39Å; L576-I643 HydrophobicContact CD1-CB 4.33Å; L576-I643 HydrophobicContact CD1-CG2 4.3Å; A577-I643 PolarHBondContact N-O 2.83Å; Y602-I643 CarbonylContact O-C 3.34Å; Y602-I643 WeakPolarHBondContact O-CA 3.24Å; V604-I643 HydrophobicContact CG2-CG2 3.93Å; L637-I643 WeakPolarHBondContact O-CD1 3.39Å; F640-I643 HydrophobicContact CB-CG1 4.08Å; I643-F653 HydrophobicContact CD1-CE1 4.44Å; I643-F653 HydrophobicContact CG2-CE1 4.28Å; I643-F653 HydrophobicContact CG2-CE2 4.01Å; I643-F653 HydrophobicContact CG2-CZ 3.48Å; I643-F653 VanDerWaalsContact CG2-CZ 3.48Å; I643-F663 HydrophobicContact CD1-CE1 4.06Å; I643-F663 HydrophobicContact CD1-CZ 4.05Å
644V98Very high92.8Very high0 Ų031.5 Ų31.50%014%0.143CC..EExtended strand (participates in β ladder)trans-111.2127.5178.9-168.50000110A577 A585 L588 C589 I592 V601 Y602 R603 V604 I642A577-V644 HydrophobicContact CB-CG1 4.44Å; A577-V644 HydrophobicContact CB-CG2 4.25Å; A577-V644 CarbonylContact O-C 3.59Å; A577-V644 VanDerWaalsContact O-CA 3.3Å; A577-V644 WeakPolarHBondContact O-CA 3.46Å; A585-V644 HydrophobicContact CB-CG1 4.25Å; A585-V644 WeakPolarHBondContact O-CG1 3.39Å; L588-V644 HydrophobicContact CB-CG1 4.14Å; C589-V644 HydrophobicContact CB-CB 4.05Å; C589-V644 HydrophobicContact CB-CG1 3.98Å; C589-V644 HydrophobicContact CB-CG2 4.02Å; I592-V644 HydrophobicContact CD1-CG2 4.15Å; V601-V644 HydrophobicContact CG1-CG2 4.33Å; Y602-V644 PolarHBondContact O-N 3.12Å; R603-V644 WeakPolarHBondContact CA-O 3.32Å; R603-V644 WeakPolarHBondContact CD-O 3.49Å; V604-V644 PolarHBondContact N-O 3.02Å; I642-V644 HydrophobicContact CG2-CG2 4.21Å
645T96.9Very high92.4Very high0 Ų027.9 Ų27.90%013%0.129CC..EExtended strand (participates in β ladder)trans-157.8176.7-177.5-164.20000113.6L576 A577 C578 A579 V604 T649 A650 F653L576-T645 HydrophobicContact CD1-CG2 3.98Å; A577-T645 PolarHBondContact O-N 3.11Å; C578-T645 VanDerWaalsContact CA-O 3.27Å; C578-T645 WeakPolarHBondContact CA-O 3.33Å; A579-T645 PolarHBondContact N-O 2.92Å; V604-T645 PolarHBondContact O-OG1 2.6Å; T645-T649 WeakPolarHBondContact OG1-CB 3.29Å; T645-T649 WeakPolarHBondContact OG1-CG2 3.36Å; T645-A650 HydrophobicContact CG2-CB 3.85Å; T645-F653 HydrophobicContact CG2-CE2 3.81Å; T645-F653 HydrophobicContact CG2-CZ 4.42Å
646T94.9Very high92Very high4 Ų422.7 Ų22.73%0.02511%0.105CC..EExtended strand (participates in β ladder)trans-82.9153168.660.50000111.3A579 N582 L648 T649 A650A579-T646 CarbonylContact O-C 3.6Å; A579-T646 WeakPolarHBondContact O-CA 3.49Å; N582-T646 WeakPolarHBondContact OD1-CG2 3.35Å; T646-L648 PolarHBondContact O-N 2.67Å; T646-L648 VanDerWaalsContact O-N 3.16Å; T646-T649 PolarHBondContact O-N 2.92Å; T646-T649 VanDerWaalsContact O-N 3.08Å; T646-T649 WeakPolarHBondContact OG1-CB 3.43Å; T646-T649 PolarHBondContact OG1-N 2.96Å; T646-T649 PolarHBondContact OG1-OG1 2.82Å; T646-A650 PolarHBondContact O-N 2.72Å
647L94.3Very high91.7Very high2 Ų220.6 Ų20.61%0.0110%0.097CC..THydrogen-bonded Turntrans-49.4-44-179-76172.1000113C578 A579 P580 A650 V668 A674 E678 V681 P682C578-L647 HydrophobicContact CB-CD2 3.73Å; C578-L647 HydrophobicContact CB-CG 4.3Å; A579-L647 PolarHBondContact O-N 3.48Å; P580-L647 HydrophobicContact CB-CD1 4.28Å; L647-A650 WeakPolarHBondContact O-CB 3.05Å; L647-A650 PolarHBondContact O-N 3.16Å; L647-V668 HydrophobicContact CD1-CG1 4.29Å; L647-V668 HydrophobicContact CD2-CG1 3.9Å; L647-V668 HydrophobicContact CD2-CG2 4.09Å; L647-V668 HydrophobicContact CG-CG1 4.44Å; L647-A674 HydrophobicContact CD1-CB 3.49Å; L647-A674 VanDerWaalsContact CD1-CB 3.49Å; L647-E678 HydrophobicContact CB-CB 4.5Å; L647-E678 HydrophobicContact CD1-CB 4.1Å; L647-V681 VanDerWaalsContact O-CG1 3.32Å; L647-V681 WeakPolarHBondContact O-CG1 3.46Å; L647-P682 HydrophobicContact CD2-CG 3.72Å
648L91.1Very high91.6Very high15 Ų1520.4 Ų20.48%0.07910%0.096CC..THydrogen-bonded Turntrans-80.1-31.2-177.4-65.1172.1000112.4L481 Q482 T646 A650 G651 E678 V681 M1021L481-L648 VanDerWaalsContact CD1-O 3.32Å; L481-L648 WeakPolarHBondContact CD1-O 3.49Å; Q482-L648 HydrophobicContact CG-CD2 3.99Å; T646-L648 PolarHBondContact O-N 2.67Å; T646-L648 VanDerWaalsContact O-N 3.16Å; L648-A650 VanDerWaalsContact C-N 3.27Å; L648-A650 PolarHBondContact O-N 2.86Å; L648-G651 PolarHBondContact O-N 2.94Å; L648-G651 VanDerWaalsContact O-N 3.15Å; L648-E678 HydrophobicContact CD1-CG 4.41Å; L648-E678 HydrophobicContact CD2-CG 4.25Å; L648-V681 HydrophobicContact CD2-CG2 3.91Å; L648-M1021 HydrophobicContact CB-SD 4.06Å; L648-M1021 HydrophobicContact CD1-CE 3.23Å; L648-M1021 HydrophobicContact CD1-SD 3.09Å; L648-M1021 WeakPolarHBondContact CD1-SD 3.29Å; L648-M1021 HydrophobicContact CG-SD 4.16Å
649T91.3Very high91.5Very high2 Ų220.3 Ų20.31%0.01210%0.099CC..THydrogen-bonded Turntrans-66.6-30.5171.2-670000112.1V604 T645 T646 G651 R652V604-T649 HydrophobicContact CB-CG2 4.48Å; V604-T649 HydrophobicContact CG1-CG2 3.82Å; T645-T649 WeakPolarHBondContact OG1-CB 3.29Å; T645-T649 WeakPolarHBondContact OG1-CG2 3.36Å; T646-T649 PolarHBondContact O-N 2.92Å; T646-T649 VanDerWaalsContact O-N 3.08Å; T646-T649 WeakPolarHBondContact OG1-CB 3.43Å; T646-T649 PolarHBondContact OG1-N 2.96Å; T646-T649 PolarHBondContact OG1-OG1 2.82Å; T649-G651 PolarHBondContact O-N 3.13Å; T649-R652 VanDerWaalsContact O-CB 3.28Å; T649-R652 WeakPolarHBondContact O-CB 3.12Å; T649-R652 WeakPolarHBondContact O-CG 3.23Å; T649-R652 PolarHBondContact O-N 3.39Å; T649-R652 PolarHBondContact OG1-NH1 3.12Å
650A92.4Very high91.3Very high0 Ų015.3 Ų15.30%08%0.08CC..THydrogen-bonded Turntrans-57.1-24.6173.700000112.8L576 T645 T646 L647 L648 R652 F653 P682L576-A650 HydrophobicContact CD2-CB 4.29Å; T645-A650 HydrophobicContact CG2-CB 3.85Å; T646-A650 PolarHBondContact O-N 2.72Å; L647-A650 WeakPolarHBondContact O-CB 3.05Å; L647-A650 PolarHBondContact O-N 3.16Å; L648-A650 VanDerWaalsContact C-N 3.27Å; L648-A650 PolarHBondContact O-N 2.86Å; A650-R652 PolarHBondContact O-N 3.16Å; A650-F653 HydrophobicContact CB-CD2 4.14Å; A650-F653 HydrophobicContact CB-CE2 4.3Å; A650-F653 WeakPolarHBondContact O-CB 3.27Å; A650-F653 WeakPolarHBondContact O-CD2 3.21Å; A650-F653 PolarHBondContact O-N 3.36Å; A650-P682 HydrophobicContact CB-CB 3.84Å
651G88.5Confident90.9Very high1 Ų115 Ų151%0.019%0.085CC..Hα-helixtrans-58.3-19.5172.200000114.2R484 L648 T649 S655R484-G651 PolarHBondContact NH2-O 2.49Å; L648-G651 PolarHBondContact O-N 2.94Å; L648-G651 VanDerWaalsContact O-N 3.15Å; T649-G651 PolarHBondContact O-N 3.13Å; G651-S655 PolarHBondContact O-N 2.86Å; G651-S655 PolarHBondContact O-OG 3.18Å; G651-S655 VanDerWaalsContact O-OG 3.11Å
652R86.8Confident90.8Very high29 Ų2912.6 Ų12.611%0.1098%0.077CC..Hα-helixtrans-67.9-33.3173.1-68.4-171.5173.498.31.9112.6A606 F631 T649 A650 V654 S655 G656A606-R652 VanDerWaalsContact CA-NH1 3.35Å; F631-R652 VanDerWaalsContact CE1-CD 3.41Å; F631-R652 VanDerWaalsContact CZ-CZ 3.48Å; T649-R652 VanDerWaalsContact O-CB 3.28Å; T649-R652 WeakPolarHBondContact O-CB 3.12Å; T649-R652 WeakPolarHBondContact O-CG 3.23Å; T649-R652 PolarHBondContact O-N 3.39Å; T649-R652 PolarHBondContact OG1-NH1 3.12Å; A650-R652 PolarHBondContact O-N 3.16Å; R652-V654 VanDerWaalsContact C-N 3.31Å; R652-V654 PolarHBondContact O-N 3.32Å; R652-S655 CarbonylContact O-C 3.59Å; R652-S655 PolarHBondContact O-N 3.3Å; R652-G656 PolarHBondContact O-N 3.45Å
653F90.8Very high90.6Very high2 Ų212.7 Ų12.71%0.0098%0.077CC..Hα-helixtrans-65.1-38.1177.8-58.8-46.5000111.8L576 V604 L637 I643 T645 A650 G656 D657 I658 F663 L693L576-F653 HydrophobicContact CD1-CD2 4.16Å; L576-F653 HydrophobicContact CD1-CE2 3.71Å; V604-F653 HydrophobicContact CB-CZ 4.34Å; V604-F653 HydrophobicContact CG2-CE1 4.38Å; V604-F653 HydrophobicContact CG2-CZ 4.02Å; L637-F653 HydrophobicContact CD1-CD1 4.3Å; L637-F653 HydrophobicContact CD1-CE1 4.15Å; L637-F653 HydrophobicContact CD2-CE1 4.37Å; I643-F653 HydrophobicContact CD1-CE1 4.44Å; I643-F653 HydrophobicContact CG2-CE1 4.28Å; I643-F653 HydrophobicContact CG2-CE2 4.01Å; I643-F653 HydrophobicContact CG2-CZ 3.48Å; I643-F653 VanDerWaalsContact CG2-CZ 3.48Å; T645-F653 HydrophobicContact CG2-CE2 3.81Å; T645-F653 HydrophobicContact CG2-CZ 4.42Å; A650-F653 HydrophobicContact CB-CD2 4.14Å; A650-F653 HydrophobicContact CB-CE2 4.3Å; A650-F653 WeakPolarHBondContact O-CB 3.27Å; A650-F653 WeakPolarHBondContact O-CD2 3.21Å; A650-F653 PolarHBondContact O-N 3.36Å; F653-G656 PolarHBondContact O-N 2.64Å; F653-D657 PolarHBondContact O-N 3.13Å; F653-I658 HydrophobicContact CB-CB 4.39Å; F653-I658 HydrophobicContact CB-CD1 3.75Å; F653-I658 HydrophobicContact CB-CG1 4.14Å; F653-I658 HydrophobicContact CD1-CD1 3.55Å; F653-I658 HydrophobicContact CG-CD1 3.93Å; F653-I658 WeakPolarHBondContact O-CB 3.4Å; F653-I658 WeakPolarHBondContact O-CG1 3.3Å; F653-I658 PolarHBondContact O-N 3.37Å; F653-F663 HydrophobicContact CD2-CE2 4.45Å; F653-F663 HydrophobicContact CD2-CZ 4.46Å; F653-L693 HydrophobicContact CB-CD1 4.1Å; F653-L693 HydrophobicContact CB-CD2 4.39Å
654V85.6Confident90.5Very high0 Ų014.6 Ų14.60%09%0.089CC..Hα-helixtrans-65.7-43.3172.31790000111.5R652 G656 D657 A684 N686 L693R652-V654 VanDerWaalsContact C-N 3.31Å; R652-V654 PolarHBondContact O-N 3.32Å; V654-G656 VanDerWaalsContact C-N 3.26Å; V654-G656 PolarHBondContact O-N 3.09Å; V654-D657 PolarHBondContact O-N 3.04Å; V654-A684 VanDerWaalsContact CG2-O 3.31Å; V654-A684 WeakPolarHBondContact CG2-O 3.49Å; V654-N686 HydrophobicContact CG1-CB 3.68Å; V654-N686 PolarHBondContact O-ND2 2.92Å; V654-L693 HydrophobicContact CG2-CD1 3.6Å; V654-L693 HydrophobicContact CG2-CD2 4.32Å; V654-L693 HydrophobicContact CG2-CG 3.76Å
655S82.8Confident90.5Very high10 Ų1014.6 Ų14.67%0.079%0.089CC..Hα-helixtrans-69.7-27.4178.2-55.60000112.7K308 R484 G651 R652 D657K308-S655 CarbonylContact O-C 3.54Å; R484-S655 PolarHBondContact NH1-OG 3.25Å; G651-S655 PolarHBondContact O-N 2.86Å; G651-S655 PolarHBondContact O-OG 3.18Å; G651-S655 VanDerWaalsContact O-OG 3.11Å; R652-S655 CarbonylContact O-C 3.59Å; R652-S655 PolarHBondContact O-N 3.3Å; S655-D657 PolarHBondContact O-N 2.95Å
656G83.9Confident90.5Very high2 Ų214.6 Ų14.62%0.0219%0.089CC..THydrogen-bonded Turntrans-81.36.7177.400000115.3I307 R652 F653 V654 I658I307-G656 VanDerWaalsContact CG1-CA 3.41Å; R652-G656 PolarHBondContact O-N 3.45Å; F653-G656 PolarHBondContact O-N 2.64Å; V654-G656 VanDerWaalsContact C-N 3.26Å; V654-G656 PolarHBondContact O-N 3.09Å; G656-I658 VanDerWaalsContact C-N 3.26Å; G656-I658 PolarHBondContact O-N 3.39Å
657D86.2Confident90.7Very high49 Ų4914.5 Ų14.526%0.2629%0.088SC..THydrogen-bonded Turntrans56.334.7-178.6-55.5-35.3000113.5K308 F653 V654 S655K308-D657 WeakPolarHBondContact CD-OD2 3.35Å; K308-D657 WeakPolarHBondContact CE-OD2 3.21Å; K308-D657 IonicContact NZ-OD1 2.79Å; K308-D657 PolarHBondContact NZ-OD1 3.05Å; K308-D657 IonicContact NZ-OD2 3.69Å; K308-D657 PolarHBondContact NZ-OD2 3.33Å; F653-D657 PolarHBondContact O-N 3.13Å; V654-D657 PolarHBondContact O-N 3.04Å; S655-D657 PolarHBondContact O-N 2.95Å
658I90.1Very high90.9Very high0 Ų014.4 Ų14.40%09%0.088CC..PPolyproline II helixtrans-59.5131.8168.9-66.3-160.9000108.5L637 F653 G656 H662 F663 Q689 L693L637-I658 HydrophobicContact CB-CD1 4.46Å; F653-I658 HydrophobicContact CB-CB 4.39Å; F653-I658 HydrophobicContact CB-CD1 3.75Å; F653-I658 HydrophobicContact CB-CG1 4.14Å; F653-I658 HydrophobicContact CD1-CD1 3.55Å; F653-I658 HydrophobicContact CG-CD1 3.93Å; F653-I658 WeakPolarHBondContact O-CB 3.4Å; F653-I658 WeakPolarHBondContact O-CG1 3.3Å; F653-I658 PolarHBondContact O-N 3.37Å; G656-I658 VanDerWaalsContact C-N 3.26Å; G656-I658 PolarHBondContact O-N 3.39Å; I658-H662 HydrophobicContact CG2-CB 3.8Å; I658-F663 HydrophobicContact CG2-CE2 4.31Å; I658-Q689 PolarHBondContact O-NE2 3.48Å; I658-L693 HydrophobicContact CB-CD2 4.29Å; I658-L693 HydrophobicContact CG2-CD2 4.21Å
659P89.6Confident91.1Very high55 Ų5513.7 Ų13.736%0.3578%0.084SC..PPolyproline II helixtrans-57.8144.8-173.6-26.735.1000113.7M638 G661 H662M638-P659 HydrophobicContact CE-CG 3.88Å; M638-P659 VanDerWaalsContact SD-CD 3.59Å; M638-P659 HydrophobicContact SD-CG 4.18Å; P659-G661 PolarHBondContact O-N 3.35Å; P659-H662 VanDerWaalsContact O-CB 3.25Å; P659-H662 WeakPolarHBondContact O-CB 2.94Å; P659-H662 PolarHBondContact O-N 3.31Å
660P88.3Confident91.2Very high50 Ų5014.8 Ų14.833%0.3259%0.089SC..THydrogen-bonded Turntrans-55.5138.6172.9-28.638.4000112.5H662 Q689 G692P660-H662 PolarHBondContact O-N 2.86Å; P660-Q689 HydrophobicContact CG-CB 3.78Å; P660-Q689 HydrophobicContact CG-CG 3.98Å; P660-G692 CarbonylContact C-O 3.6Å; P660-G692 WeakPolarHBondContact CA-O 3.41Å
661G87.8Confident91.3Very high22 Ų2214.8 Ų14.823%0.2279%0.089CC..THydrogen-bonded Turntrans68.39.6179.900000115.3P659 F663 G692 L693P659-G661 PolarHBondContact O-N 3.35Å; G661-F663 VanDerWaalsContact C-N 3.25Å; G661-F663 PolarHBondContact O-N 3.28Å; G661-G692 PolarHBondContact N-O 2.96Å; G661-L693 WeakPolarHBondContact CA-O 3.3Å; G661-L693 PolarHBondContact N-O 2.79Å
662H91.9Very high91.4Very high22 Ų2214.9 Ų14.910%0.1029%0.09CC..  trans-55-44.5174.2175.464000110.9H574 I658 P659 P660 T664H574-H662 VanDerWaalsContact CB-O 3.31Å; H574-H662 WeakPolarHBondContact CB-O 3.06Å; H574-H662 AromaticContact CD2-CE1 3.76Å; H574-H662 AromaticContact CE1-CE1 3.52Å; H574-H662 AromaticContact CG-CE1 3.57Å; H574-H662 AromaticContact CG-NE2 3.86Å; H574-H662 AromaticContact ND1-CE1 3.41Å; H574-H662 PolarHBondContact ND1-CE1 2.82Å; H574-H662 AromaticContact ND1-NE2 3.65Å; H574-H662 AromaticContact NE2-CE1 3.73Å; I658-H662 HydrophobicContact CG2-CB 3.8Å; P659-H662 VanDerWaalsContact O-CB 3.25Å; P659-H662 WeakPolarHBondContact O-CB 2.94Å; P659-H662 PolarHBondContact O-N 3.31Å; P660-H662 PolarHBondContact O-N 2.86Å; H662-T664 PolarHBondContact O-N 3.29Å
663F94.8Very high91.5Very high1 Ų114.9 Ų14.90%0.0049%0.091CC..BIsolated β-bridgetrans-82.8105.9176.9-61.1-69.9000111H574 L576 I643 F653 I658 G661 H665 I666 L693H574-F663 HydrophobicContact CB-CD1 4.24Å; H574-F663 CarbonylContact O-C 3.58Å; L576-F663 HydrophobicContact CB-CB 4.25Å; L576-F663 HydrophobicContact CB-CD1 3.62Å; L576-F663 HydrophobicContact CB-CD2 4.21Å; L576-F663 HydrophobicContact CB-CE1 3.93Å; L576-F663 HydrophobicContact CB-CE2 4.48Å; L576-F663 HydrophobicContact CB-CG 3.76Å; L576-F663 HydrophobicContact CB-CZ 4.34Å; L576-F663 HydrophobicContact CD1-CE1 4.48Å; L576-F663 HydrophobicContact CD1-CZ 4.34Å; L576-F663 HydrophobicContact CD2-CD2 4.11Å; L576-F663 HydrophobicContact CD2-CE2 4.15Å; L576-F663 HydrophobicContact CD2-CG 4.47Å; I643-F663 HydrophobicContact CD1-CE1 4.06Å; I643-F663 HydrophobicContact CD1-CZ 4.05Å; F653-F663 HydrophobicContact CD2-CE2 4.45Å; F653-F663 HydrophobicContact CD2-CZ 4.46Å; I658-F663 HydrophobicContact CG2-CE2 4.31Å; G661-F663 VanDerWaalsContact C-N 3.25Å; G661-F663 PolarHBondContact O-N 3.28Å; F663-H665 VanDerWaalsContact C-N 3.29Å; F663-H665 PolarHBondContact O-N 2.7Å; F663-I666 HydrophobicContact CB-CD1 4.4Å; F663-I666 HydrophobicContact CB-CG1 4.11Å; F663-L693 HydrophobicContact CD2-CB 4.19Å; F663-L693 HydrophobicContact CD2-CD1 4.48Å; F663-L693 HydrophobicContact CD2-CD2 4.22Å; F663-L693 HydrophobicContact CE2-CD1 4.4Å; F663-L693 HydrophobicContact CE2-CD2 4.18Å
664T95.1Very high91.5Very high40 Ų4014.8 Ų14.825%0.2459%0.091CC..SBendtrans-65-31.7173.857.60000112.9C573 H574 H662 G699 Q700C573-T664 WeakPolarHBondContact CA-OG1 3.25Å; H574-T664 PolarHBondContact N-OG1 3.16Å; H574-T664 PolarHBondContact O-N 2.67Å; H574-T664 PolarHBondContact O-OG1 2.85Å; H662-T664 PolarHBondContact O-N 3.29Å; T664-G699 CarbonylContact O-C 3.38Å; T664-G699 VanDerWaalsContact O-CA 3.22Å; T664-G699 WeakPolarHBondContact O-CA 3.46Å; T664-Q700 PolarHBondContact O-N 3.36Å
665H97.1Very high91.8Very high1 Ų115.1 Ų15.11%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-135.4135.6-179.7-56.275.4000109.8R541 Q570 H574 I575 L576 F663 F667 Q700R541-H665 PolarHBondContact NH2-NE2 2.95Å; Q570-H665 PolarHBondContact OE1-CE1 2.85Å; H574-H665 PolarHBondContact O-N 3.49Å; I575-H665 WeakPolarHBondContact CA-O 3.35Å; I575-H665 HydrophobicContact CG1-CB 4.37Å; L576-H665 PolarHBondContact N-O 3.06Å; F663-H665 VanDerWaalsContact C-N 3.29Å; F663-H665 PolarHBondContact O-N 2.7Å; H665-F667 HydrophobicContact CB-CD2 4.29Å; H665-F667 HydrophobicContact CB-CE2 3.79Å; H665-Q700 WeakPolarHBondContact CA-O 2.95Å
666I97.8Very high92.4Very high0 Ų014.7 Ų14.70%09%0.09CC..EExtended strand (participates in β ladder)trans-123.1122.9172.8-56.5-171.5000108.1L576 F663 V668 P682 L683 L694 Q700 L701 V702L576-I666 HydrophobicContact CB-CG1 4.25Å; L576-I666 HydrophobicContact CD2-CD1 4.36Å; L576-I666 CarbonylContact O-C 3.53Å; L576-I666 WeakPolarHBondContact O-CA 3.12Å; F663-I666 HydrophobicContact CB-CD1 4.4Å; F663-I666 HydrophobicContact CB-CG1 4.11Å; I666-V668 HydrophobicContact CG2-CG2 4.49Å; I666-P682 WeakPolarHBondContact CD1-O 3.34Å; I666-P682 HydrophobicContact CG2-CB 4.32Å; I666-L683 HydrophobicContact CB-CD2 4.39Å; I666-L683 HydrophobicContact CD1-CD2 3.86Å; I666-L683 HydrophobicContact CG2-CD2 4.09Å; I666-L694 HydrophobicContact CD1-CB 3.79Å; I666-L694 HydrophobicContact CD1-CD1 4.08Å; I666-L694 HydrophobicContact CD1-CG 4.48Å; I666-L694 HydrophobicContact CG1-CD1 3.99Å; I666-Q700 PolarHBondContact N-O 3.43Å; I666-L701 HydrophobicContact CB-CD1 4.11Å; I666-L701 HydrophobicContact CG2-CD1 4.03Å; I666-L701 WeakPolarHBondContact O-CA 2.84Å; I666-L701 WeakPolarHBondContact O-CD1 3.22Å; I666-V702 PolarHBondContact O-N 3.03Å
667F98.5Very high92.9Very high1 Ų114.6 Ų14.60%0.0049%0.089CC..EExtended strand (participates in β ladder)trans-107.8134.1176.7-73.4-98.7000108.9I535 L559 A562 I563 I566 I575 L576 A577 C578 H665 V702I535-F667 HydrophobicContact CG2-CE1 4.06Å; I535-F667 HydrophobicContact CG2-CZ 3.85Å; L559-F667 HydrophobicContact CB-CD1 4.41Å; L559-F667 HydrophobicContact CD1-CD1 4.39Å; L559-F667 HydrophobicContact CD2-CD1 3.92Å; L559-F667 HydrophobicContact CD2-CE1 4.2Å; L559-F667 HydrophobicContact CG-CD1 4.47Å; A562-F667 HydrophobicContact CB-CE1 4.24Å; A562-F667 HydrophobicContact CB-CZ 4.42Å; I563-F667 HydrophobicContact CD1-CB 4.33Å; I563-F667 HydrophobicContact CD1-CD1 4.25Å; I563-F667 HydrophobicContact CD1-CD2 4.11Å; I563-F667 HydrophobicContact CD1-CG 3.97Å; I563-F667 HydrophobicContact CG1-CD1 4.1Å; I563-F667 HydrophobicContact CG1-CD2 3.76Å; I563-F667 HydrophobicContact CG1-CE1 4.02Å; I563-F667 HydrophobicContact CG1-CE2 3.67Å; I563-F667 HydrophobicContact CG1-CG 3.98Å; I563-F667 HydrophobicContact CG1-CZ 3.81Å; I566-F667 HydrophobicContact CD1-CE2 3.98Å; I566-F667 HydrophobicContact CD1-CZ 3.67Å; I575-F667 HydrophobicContact CG2-CD2 3.72Å; I575-F667 HydrophobicContact CG2-CE2 3.96Å; L576-F667 PolarHBondContact O-N 3.16Å; A577-F667 HydrophobicContact CB-CB 4.49Å; C578-F667 PolarHBondContact N-O 3.04Å; H665-F667 HydrophobicContact CB-CD2 4.29Å; H665-F667 HydrophobicContact CB-CE2 3.79Å; F667-V702 CarbonylContact C-O 3.58Å; F667-V702 WeakPolarHBondContact CA-O 2.95Å; F667-V702 HydrophobicContact CD1-CB 3.62Å; F667-V702 HydrophobicContact CD1-CG1 3.9Å; F667-V702 HydrophobicContact CD1-CG2 4.1Å; F667-V702 HydrophobicContact CE1-CB 3.71Å; F667-V702 HydrophobicContact CE1-CG1 3.88Å; F667-V702 HydrophobicContact CE1-CG2 3.71Å; F667-V702 HydrophobicContact CG-CB 4.27Å; F667-V702 HydrophobicContact CZ-CB 4.42Å; F667-V702 HydrophobicContact CZ-CG2 3.98Å
668V97.9Very high93.3Very high0 Ų013.2 Ų13.20%08%0.081CC..EExtended strand (participates in β ladder)trans-123.7108.3170.7-173.70000108.3C578 L647 I666 A671 L701 V702 L703 A704C578-V668 HydrophobicContact CB-CG2 4.45Å; C578-V668 WeakPolarHBondContact O-CA 3.31Å; L647-V668 HydrophobicContact CD1-CG1 4.29Å; L647-V668 HydrophobicContact CD2-CG1 3.9Å; L647-V668 HydrophobicContact CD2-CG2 4.09Å; L647-V668 HydrophobicContact CG-CG1 4.44Å; I666-V668 HydrophobicContact CG2-CG2 4.49Å; V668-A671 HydrophobicContact CB-CB 4.27Å; V668-A671 HydrophobicContact CG1-CB 3.82Å; V668-L701 HydrophobicContact CG2-CD1 4.23Å; V668-V702 PolarHBondContact N-O 3.22Å; V668-L703 HydrophobicContact CB-CD2 3.67Å; V668-L703 HydrophobicContact CG2-CD2 3.79Å; V668-A704 PolarHBondContact O-N 3.12Å
669D96.2Very high93.6Very high1 Ų113.3 Ų13.31%0.0058%0.081CC..THydrogen-bonded Turntrans-85.1154.1169.9-1609.1000110.4T556 L559 C578 P580 L588 A671 A704T556-D669 WeakPolarHBondContact CB-OD2 3.25Å; T556-D669 VanDerWaalsContact CG2-OD2 3.3Å; T556-D669 WeakPolarHBondContact CG2-OD2 3.43Å; T556-D669 PolarHBondContact OG1-OD2 2.95Å; L559-D669 HydrophobicContact CD1-CB 3.91Å; C578-D669 PolarHBondContact O-N 3.17Å; P580-D669 WeakPolarHBondContact CD-O 3.24Å; L588-D669 HydrophobicContact CD1-CB 3.85Å; L588-D669 HydrophobicContact CD2-CB 4.27Å; L588-D669 HydrophobicContact CG-CB 4.36Å; D669-A671 PolarHBondContact O-N 3.34Å; D669-A704 CarbonylContact C-O 3.59Å
670E93.2Very high93.8Very high25 Ų2510.7 Ų10.712%0.1176%0.064CC..THydrogen-bonded Turntrans5134-173.5-60.2-67.9170.800113.5P580 A584 G672 H673 A704P580-E670 HydrophobicContact CG-CB 3.97Å; A584-E670 HydrophobicContact CB-CG 4.39Å; E670-G672 PolarHBondContact O-N 3.04Å; E670-G672 VanDerWaalsContact O-N 3.08Å; E670-H673 WeakPolarHBondContact O-CB 3.47Å; E670-H673 PolarHBondContact O-N 2.79Å; E670-A704 CarbonylContact C-O 3.58Å; E670-A704 PolarHBondContact N-O 2.94Å
671A94.7Very high94.1Very high0 Ų08.4 Ų8.40%05%0.049CC..G310 helixtrans-59.7-22.2-178.100000113.7V668 D669 H673 A674 L703 A704 S727 L729V668-A671 HydrophobicContact CB-CB 4.27Å; V668-A671 HydrophobicContact CG1-CB 3.82Å; D669-A671 PolarHBondContact O-N 3.34Å; A671-H673 PolarHBondContact O-N 3.27Å; A671-A674 PolarHBondContact O-N 2.69Å; A671-L703 HydrophobicContact CB-CB 4.05Å; A671-L703 HydrophobicContact CB-CD2 4.27Å; A671-A704 WeakPolarHBondContact CB-O 3.23Å; A671-A704 PolarHBondContact N-O 2.74Å; A671-S727 WeakPolarHBondContact O-CB 3.32Å; A671-L729 HydrophobicContact CB-CB 4.25Å; A671-L729 HydrophobicContact CB-CD1 4.1Å
672G91.2Very high94.3Very high3 Ų37.3 Ų7.33%0.0314%0.038CC..G310 helixtrans-66.3-21.6173.600000113.9E670 G711 S727E670-G672 PolarHBondContact O-N 3.04Å; E670-G672 VanDerWaalsContact O-N 3.08Å; G672-G711 WeakPolarHBondContact O-CA 3.36Å; G672-S727 WeakPolarHBondContact O-CB 3.41Å
673H88.2Confident94.4Very high28 Ų286.3 Ų6.313%0.133%0.034CC..G310 helixtrans-92.6-13.3-178.4-169.4-161.1000113.1P580 E670 A671 G711 P712 Q894P580-H673 HydrophobicContact CG-CB 4.23Å; E670-H673 WeakPolarHBondContact O-CB 3.47Å; E670-H673 PolarHBondContact O-N 2.79Å; A671-H673 PolarHBondContact O-N 3.27Å; H673-G711 PolarHBondContact CD2-O 3.47Å; H673-P712 VanDerWaalsContact O-CA 3.27Å; H673-P712 WeakPolarHBondContact O-CA 3.45Å; H673-P712 WeakPolarHBondContact O-CB 3.21Å; H673-Q894 PolarHBondContact CE1-OE1 2.78Å; H673-Q894 PolarHBondContact ND1-OE1 3.13Å; H673-Q894 PolarHBondContact NE2-OE1 2.98Å
674A91.3Very high94Very high0 Ų06.3 Ų6.30%03%0.034CC..SBendtrans-89.7145.3-178.300000111.3P580 L647 A671 E678 S727P580-A674 HydrophobicContact CB-CB 4.31Å; L647-A674 HydrophobicContact CD1-CB 3.49Å; L647-A674 VanDerWaalsContact CD1-CB 3.49Å; A671-A674 PolarHBondContact O-N 2.69Å; A674-E678 HydrophobicContact CB-CB 4.44Å; A674-S727 VanDerWaalsContact O-CB 3.3Å; A674-S727 WeakPolarHBondContact O-CB 3.37Å
675V92.3Very high93.4Very high7 Ų74.4 Ų4.44%0.0422%0.022CC..  trans-66.5143.4165.8-175.50000107.5T677 E678 C679 P712 L714 M724V675-T677 VanDerWaalsContact CG1-OG1 3.3Å; V675-T677 WeakPolarHBondContact CG1-OG1 3.32Å; V675-T677 PolarHBondContact O-N 3.03Å; V675-T677 VanDerWaalsContact O-N 3.14Å; V675-E678 HydrophobicContact CB-CG 4.17Å; V675-E678 PolarHBondContact N-OE2 2.97Å; V675-E678 WeakPolarHBondContact O-CA 3.17Å; V675-E678 WeakPolarHBondContact O-CB 3.08Å; V675-E678 PolarHBondContact O-N 3.02Å; V675-C679 PolarHBondContact O-N 2.86Å; V675-P712 HydrophobicContact CB-CB 4.25Å; V675-P712 HydrophobicContact CG2-CB 3.37Å; V675-P712 HydrophobicContact CG2-CG 3.97Å; V675-L714 HydrophobicContact CG2-CD2 3.99Å; V675-M724 HydrophobicContact CG1-CE 3.81Å; V675-M724 HydrophobicContact CG1-CG 3.95Å
676E95.5Very high92.5Very high2 Ų25.2 Ų5.21%0.0093%0.027CC..Hα-helixtrans-48.5-45.9178.6175.5157170.100112.6Y362 F366 E678 C679 L680 L728 R731Y362-E676 VanDerWaalsContact CE2-OE1 3.24Å; Y362-E676 WeakPolarHBondContact CE2-OE1 3.22Å; Y362-E676 PolarHBondContact OH-OE1 3.22Å; F366-E676 HydrophobicContact CE1-CB 4.41Å; F366-E676 HydrophobicContact CE2-CG 4.23Å; F366-E676 HydrophobicContact CZ-CB 3.98Å; F366-E676 HydrophobicContact CZ-CG 3.98Å; E676-E678 PolarHBondContact O-N 2.97Å; E676-C679 WeakPolarHBondContact O-CA 3.47Å; E676-C679 WeakPolarHBondContact O-CB 3.34Å; E676-C679 PolarHBondContact O-N 3.38Å; E676-L680 HydrophobicContact CG-CD1 3.95Å; E676-L680 WeakPolarHBondContact O-CD1 3.4Å; E676-L680 PolarHBondContact O-N 3.17Å; E676-L728 HydrophobicContact CB-CB 4.26Å; E676-L728 HydrophobicContact CG-CB 4.03Å; E676-L728 HydrophobicContact CG-CD1 4.2Å; E676-R731 VanDerWaalsContact CD-NE 3.33Å; E676-R731 IonicContact OE1-CZ 2.78Å; E676-R731 VanDerWaalsContact OE1-CZ 3.22Å; E676-R731 IonicContact OE1-NE 3.91Å; E676-R731 PolarHBondContact OE1-NE 3.01Å; E676-R731 VanDerWaalsContact OE1-NE 3.15Å; E676-R731 IonicContact OE1-NH2 3.02Å; E676-R731 PolarHBondContact OE1-NH2 2.83Å; E676-R731 WeakPolarHBondContact OE2-CD 3.43Å; E676-R731 IonicContact OE2-CZ 3.21Å; E676-R731 IonicContact OE2-NE 2.66Å; E676-R731 PolarHBondContact OE2-NE 2.96Å; E676-R731 IonicContact OE2-NH2 2.8Å
677T94.3Very high91.5Very high0 Ų014 Ų140%06%0.06CC..Hα-helixtrans-59.6-27.2177.845.20000114.6F366 L370 Q482 V675F366-T677 HydrophobicContact CB-CG2 3.79Å; F366-T677 HydrophobicContact CD1-CG2 3.53Å; F366-T677 HydrophobicContact CD2-CG2 4.4Å; F366-T677 HydrophobicContact CE1-CG2 4.18Å; F366-T677 HydrophobicContact CG-CG2 3.67Å; L370-T677 HydrophobicContact CD1-CG2 3.99Å; L370-T677 HydrophobicContact CG-CG2 4.38Å; Q482-T677 PolarHBondContact OE1-OG1 2.94Å; V675-T677 VanDerWaalsContact CG1-OG1 3.3Å; V675-T677 WeakPolarHBondContact CG1-OG1 3.32Å; V675-T677 PolarHBondContact O-N 3.03Å; V675-T677 VanDerWaalsContact O-N 3.14Å
678E94.6Very high90.2Very high20 Ų2019.4 Ų19.49%0.0939%0.085CC..Hα-helixtrans-72.6-40.7171.9-61.5-179.2150.200111.2Q482 L647 L648 A674 V675 E676 L680 V681 P682Q482-E678 HydrophobicContact CG-CG 4.23Å; L647-E678 HydrophobicContact CB-CB 4.5Å; L647-E678 HydrophobicContact CD1-CB 4.1Å; L648-E678 HydrophobicContact CD1-CG 4.41Å; L648-E678 HydrophobicContact CD2-CG 4.25Å; A674-E678 HydrophobicContact CB-CB 4.44Å; V675-E678 HydrophobicContact CB-CG 4.17Å; V675-E678 PolarHBondContact N-OE2 2.97Å; V675-E678 WeakPolarHBondContact O-CA 3.17Å; V675-E678 WeakPolarHBondContact O-CB 3.08Å; V675-E678 PolarHBondContact O-N 3.02Å; E676-E678 PolarHBondContact O-N 2.97Å; E678-L680 PolarHBondContact O-N 3.21Å; E678-V681 WeakPolarHBondContact O-CB 3.26Å; E678-V681 PolarHBondContact O-N 3.41Å; E678-V681 VanDerWaalsContact O-N 3.1Å; E678-P682 WeakPolarHBondContact O-CD 3.46Å
679C95.1Very high88.9Confident1 Ų120.4 Ų20.41%0.0079%0.09CC..Hα-helixtrans-63.3-23.1174-68.90000112.9V675 E676 P682 L683 L728V675-C679 PolarHBondContact O-N 2.86Å; E676-C679 WeakPolarHBondContact O-CA 3.47Å; E676-C679 WeakPolarHBondContact O-CB 3.34Å; E676-C679 PolarHBondContact O-N 3.38Å; C679-P682 WeakPolarHBondContact O-CD 3.29Å; C679-P682 WeakPolarHBondContact O-CG 3.41Å; C679-L683 WeakPolarHBondContact O-CD1 3.38Å; C679-L683 VanDerWaalsContact O-CG 3.29Å; C679-L683 WeakPolarHBondContact O-CG 3.47Å; C679-L728 HydrophobicContact CB-CB 4.36Å; C679-L728 HydrophobicContact CB-CD2 3.97Å
680L94.4Very high87.5Confident0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-75.2-24.7173.1-73.498.5000113.8Y362 A485 A489 L494 L498 E676 E678 L683 A684Y362-L680 HydrophobicContact CE1-CD1 4.42Å; Y362-L680 HydrophobicContact CE1-CD2 3.71Å; Y362-L680 WeakPolarHBondContact OH-CD1 3.3Å; Y362-L680 WeakPolarHBondContact OH-CD2 3.3Å; A485-L680 HydrophobicContact CB-CB 3.73Å; A489-L680 HydrophobicContact CB-CD2 3.69Å; L494-L680 HydrophobicContact CD1-CD2 4.37Å; L498-L680 HydrophobicContact CD1-CD2 3.76Å; L498-L680 HydrophobicContact CD2-CD2 4.45Å; L498-L680 HydrophobicContact CD2-CG 4.34Å; E676-L680 HydrophobicContact CG-CD1 3.95Å; E676-L680 WeakPolarHBondContact O-CD1 3.4Å; E676-L680 PolarHBondContact O-N 3.17Å; E678-L680 PolarHBondContact O-N 3.21Å; L680-L683 WeakPolarHBondContact O-CA 3.46Å; L680-L683 PolarHBondContact O-N 3.48Å; L680-A684 PolarHBondContact O-N 2.91Å
681V93.5Very high86.8Confident2 Ų225.8 Ų25.81%0.01213%0.133CC..THydrogen-bonded Turntrans-56.5-43.9-175.8176.20000113.3L481 Q482 A485 L647 L648 E678 L683L481-V681 HydrophobicContact CB-CG1 4.45Å; L481-V681 HydrophobicContact CB-CG2 4.33Å; Q482-V681 HydrophobicContact CG-CG2 4.22Å; A485-V681 HydrophobicContact CB-CG2 4Å; L647-V681 VanDerWaalsContact O-CG1 3.32Å; L647-V681 WeakPolarHBondContact O-CG1 3.46Å; L648-V681 HydrophobicContact CD2-CG2 3.91Å; E678-V681 WeakPolarHBondContact O-CB 3.26Å; E678-V681 PolarHBondContact O-N 3.41Å; E678-V681 VanDerWaalsContact O-N 3.1Å; V681-L683 VanDerWaalsContact C-N 3.26Å; V681-L683 PolarHBondContact O-N 3.11Å
682P93.1Very high86.3Confident0 Ų025.9 Ų25.90%013%0.134CC..THydrogen-bonded Turntrans-76.3-5.6173.631.7-39000114.2L576 L647 A650 I666 E678 C679 L693L576-P682 HydrophobicContact CD2-CB 3.78Å; L647-P682 HydrophobicContact CD2-CG 3.72Å; A650-P682 HydrophobicContact CB-CB 3.84Å; I666-P682 WeakPolarHBondContact CD1-O 3.34Å; I666-P682 HydrophobicContact CG2-CB 4.32Å; E678-P682 WeakPolarHBondContact O-CD 3.46Å; C679-P682 WeakPolarHBondContact O-CD 3.29Å; C679-P682 WeakPolarHBondContact O-CG 3.41Å; P682-L693 VanDerWaalsContact O-CB 3.29Å; P682-L693 WeakPolarHBondContact O-CB 3.49Å
683L93.2Very high86.1Confident0 Ų025.7 Ų25.70%013%0.132CC..THydrogen-bonded Turntrans-100.4-50.3-176.6-48.6-179.3000111.9L494 I666 C679 L680 V681 G692 L693 L694 L701L494-L683 HydrophobicContact CD1-CB 4.14Å; I666-L683 HydrophobicContact CB-CD2 4.39Å; I666-L683 HydrophobicContact CD1-CD2 3.86Å; I666-L683 HydrophobicContact CG2-CD2 4.09Å; C679-L683 WeakPolarHBondContact O-CD1 3.38Å; C679-L683 VanDerWaalsContact O-CG 3.29Å; C679-L683 WeakPolarHBondContact O-CG 3.47Å; L680-L683 WeakPolarHBondContact O-CA 3.46Å; L680-L683 PolarHBondContact O-N 3.48Å; V681-L683 VanDerWaalsContact C-N 3.26Å; V681-L683 PolarHBondContact O-N 3.11Å; L683-G692 CarbonylContact O-C 3.52Å; L683-G692 VanDerWaalsContact O-CA 3.26Å; L683-G692 WeakPolarHBondContact O-CA 3.48Å; L683-L693 PolarHBondContact O-N 3.08Å; L683-L694 HydrophobicContact CD2-CB 4.42Å; L683-L694 HydrophobicContact CD2-CD2 4.23Å; L683-L694 PolarHBondContact O-N 2.88Å; L683-L701 HydrophobicContact CD1-CD2 3.8Å; L683-L701 HydrophobicContact CD2-CD1 3.86Å; L683-L701 HydrophobicContact CD2-CD2 4.13Å
684A87.6Confident86.2Confident2 Ų224.6 Ų24.62%0.01713%0.127CC..  trans-78.6148.5-175.100000111.8A485 L494 V654 L680A485-A684 HydrophobicContact CB-CB 4.07Å; L494-A684 HydrophobicContact CD1-CB 4.18Å; V654-A684 VanDerWaalsContact CG2-O 3.31Å; V654-A684 WeakPolarHBondContact CG2-O 3.49Å; L680-A684 PolarHBondContact O-N 2.91Å
685G82.7Confident86Confident0 Ų027.3 Ų27.30%014%0.142CC..  trans-94-148.2178.700000112.2H492H492-G685 WeakPolarHBondContact CE1-CA 3.49Å; H492-G685 PolarHBondContact CE1-N 3.2Å; H492-G685 PolarHBondContact ND1-N 2.98Å
686N78.2Confident85.7Confident18 Ų1828 Ų2810%0.09615%0.146CC..  trans-122.2178.5172.468.744000112.1H492 V654 E688 Q689H492-N686 PolarHBondContact CE1-O 2.69Å; H492-N686 PolarHBondContact NE2-O 2.98Å; V654-N686 HydrophobicContact CG1-CB 3.68Å; V654-N686 PolarHBondContact O-ND2 2.92Å; N686-E688 VanDerWaalsContact C-N 3.28Å; N686-E688 PolarHBondContact O-N 2.88Å; N686-E688 WeakPolarHBondContact OD1-CA 3.28Å; N686-E688 WeakPolarHBondContact OD1-CB 3.42Å; N686-E688 PolarHBondContact OD1-N 3.32Å; N686-Q689 PolarHBondContact O-N 3.47Å; N686-Q689 WeakPolarHBondContact OD1-CG 3.42Å; N686-Q689 PolarHBondContact OD1-N 2.96Å
687R75.7Confident85.1Confident185 Ų18535.2 Ų35.270%0.69818%0.18SC*.THydrogen-bonded Turntrans-60.2-33.5-179.4-166.8178.3177.4-1670.9114.1F488 Q689F488-R687 HydrophobicContact CE1-CB 3.81Å; F488-R687 HydrophobicContact CE1-CG 4.07Å; F488-R687 HydrophobicContact CE2-CB 4.33Å; F488-R687 HydrophobicContact CZ-CB 3.49Å; F488-R687 VanDerWaalsContact CZ-CB 3.49Å; F488-R687 HydrophobicContact CZ-CG 4.05Å; R687-Q689 PolarHBondContact O-N 3.33Å
688E71.2Confident84.7Confident113 Ų11339.4 Ų39.453%0.52821%0.205SC..THydrogen-bonded Turntrans-79.3-10.6-176.1-73.2163.1-158.600111.6K308 K312 N686K308-E688 IonicContact NZ-OE2 3.93Å; K312-E688 WeakPolarHBondContact CD-OE1 2.85Å; K312-E688 WeakPolarHBondContact CE-OE1 3.5Å; K312-E688 IonicContact NZ-OE1 2.72Å; K312-E688 PolarHBondContact NZ-OE1 2.83Å; K312-E688 IonicContact NZ-OE2 3.48Å; K312-E688 PolarHBondContact NZ-OE2 2.81Å; N686-E688 VanDerWaalsContact C-N 3.28Å; N686-E688 PolarHBondContact O-N 2.88Å; N686-E688 WeakPolarHBondContact OD1-CA 3.28Å; N686-E688 WeakPolarHBondContact OD1-CB 3.42Å; N686-E688 PolarHBondContact OD1-N 3.32Å
689Q71.1Confident84.6Confident21 Ų2138.6 Ų38.610%0.09820%0.202CC..  trans-105.3135.8-176.9-72.8179.3-16.900111.7H492 I658 P660 N686 R687 G691H492-Q689 PolarHBondContact NE2-O 3.47Å; H492-Q689 VanDerWaalsContact NE2-O 3.13Å; I658-Q689 PolarHBondContact O-NE2 3.48Å; P660-Q689 HydrophobicContact CG-CB 3.78Å; P660-Q689 HydrophobicContact CG-CG 3.98Å; N686-Q689 PolarHBondContact O-N 3.47Å; N686-Q689 WeakPolarHBondContact OD1-CG 3.42Å; N686-Q689 PolarHBondContact OD1-N 2.96Å; R687-Q689 PolarHBondContact O-N 3.33Å; Q689-G691 PolarHBondContact O-N 3.35Å
690S66.9Low84.6Confident123 Ų12338.6 Ų38.686%0.8620%0.202SC*.SBendtrans-73.9-7.3176.952.90000114.1
691G78.4Confident84.7Confident16 Ų1638.7 Ų38.717%0.16520%0.203CC..SBendtrans-155.8173.7-178.200000112.4H492 Q689H492-G691 WeakPolarHBondContact CD2-CA 3.49Å; H492-G691 PolarHBondContact NE2-O 2.77Å; Q689-G691 PolarHBondContact O-N 3.35Å
692G84.5Confident84.9Confident2 Ų238.6 Ų38.62%0.02120%0.202CC..  trans-83.9177.4175.800000113.6P660 G661 L683 L694P660-G692 CarbonylContact C-O 3.6Å; P660-G692 WeakPolarHBondContact CA-O 3.41Å; G661-G692 PolarHBondContact N-O 2.96Å; L683-G692 CarbonylContact O-C 3.52Å; L683-G692 VanDerWaalsContact O-CA 3.26Å; L683-G692 WeakPolarHBondContact O-CA 3.48Å; G692-L694 PolarHBondContact O-N 2.94Å
693L87.6Confident85.2Confident0 Ų038.6 Ų38.60%020%0.202CC..SBendtrans-61.7-34.6170.2-73.6-177.3000111.4L576 F653 V654 I658 G661 F663 P682 L683L576-L693 HydrophobicContact CD2-CD1 4.49Å; F653-L693 HydrophobicContact CB-CD1 4.1Å; F653-L693 HydrophobicContact CB-CD2 4.39Å; V654-L693 HydrophobicContact CG2-CD1 3.6Å; V654-L693 HydrophobicContact CG2-CD2 4.32Å; V654-L693 HydrophobicContact CG2-CG 3.76Å; I658-L693 HydrophobicContact CB-CD2 4.29Å; I658-L693 HydrophobicContact CG2-CD2 4.21Å; G661-L693 WeakPolarHBondContact CA-O 3.3Å; G661-L693 PolarHBondContact N-O 2.79Å; F663-L693 HydrophobicContact CD2-CB 4.19Å; F663-L693 HydrophobicContact CD2-CD1 4.48Å; F663-L693 HydrophobicContact CD2-CD2 4.22Å; F663-L693 HydrophobicContact CE2-CD1 4.4Å; F663-L693 HydrophobicContact CE2-CD2 4.18Å; P682-L693 VanDerWaalsContact O-CB 3.29Å; P682-L693 WeakPolarHBondContact O-CB 3.49Å; L683-L693 PolarHBondContact O-N 3.08Å
694L89.3Confident85.4Confident5 Ų538.6 Ų38.63%0.02620%0.202CC..BIsolated β-bridgetrans-87.8129.1169-172.169.5000110.2V497 I666 L683 G692 L701V497-L694 HydrophobicContact CG1-CD2 4.49Å; V497-L694 HydrophobicContact CG2-CD2 4.2Å; I666-L694 HydrophobicContact CD1-CB 3.79Å; I666-L694 HydrophobicContact CD1-CD1 4.08Å; I666-L694 HydrophobicContact CD1-CG 4.48Å; I666-L694 HydrophobicContact CG1-CD1 3.99Å; L683-L694 HydrophobicContact CD2-CB 4.42Å; L683-L694 HydrophobicContact CD2-CD2 4.23Å; L683-L694 PolarHBondContact O-N 2.88Å; G692-L694 PolarHBondContact O-N 2.94Å; L694-L701 HydrophobicContact CD2-CB 4.21Å
695N88.1Confident85.7Confident57 Ų5738.5 Ų38.531%0.30520%0.201SC..  trans-79.8120.2163.9-173.5-39.5000109.2E697 T698 G699N695-E697 VanDerWaalsContact C-N 3.28Å; N695-E697 PolarHBondContact O-N 3.48Å; N695-E697 PolarHBondContact OD1-N 3.44Å; N695-T698 VanDerWaalsContact CG-OG1 3.23Å; N695-T698 PolarHBondContact ND2-OG1 3.34Å; N695-T698 PolarHBondContact OD1-N 3.12Å; N695-G699 WeakPolarHBondContact O-CA 3.11Å; N695-G699 PolarHBondContact O-N 2.9Å
696T83.9Confident86.2Confident21 Ų2138.7 Ų38.713%0.12920%0.202CC..THydrogen-bonded Turntrans-75.2-12.9-175.953.10000114.5L494 V497 P542L494-T696 HydrophobicContact CD2-CG2 3.5Å; V497-T696 HydrophobicContact CG2-CG2 4.03Å; P542-T696 WeakPolarHBondContact CB-O 3.09Å
697E83.4Confident86.8Confident154 Ų15438.6 Ų38.672%0.7220%0.203SC*.THydrogen-bonded Turntrans-92.6-42.3178.5-63.4179.4179.900111.4N695N695-E697 VanDerWaalsContact C-N 3.28Å; N695-E697 PolarHBondContact O-N 3.48Å; N695-E697 PolarHBondContact OD1-N 3.44Å
698T87.4Confident87.6Confident87 Ų8734.6 Ų34.653%0.53419%0.191SC..THydrogen-bonded Turntrans-111.1-23.3-172.558.50000114.1R541 N695R541-T698 PolarHBondContact NH1-O 3.16Å; N695-T698 VanDerWaalsContact CG-OG1 3.23Å; N695-T698 PolarHBondContact ND2-OG1 3.34Å; N695-T698 PolarHBondContact OD1-N 3.12Å
699G91.3Very high88.5Confident3 Ų329.4 Ų29.43%0.03117%0.166CC..  trans-80.4165.6-17600000113.5T664 N695T664-G699 CarbonylContact O-C 3.38Å; T664-G699 VanDerWaalsContact O-CA 3.22Å; T664-G699 WeakPolarHBondContact O-CA 3.46Å; N695-G699 WeakPolarHBondContact O-CA 3.11Å; N695-G699 PolarHBondContact O-N 2.9Å
700Q94.6Very high89.2Confident1 Ų129 Ų291%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-129.8130.2178.7-166.21712.600111.7I535 R541 T664 H665 I666 V702I535-Q700 PolarHBondContact O-NE2 2.89Å; I535-Q700 VanDerWaalsContact O-NE2 3.08Å; I535-Q700 PolarHBondContact O-OE1 3.09Å; R541-Q700 HydrophobicContact CG-CB 4.06Å; R541-Q700 HydrophobicContact CG-CG 4.03Å; T664-Q700 PolarHBondContact O-N 3.36Å; H665-Q700 WeakPolarHBondContact CA-O 2.95Å; I666-Q700 PolarHBondContact N-O 3.43Å; Q700-V702 HydrophobicContact CG-CG2 4.21Å
701L97.3Very high90Very high2 Ų223.8 Ų23.81%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-99.7128.4168.1-179.156.6000109.3V497 P544 Y545 I666 V668 L683 L694 L703V497-L701 HydrophobicContact CG1-CB 4.36Å; V497-L701 HydrophobicContact CG1-CD2 3.62Å; P544-L701 CarbonylContact C-O 3.58Å; P544-L701 WeakPolarHBondContact CA-O 3.47Å; P544-L701 HydrophobicContact CB-CB 4.45Å; P544-L701 HydrophobicContact CB-CD2 4.43Å; P544-L701 HydrophobicContact CB-CG 4.39Å; P544-L701 HydrophobicContact CG-CD2 4.09Å; Y545-L701 PolarHBondContact N-O 2.92Å; I666-L701 HydrophobicContact CB-CD1 4.11Å; I666-L701 HydrophobicContact CG2-CD1 4.03Å; I666-L701 WeakPolarHBondContact O-CA 2.84Å; I666-L701 WeakPolarHBondContact O-CD1 3.22Å; V668-L701 HydrophobicContact CG2-CD1 4.23Å; L683-L701 HydrophobicContact CD1-CD2 3.8Å; L683-L701 HydrophobicContact CD2-CD1 3.86Å; L683-L701 HydrophobicContact CD2-CD2 4.13Å; L694-L701 HydrophobicContact CD2-CB 4.21Å; L701-L703 HydrophobicContact CD1-CD2 3.77Å; L701-L703 HydrophobicContact CD2-CD2 4.08Å; L701-L703 HydrophobicContact CD2-CG 4.38Å; L701-L703 HydrophobicContact CG-CD2 3.87Å; L701-L703 HydrophobicContact CG-CG 4.14Å
702V98.3Very high90.3Very high0 Ų023.7 Ų23.70%013%0.127CC..EExtended strand (participates in β ladder)trans-119.4122.3173.1-174.10000108.5I535 Y545 L559 I666 F667 V668 Q700I535-V702 HydrophobicContact CD1-CG1 3.88Å; I535-V702 HydrophobicContact CG1-CG1 4.2Å; I535-V702 HydrophobicContact CG1-CG2 4.28Å; I535-V702 HydrophobicContact CG2-CG2 3.96Å; Y545-V702 HydrophobicContact CD1-CG1 4.48Å; Y545-V702 CarbonylContact O-C 3.59Å; Y545-V702 WeakPolarHBondContact O-CA 2.96Å; L559-V702 HydrophobicContact CD2-CG1 3.68Å; I666-V702 PolarHBondContact O-N 3.03Å; F667-V702 CarbonylContact C-O 3.58Å; F667-V702 WeakPolarHBondContact CA-O 2.95Å; F667-V702 HydrophobicContact CD1-CB 3.62Å; F667-V702 HydrophobicContact CD1-CG1 3.9Å; F667-V702 HydrophobicContact CD1-CG2 4.1Å; F667-V702 HydrophobicContact CE1-CB 3.71Å; F667-V702 HydrophobicContact CE1-CG1 3.88Å; F667-V702 HydrophobicContact CE1-CG2 3.71Å; F667-V702 HydrophobicContact CG-CB 4.27Å; F667-V702 HydrophobicContact CZ-CB 4.42Å; F667-V702 HydrophobicContact CZ-CG2 3.98Å; V668-V702 PolarHBondContact N-O 3.22Å; Q700-V702 HydrophobicContact CG-CG2 4.21Å
703L98.1Very high89.8Confident0 Ų025.7 Ų25.70%014%0.137CC..EExtended strand (participates in β ladder)trans-112.4126.1178.1-54.2177.9000108.9P544 Y545 L546 V547 V668 A671 L701 L728 L729 L732P544-L703 HydrophobicContact CB-CD1 4.38Å; Y545-L703 PolarHBondContact O-N 2.97Å; L546-L703 WeakPolarHBondContact CA-O 3.16Å; L546-L703 HydrophobicContact CD2-CB 3.73Å; L546-L703 HydrophobicContact CD2-CD1 3.86Å; L546-L703 HydrophobicContact CD2-CG 4.13Å; V547-L703 PolarHBondContact N-O 3.42Å; V668-L703 HydrophobicContact CB-CD2 3.67Å; V668-L703 HydrophobicContact CG2-CD2 3.79Å; A671-L703 HydrophobicContact CB-CB 4.05Å; A671-L703 HydrophobicContact CB-CD2 4.27Å; L701-L703 HydrophobicContact CD1-CD2 3.77Å; L701-L703 HydrophobicContact CD2-CD2 4.08Å; L701-L703 HydrophobicContact CD2-CG 4.38Å; L701-L703 HydrophobicContact CG-CD2 3.87Å; L701-L703 HydrophobicContact CG-CG 4.14Å; L703-L728 HydrophobicContact CD1-CD2 3.94Å; L703-L728 HydrophobicContact CD1-CG 4Å; L703-L729 HydrophobicContact CB-CD1 4.26Å; L703-L732 HydrophobicContact CD1-CD1 3.94Å
704A97.3Very high89.2Confident0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-116142.7168.400000111.9V547 K555 L559 V668 D669 E670 A671V547-A704 HydrophobicContact CB-CB 4.15Å; V547-A704 WeakPolarHBondContact O-CA 3.3Å; V547-A704 WeakPolarHBondContact O-CB 3.46Å; K555-A704 HydrophobicContact CB-CB 4.47Å; L559-A704 HydrophobicContact CD1-CB 3.47Å; L559-A704 VanDerWaalsContact CD1-CB 3.47Å; L559-A704 HydrophobicContact CD2-CB 4Å; L559-A704 HydrophobicContact CG-CB 3.78Å; V668-A704 PolarHBondContact O-N 3.12Å; D669-A704 CarbonylContact C-O 3.59Å; E670-A704 CarbonylContact C-O 3.58Å; E670-A704 PolarHBondContact N-O 2.94Å; A671-A704 WeakPolarHBondContact CB-O 3.23Å; A671-A704 PolarHBondContact N-O 2.74Å
705G94.8Very high88.3Confident0 Ų027.6 Ų27.60%014%0.144CC..EExtended strand (participates in β ladder)trans172.9-168.5179.900000112.1V547 F548 G549 K555V547-G705 PolarHBondContact O-N 2.68Å; F548-G705 VanDerWaalsContact CA-O 3.24Å; F548-G705 WeakPolarHBondContact CA-O 3.36Å; F548-G705 WeakPolarHBondContact CB-O 3.46Å; G549-G705 PolarHBondContact N-O 3.23Å; K555-G705 VanDerWaalsContact CD-O 3.24Å; K555-G705 WeakPolarHBondContact CD-O 3.42Å
706D93.6Very high87.5Confident4 Ų424.9 Ų24.92%0.02113%0.13CC..  trans-140.3111.7177.1-175-5.3000109.8G549 P550 K708 Q709 Y773G549-D706 WeakPolarHBondContact O-CB 3.42Å; P550-D706 WeakPolarHBondContact CA-OD2 3.14Å; D706-K708 PolarHBondContact O-N 3.39Å; D706-K708 WeakPolarHBondContact OD1-CB 3.45Å; D706-K708 PolarHBondContact OD1-N 3.12Å; D706-Q709 HydrophobicContact CB-CB 4.16Å; D706-Q709 HydrophobicContact CB-CG 4Å; D706-Q709 PolarHBondContact O-N 2.78Å; D706-Q709 VanDerWaalsContact O-N 3.14Å; D706-Q709 WeakPolarHBondContact OD2-CG 3.5Å; D706-Q709 PolarHBondContact OD2-NE2 3.47Å; D706-Y773 PolarHBondContact OD2-OH 3.27Å
707P91.2Very high86.6Confident17 Ų1726.9 Ų26.911%0.1114%0.144CC..THydrogen-bonded Turntrans-68.2-12.5-179.631.3-36.7000112.6L729 E730 M733 K928P707-L729 HydrophobicContact CB-CD2 4.18Å; P707-L729 HydrophobicContact CG-CD2 4.32Å; P707-E730 HydrophobicContact CB-CB 4.21Å; P707-E730 HydrophobicContact CB-CG 4.11Å; P707-M733 HydrophobicContact CG-CE 4.1Å; P707-M733 HydrophobicContact CG-SD 3.83Å; P707-K928 WeakPolarHBondContact O-CE 3.29Å; P707-K928 PolarHBondContact O-NZ 2.84Å
708K91.7Very high86Confident101 Ų10122.5 Ų22.544%0.43912%0.122SC..THydrogen-bonded Turntrans-92.8-0176.3-57.1-61.4-172.1175.80113.3D706 F772 Y773 N931D706-K708 PolarHBondContact O-N 3.39Å; D706-K708 WeakPolarHBondContact OD1-CB 3.45Å; D706-K708 PolarHBondContact OD1-N 3.12Å; K708-F772 HydrophobicContact CB-CB 4.31Å; K708-F772 HydrophobicContact CG-CB 4.4Å; K708-Y773 HydrophobicContact CB-CE1 3.73Å; K708-Y773 HydrophobicContact CG-CD1 4.4Å; K708-Y773 HydrophobicContact CG-CE1 3.8Å; K708-N931 PolarHBondContact O-ND2 2.69Å
709Q89.9Confident85.6Confident4 Ų418.3 Ų18.32%0.01910%0.097CC..SBendtrans-101.3-178.3171.4-72.2-17765.300111P551 D706 G711 K928 V932 R936P551-Q709 HydrophobicContact CG-CG 4.35Å; D706-Q709 HydrophobicContact CB-CB 4.16Å; D706-Q709 HydrophobicContact CB-CG 4Å; D706-Q709 PolarHBondContact O-N 2.78Å; D706-Q709 VanDerWaalsContact O-N 3.14Å; D706-Q709 WeakPolarHBondContact OD2-CG 3.5Å; D706-Q709 PolarHBondContact OD2-NE2 3.47Å; Q709-G711 PolarHBondContact O-N 3.06Å; Q709-K928 WeakPolarHBondContact O-CD 3.28Å; Q709-K928 WeakPolarHBondContact O-CE 3.37Å; Q709-K928 VanDerWaalsContact O-CG 3.24Å; Q709-K928 WeakPolarHBondContact O-CG 3.45Å; Q709-V932 HydrophobicContact CB-CG2 3.75Å; Q709-V932 HydrophobicContact CG-CG2 3.79Å; Q709-R936 VanDerWaalsContact OE1-NH2 3.15Å
710L85Confident84.7Confident11 Ų1120.5 Ų20.56%0.05811%0.107CC..  trans-51.7129.1-179.5-78.4174.6000112.7V890 E891 Q894 R929 V932L710-V890 HydrophobicContact CD1-CB 4.37Å; L710-V890 HydrophobicContact CD1-CG1 3.93Å; L710-E891 HydrophobicContact CD1-CB 4.32Å; L710-E891 HydrophobicContact CD1-CG 3.98Å; L710-Q894 VanDerWaalsContact CB-OE1 3.27Å; L710-Q894 PolarHBondContact O-NE2 2.82Å; L710-R929 HydrophobicContact CD2-CG 3.58Å; L710-V932 HydrophobicContact CB-CG2 4.39Å; L710-V932 HydrophobicContact CD1-CG1 4.44Å; L710-V932 HydrophobicContact CD1-CG2 4.37Å; L710-V932 HydrophobicContact CG-CG2 3.92Å
711G84.9Confident83.9Confident15 Ų1526.7 Ų26.716%0.15513%0.134CC..  trans-86.3-179.717000000112.5G672 H673 Q709G672-G711 WeakPolarHBondContact O-CA 3.36Å; H673-G711 PolarHBondContact CD2-O 3.47Å; Q709-G711 PolarHBondContact O-N 3.06Å
712P83.3Confident83.2Confident13 Ų1327.5 Ų27.58%0.08414%0.137CC..  trans-60.7155.6176.326-36.4000113.4H673 V675 E725H673-P712 VanDerWaalsContact O-CA 3.27Å; H673-P712 WeakPolarHBondContact O-CA 3.45Å; H673-P712 WeakPolarHBondContact O-CB 3.21Å; V675-P712 HydrophobicContact CB-CB 4.25Å; V675-P712 HydrophobicContact CG2-CB 3.37Å; V675-P712 HydrophobicContact CG2-CG 3.97Å; P712-E725 WeakPolarHBondContact CD-O 3.5Å; P712-E725 WeakPolarHBondContact CG-O 3.32Å
713I74.9Confident82.6Confident44 Ų4433.5 Ų33.523%0.22617%0.165CC..  trans-107115.6-177.1-60.4163.5000109.2E891 P1015I713-E891 HydrophobicContact CD1-CB 4.29Å; I713-E891 HydrophobicContact CD1-CG 3.64Å; I713-P1015 HydrophobicContact CB-CG 4.1Å; I713-P1015 HydrophobicContact CD1-CB 3.41Å; I713-P1015 VanDerWaalsContact CD1-CB 3.41Å; I713-P1015 HydrophobicContact CD1-CG 3.64Å; I713-P1015 HydrophobicContact CG1-CG 4.49Å; I713-P1015 HydrophobicContact CG2-CG 3.89Å
714L74.1Confident82Confident13 Ų1333.7 Ų33.77%0.06817%0.166CC..  trans-112.8148.2179.7-64.2169.7000110.8V675 A719 L720 M724 E725V675-L714 HydrophobicContact CG2-CD2 3.99Å; L714-A719 HydrophobicContact CB-CB 4.5Å; L714-A719 HydrophobicContact CD1-CB 4.03Å; L714-L720 HydrophobicContact CB-CD2 4.01Å; L714-L720 HydrophobicContact CB-CG 4.31Å; L714-L720 HydrophobicContact CD1-CD2 4.23Å; L714-M724 HydrophobicContact CD1-CB 3.57Å; L714-M724 HydrophobicContact CD1-CG 3.81Å; L714-M724 HydrophobicContact CD1-SD 4.44Å; L714-M724 HydrophobicContact CD2-CE 4.1Å; L714-M724 HydrophobicContact CD2-CG 4.14Å; L714-M724 HydrophobicContact CD2-SD 4.04Å; L714-E725 HydrophobicContact CD1-CB 4.02Å; L714-E725 VanDerWaalsContact CD1-N 3.3Å
715R71.7Confident81.5Confident32 Ų3237.6 Ų37.612%0.12119%0.185CC..  trans-95.8-38.2179.5-61.7175.8172.8-167.2-6111.5E373 Q376 P717 D1014 R1018E373-R715 VanDerWaalsContact OE1-CB 3.26Å; E373-R715 WeakPolarHBondContact OE1-CB 3.42Å; E373-R715 WeakPolarHBondContact OE1-CG 3.44Å; E373-R715 PolarHBondContact OE1-N 2.93Å; E373-R715 PolarHBondContact OE2-N 3.37Å; E373-R715 VanDerWaalsContact OE2-N 3.08Å; Q376-R715 HydrophobicContact CB-CB 4.34Å; Q376-R715 HydrophobicContact CG-CB 3.83Å; R715-P717 WeakPolarHBondContact O-CD 3.21Å; R715-D1014 IonicContact NH2-OD1 3.54Å; R715-D1014 PolarHBondContact NH2-OD1 2.81Å; R715-R1018 VanDerWaalsContact NH1-NH2 3.11Å; R715-R1018 VanDerWaalsContact NH2-CZ 3.31Å; R715-R1018 VanDerWaalsContact NH2-NH1 3.19Å
716S71.2Confident81.3Confident1 Ų139.7 Ų39.71%0.00720%0.195CC..  trans-72.6122-175-178.70000111.2E373 F718 A719 L720E373-S716 VanDerWaalsContact OE2-CB 3.22Å; E373-S716 WeakPolarHBondContact OE2-CB 3.13Å; E373-S716 PolarHBondContact OE2-N 3.15Å; S716-F718 PolarHBondContact O-N 3.31Å; S716-F718 PolarHBondContact OG-N 2.89Å; S716-A719 WeakPolarHBondContact O-CB 3.42Å; S716-A719 PolarHBondContact O-N 3.29Å; S716-A719 PolarHBondContact OG-N 2.74Å; S716-L720 PolarHBondContact O-N 3.32Å; S716-L720 VanDerWaalsContact O-N 3.11Å
717P64.7Low81.4Confident63 Ų6339.5 Ų39.541%0.40919%0.194SC..Hα-helixtrans-59.6-29.2172.7-23.634.5000112.4R715 K721R715-P717 WeakPolarHBondContact O-CD 3.21Å; P717-K721 VanDerWaalsContact O-CB 3.3Å; P717-K721 WeakPolarHBondContact O-CB 3.45Å; P717-K721 PolarHBondContact O-N 3.27Å
718F71.3Confident81.6Confident61 Ų6138.7 Ų38.727%0.26819%0.189SC..Hα-helixtrans-72-38.4175.2-63.7-72.3000112V335 L372 S716 L720 K721 Y722V335-F718 HydrophobicContact CG1-CE1 4.24Å; L372-F718 HydrophobicContact CD1-CB 3.85Å; S716-F718 PolarHBondContact O-N 3.31Å; S716-F718 PolarHBondContact OG-N 2.89Å; F718-L720 VanDerWaalsContact C-N 3.31Å; F718-L720 PolarHBondContact O-N 2.86Å; F718-K721 PolarHBondContact O-N 3.22Å; F718-Y722 HydrophobicContact CB-CD2 4.4Å; F718-Y722 HydrophobicContact CB-CE2 4.42Å; F718-Y722 HydrophobicContact CD1-CE2 4.23Å; F718-Y722 WeakPolarHBondContact O-CD2 3.12Å; F718-Y722 PolarHBondContact O-N 2.8Å
719A77.8Confident81.9Confident0 Ų033.9 Ų33.90%017%0.168CC..Hα-helixtrans-61.8-41.917500000111.2L714 S716 Y722 E723 M724L714-A719 HydrophobicContact CB-CB 4.5Å; L714-A719 HydrophobicContact CD1-CB 4.03Å; S716-A719 WeakPolarHBondContact O-CB 3.42Å; S716-A719 PolarHBondContact O-N 3.29Å; S716-A719 PolarHBondContact OG-N 2.74Å; A719-Y722 CarbonylContact O-C 3.55Å; A719-E723 PolarHBondContact O-N 2.99Å; A719-M724 HydrophobicContact CB-CB 4.01Å; A719-M724 HydrophobicContact CB-CG 4.47Å; A719-M724 HydrophobicContact CB-SD 3.79Å; A719-M724 VanDerWaalsContact O-CB 3.24Å; A719-M724 WeakPolarHBondContact O-CB 3.37Å; A719-M724 PolarHBondContact O-N 2.84Å
720L73.8Confident82.1Confident48 Ų4835.4 Ų35.425%0.25118%0.175SC..Hα-helixtrans-62.5-51.2172.7-65.4171.1000111.8L714 S716 F718 Y722 E723 E725L714-L720 HydrophobicContact CB-CD2 4.01Å; L714-L720 HydrophobicContact CB-CG 4.31Å; L714-L720 HydrophobicContact CD1-CD2 4.23Å; S716-L720 PolarHBondContact O-N 3.32Å; S716-L720 VanDerWaalsContact O-N 3.11Å; F718-L720 VanDerWaalsContact C-N 3.31Å; F718-L720 PolarHBondContact O-N 2.86Å; L720-Y722 PolarHBondContact O-N 3.27Å; L720-Y722 VanDerWaalsContact O-N 3.16Å; L720-E723 PolarHBondContact O-N 2.62Å; L720-E725 HydrophobicContact CD2-CB 4.08Å; L720-E725 HydrophobicContact CD2-CG 4.45Å; L720-E725 VanDerWaalsContact CD2-OE2 3.3Å; L720-E725 WeakPolarHBondContact CD2-OE2 3.12Å
721K76.1Confident82.6Confident131 Ų13135.3 Ų35.357%0.5717%0.174SC*.Hα-helixtrans-55.3-36.2-179.6-179.5-178176.5-167.90112.9P717 F718P717-K721 VanDerWaalsContact O-CB 3.3Å; P717-K721 WeakPolarHBondContact O-CB 3.45Å; P717-K721 PolarHBondContact O-N 3.27Å; F718-K721 PolarHBondContact O-N 3.22Å
722Y82.9Confident83.1Confident19 Ų1934.6 Ų34.68%0.07517%0.166CC..THydrogen-bonded Turntrans-103.529.5-178.4-59.2-60.7000112.6L353 E354 L369 F718 A719 L720 M724L353-Y722 HydrophobicContact CB-CD1 3.92Å; L353-Y722 HydrophobicContact CB-CD2 3.92Å; L353-Y722 HydrophobicContact CB-CE1 3.87Å; L353-Y722 HydrophobicContact CB-CE2 3.88Å; L353-Y722 HydrophobicContact CB-CG 3.97Å; L353-Y722 HydrophobicContact CD1-CD2 4.07Å; L353-Y722 HydrophobicContact CD1-CE2 3.74Å; L353-Y722 HydrophobicContact CD2-CD2 4.11Å; L353-Y722 HydrophobicContact CD2-CG 4.43Å; L353-Y722 HydrophobicContact CG-CD2 4.27Å; L353-Y722 HydrophobicContact CG-CE2 4.29Å; L353-Y722 WeakPolarHBondContact O-CD1 3.3Å; E354-Y722 HydrophobicContact CG-CE1 4.07Å; L369-Y722 HydrophobicContact CD2-CD2 4.25Å; L369-Y722 HydrophobicContact CD2-CG 4.44Å; F718-Y722 HydrophobicContact CB-CD2 4.4Å; F718-Y722 HydrophobicContact CB-CE2 4.42Å; F718-Y722 HydrophobicContact CD1-CE2 4.23Å; F718-Y722 WeakPolarHBondContact O-CD2 3.12Å; F718-Y722 PolarHBondContact O-N 2.8Å; A719-Y722 CarbonylContact O-C 3.55Å; L720-Y722 PolarHBondContact O-N 3.27Å; L720-Y722 VanDerWaalsContact O-N 3.16Å; Y722-M724 VanDerWaalsContact C-N 3.32Å; Y722-M724 PolarHBondContact O-N 2.65Å
723E85.3Confident83.7Confident127 Ų12735 Ų3559%0.59317%0.167SC*.THydrogen-bonded Turntrans64.624.4164.8-55177.2169.700115.7A719 L720 E725 M726A719-E723 PolarHBondContact O-N 2.99Å; L720-E723 PolarHBondContact O-N 2.62Å; E723-E725 PolarHBondContact O-N 3.27Å; E723-M726 WeakPolarHBondContact O-CB 3.43Å; E723-M726 PolarHBondContact O-N 2.91Å; E723-M726 VanDerWaalsContact O-N 3.15Å
724M87.3Confident84.5Confident4 Ų436.1 Ų36.12%0.0218%0.176CC..THydrogen-bonded Turntrans-65.5-16.5173.3-171.4176.2174.700112.1L369 L370 V675 L714 A719 Y722 M726L369-M724 HydrophobicContact CB-CG 4.49Å; L369-M724 HydrophobicContact CB-SD 3.62Å; L369-M724 HydrophobicContact CD1-CB 4.26Å; L370-M724 HydrophobicContact CD2-CE 3.61Å; L370-M724 HydrophobicContact CG-CE 4.01Å; V675-M724 HydrophobicContact CG1-CE 3.81Å; V675-M724 HydrophobicContact CG1-CG 3.95Å; L714-M724 HydrophobicContact CD1-CB 3.57Å; L714-M724 HydrophobicContact CD1-CG 3.81Å; L714-M724 HydrophobicContact CD1-SD 4.44Å; L714-M724 HydrophobicContact CD2-CE 4.1Å; L714-M724 HydrophobicContact CD2-CG 4.14Å; L714-M724 HydrophobicContact CD2-SD 4.04Å; A719-M724 HydrophobicContact CB-CB 4.01Å; A719-M724 HydrophobicContact CB-CG 4.47Å; A719-M724 HydrophobicContact CB-SD 3.79Å; A719-M724 VanDerWaalsContact O-CB 3.24Å; A719-M724 WeakPolarHBondContact O-CB 3.37Å; A719-M724 PolarHBondContact O-N 2.84Å; Y722-M724 VanDerWaalsContact C-N 3.32Å; Y722-M724 PolarHBondContact O-N 2.65Å; M724-M726 PolarHBondContact O-N 2.81Å
725E85.9Confident85.3Confident82 Ų8239.3 Ų39.338%0.38319%0.193SC..THydrogen-bonded Turntrans-72.5-11175.564.7178.1-175.500113.5P712 L714 L720 E723 S727P712-E725 WeakPolarHBondContact CD-O 3.5Å; P712-E725 WeakPolarHBondContact CG-O 3.32Å; L714-E725 HydrophobicContact CD1-CB 4.02Å; L714-E725 VanDerWaalsContact CD1-N 3.3Å; L720-E725 HydrophobicContact CD2-CB 4.08Å; L720-E725 HydrophobicContact CD2-CG 4.45Å; L720-E725 VanDerWaalsContact CD2-OE2 3.3Å; L720-E725 WeakPolarHBondContact CD2-OE2 3.12Å; E723-E725 PolarHBondContact O-N 3.27Å; E725-S727 PolarHBondContact O-N 2.53Å
726M91.1Very high86.3Confident44 Ų4439.1 Ų39.122%0.21719%0.193CC..SBendtrans-76.7118.8176-167.9175.3-65.800109.8E723 M724 E730 R731E723-M726 WeakPolarHBondContact O-CB 3.43Å; E723-M726 PolarHBondContact O-N 2.91Å; E723-M726 VanDerWaalsContact O-N 3.15Å; M724-M726 PolarHBondContact O-N 2.81Å; M726-E730 HydrophobicContact CG-CB 4.2Å; M726-E730 HydrophobicContact CG-CG 4.16Å; M726-R731 HydrophobicContact CG-CB 4.05Å; M726-R731 HydrophobicContact SD-CB 3.8Å; M726-R731 HydrophobicContact SD-CG 4.09Å
727S95.3Very high87.2Confident0 Ų044 Ų440%023%0.225CC..  trans-69.6158.8175.368.10000111.7A671 G672 A674 E725 L729 E730 R731A671-S727 WeakPolarHBondContact O-CB 3.32Å; G672-S727 WeakPolarHBondContact O-CB 3.41Å; A674-S727 VanDerWaalsContact O-CB 3.3Å; A674-S727 WeakPolarHBondContact O-CB 3.37Å; E725-S727 PolarHBondContact O-N 2.53Å; S727-L729 VanDerWaalsContact C-N 3.25Å; S727-L729 PolarHBondContact O-N 2.77Å; S727-E730 PolarHBondContact O-N 3.37Å; S727-E730 VanDerWaalsContact OG-CB 3.27Å; S727-E730 WeakPolarHBondContact OG-CB 3.3Å; S727-E730 PolarHBondContact OG-N 3.48Å; S727-E730 VanDerWaalsContact OG-N 3.14Å; S727-R731 WeakPolarHBondContact O-CB 3.35Å; S727-R731 PolarHBondContact O-N 3.34Å
728L96.3Very high88.5Confident0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-56.3-42174.7177.659.6000111.5L498 E676 C679 L703 R731 L732L498-L728 HydrophobicContact CD2-CD1 4.06Å; L498-L728 HydrophobicContact CD2-CD2 4.27Å; E676-L728 HydrophobicContact CB-CB 4.26Å; E676-L728 HydrophobicContact CG-CB 4.03Å; E676-L728 HydrophobicContact CG-CD1 4.2Å; C679-L728 HydrophobicContact CB-CB 4.36Å; C679-L728 HydrophobicContact CB-CD2 3.97Å; L703-L728 HydrophobicContact CD1-CD2 3.94Å; L703-L728 HydrophobicContact CD1-CG 4Å; L728-R731 PolarHBondContact O-N 2.86Å; L728-L732 HydrophobicContact CD1-CD1 4.13Å; L728-L732 HydrophobicContact CD1-CG 4.11Å; L728-L732 HydrophobicContact CG-CD1 4.11Å; L728-L732 HydrophobicContact CG-CG 4.49Å; L728-L732 WeakPolarHBondContact O-CB 3.15Å; L728-L732 VanDerWaalsContact O-CG 3.22Å; L728-L732 WeakPolarHBondContact O-CG 3.47Å; L728-L732 PolarHBondContact O-N 2.93Å
729L96.1Very high89.5Confident0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-62-48.1178.6-178.9151.8000111.2A671 L703 P707 S727 L732 M733A671-L729 HydrophobicContact CB-CB 4.25Å; A671-L729 HydrophobicContact CB-CD1 4.1Å; L703-L729 HydrophobicContact CB-CD1 4.26Å; P707-L729 HydrophobicContact CB-CD2 4.18Å; P707-L729 HydrophobicContact CG-CD2 4.32Å; S727-L729 VanDerWaalsContact C-N 3.25Å; S727-L729 PolarHBondContact O-N 2.77Å; L729-L732 PolarHBondContact O-N 2.82Å; L729-M733 HydrophobicContact CD2-CG 4.49Å; L729-M733 HydrophobicContact CD2-SD 3.59Å; L729-M733 VanDerWaalsContact CD2-SD 3.59Å; L729-M733 HydrophobicContact CG-SD 4.37Å; L729-M733 WeakPolarHBondContact O-CG 3.33Å; L729-M733 PolarHBondContact O-N 3.38Å
730E95.3Very high90.1Very high36 Ų3644.9 Ų44.917%0.16822%0.219CC..Hα-helixtrans-65.2-41.4179.8-174.5168.3-168.500111.6P707 M726 S727 M733 T734 K928P707-E730 HydrophobicContact CB-CB 4.21Å; P707-E730 HydrophobicContact CB-CG 4.11Å; M726-E730 HydrophobicContact CG-CB 4.2Å; M726-E730 HydrophobicContact CG-CG 4.16Å; S727-E730 PolarHBondContact O-N 3.37Å; S727-E730 VanDerWaalsContact OG-CB 3.27Å; S727-E730 WeakPolarHBondContact OG-CB 3.3Å; S727-E730 PolarHBondContact OG-N 3.48Å; S727-E730 VanDerWaalsContact OG-N 3.14Å; E730-M733 PolarHBondContact O-N 2.68Å; E730-T734 WeakPolarHBondContact O-CB 3.28Å; E730-T734 PolarHBondContact O-N 2.9Å; E730-T734 PolarHBondContact O-OG1 3.44Å; E730-K928 VanDerWaalsContact CD-NZ 3.28Å; E730-K928 IonicContact OE1-NZ 3.2Å; E730-K928 PolarHBondContact OE1-NZ 2.96Å; E730-K928 IonicContact OE2-NZ 2.72Å; E730-K928 PolarHBondContact OE2-NZ 2.8Å
731R95.7Very high90.8Very high9 Ų945.2 Ų45.23%0.03422%0.219CC..Hα-helixtrans-62.4-43.2175.5-172.4177.662.8773.6112L498 E676 M726 S727 L728 T734 N735L498-R731 PolarHBondContact O-NH1 3.39Å; L498-R731 PolarHBondContact O-NH2 2.79Å; E676-R731 VanDerWaalsContact CD-NE 3.33Å; E676-R731 IonicContact OE1-CZ 2.78Å; E676-R731 VanDerWaalsContact OE1-CZ 3.22Å; E676-R731 IonicContact OE1-NE 3.91Å; E676-R731 PolarHBondContact OE1-NE 3.01Å; E676-R731 VanDerWaalsContact OE1-NE 3.15Å; E676-R731 IonicContact OE1-NH2 3.02Å; E676-R731 PolarHBondContact OE1-NH2 2.83Å; E676-R731 WeakPolarHBondContact OE2-CD 3.43Å; E676-R731 IonicContact OE2-CZ 3.21Å; E676-R731 IonicContact OE2-NE 2.66Å; E676-R731 PolarHBondContact OE2-NE 2.96Å; E676-R731 IonicContact OE2-NH2 2.8Å; M726-R731 HydrophobicContact CG-CB 4.05Å; M726-R731 HydrophobicContact SD-CB 3.8Å; M726-R731 HydrophobicContact SD-CG 4.09Å; S727-R731 WeakPolarHBondContact O-CB 3.35Å; S727-R731 PolarHBondContact O-N 3.34Å; L728-R731 PolarHBondContact O-N 2.86Å; R731-T734 PolarHBondContact O-N 2.85Å; R731-N735 HydrophobicContact CG-CB 4.49Å; R731-N735 VanDerWaalsContact O-CB 3.3Å; R731-N735 WeakPolarHBondContact O-CB 3.43Å; R731-N735 PolarHBondContact O-N 2.97Å
732L95.8Very high91.1Very high0 Ų044.8 Ų44.80%022%0.223CC..Hα-helixtrans-61.5-49.1177.8-72.3174.1000111.2P500 P544 L546 L703 L728 L729 T734 F736 Y739P500-L732 HydrophobicContact CG-CD2 3.86Å; P544-L732 HydrophobicContact CB-CD1 4.11Å; P544-L732 HydrophobicContact CG-CD1 3.91Å; L546-L732 HydrophobicContact CD1-CB 4.14Å; L546-L732 HydrophobicContact CD2-CD1 4.17Å; L703-L732 HydrophobicContact CD1-CD1 3.94Å; L728-L732 HydrophobicContact CD1-CD1 4.13Å; L728-L732 HydrophobicContact CD1-CG 4.11Å; L728-L732 HydrophobicContact CG-CD1 4.11Å; L728-L732 HydrophobicContact CG-CG 4.49Å; L728-L732 WeakPolarHBondContact O-CB 3.15Å; L728-L732 VanDerWaalsContact O-CG 3.22Å; L728-L732 WeakPolarHBondContact O-CG 3.47Å; L728-L732 PolarHBondContact O-N 2.93Å; L729-L732 PolarHBondContact O-N 2.82Å; L732-T734 VanDerWaalsContact C-N 3.32Å; L732-T734 PolarHBondContact O-N 3.03Å; L732-F736 HydrophobicContact CD2-CD2 3.97Å; L732-F736 HydrophobicContact CD2-CE2 4.03Å; L732-F736 PolarHBondContact O-N 2.96Å; L732-Y739 HydrophobicContact CB-CD2 3.96Å; L732-Y739 HydrophobicContact CB-CE2 3.98Å; L732-Y739 HydrophobicContact CD2-CE2 3.98Å; L732-Y739 HydrophobicContact CG-CE2 4.41Å; L732-Y739 WeakPolarHBondContact O-CD2 3.06Å
733M94.3Very high91.1Very high20 Ų2051.5 Ų51.510%0.09926%0.26CS..Hα-helixtrans-63.8-37.4178-68.5-176.971.100112.9L546 F548 P707 L729 E730 R740L546-M733 HydrophobicContact CD1-CG 3.57Å; L546-M733 HydrophobicContact CD1-SD 4.46Å; F548-M733 HydrophobicContact CB-CE 4.41Å; F548-M733 HydrophobicContact CB-SD 4.21Å; F548-M733 HydrophobicContact CD1-CE 3.59Å; F548-M733 HydrophobicContact CD1-SD 4.25Å; F548-M733 HydrophobicContact CD2-CE 3.71Å; F548-M733 HydrophobicContact CD2-SD 4.47Å; F548-M733 HydrophobicContact CE1-CE 3.59Å; F548-M733 HydrophobicContact CE2-CE 3.71Å; F548-M733 HydrophobicContact CG-CE 3.62Å; F548-M733 HydrophobicContact CG-SD 4.06Å; F548-M733 HydrophobicContact CZ-CE 3.63Å; P707-M733 HydrophobicContact CG-CE 4.1Å; P707-M733 HydrophobicContact CG-SD 3.83Å; L729-M733 HydrophobicContact CD2-CG 4.49Å; L729-M733 HydrophobicContact CD2-SD 3.59Å; L729-M733 VanDerWaalsContact CD2-SD 3.59Å; L729-M733 HydrophobicContact CG-SD 4.37Å; L729-M733 WeakPolarHBondContact O-CG 3.33Å; L729-M733 PolarHBondContact O-N 3.38Å; E730-M733 PolarHBondContact O-N 2.68Å; M733-R740 WeakPolarHBondContact O-CG 3.45Å
734T92.3Very high91Very high68 Ų6847.7 Ų47.742%0.41726%0.255SS..Hα-helixtrans-83.1-39.5-174.4-53.60000111.8E730 R731 L732 R740E730-T734 WeakPolarHBondContact O-CB 3.28Å; E730-T734 PolarHBondContact O-N 2.9Å; E730-T734 PolarHBondContact O-OG1 3.44Å; R731-T734 PolarHBondContact O-N 2.85Å; L732-T734 VanDerWaalsContact C-N 3.32Å; L732-T734 PolarHBondContact O-N 3.03Å; T734-R740 PolarHBondContact O-NE 2.88Å; T734-R740 PolarHBondContact O-NH2 2.81Å
735N92.3Very high90.9Very high80 Ų8052.2 Ų52.243%0.42828%0.283SS..Hα-helixtrans-104.4-16.6-165.6-64.71.6000114.4R731R731-N735 HydrophobicContact CG-CB 4.49Å; R731-N735 VanDerWaalsContact O-CB 3.3Å; R731-N735 WeakPolarHBondContact O-CB 3.43Å; R731-N735 PolarHBondContact O-N 2.97Å
736F92.8Very high91.1Very high28 Ų2850.4 Ų50.412%0.12327%0.273CS..  trans-114.1127.3-173.3-63.2-96000111.7F499 P500 L732 L738 Y739F499-F736 HydrophobicContact CB-CE1 4.12Å; F499-F736 HydrophobicContact CB-CZ 4.27Å; F499-F736 HydrophobicContact CD1-CE1 4.11Å; F499-F736 AromaticContact CD1-CZ 3.69Å; F499-F736 HydrophobicContact CD1-CZ 3.69Å; F499-F736 HydrophobicContact CE1-CZ 4.35Å; F499-F736 HydrophobicContact CG-CE1 4.48Å; F499-F736 HydrophobicContact CG-CZ 4.2Å; P500-F736 HydrophobicContact CG-CD1 4.27Å; P500-F736 HydrophobicContact CG-CG 4.48Å; P500-F736 WeakPolarHBondContact O-CD1 3.15Å; L732-F736 HydrophobicContact CD2-CD2 3.97Å; L732-F736 HydrophobicContact CD2-CE2 4.03Å; L732-F736 PolarHBondContact O-N 2.96Å; F736-L738 PolarHBondContact O-N 2.98Å; F736-L738 VanDerWaalsContact O-N 3.07Å; F736-Y739 HydrophobicContact CB-CD2 3.92Å; F736-Y739 HydrophobicContact CB-CE2 4.31Å; F736-Y739 PolarHBondContact O-N 3.45Å; F736-Y739 VanDerWaalsContact O-N 3.13Å
737P90.1Very high91.1Very high103 Ų10351.9 Ų51.967%0.66928%0.281SS*.G310 helixtrans-55-30-178.7-28.435.3000114.8Y739 R740P737-Y739 PolarHBondContact O-N 3.31Å; P737-Y739 VanDerWaalsContact O-N 3.16Å; P737-R740 PolarHBondContact O-N 3.13Å
738L90.1Very high90.9Very high16 Ų1654 Ų548%0.08429%0.293CS..G310 helixtrans-58.5-27.2179.9-71168.7000114.1P500 A502 F736 Y750P500-L738 HydrophobicContact CB-CD1 4.04Å; A502-L738 HydrophobicContact CB-CD2 3.97Å; A502-L738 HydrophobicContact CB-CG 4.41Å; F736-L738 PolarHBondContact O-N 2.98Å; F736-L738 VanDerWaalsContact O-N 3.07Å; L738-Y750 HydrophobicContact CB-CG 4.5Å; L738-Y750 HydrophobicContact CD1-CE1 4.4Å; L738-Y750 HydrophobicContact CD2-CD2 4.17Å; L738-Y750 HydrophobicContact CD2-CE1 4.27Å; L738-Y750 HydrophobicContact CD2-CE2 3.75Å
739Y93.2Very high90.6Very high1 Ų155.4 Ų55.40%0.00430%0.303CS..G310 helixtrans-111.42.1-175.6-53.6-75.9000113.2P500 P544 L546 L732 F736 P737 Y746 V751P500-Y739 HydrophobicContact CG-CE2 3.63Å; P544-Y739 WeakPolarHBondContact CD-OH 3.11Å; P544-Y739 WeakPolarHBondContact O-CE1 3.24Å; P544-Y739 PolarHBondContact O-OH 3.31Å; L546-Y739 HydrophobicContact CD1-CD1 3.34Å; L546-Y739 HydrophobicContact CD1-CD2 4.5Å; L546-Y739 HydrophobicContact CD1-CE1 3.74Å; L546-Y739 HydrophobicContact CD1-CG 3.76Å; L546-Y739 HydrophobicContact CG-CD1 3.68Å; L546-Y739 HydrophobicContact CG-CE1 3.65Å; L732-Y739 HydrophobicContact CB-CD2 3.96Å; L732-Y739 HydrophobicContact CB-CE2 3.98Å; L732-Y739 HydrophobicContact CD2-CE2 3.98Å; L732-Y739 HydrophobicContact CG-CE2 4.41Å; L732-Y739 WeakPolarHBondContact O-CD2 3.06Å; F736-Y739 HydrophobicContact CB-CD2 3.92Å; F736-Y739 HydrophobicContact CB-CE2 4.31Å; F736-Y739 PolarHBondContact O-N 3.45Å; F736-Y739 VanDerWaalsContact O-N 3.13Å; P737-Y739 PolarHBondContact O-N 3.31Å; P737-Y739 VanDerWaalsContact O-N 3.16Å; Y739-Y746 VanDerWaalsContact O-CE1 3.3Å; Y739-Y746 WeakPolarHBondContact O-CE1 3.27Å; Y739-V751 HydrophobicContact CD1-CB 4.15Å; Y739-V751 HydrophobicContact CD1-CG1 4.31Å
740R90.6Very high90.5Very high126 Ų12656.2 Ų56.248%0.47531%0.306SS..SBendtrans-89.6157.2175.4-67.7-176.6-174.7168.31.1110.4M733 T734 P737M733-R740 WeakPolarHBondContact O-CG 3.45Å; T734-R740 PolarHBondContact O-NE 2.88Å; T734-R740 PolarHBondContact O-NH2 2.81Å; P737-R740 PolarHBondContact O-N 3.13Å
741K88.3Confident90.5Very high55 Ų5554.5 Ų54.524%0.23930%0.298CS..  trans-65134.1170.5-71.3-179.5166.4-173.50109.4G744 V745 Y746 E774 E776K741-G744 WeakPolarHBondContact CD-O 3.39Å; K741-V745 WeakPolarHBondContact CA-O 3.28Å; K741-Y746 HydrophobicContact CD-CE2 4Å; K741-Y746 HydrophobicContact CG-CD1 4.06Å; K741-Y746 HydrophobicContact CG-CD2 3.95Å; K741-Y746 HydrophobicContact CG-CE1 3.73Å; K741-Y746 HydrophobicContact CG-CE2 3.59Å; K741-Y746 HydrophobicContact CG-CG 4.17Å; K741-Y746 VanDerWaalsContact CG-CZ 3.48Å; K741-E774 IonicContact NZ-OE1 2.93Å; K741-E774 PolarHBondContact NZ-OE1 3.34Å; K741-E774 IonicContact NZ-OE2 2.83Å; K741-E774 PolarHBondContact NZ-OE2 3.33Å; K741-E776 IonicContact NZ-OE1 3.99Å; K741-E776 PolarHBondContact NZ-OE1 2.95Å
742N82.3Confident90.5Very high123 Ų12354.2 Ų54.266%0.65830%0.297SS*.BIsolated β-bridgetrans-113.7126.8163.7-166.718.6000107.6G744 V745N742-G744 PolarHBondContact O-N 3.43Å; N742-G744 VanDerWaalsContact O-N 3.15Å; N742-V745 PolarHBondContact N-O 3.2Å; N742-V745 PolarHBondContact O-N 3.47Å; N742-V745 VanDerWaalsContact O-O 3.13Å
743D83.4Confident90.4Very high159 Ų15955.1 Ų55.185%0.8530%0.301SS*.THydrogen-bonded Turntrans48.838.8-172.3-59.1-39.9000113.9V745D743-V745 VanDerWaalsContact C-N 3.29Å; D743-V745 PolarHBondContact O-N 3.21Å
744G82.3Confident90.5Very high48 Ų4854.2 Ų54.250%0.49530%0.296SS..THydrogen-bonded Turntrans81-4.4179.400000115.6K741 N742K741-G744 WeakPolarHBondContact CD-O 3.39Å; N742-G744 PolarHBondContact O-N 3.43Å; N742-G744 VanDerWaalsContact O-N 3.15Å
745V86.3Confident90.6Very high99 Ų9952.5 Ų52.560%0.628%0.284SS*.BIsolated β-bridgetrans-117.3143.1-175.2-172.40000111.4K741 N742 D743K741-V745 WeakPolarHBondContact CA-O 3.28Å; N742-V745 PolarHBondContact N-O 3.2Å; N742-V745 PolarHBondContact O-N 3.47Å; N742-V745 VanDerWaalsContact O-O 3.13Å; D743-V745 VanDerWaalsContact C-N 3.29Å; D743-V745 PolarHBondContact O-N 3.21Å
746Y90.3Very high90.8Very high44 Ų4451.6 Ų51.617%0.17328%0.275CS..  trans-82.5148.6174.4-74.7-73.2000112F548 Y739 K741 N748 V751 K753F548-Y746 HydrophobicContact CE1-CD2 4.29Å; F548-Y746 HydrophobicContact CE1-CE1 4.22Å; F548-Y746 AromaticContact CE1-CE2 3.95Å; F548-Y746 HydrophobicContact CE1-CE2 3.95Å; F548-Y746 AromaticContact CE1-CZ 3.9Å; F548-Y746 HydrophobicContact CZ-CD2 4.26Å; F548-Y746 HydrophobicContact CZ-CE1 4.24Å; F548-Y746 AromaticContact CZ-CE2 3.52Å; F548-Y746 HydrophobicContact CZ-CE2 3.52Å; F548-Y746 AromaticContact CZ-CZ 3.5Å; F548-Y746 VanDerWaalsContact CZ-CZ 3.5Å; Y739-Y746 VanDerWaalsContact O-CE1 3.3Å; Y739-Y746 WeakPolarHBondContact O-CE1 3.27Å; K741-Y746 HydrophobicContact CD-CE2 4Å; K741-Y746 HydrophobicContact CG-CD1 4.06Å; K741-Y746 HydrophobicContact CG-CD2 3.95Å; K741-Y746 HydrophobicContact CG-CE1 3.73Å; K741-Y746 HydrophobicContact CG-CE2 3.59Å; K741-Y746 HydrophobicContact CG-CG 4.17Å; K741-Y746 VanDerWaalsContact CG-CZ 3.48Å; Y746-N748 PolarHBondContact O-N 3.39Å; Y746-V751 HydrophobicContact CD1-CG1 3.76Å; Y746-V751 HydrophobicContact CD1-CG2 4.33Å; Y746-V751 HydrophobicContact CG-CG1 4.23Å; Y746-K753 HydrophobicContact CD2-CB 4.17Å; Y746-K753 HydrophobicContact CE2-CB 4.28Å; Y746-K753 HydrophobicContact CE2-CD 4.05Å
747N90.4Very high90.8Very high74 Ų7450.3 Ų50.340%0.39627%0.27SS..  trans-79.2100.4169.6-172.9-13000110.3C749 Y750 V751N747-C749 PolarHBondContact O-N 3.24Å; N747-C749 VanDerWaalsContact OD1-CB 3.28Å; N747-C749 WeakPolarHBondContact OD1-CB 3.42Å; N747-C749 PolarHBondContact OD1-N 2.84Å; N747-C749 VanDerWaalsContact OD1-N 3.13Å; N747-Y750 HydrophobicContact CB-CD2 4.35Å; N747-Y750 PolarHBondContact O-N 3.12Å; N747-V751 PolarHBondContact O-N 3.03Å
748N90.7Very high90.9Very high45 Ų4550.1 Ų50.124%0.24126%0.256CS..THydrogen-bonded Turntrans-62.3-12.8-177.3-66.8-13000114.5Q530 H534 Y545 Y746 Y750 V751Q530-N748 VanDerWaalsContact CD-ND2 3.3Å; Q530-N748 HydrophobicContact CG-CB 4.41Å; Q530-N748 VanDerWaalsContact NE2-CB 3.32Å; Q530-N748 PolarHBondContact NE2-ND2 3.46Å; Q530-N748 PolarHBondContact OE1-ND2 2.86Å; H534-N748 PolarHBondContact CD2-O 3.36Å; H534-N748 PolarHBondContact NE2-O 3.31Å; Y545-N748 VanDerWaalsContact CE2-O 3.28Å; Y545-N748 WeakPolarHBondContact CE2-O 3.42Å; Y545-N748 PolarHBondContact OH-O 3.34Å; Y746-N748 PolarHBondContact O-N 3.39Å; N748-Y750 PolarHBondContact O-N 2.86Å; N748-V751 WeakPolarHBondContact CA-O 3.35Å; N748-V751 PolarHBondContact OD1-O 3.14Å
749C90.7Very high91Very high30 Ų3050.6 Ų50.620%0.20326%0.257CS..THydrogen-bonded Turntrans-65.9-22.6169.1-65.30000113.3S540 Y545 N747S540-C749 WeakPolarHBondContact CB-O 3.48Å; S540-C749 PolarHBondContact N-O 2.99Å; Y545-C749 WeakPolarHBondContact CE2-O 3.45Å; N747-C749 PolarHBondContact O-N 3.24Å; N747-C749 VanDerWaalsContact OD1-CB 3.28Å; N747-C749 WeakPolarHBondContact OD1-CB 3.42Å; N747-C749 PolarHBondContact OD1-N 2.84Å; N747-C749 VanDerWaalsContact OD1-N 3.13Å
750Y93.3Very high91.1Very high17 Ų1750.6 Ų50.67%0.06726%0.257CS..THydrogen-bonded Turntrans-121.6-34.6-177-64-82.7000113A543 Y545 L546 L738 N747 N748A543-Y750 HydrophobicContact CB-CD1 4.12Å; A543-Y750 HydrophobicContact CB-CE1 3.98Å; Y545-Y750 CarbonylContact C-O 3.39Å; Y545-Y750 WeakPolarHBondContact CA-O 3.17Å; L546-Y750 PolarHBondContact N-O 2.72Å; L738-Y750 HydrophobicContact CB-CG 4.5Å; L738-Y750 HydrophobicContact CD1-CE1 4.4Å; L738-Y750 HydrophobicContact CD2-CD2 4.17Å; L738-Y750 HydrophobicContact CD2-CE1 4.27Å; L738-Y750 HydrophobicContact CD2-CE2 3.75Å; N747-Y750 HydrophobicContact CB-CD2 4.35Å; N747-Y750 PolarHBondContact O-N 3.12Å; N748-Y750 PolarHBondContact O-N 2.86Å
751V94.8Very high91.3Very high0 Ų045.4 Ų45.40%024%0.238CC..EExtended strand (participates in β ladder)trans-144.7131.7-173.949.50000111.7L546 F548 Y739 Y746 N747 N748L546-V751 HydrophobicContact CB-CB 4.06Å; L546-V751 HydrophobicContact CB-CG2 4Å; L546-V751 CarbonylContact O-C 3.6Å; L546-V751 VanDerWaalsContact O-CA 3.28Å; L546-V751 WeakPolarHBondContact O-CA 3.42Å; F548-V751 HydrophobicContact CD1-CG2 3.47Å; F548-V751 VanDerWaalsContact CD1-CG2 3.47Å; F548-V751 HydrophobicContact CE1-CG2 3.5Å; F548-V751 VanDerWaalsContact CE1-CG2 3.5Å; Y739-V751 HydrophobicContact CD1-CB 4.15Å; Y739-V751 HydrophobicContact CD1-CG1 4.31Å; Y746-V751 HydrophobicContact CD1-CG1 3.76Å; Y746-V751 HydrophobicContact CD1-CG2 4.33Å; Y746-V751 HydrophobicContact CG-CG1 4.23Å; N747-V751 PolarHBondContact O-N 3.03Å; N748-V751 WeakPolarHBondContact CA-O 3.35Å; N748-V751 PolarHBondContact OD1-O 3.14Å
752T95.7Very high91.6Very high3 Ų345.2 Ų45.22%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-118126.4171.1-65.80000110.7E527 A531 Y545 L546 F548 L754E527-T752 HydrophobicContact CB-CG2 4.29Å; E527-T752 WeakPolarHBondContact O-CG2 3.33Å; A531-T752 HydrophobicContact CB-CG2 4.01Å; Y545-T752 PolarHBondContact OH-OG1 2.95Å; L546-T752 PolarHBondContact O-N 3.34Å; F548-T752 PolarHBondContact N-O 2.75Å; T752-L754 HydrophobicContact CG2-CD2 4.11Å
753K95.4Very high92.3Very high18 Ų1840 Ų408%0.07822%0.216CC..EExtended strand (participates in β ladder)trans-88.7123.1170.1-172.3177.1179.3-177.50109.6F548 Y746 L755 E776F548-K753 HydrophobicContact CD1-CB 4.29Å; F548-K753 HydrophobicContact CD2-CG 4.4Å; F548-K753 HydrophobicContact CE1-CB 3.54Å; F548-K753 HydrophobicContact CE1-CG 4.01Å; F548-K753 HydrophobicContact CE2-CB 4.16Å; F548-K753 HydrophobicContact CE2-CD 3.9Å; F548-K753 HydrophobicContact CE2-CG 3.65Å; F548-K753 HydrophobicContact CZ-CB 3.47Å; F548-K753 VanDerWaalsContact CZ-CB 3.47Å; F548-K753 HydrophobicContact CZ-CD 3.64Å; F548-K753 HydrophobicContact CZ-CG 3.43Å; F548-K753 VanDerWaalsContact CZ-CG 3.43Å; F548-K753 CarbonylContact O-C 3.51Å; F548-K753 WeakPolarHBondContact O-CA 3.45Å; Y746-K753 HydrophobicContact CD2-CB 4.17Å; Y746-K753 HydrophobicContact CE2-CB 4.28Å; Y746-K753 HydrophobicContact CE2-CD 4.05Å; K753-L755 HydrophobicContact CD-CD2 3.79Å; K753-L755 HydrophobicContact CG-CD2 3.89Å; K753-E776 WeakPolarHBondContact CE-OE2 3.34Å; K753-E776 IonicContact NZ-OE1 3.27Å; K753-E776 IonicContact NZ-OE2 2.65Å; K753-E776 PolarHBondContact NZ-OE2 2.76Å
754L95.8Very high92.9Very high1 Ų132.5 Ų32.51%0.00518%0.176CC..  trans-87.9126.4173.4-54.7-175.2000110.5E527 Q528 V547 F548 P550 T553 K555 T752E527-L754 HydrophobicContact CB-CD2 3.96Å; Q528-L754 HydrophobicContact CG-CD1 4.32Å; Q528-L754 HydrophobicContact CG-CD2 3.78Å; V547-L754 HydrophobicContact CG1-CD1 3.86Å; V547-L754 HydrophobicContact CG1-CD2 4.43Å; V547-L754 HydrophobicContact CG1-CG 4.08Å; F548-L754 PolarHBondContact O-N 2.7Å; P550-L754 WeakPolarHBondContact CD-O 3.24Å; T553-L754 WeakPolarHBondContact O-CD1 3.46Å; K555-L754 HydrophobicContact CB-CD1 4.44Å; K555-L754 HydrophobicContact CG-CD1 3.94Å; T752-L754 HydrophobicContact CG2-CD2 4.11Å
755L94.3Very high93.5Very high32 Ų3230.7 Ų30.717%0.16816%0.155CC..  trans-107.7-28.2-171.5-61179.3000114.7K753 N757 E776 L777 Q778K753-L755 HydrophobicContact CD-CD2 3.79Å; K753-L755 HydrophobicContact CG-CD2 3.89Å; L755-N757 PolarHBondContact O-N 2.73Å; L755-E776 HydrophobicContact CD2-CB 3.91Å; L755-L777 WeakPolarHBondContact O-CA 3.46Å; L755-L777 VanDerWaalsContact O-CD2 3.25Å; L755-L777 WeakPolarHBondContact O-CD2 3.49Å; L755-Q778 PolarHBondContact O-N 3.2Å
756R95.3Very high93.9Very high61 Ų6129.3 Ų29.323%0.2314%0.141CC..EExtended strand (participates in β ladder)trans-85.3114.3-174.8-63.6-173.9-177.4173.84.8111.2K524 T553 Y758 Q778 C780K524-R756 PolarHBondContact O-NH1 3.32Å; T553-R756 VanDerWaalsContact CA-O 3.25Å; T553-R756 WeakPolarHBondContact CA-O 3.2Å; R756-Y758 HydrophobicContact CB-CE2 3.72Å; R756-Y758 VanDerWaalsContact O-CD2 3.29Å; R756-Y758 WeakPolarHBondContact O-CD2 3.29Å; R756-Y758 VanDerWaalsContact O-CE2 3.31Å; R756-Y758 WeakPolarHBondContact O-CE2 3.38Å; R756-Q778 HydrophobicContact CG-CB 4.39Å; R756-C780 HydrophobicContact CB-CB 4.3Å
757N94.3Very high94.2Very high2 Ų227.6 Ų27.61%0.01114%0.135CC..EExtended strand (participates in β ladder)trans-89.1120.9176.7-177.4-72.2000111P551 L755 R759 S760 L765 Q778 C780 A781P551-N757 PolarHBondContact O-ND2 2.72Å; L755-N757 PolarHBondContact O-N 2.73Å; N757-R759 PolarHBondContact OD1-N 3.38Å; N757-S760 PolarHBondContact OD1-N 3.2Å; N757-L765 HydrophobicContact CB-CD1 3.78Å; N757-L765 VanDerWaalsContact CG-CD1 3.49Å; N757-L765 WeakPolarHBondContact OD1-CD1 3.46Å; N757-Q778 PolarHBondContact N-O 3.31Å; N757-C780 CarbonylContact O-C 3.43Å; N757-C780 WeakPolarHBondContact O-CA 3.49Å; N757-C780 PolarHBondContact O-N 2.62Å; N757-A781 PolarHBondContact O-N 2.8Å
758Y92.6Very high94.4Very high98 Ų9824.1 Ų24.138%0.38412%0.116SC..  trans-104.312.9-179.2-61.1-82.8000113.5N525 G552 R756 C780N525-Y758 PolarHBondContact ND2-OH 3.35Å; G552-Y758 PolarHBondContact O-N 2.91Å; R756-Y758 HydrophobicContact CB-CE2 3.72Å; R756-Y758 VanDerWaalsContact O-CD2 3.29Å; R756-Y758 WeakPolarHBondContact O-CD2 3.29Å; R756-Y758 VanDerWaalsContact O-CE2 3.31Å; R756-Y758 WeakPolarHBondContact O-CE2 3.38Å; Y758-C780 HydrophobicContact CD1-CB 3.77Å; Y758-C780 WeakPolarHBondContact CD1-O 3.39Å; Y758-C780 HydrophobicContact CE1-CB 3.62Å
759R91.8Very high94.6Very high27 Ų2723 Ų2310%0.10211%0.11CC..SBendtrans-106.1-55.6-171.8178.2-173.2-70176.9-5.3113.1N757 E897 T935 K938N757-R759 PolarHBondContact OD1-N 3.38Å; R759-E897 IonicContact CZ-OE2 3.54Å; R759-E897 IonicContact NE-OE2 2.67Å; R759-E897 PolarHBondContact NE-OE2 2.82Å; R759-E897 IonicContact NH2-OE2 2.86Å; R759-E897 PolarHBondContact NH2-OE2 2.84Å; R759-T935 WeakPolarHBondContact CD-O 3.3Å; R759-T935 PolarHBondContact NH1-O 3.07Å; R759-T935 VanDerWaalsContact NH1-O 3.08Å; R759-K938 HydrophobicContact CG-CG 3.85Å; R759-K938 WeakPolarHBondContact O-CA 3.18Å; R759-K938 WeakPolarHBondContact O-CB 3.42Å
760S94Very high94.8Very high0 Ų026.6 Ų26.60%012%0.124CC..SBendtrans-112.4151.6-155.5-60.60000112.7N757 A937 K938N757-S760 PolarHBondContact OD1-N 3.2Å; S760-A937 WeakPolarHBondContact CB-O 3.43Å; S760-A937 PolarHBondContact OG-O 3.42Å; S760-K938 CarbonylContact C-O 3.59Å; S760-K938 WeakPolarHBondContact CA-O 3.29Å
761H95.4Very high94.9Very high18 Ų1828.8 Ų28.88%0.08314%0.137CC..  trans-59.9142.5169.4-173.3-87.1000111.2A763 I764 L765 R786 N787 P801 K938H761-A763 VanDerWaalsContact C-N 3.26Å; H761-A763 VanDerWaalsContact ND1-CB 3.29Å; H761-A763 WeakPolarHBondContact ND1-CB 3.43Å; H761-A763 PolarHBondContact ND1-N 3.25Å; H761-A763 PolarHBondContact O-N 3.08Å; H761-I764 HydrophobicContact CB-CD1 3.97Å; H761-I764 HydrophobicContact CB-CG1 4.29Å; H761-I764 WeakPolarHBondContact O-CB 3.42Å; H761-I764 PolarHBondContact O-N 2.72Å; H761-L765 PolarHBondContact O-N 2.92Å; H761-R786 HydrophobicContact CB-CB 4.28Å; H761-R786 PolarHBondContact CD2-O 3.04Å; H761-N787 PolarHBondContact CD2-OD1 2.84Å; H761-N787 PolarHBondContact NE2-OD1 3.4Å; H761-P801 HydrophobicContact CB-CG 4.18Å; H761-P801 WeakPolarHBondContact ND1-CG 3.25Å; H761-K938 PolarHBondContact N-O 3.05Å
762P95.3Very high94.8Very high51 Ų5129.6 Ų29.633%0.33114%0.14SC..Hα-helixtrans-51.6-41.1-179.8-2732.2000114.1I764 L765 K766 A779P762-I764 VanDerWaalsContact C-N 3.25Å; P762-I764 PolarHBondContact O-N 3.2Å; P762-L765 PolarHBondContact O-N 2.74Å; P762-K766 PolarHBondContact O-N 3.11Å; P762-A779 HydrophobicContact CB-CB 4.18Å; P762-A779 HydrophobicContact CG-CB 3.78Å
763A96.3Very high94.7Very high12 Ų1229.8 Ų29.810%0.09914%0.14CC..Hα-helixtrans-60.7-31.1178.600000113.9H761 F800 V802 Y962H761-A763 VanDerWaalsContact C-N 3.26Å; H761-A763 VanDerWaalsContact ND1-CB 3.29Å; H761-A763 WeakPolarHBondContact ND1-CB 3.43Å; H761-A763 PolarHBondContact ND1-N 3.25Å; H761-A763 PolarHBondContact O-N 3.08Å; A763-F800 HydrophobicContact CB-CD2 3.98Å; A763-F800 HydrophobicContact CB-CE2 3.91Å; A763-V802 HydrophobicContact CB-CG2 4.13Å; A763-Y962 WeakPolarHBondContact CA-OH 3.37Å; A763-Y962 WeakPolarHBondContact O-CE1 3.45Å; A763-Y962 PolarHBondContact O-OH 3.12Å
764I96.2Very high94.5Very high3 Ų334.9 Ų34.92%0.01516%0.164CC..Hα-helixtrans-76.1-35.2176.5-62.1167.9000110.1H761 P762 P768 V802 V934 A937 L941H761-I764 HydrophobicContact CB-CD1 3.97Å; H761-I764 HydrophobicContact CB-CG1 4.29Å; H761-I764 WeakPolarHBondContact O-CB 3.42Å; H761-I764 PolarHBondContact O-N 2.72Å; P762-I764 VanDerWaalsContact C-N 3.25Å; P762-I764 PolarHBondContact O-N 3.2Å; I764-P768 WeakPolarHBondContact O-CD 3.48Å; I764-V802 HydrophobicContact CB-CG2 4.47Å; I764-V802 HydrophobicContact CG1-CG2 3.72Å; I764-V934 WeakPolarHBondContact CG2-O 3.3Å; I764-A937 HydrophobicContact CD1-CB 3.94Å; I764-A937 HydrophobicContact CG2-CB 4.41Å; I764-L941 HydrophobicContact CD1-CB 4.4Å; I764-L941 HydrophobicContact CG1-CB 4.21Å; I764-L941 HydrophobicContact CG2-CD2 4.35Å
765L94.7Very high94.3Very high9 Ų936.7 Ų36.75%0.04718%0.184CC..Hα-helixtrans-80.8-22.6-175.4-69.4174000114.3N757 H761 P762 I767 P768 N769 A779N757-L765 HydrophobicContact CB-CD1 3.78Å; N757-L765 VanDerWaalsContact CG-CD1 3.49Å; N757-L765 WeakPolarHBondContact OD1-CD1 3.46Å; H761-L765 PolarHBondContact O-N 2.92Å; P762-L765 PolarHBondContact O-N 2.74Å; L765-I767 PolarHBondContact O-N 2.86Å; L765-P768 WeakPolarHBondContact O-CD 3.4Å; L765-N769 WeakPolarHBondContact O-CB 3.22Å; L765-N769 PolarHBondContact O-N 2.92Å; L765-A779 HydrophobicContact CD1-CB 3.99Å
766K95.7Very high94.3Very high70 Ų7038.1 Ų38.130%0.30419%0.19SC..Hα-helixtrans-50-59.7-172.7-170.5-170.5-179.1-173.80112.5P762 N769 E770 Y962P762-K766 PolarHBondContact O-N 3.11Å; K766-N769 WeakPolarHBondContact O-CB 3.49Å; K766-N769 PolarHBondContact O-N 3.27Å; K766-E770 VanDerWaalsContact CE-OE1 3.25Å; K766-E770 WeakPolarHBondContact CE-OE1 3.32Å; K766-E770 VanDerWaalsContact CG-OE1 3.31Å; K766-E770 WeakPolarHBondContact CG-OE1 3.42Å; K766-E770 WeakPolarHBondContact O-CG 3.33Å; K766-E770 PolarHBondContact O-N 2.76Å; K766-Y962 HydrophobicContact CB-CE1 4.48Å; K766-Y962 HydrophobicContact CD-CD2 3.89Å; K766-Y962 HydrophobicContact CD-CE1 4.47Å; K766-Y962 HydrophobicContact CD-CE2 3.25Å; K766-Y962 HydrophobicContact CG-CE2 4.47Å
767I95.7Very high94.2Very high9 Ų936 Ų365%0.04618%0.183CC..Hα-helixtrans-65.4-48.8-175.5-63.9-67.4000112.6L765 N769 E770 L771 F930 F959 Y962L765-I767 PolarHBondContact O-N 2.86Å; I767-N769 VanDerWaalsContact C-N 3.25Å; I767-N769 PolarHBondContact O-N 3.07Å; I767-E770 PolarHBondContact O-N 3.41Å; I767-L771 HydrophobicContact CG2-CD1 3.5Å; I767-L771 VanDerWaalsContact CG2-CD1 3.5Å; I767-L771 HydrophobicContact CG2-CG 4.15Å; I767-L771 WeakPolarHBondContact O-CB 3.27Å; I767-L771 WeakPolarHBondContact O-CG 3.4Å; I767-L771 PolarHBondContact O-N 3.49Å; I767-F930 HydrophobicContact CG2-CE1 4.24Å; I767-F930 HydrophobicContact CG2-CZ 3.96Å; I767-F959 HydrophobicContact CB-CD2 4.36Å; I767-F959 HydrophobicContact CG1-CD2 4.34Å; I767-F959 HydrophobicContact CG2-CB 4.27Å; I767-F959 HydrophobicContact CG2-CD2 4.36Å; I767-Y962 HydrophobicContact CD1-CD1 4.07Å; I767-Y962 HydrophobicContact CD1-CG 3.85Å; I767-Y962 HydrophobicContact CG1-CD1 3.45Å; I767-Y962 VanDerWaalsContact CG1-CD1 3.45Å; I767-Y962 HydrophobicContact CG1-CE1 4.06Å; I767-Y962 HydrophobicContact CG1-CG 3.79Å
768P94.5Very high94.2Very high1 Ų140 Ų401%0.00620%0.201CC..Hα-helixtrans-58.5-36.3174.3-27.836.5000113.8I764 L765 F772 Y773 V934 T935I764-P768 WeakPolarHBondContact O-CD 3.48Å; L765-P768 WeakPolarHBondContact O-CD 3.4Å; P768-F772 HydrophobicContact CB-CD2 4.32Å; P768-F772 WeakPolarHBondContact O-CB 3.29Å; P768-F772 WeakPolarHBondContact O-CD2 3.19Å; P768-F772 PolarHBondContact O-N 3.09Å; P768-Y773 VanDerWaalsContact O-CD2 3.26Å; P768-Y773 WeakPolarHBondContact O-CD2 3.18Å; P768-V934 HydrophobicContact CG-CG2 3.43Å; P768-V934 VanDerWaalsContact CG-CG2 3.43Å; P768-T935 HydrophobicContact CB-CG2 3.86Å; P768-T935 HydrophobicContact CG-CG2 3.87Å
769N95.5Very high94.2Very high22 Ų2237.1 Ų37.112%0.11820%0.198CC..Hα-helixtrans-65.1-48179-173.126.3000111.9L765 K766 I767 Y773 E774 G775 E776 L777L765-N769 WeakPolarHBondContact O-CB 3.22Å; L765-N769 PolarHBondContact O-N 2.92Å; K766-N769 WeakPolarHBondContact O-CB 3.49Å; K766-N769 PolarHBondContact O-N 3.27Å; I767-N769 VanDerWaalsContact C-N 3.25Å; I767-N769 PolarHBondContact O-N 3.07Å; N769-Y773 CarbonylContact O-C 3.43Å; N769-Y773 VanDerWaalsContact O-C 3.26Å; N769-Y773 WeakPolarHBondContact O-CA 3.45Å; N769-Y773 PolarHBondContact O-N 3.5Å; N769-Y773 VanDerWaalsContact O-N 3.09Å; N769-E774 PolarHBondContact O-N 2.99Å; N769-G775 VanDerWaalsContact ND2-C 3.35Å; N769-G775 PolarHBondContact ND2-O 3Å; N769-G775 PolarHBondContact O-N 2.97Å; N769-G775 WeakPolarHBondContact OD1-CA 3.34Å; N769-E776 PolarHBondContact OD1-N 3.38Å; N769-L777 HydrophobicContact CB-CB 4.18Å; N769-L777 HydrophobicContact CB-CD1 4.15Å; N769-L777 VanDerWaalsContact CG-CB 3.45Å; N769-L777 PolarHBondContact ND2-O 3.43Å; N769-L777 WeakPolarHBondContact OD1-CB 3.45Å; N769-L777 WeakPolarHBondContact OD1-CG 3.32Å; N769-L777 PolarHBondContact OD1-N 3.02Å
770E95.3Very high94.3Very high104 Ų10438.2 Ų38.249%0.48621%0.209SC..Hα-helixtrans-65.5-44.9179.3-70.9167.4-175.800111.5K766 I767K766-E770 VanDerWaalsContact CE-OE1 3.25Å; K766-E770 WeakPolarHBondContact CE-OE1 3.32Å; K766-E770 VanDerWaalsContact CG-OE1 3.31Å; K766-E770 WeakPolarHBondContact CG-OE1 3.42Å; K766-E770 WeakPolarHBondContact O-CG 3.33Å; K766-E770 PolarHBondContact O-N 2.76Å; I767-E770 PolarHBondContact O-N 3.41Å
771L94.1Very high94Very high64 Ų6438.5 Ų38.534%0.33521%0.212SC..Hα-helixtrans-76.8-39-174.7-64.6178.4000114.1I767 F930 N955I767-L771 HydrophobicContact CG2-CD1 3.5Å; I767-L771 VanDerWaalsContact CG2-CD1 3.5Å; I767-L771 HydrophobicContact CG2-CG 4.15Å; I767-L771 WeakPolarHBondContact O-CB 3.27Å; I767-L771 WeakPolarHBondContact O-CG 3.4Å; I767-L771 PolarHBondContact O-N 3.49Å; L771-F930 HydrophobicContact CD1-CE1 4.07Å; L771-N955 HydrophobicContact CD1-CB 3.95Å
772F92.6Very high93.7Very high16 Ų1643.7 Ų43.77%0.0724%0.236CC..Hα-helixtrans-113.1-18.5-169.5-55.8-62.8000114.7K708 P768 E927 F930 N931K708-F772 HydrophobicContact CB-CB 4.31Å; K708-F772 HydrophobicContact CG-CB 4.4Å; P768-F772 HydrophobicContact CB-CD2 4.32Å; P768-F772 WeakPolarHBondContact O-CB 3.29Å; P768-F772 WeakPolarHBondContact O-CD2 3.19Å; P768-F772 PolarHBondContact O-N 3.09Å; F772-E927 HydrophobicContact CE1-CB 3.83Å; F772-E927 HydrophobicContact CZ-CB 4.28Å; F772-F930 AromaticContact CE2-CD1 3.58Å; F772-F930 HydrophobicContact CE2-CD1 3.58Å; F772-F930 AromaticContact CE2-CE1 3.77Å; F772-F930 HydrophobicContact CE2-CE1 3.77Å; F772-F930 AromaticContact CZ-CD1 3.7Å; F772-F930 HydrophobicContact CZ-CD1 3.7Å; F772-F930 HydrophobicContact CZ-CE1 4.18Å; F772-N931 HydrophobicContact CD2-CB 3.77Å; F772-N931 HydrophobicContact CE2-CB 3.65Å; F772-N931 HydrophobicContact CG-CB 4.38Å; F772-N931 HydrophobicContact CZ-CB 4.17Å
773Y93Very high93.3Very high7 Ų747.4 Ų47.43%0.02725%0.249CC..SBendtrans-132.320.1-166-52.6-62.5000114.2P550 D706 K708 P768 N769 G775 E776 L777 N931P550-Y773 HydrophobicContact CB-CD1 4.34Å; P550-Y773 HydrophobicContact CB-CD2 4.04Å; P550-Y773 HydrophobicContact CB-CE1 3.97Å; P550-Y773 HydrophobicContact CB-CE2 3.63Å; P550-Y773 HydrophobicContact CB-CG 4.35Å; P550-Y773 HydrophobicContact CG-CD1 3.36Å; P550-Y773 HydrophobicContact CG-CD2 3.7Å; P550-Y773 HydrophobicContact CG-CE1 3.36Å; P550-Y773 HydrophobicContact CG-CE2 3.69Å; P550-Y773 HydrophobicContact CG-CG 3.51Å; P550-Y773 VanDerWaalsContact CG-CZ 3.47Å; D706-Y773 PolarHBondContact OD2-OH 3.27Å; K708-Y773 HydrophobicContact CB-CE1 3.73Å; K708-Y773 HydrophobicContact CG-CD1 4.4Å; K708-Y773 HydrophobicContact CG-CE1 3.8Å; P768-Y773 VanDerWaalsContact O-CD2 3.26Å; P768-Y773 WeakPolarHBondContact O-CD2 3.18Å; N769-Y773 CarbonylContact O-C 3.43Å; N769-Y773 VanDerWaalsContact O-C 3.26Å; N769-Y773 WeakPolarHBondContact O-CA 3.45Å; N769-Y773 PolarHBondContact O-N 3.5Å; N769-Y773 VanDerWaalsContact O-N 3.09Å; Y773-G775 PolarHBondContact O-N 2.8Å; Y773-E776 PolarHBondContact O-N 3.5Å; Y773-E776 VanDerWaalsContact O-N 3.12Å; Y773-L777 HydrophobicContact CD2-CD1 3.56Å; Y773-L777 HydrophobicContact CD2-CG 4.36Å; Y773-L777 HydrophobicContact CE2-CD1 4.22Å; Y773-L777 HydrophobicContact CG-CD1 4.06Å; Y773-L777 HydrophobicContact CG-CG 4.38Å; Y773-N931 PolarHBondContact OH-ND2 2.89Å
774E91.4Very high92.8Very high125 Ų12554.4 Ų54.458%0.58427%0.274SS*.THydrogen-bonded Turntrans61.520.9172.4-56.7167.2-120.700113.6K741 N769 E776K741-E774 IonicContact NZ-OE1 2.93Å; K741-E774 PolarHBondContact NZ-OE1 3.34Å; K741-E774 IonicContact NZ-OE2 2.83Å; K741-E774 PolarHBondContact NZ-OE2 3.33Å; N769-E774 PolarHBondContact O-N 2.99Å; E774-E776 HydrophobicContact CB-CG 4.18Å; E774-E776 PolarHBondContact O-N 3.46Å
775G93.3Very high92.2Very high40 Ų4056.7 Ų56.741%0.41229%0.29SS..THydrogen-bonded Turntrans72.35.1-175.300000114.5N769 Y773 L777N769-G775 VanDerWaalsContact ND2-C 3.35Å; N769-G775 PolarHBondContact ND2-O 3Å; N769-G775 PolarHBondContact O-N 2.97Å; N769-G775 WeakPolarHBondContact OD1-CA 3.34Å; Y773-G775 PolarHBondContact O-N 2.8Å; G775-L777 PolarHBondContact O-N 3.1Å
776E92.6Very high91.7Very high62 Ų6258.4 Ų58.429%0.2930%0.296SS..  trans-77.7-14.9-172.9-63.9177.3-171.100114.2K741 K753 L755 N769 Y773 E774K741-E776 IonicContact NZ-OE1 3.99Å; K741-E776 PolarHBondContact NZ-OE1 2.95Å; K753-E776 WeakPolarHBondContact CE-OE2 3.34Å; K753-E776 IonicContact NZ-OE1 3.27Å; K753-E776 IonicContact NZ-OE2 2.65Å; K753-E776 PolarHBondContact NZ-OE2 2.76Å; L755-E776 HydrophobicContact CD2-CB 3.91Å; N769-E776 PolarHBondContact OD1-N 3.38Å; Y773-E776 PolarHBondContact O-N 3.5Å; Y773-E776 VanDerWaalsContact O-N 3.12Å; E774-E776 HydrophobicContact CB-CG 4.18Å; E774-E776 PolarHBondContact O-N 3.46Å
777L93Very high91.4Very high17 Ų1757.5 Ų57.59%0.08930%0.295CS..  trans-68.5139.4-177.8-71.2174000113.2P550 T553 L755 N769 Y773 G775P550-L777 HydrophobicContact CB-CD1 3.71Å; P550-L777 HydrophobicContact CB-CD2 3.85Å; P550-L777 HydrophobicContact CB-CG 4.31Å; P550-L777 HydrophobicContact CG-CD1 3.71Å; P550-L777 HydrophobicContact CG-CD2 3.38Å; P550-L777 HydrophobicContact CG-CG 3.85Å; T553-L777 HydrophobicContact CG2-CD2 4.03Å; L755-L777 WeakPolarHBondContact O-CA 3.46Å; L755-L777 VanDerWaalsContact O-CD2 3.25Å; L755-L777 WeakPolarHBondContact O-CD2 3.49Å; N769-L777 HydrophobicContact CB-CB 4.18Å; N769-L777 HydrophobicContact CB-CD1 4.15Å; N769-L777 VanDerWaalsContact CG-CB 3.45Å; N769-L777 PolarHBondContact ND2-O 3.43Å; N769-L777 WeakPolarHBondContact OD1-CB 3.45Å; N769-L777 WeakPolarHBondContact OD1-CG 3.32Å; N769-L777 PolarHBondContact OD1-N 3.02Å; Y773-L777 HydrophobicContact CD2-CD1 3.56Å; Y773-L777 HydrophobicContact CD2-CG 4.36Å; Y773-L777 HydrophobicContact CE2-CD1 4.22Å; Y773-L777 HydrophobicContact CG-CD1 4.06Å; Y773-L777 HydrophobicContact CG-CG 4.38Å; G775-L777 PolarHBondContact O-N 3.1Å
778Q94.3Very high91Very high84 Ų8458.5 Ų58.539%0.39330%0.299SS..EExtended strand (participates in β ladder)trans-113.1124.6180-60.817117.400110.5L755 R756 N757 C780L755-Q778 PolarHBondContact O-N 3.2Å; R756-Q778 HydrophobicContact CG-CB 4.39Å; N757-Q778 PolarHBondContact N-O 3.31Å; Q778-C780 PolarHBondContact O-N 2.86Å
779A93.2Very high90.7Very high39 Ų3958.7 Ų58.732%0.32230%0.299SS..EExtended strand (participates in β ladder)trans-80.796.3179.600000111.9P762 L765 R786P762-A779 HydrophobicContact CB-CB 4.18Å; P762-A779 HydrophobicContact CG-CB 3.78Å; L765-A779 HydrophobicContact CD1-CB 3.99Å; A779-R786 PolarHBondContact O-NH1 2.71Å
780C93.2Very high90.4Very high49 Ų4958.4 Ų58.433%0.33130%0.299SS..  trans-107.310.2-178.9-59.40000113.7R756 N757 Y758 Q778R756-C780 HydrophobicContact CB-CB 4.3Å; N757-C780 CarbonylContact O-C 3.43Å; N757-C780 WeakPolarHBondContact O-CA 3.49Å; N757-C780 PolarHBondContact O-N 2.62Å; Y758-C780 HydrophobicContact CD1-CB 3.77Å; Y758-C780 WeakPolarHBondContact CD1-O 3.39Å; Y758-C780 HydrophobicContact CE1-CB 3.62Å; Q778-C780 PolarHBondContact O-N 2.86Å
781A89.3Confident90Very high7 Ų764.6 Ų64.66%0.05832%0.318CS..SBendtrans-58.7145.717500000111.5N757 E783 R786N757-A781 PolarHBondContact O-N 2.8Å; A781-E783 PolarHBondContact O-N 2.77Å; A781-R786 HydrophobicContact CB-CB 4.19Å; A781-R786 WeakPolarHBondContact O-CD 3.35Å; A781-R786 PolarHBondContact O-NH1 3.38Å
782E88.8Confident89.7Confident127 Ų12762 Ų6259%0.59330%0.304SS*.  trans-57.3129.2178.5-175.8-166.7-160.400111.1Y784 S785 R786E782-Y784 PolarHBondContact O-N 2.81Å; E782-S785 PolarHBondContact O-N 2.8Å; E782-S785 WeakPolarHBondContact OE2-CB 3.14Å; E782-S785 PolarHBondContact OE2-OG 2.7Å; E782-R786 WeakPolarHBondContact O-CG 3.5Å; E782-R786 PolarHBondContact O-N 3.04Å
783E86.8Confident89.5Confident128 Ų12866.3 Ų66.360%0.59832%0.324SS*.Hα-helixtrans-62-43.7-169.4-168.5172.8-169.800113.2A781 N787A781-E783 PolarHBondContact O-N 2.77Å; E783-N787 WeakPolarHBondContact CG-ND2 3.41Å; E783-N787 VanDerWaalsContact O-CB 3.22Å; E783-N787 WeakPolarHBondContact O-CB 3.41Å; E783-N787 VanDerWaalsContact O-CG 3.3Å; E783-N787 PolarHBondContact O-N 2.84Å; E783-N787 PolarHBondContact O-ND2 2.91Å
784Y84.9Confident89.4Confident159 Ų15970.5 Ų70.562%0.62434%0.34SS*.Hα-helixtrans-61.2-47.2177.2178.3-98.7000111.9E782 F788E782-Y784 PolarHBondContact O-N 2.81Å; Y784-F788 PolarHBondContact O-N 2.76Å
785S84Confident89.4Confident51 Ų5165.2 Ų65.236%0.35732%0.316SS..Hα-helixtrans-66.9-40.4-178.2-72.50000112.6E782 F788 A939E782-S785 PolarHBondContact O-N 2.8Å; E782-S785 WeakPolarHBondContact OE2-CB 3.14Å; E782-S785 PolarHBondContact OE2-OG 2.7Å; S785-F788 WeakPolarHBondContact O-CB 3.38Å; S785-A939 WeakPolarHBondContact O-CB 3.44Å
786R84.5Confident89.3Confident46 Ų4666 Ų6617%0.17431%0.313CS..Hα-helixtrans-79.3-33.1-177.479.7-170.5-177-176.9-0.5113.3H761 A779 A781 E782 F788H761-R786 HydrophobicContact CB-CB 4.28Å; H761-R786 PolarHBondContact CD2-O 3.04Å; A779-R786 PolarHBondContact O-NH1 2.71Å; A781-R786 HydrophobicContact CB-CB 4.19Å; A781-R786 WeakPolarHBondContact O-CD 3.35Å; A781-R786 PolarHBondContact O-NH1 3.38Å; E782-R786 WeakPolarHBondContact O-CG 3.5Å; E782-R786 PolarHBondContact O-N 3.04Å; R786-F788 VanDerWaalsContact C-N 3.25Å; R786-F788 PolarHBondContact O-N 3.23Å
787N89.8Confident89.3Confident51 Ų5167 Ų6727%0.27332%0.317SS..SBendtrans-86.85-178.4-66.1-14.5000113.1H761 E783 Y789 C790H761-N787 PolarHBondContact CD2-OD1 2.84Å; H761-N787 PolarHBondContact NE2-OD1 3.4Å; E783-N787 WeakPolarHBondContact CG-ND2 3.41Å; E783-N787 VanDerWaalsContact O-CB 3.22Å; E783-N787 WeakPolarHBondContact O-CB 3.41Å; E783-N787 VanDerWaalsContact O-CG 3.3Å; E783-N787 PolarHBondContact O-N 2.84Å; E783-N787 PolarHBondContact O-ND2 2.91Å; N787-Y789 PolarHBondContact O-N 2.89Å; N787-Y789 VanDerWaalsContact O-N 3.08Å; N787-C790 WeakPolarHBondContact O-CB 3.46Å; N787-C790 PolarHBondContact O-N 2.85Å
788F86.3Confident89.1Confident30 Ų3071.3 Ų71.313%0.13235%0.346CS..THydrogen-bonded Turntrans-51.9-36.9-171.9-166.5-86.6000113.9Y784 S785 R786 V845 A846 A939Y784-F788 PolarHBondContact O-N 2.76Å; S785-F788 WeakPolarHBondContact O-CB 3.38Å; R786-F788 VanDerWaalsContact C-N 3.25Å; R786-F788 PolarHBondContact O-N 3.23Å; F788-V845 HydrophobicContact CE1-CG1 4Å; F788-V845 HydrophobicContact CZ-CG1 4.44Å; F788-A846 HydrophobicContact CE2-CB 3.79Å; F788-A846 HydrophobicContact CZ-CB 3.66Å; F788-A846 VanDerWaalsContact CZ-O 3.32Å; F788-A846 WeakPolarHBondContact CZ-O 3.39Å; F788-A939 HydrophobicContact CB-CB 4.18Å
789Y89Confident89Confident4 Ų469.3 Ų69.32%0.01635%0.348CS..THydrogen-bonded Turntrans-99.9-0.8-178.2-78.4-77.9000114.5N787 R791 W792 L795 L836 I848 R899 V900 A939 L940N787-Y789 PolarHBondContact O-N 2.89Å; N787-Y789 VanDerWaalsContact O-N 3.08Å; Y789-R791 PolarHBondContact O-N 2.81Å; Y789-W792 HydrophobicContact CD1-CB 3.93Å; Y789-W792 HydrophobicContact CD1-CD2 4.22Å; Y789-W792 AromaticContact CD1-CG 3.95Å; Y789-W792 HydrophobicContact CD1-CG 3.95Å; Y789-W792 HydrophobicContact CE1-CG 4.49Å; Y789-W792 WeakPolarHBondContact O-CB 3.39Å; Y789-W792 PolarHBondContact O-N 3.06Å; Y789-L795 WeakPolarHBondContact O-CD1 3.16Å; Y789-L836 HydrophobicContact CD1-CD2 4.31Å; Y789-L836 HydrophobicContact CE1-CD2 3.66Å; Y789-I848 HydrophobicContact CE2-CD1 4.42Å; Y789-I848 WeakPolarHBondContact OH-CB 3.42Å; Y789-I848 WeakPolarHBondContact OH-CD1 3.15Å; Y789-R899 HydrophobicContact CE2-CG 4.07Å; Y789-V900 HydrophobicContact CD2-CG2 3.99Å; Y789-V900 HydrophobicContact CE1-CG2 4.48Å; Y789-V900 HydrophobicContact CE2-CG2 3.33Å; Y789-A939 HydrophobicContact CD2-CB 3.93Å; Y789-L940 HydrophobicContact CD1-CD2 3.83Å; Y789-L940 HydrophobicContact CD2-CB 3.85Å; Y789-L940 HydrophobicContact CD2-CD2 4.42Å; Y789-L940 HydrophobicContact CE1-CD2 4.38Å; Y789-L940 HydrophobicContact CG-CB 3.87Å; Y789-L940 HydrophobicContact CG-CD2 3.89Å; Y789-L940 HydrophobicContact CG-CG 4.47Å
790C88.7Confident89.1Confident17 Ų1768 Ų6812%0.11534%0.335CS..THydrogen-bonded Turntrans-62.2-19.3-176.6-69.20000114N787 G799N787-C790 WeakPolarHBondContact O-CB 3.46Å; N787-C790 PolarHBondContact O-N 2.85Å; C790-G799 PolarHBondContact O-N 2.88Å
791R86.4Confident89.2Confident234 Ų23465.6 Ų65.688%0.88332%0.319SS*.THydrogen-bonded Turntrans-108.713.2176.2-61.4-177.1-177.4171.31.2113.4Y789 E793Y789-R791 PolarHBondContact O-N 2.81Å; R791-E793 PolarHBondContact O-N 2.97Å
792W89.5Confident89.6Confident10 Ų1065.3 Ų65.34%0.03832%0.316CS..  trans-68.1127.9179.5-17551.6000110.2Y789 Y794 L795 I803 Y832 K835 L836 S839 L940 I942Y789-W792 HydrophobicContact CD1-CB 3.93Å; Y789-W792 HydrophobicContact CD1-CD2 4.22Å; Y789-W792 AromaticContact CD1-CG 3.95Å; Y789-W792 HydrophobicContact CD1-CG 3.95Å; Y789-W792 HydrophobicContact CE1-CG 4.49Å; Y789-W792 WeakPolarHBondContact O-CB 3.39Å; Y789-W792 PolarHBondContact O-N 3.06Å; W792-Y794 AromaticContact CE2-CD2 3.76Å; W792-Y794 AromaticContact CZ2-CD2 3.88Å; W792-Y794 HydrophobicContact CZ2-CD2 3.88Å; W792-Y794 HydrophobicContact CZ2-CG 4.3Å; W792-Y794 AromaticContact NE1-CD2 3.71Å; W792-Y794 PolarHBondContact O-N 3.3Å; W792-Y794 VanDerWaalsContact O-N 3.11Å; W792-L795 HydrophobicContact CB-CG 4.22Å; W792-L795 HydrophobicContact CE3-CD2 4.04Å; W792-L795 HydrophobicContact CE3-CG 4.19Å; W792-L795 WeakPolarHBondContact O-CB 3.44Å; W792-L795 PolarHBondContact O-N 2.84Å; W792-I803 HydrophobicContact CZ3-CD1 4.21Å; W792-Y832 HydrophobicContact CH2-CD1 4.08Å; W792-K835 HydrophobicContact CH2-CB 4.35Å; W792-K835 HydrophobicContact CZ2-CB 3.77Å; W792-L836 HydrophobicContact CD2-CD2 4.44Å; W792-L836 HydrophobicContact CH2-CD2 3.75Å; W792-L836 HydrophobicContact CH2-CG 3.91Å; W792-L836 HydrophobicContact CZ2-CD2 3.5Å; W792-L836 HydrophobicContact CZ2-CG 3.72Å; W792-L836 HydrophobicContact CZ3-CD2 4.32Å; W792-S839 PolarHBondContact NE1-OG 3.32Å; W792-L940 HydrophobicContact CE3-CD2 3.84Å; W792-L940 HydrophobicContact CH2-CD2 4.45Å; W792-L940 HydrophobicContact CZ3-CD2 3.76Å; W792-I942 HydrophobicContact CH2-CD1 4.35Å; W792-I942 HydrophobicContact CZ3-CD1 4.23Å
793E87.6Confident90Very high105 Ų10559.2 Ų59.249%0.49129%0.288SS..THydrogen-bonded Turntrans-67.8-14-168.368-167.1163.400114.7R791 K843R791-E793 PolarHBondContact O-N 2.97Å; E793-K843 IonicContact OE2-NZ 3.48Å; E793-K843 PolarHBondContact OE2-NZ 2.83Å
794Y90.6Very high90.6Very high96 Ų9653.1 Ų53.138%0.37626%0.26SS..THydrogen-bonded Turntrans-985.9176.5-59.3-76.3000113.3W792 K835W792-Y794 AromaticContact CE2-CD2 3.76Å; W792-Y794 AromaticContact CZ2-CD2 3.88Å; W792-Y794 HydrophobicContact CZ2-CD2 3.88Å; W792-Y794 HydrophobicContact CZ2-CG 4.3Å; W792-Y794 AromaticContact NE1-CD2 3.71Å; W792-Y794 PolarHBondContact O-N 3.3Å; W792-Y794 VanDerWaalsContact O-N 3.11Å; Y794-K835 HydrophobicContact CD1-CD 3.76Å; Y794-K835 HydrophobicContact CD1-CG 4.13Å; Y794-K835 HydrophobicContact CD2-CB 3.87Å; Y794-K835 HydrophobicContact CD2-CD 4.37Å; Y794-K835 HydrophobicContact CD2-CG 4.13Å; Y794-K835 HydrophobicContact CE1-CD 4.1Å; Y794-K835 HydrophobicContact CE1-CG 4.06Å; Y794-K835 HydrophobicContact CE2-CB 3.98Å; Y794-K835 HydrophobicContact CE2-CG 4.06Å; Y794-K835 HydrophobicContact CG-CB 4.23Å; Y794-K835 HydrophobicContact CG-CD 3.9Å; Y794-K835 HydrophobicContact CG-CG 4.15Å
795L91.9Very high91.1Very high14 Ų1446.9 Ų46.97%0.07324%0.236CC..  trans-68.6133.6167.6-73.8-176.9000109.8Y789 W792 K797 I803 L940Y789-L795 WeakPolarHBondContact O-CD1 3.16Å; W792-L795 HydrophobicContact CB-CG 4.22Å; W792-L795 HydrophobicContact CE3-CD2 4.04Å; W792-L795 HydrophobicContact CE3-CG 4.19Å; W792-L795 WeakPolarHBondContact O-CB 3.44Å; W792-L795 PolarHBondContact O-N 2.84Å; L795-K797 PolarHBondContact O-N 2.86Å; L795-I803 HydrophobicContact CD2-CD1 4.02Å; L795-I803 HydrophobicContact CD2-CG1 4.2Å; L795-L940 HydrophobicContact CD2-CD1 3.88Å
796P91.1Very high91.5Very high55 Ų5544.5 Ų44.536%0.35722%0.219SC..SBendtrans-57.7-37.9173.3-2636.2000112.6I803 G967 S970P796-I803 HydrophobicContact CG-CD1 4.46Å; P796-I803 HydrophobicContact CG-CG1 4.25Å; P796-I803 HydrophobicContact CG-CG2 4.44Å; P796-G967 WeakPolarHBondContact CB-O 3.46Å; P796-S970 WeakPolarHBondContact CG-OG 3.45Å
797K91.7Very high91.8Very high83 Ų8342.4 Ų42.436%0.36121%0.212SC..SBendtrans-129.3124.4173.5-178.1-175.4179.9-175.80110.7L795 G799 F800 E966 G967L795-K797 PolarHBondContact O-N 2.86Å; K797-G799 PolarHBondContact O-N 2.79Å; K797-F800 HydrophobicContact CB-CB 4.34Å; K797-F800 HydrophobicContact CD-CB 4.32Å; K797-F800 PolarHBondContact O-N 2.69Å; K797-E966 WeakPolarHBondContact CD-O 3.27Å; K797-E966 WeakPolarHBondContact CE-O 2.86Å; K797-E966 PolarHBondContact NZ-O 3.16Å; K797-E966 IonicContact NZ-OE2 2.8Å; K797-E966 PolarHBondContact NZ-OE2 3.07Å; K797-G967 WeakPolarHBondContact CB-O 3.38Å
798P90.3Very high91.4Very high109 Ų10940.4 Ų40.471%0.70820%0.202SC*.THydrogen-bonded Turntrans-56.7137.3172-24.834.4000111.8F800P798-F800 VanDerWaalsContact C-N 3.34Å
799G91Very high90.9Very high42 Ų4239.2 Ų39.243%0.43320%0.198SC..THydrogen-bonded Turntrans88.5-10.7-178.900000115.4C790 K797 P801C790-G799 PolarHBondContact O-N 2.88Å; K797-G799 PolarHBondContact O-N 2.79Å; G799-P801 WeakPolarHBondContact O-CD 2.83Å
800F95.9Very high90.3Very high10 Ų1042.5 Ų42.54%0.04422%0.216CC..  trans-114.593.3-178.5-171.6-105.9000111.2A763 K797 P798 V802 Y962 E966A763-F800 HydrophobicContact CB-CD2 3.98Å; A763-F800 HydrophobicContact CB-CE2 3.91Å; K797-F800 HydrophobicContact CB-CB 4.34Å; K797-F800 HydrophobicContact CD-CB 4.32Å; K797-F800 PolarHBondContact O-N 2.69Å; P798-F800 VanDerWaalsContact C-N 3.34Å; F800-V802 HydrophobicContact CD1-CB 4.26Å; F800-V802 WeakPolarHBondContact CD1-O 3.2Å; F800-V802 HydrophobicContact CE1-CB 3.66Å; F800-V802 HydrophobicContact CE1-CG1 4.41Å; F800-V802 WeakPolarHBondContact CE1-O 3.46Å; F800-V802 HydrophobicContact CZ-CB 3.84Å; F800-V802 HydrophobicContact CZ-CG2 4.42Å; F800-V802 PolarHBondContact O-N 2.72Å; F800-Y962 HydrophobicContact CE2-CE1 4.04Å; F800-Y962 HydrophobicContact CE2-CE2 4.16Å; F800-Y962 AromaticContact CE2-CZ 3.61Å; F800-Y962 WeakPolarHBondContact CE2-OH 3.5Å; F800-Y962 HydrophobicContact CZ-CD1 4.36Å; F800-Y962 AromaticContact CZ-CE1 3.77Å; F800-Y962 HydrophobicContact CZ-CE1 3.77Å; F800-Y962 HydrophobicContact CZ-CE2 4.36Å; F800-Y962 AromaticContact CZ-CZ 3.8Å; F800-E966 HydrophobicContact CD1-CB 4.37Å; F800-E966 HydrophobicContact CD2-CB 3.92Å; F800-E966 HydrophobicContact CD2-CG 4.38Å; F800-E966 HydrophobicContact CE1-CB 3.99Å; F800-E966 HydrophobicContact CE2-CB 3.49Å; F800-E966 VanDerWaalsContact CE2-CB 3.49Å; F800-E966 HydrophobicContact CE2-CG 3.77Å; F800-E966 HydrophobicContact CG-CB 4.33Å; F800-E966 HydrophobicContact CZ-CB 3.53Å; F800-E966 HydrophobicContact CZ-CG 4.13Å
801P95.3Very high89.7Confident0 Ų042.7 Ų42.70%022%0.216CC..  trans-87.443-17337.9-38.7000113H761 G799 A939 L940 L941H761-P801 HydrophobicContact CB-CG 4.18Å; H761-P801 WeakPolarHBondContact ND1-CG 3.25Å; G799-P801 WeakPolarHBondContact O-CD 2.83Å; P801-A939 WeakPolarHBondContact CB-O 3.48Å; P801-L940 HydrophobicContact CB-CD1 4.21Å; P801-L940 WeakPolarHBondContact O-CA 2.85Å; P801-L940 WeakPolarHBondContact O-CD1 3.48Å; P801-L941 PolarHBondContact O-N 2.92Å; P801-L941 VanDerWaalsContact O-N 3.14Å
802V97.8Very high89.2Confident0 Ų032.8 Ų32.80%018%0.184CC..EExtended strand (participates in β ladder)trans-130.2127.7173.5-177.80000107.8A763 I764 F800 L941 F959A763-V802 HydrophobicContact CB-CG2 4.13Å; I764-V802 HydrophobicContact CB-CG2 4.47Å; I764-V802 HydrophobicContact CG1-CG2 3.72Å; F800-V802 HydrophobicContact CD1-CB 4.26Å; F800-V802 WeakPolarHBondContact CD1-O 3.2Å; F800-V802 HydrophobicContact CE1-CB 3.66Å; F800-V802 HydrophobicContact CE1-CG1 4.41Å; F800-V802 WeakPolarHBondContact CE1-O 3.46Å; F800-V802 HydrophobicContact CZ-CB 3.84Å; F800-V802 HydrophobicContact CZ-CG2 4.42Å; F800-V802 PolarHBondContact O-N 2.72Å; V802-L941 WeakPolarHBondContact CA-O 3.39Å; V802-L941 HydrophobicContact CG1-CD2 4.45Å; V802-F959 HydrophobicContact CG1-CE2 3.97Å; V802-F959 HydrophobicContact CG1-CZ 3.64Å
803I97.9Very high88.3Confident0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-123.7128.1177.4-57.7175.8000108.8W792 L795 P796 H805 Y832 L941 I942 V943 G968W792-I803 HydrophobicContact CZ3-CD1 4.21Å; L795-I803 HydrophobicContact CD2-CD1 4.02Å; L795-I803 HydrophobicContact CD2-CG1 4.2Å; P796-I803 HydrophobicContact CG-CD1 4.46Å; P796-I803 HydrophobicContact CG-CG1 4.25Å; P796-I803 HydrophobicContact CG-CG2 4.44Å; I803-H805 HydrophobicContact CG2-CB 4.47Å; I803-Y832 HydrophobicContact CD1-CE1 4.2Å; I803-L941 PolarHBondContact N-O 2.89Å; I803-I942 HydrophobicContact CB-CG1 4.35Å; I803-I942 HydrophobicContact CB-CG2 4.25Å; I803-I942 HydrophobicContact CD1-CD1 4.38Å; I803-I942 HydrophobicContact CD1-CG1 4.26Å; I803-I942 HydrophobicContact CG2-CG2 4.4Å; I803-I942 CarbonylContact O-C 3.49Å; I803-I942 WeakPolarHBondContact O-CA 2.73Å; I803-V943 PolarHBondContact O-N 2.78Å; I803-G968 WeakPolarHBondContact CA-O 3.24Å
804F97.4Very high87.4Confident0 Ų030.1 Ų30.10%017%0.17CC..EExtended strand (participates in β ladder)trans-105.4116.7158.8-178.1-87.9000108.5V943 P947 L950 F959 I960 C963 G968 Y969 S970F804-V943 CarbonylContact C-O 3.56Å; F804-V943 WeakPolarHBondContact CA-O 3.43Å; F804-V943 HydrophobicContact CD2-CB 4.04Å; F804-V943 HydrophobicContact CD2-CG1 3.91Å; F804-V943 HydrophobicContact CE2-CG1 4.06Å; F804-P947 HydrophobicContact CE1-CB 3.92Å; F804-P947 HydrophobicContact CZ-CB 4.15Å; F804-L950 HydrophobicContact CE2-CD1 3.76Å; F804-L950 HydrophobicContact CZ-CD1 4.03Å; F804-F959 HydrophobicContact CB-CE1 4.36Å; F804-F959 HydrophobicContact CD2-CD1 4.34Å; F804-F959 HydrophobicContact CD2-CE1 4.16Å; F804-I960 HydrophobicContact CD1-CG1 4.25Å; F804-I960 HydrophobicContact CD1-CG2 4.49Å; F804-I960 HydrophobicContact CD2-CG1 3.81Å; F804-I960 HydrophobicContact CE1-CD1 4.27Å; F804-I960 HydrophobicContact CE1-CG1 4.08Å; F804-I960 HydrophobicContact CE1-CG2 4.49Å; F804-I960 HydrophobicContact CE2-CD1 3.85Å; F804-I960 HydrophobicContact CE2-CG1 3.61Å; F804-I960 HydrophobicContact CG-CG1 4.12Å; F804-I960 HydrophobicContact CZ-CD1 3.69Å; F804-I960 HydrophobicContact CZ-CG1 3.75Å; F804-C963 HydrophobicContact CB-CB 3.86Å; F804-G968 PolarHBondContact N-O 3.21Å; F804-G968 VanDerWaalsContact N-O 3.07Å; F804-Y969 AromaticContact CD1-CD2 3.66Å; F804-Y969 HydrophobicContact CD1-CD2 3.66Å; F804-Y969 AromaticContact CD1-CE2 3.42Å; F804-Y969 HydrophobicContact CD1-CE2 3.42Å; F804-Y969 VanDerWaalsContact CD1-CE2 3.42Å; F804-Y969 HydrophobicContact CE1-CD2 4.38Å; F804-Y969 AromaticContact CE1-CE2 3.68Å; F804-Y969 HydrophobicContact CE1-CE2 3.68Å; F804-Y969 CarbonylContact O-C 3.45Å; F804-Y969 WeakPolarHBondContact O-CA 3.08Å; F804-S970 PolarHBondContact O-N 2.85Å
805H96.5Very high86.3Confident27 Ų2728 Ų2813%0.12517%0.17CC..EExtended strand (participates in β ladder)trans-104.7105.5176.5-166.7127.3000109.2I803 V828 Y832 V943 V944 G945 S970I803-H805 HydrophobicContact CG2-CB 4.47Å; H805-V828 HydrophobicContact CB-CG1 4.34Å; H805-Y832 HydrophobicContact CB-CE2 4.04Å; H805-Y832 AromaticContact ND1-CE2 3.53Å; H805-Y832 AromaticContact ND1-CZ 3.56Å; H805-Y832 PolarHBondContact ND1-OH 2.54Å; H805-V943 PolarHBondContact N-O 3.31Å; H805-V944 HydrophobicContact CB-CG2 4.35Å; H805-V944 WeakPolarHBondContact O-CA 2.84Å; H805-G945 PolarHBondContact O-N 3.26Å; H805-S970 CarbonylContact C-O 3.39Å; H805-S970 VanDerWaalsContact CA-O 3.31Å; H805-S970 WeakPolarHBondContact CA-O 3.16Å
806G93.1Very high84.6Confident1 Ų129 Ų291%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-68.1129.9176.200000111.6G945 S970 F972G806-G945 CarbonylContact C-O 3.59Å; G806-G945 WeakPolarHBondContact CA-O 3.33Å; G806-S970 PolarHBondContact N-O 3.42Å; G806-F972 WeakPolarHBondContact O-CB 3.45Å; G806-F972 PolarHBondContact O-N 3.17Å
807V89.5Confident83.2Confident2 Ų227 Ų271%0.01216%0.163CC..  trans-129.7120.8177.7179.80000109.7G809 A824 E825 V828 V944 G945 N946V807-G809 PolarHBondContact O-N 2.83Å; V807-A824 HydrophobicContact CG1-CB 3.71Å; V807-E825 HydrophobicContact CB-CG 4.23Å; V807-E825 HydrophobicContact CG1-CG 4.16Å; V807-V828 HydrophobicContact CG2-CB 4.34Å; V807-V828 HydrophobicContact CG2-CG1 4.45Å; V807-V828 HydrophobicContact CG2-CG2 3.87Å; V807-V944 HydrophobicContact CB-CG1 4.42Å; V807-V944 HydrophobicContact CG2-CG1 3.45Å; V807-V944 VanDerWaalsContact CG2-CG1 3.45Å; V807-G945 PolarHBondContact N-O 2.92Å; V807-N946 WeakPolarHBondContact O-CA 3.02Å; V807-N946 WeakPolarHBondContact O-CB 3.45Å
808A82.2Confident81.7Confident9 Ų923.7 Ų23.77%0.07415%0.151CC..  trans-80.874168.100000108.6G232 F233 F234 F972G232-A808 CarbonylContact C-O 3.46Å; G232-A808 WeakPolarHBondContact CA-O 3.31Å; F233-A808 PolarHBondContact N-O 2.93Å; F234-A808 HydrophobicContact CD1-CB 4.21Å; F234-A808 HydrophobicContact CE1-CB 3.85Å; F234-A808 HydrophobicContact CZ-CB 4.45Å; A808-F972 HydrophobicContact CB-CB 4.48Å; A808-F972 HydrophobicContact CB-CD1 3.96Å; A808-F972 HydrophobicContact CB-CD2 3.93Å; A808-F972 HydrophobicContact CB-CE1 4.12Å; A808-F972 HydrophobicContact CB-CE2 4.08Å; A808-F972 HydrophobicContact CB-CG 3.85Å; A808-F972 HydrophobicContact CB-CZ 4.18Å
809G76.5Confident80.5Confident5 Ų518.5 Ų18.55%0.05212%0.117CC..  trans-90.6-175.7-178.400000113.3V807 S908V807-G809 PolarHBondContact O-N 2.83Å; G809-S908 WeakPolarHBondContact O-CB 3.24Å; G809-S908 PolarHBondContact O-OG 3.28Å
810L75.6Confident79.7Confident74 Ų7416.7 Ų16.739%0.38710%0.097SC..  trans-124.2126.3166.2-79.7173.2000108.8F233F233-L810 HydrophobicContact CB-CD1 3.86Å; F233-L810 HydrophobicContact CB-CD2 4.47Å; F233-L810 HydrophobicContact CB-CG 3.62Å; F233-L810 HydrophobicContact CD1-CD1 3.89Å; F233-L810 HydrophobicContact CD1-CD2 3.53Å; F233-L810 HydrophobicContact CD1-CG 3.6Å; F233-L810 HydrophobicContact CD2-CD1 3.35Å; F233-L810 HydrophobicContact CD2-CG 3.96Å; F233-L810 HydrophobicContact CE1-CD1 4.24Å; F233-L810 HydrophobicContact CE1-CD2 3.76Å; F233-L810 HydrophobicContact CE1-CG 4.21Å; F233-L810 HydrophobicContact CE2-CD1 3.71Å; F233-L810 HydrophobicContact CE2-CG 4.49Å; F233-L810 HydrophobicContact CG-CD1 3.42Å; F233-L810 VanDerWaalsContact CG-CD1 3.42Å; F233-L810 HydrophobicContact CG-CD2 3.94Å; F233-L810 HydrophobicContact CG-CG 3.45Å; F233-L810 VanDerWaalsContact CG-CG 3.45Å; F233-L810 HydrophobicContact CZ-CD1 4.15Å; F233-L810 HydrophobicContact CZ-CD2 4.34Å
811D75.9Confident79.1Confident20 Ų2016.2 Ų16.211%0.10710%0.095CC..  trans-79.9123.1168.558.4-63.8000110.4F820 F821 R907 S908 S909D811-F820 HydrophobicContact CB-CD1 4.1Å; D811-F821 WeakPolarHBondContact CA-O 3.32Å; D811-R907 IonicContact OD2-CZ 2.71Å; D811-R907 IonicContact OD2-NH1 2.76Å; D811-R907 IonicContact OD2-NH2 3.4Å; D811-R907 PolarHBondContact OD2-NH2 2.77Å; D811-S908 PolarHBondContact OD1-N 2.69Å; D811-S908 VanDerWaalsContact OD1-N 3.17Å; D811-S909 VanDerWaalsContact OD1-CB 3.28Å; D811-S909 WeakPolarHBondContact OD1-CB 3.19Å; D811-S909 PolarHBondContact OD1-N 2.94Å; D811-S909 PolarHBondContact OD1-OG 3.22Å; D811-S909 PolarHBondContact OD2-OG 3.48Å
812A75.2Confident78.8Confident26 Ų2616.2 Ų16.222%0.21510%0.095CC..EExtended strand (participates in β ladder)trans-122.2164.4-177.100000111.7P273 F820 F821P273-A812 HydrophobicContact CG-CB 3.93Å; A812-F820 CarbonylContact O-C 3.41Å; A812-F820 VanDerWaalsContact O-CA 3.32Å; A812-F820 WeakPolarHBondContact O-CA 3.27Å; A812-F821 HydrophobicContact CB-CE1 4.12Å; A812-F821 HydrophobicContact CB-CE2 4.32Å; A812-F821 HydrophobicContact CB-CZ 4Å; A812-F821 PolarHBondContact N-O 2.68Å; A812-F821 VanDerWaalsContact O-CD1 3.27Å; A812-F821 WeakPolarHBondContact O-CD1 3.49Å; A812-F821 PolarHBondContact O-N 3.48Å
813R71.6Confident78.5Confident46 Ų4617.2 Ų17.217%0.17410%0.101CC..EExtended strand (participates in β ladder)trans-131.8157.4170.5-69.5179.6-71.5-177.1-2.5108.8Y277 P818 F820 Y912Y277-R813 HydrophobicContact CD2-CB 4.27Å; Y277-R813 VanDerWaalsContact CE1-NH1 3.32Å; Y277-R813 HydrophobicContact CG-CB 3.92Å; R813-P818 WeakPolarHBondContact CD-O 3.47Å; R813-F820 HydrophobicContact CG-CD1 3.75Å; R813-F820 HydrophobicContact CG-CD2 4.44Å; R813-F820 HydrophobicContact CG-CE1 3.87Å; R813-F820 HydrophobicContact CG-CG 4.07Å; R813-F820 HydrophobicContact CG-CZ 4.25Å; R813-Y912 PolarHBondContact NH2-OH 2.88Å
814E69.1Low78.1Confident13 Ų1317.7 Ų17.76%0.06111%0.105CC..EExtended strand (participates in β ladder)trans-138.4152.1177.863.8178.3-144.900112.7P273 V274 A275 T816 S817 F821 K861 K865P273-E814 WeakPolarHBondContact CA-OE2 3.45Å; P273-E814 HydrophobicContact CB-CB 4.22Å; V274-E814 PolarHBondContact N-OE2 3.16Å; A275-E814 WeakPolarHBondContact O-CA 3.34Å; A275-E814 WeakPolarHBondContact O-CB 3.26Å; E814-T816 PolarHBondContact O-N 3.48Å; E814-S817 WeakPolarHBondContact O-CB 3.35Å; E814-S817 PolarHBondContact O-N 2.85Å; E814-F821 HydrophobicContact CB-CE1 4.22Å; E814-F821 HydrophobicContact CG-CE1 3.97Å; E814-F821 HydrophobicContact CG-CZ 4.48Å; E814-K861 WeakPolarHBondContact OE1-CE 3.24Å; E814-K861 IonicContact OE1-NZ 3.5Å; E814-K861 PolarHBondContact OE1-NZ 3.42Å; E814-K865 IonicContact OE1-NZ 3.87Å; E814-K865 WeakPolarHBondContact OE2-CE 3.23Å; E814-K865 IonicContact OE2-NZ 2.78Å; E814-K865 PolarHBondContact OE2-NZ 3.3Å
815S66.9Low77.9Confident53 Ų5317.7 Ų17.737%0.37111%0.105SC..THydrogen-bonded Turntrans50.6-125.9175.267.90000113.4A275 P276 Y277 K278A275-S815 PolarHBondContact O-N 2.78Å; A275-S815 VanDerWaalsContact O-N 3.07Å; P276-S815 PolarHBondContact O-N 3.21Å; Y277-S815 CarbonylContact C-O 3.26Å; Y277-S815 WeakPolarHBondContact CA-O 3.45Å; Y277-S815 WeakPolarHBondContact CD2-O 3.43Å; K278-S815 PolarHBondContact N-O 3.16Å
816T56.2Low77.9Confident34 Ų3416.4 Ų16.421%0.20910%0.099CC..THydrogen-bonded Turntrans-99.18.517454.20000112.8K278 R280 D390 E814 P818K278-T816 WeakPolarHBondContact O-CA 3.03Å; R280-T816 HydrophobicContact CG-CG2 4.27Å; R280-T816 PolarHBondContact NH2-OG1 2.77Å; D390-T816 VanDerWaalsContact OD1-CG2 3.31Å; D390-T816 WeakPolarHBondContact OD1-CG2 3.26Å; D390-T816 WeakPolarHBondContact OD2-CG2 3.19Å; D390-T816 PolarHBondContact OD2-OG1 2.56Å; E814-T816 PolarHBondContact O-N 3.48Å; T816-P818 VanDerWaalsContact O-CD 3.24Å; T816-P818 WeakPolarHBondContact O-CD 2.82Å
817S61.5Low77.8Confident13 Ų1316.8 Ų16.89%0.09110%0.101CC..EExtended strand (participates in β ladder)trans-82.9116.9178.8-1730000110.7Y277 E814 S819Y277-S817 WeakPolarHBondContact CD2-O 3.26Å; Y277-S817 WeakPolarHBondContact CE2-O 3.22Å; E814-S817 WeakPolarHBondContact O-CB 3.35Å; E814-S817 PolarHBondContact O-N 2.85Å; S817-S819 PolarHBondContact O-N 2.75Å
818P59.3Low78.1Confident14 Ų1417.2 Ų17.29%0.09110%0.103CC..EExtended strand (participates in β ladder)trans-84-0.2179.635.3-38.2000113.9Y277 R813 T816 Q1011Y277-P818 HydrophobicContact CE2-CB 3.88Å; Y277-P818 WeakPolarHBondContact OH-CB 3.38Å; R813-P818 WeakPolarHBondContact CD-O 3.47Å; T816-P818 VanDerWaalsContact O-CD 3.24Å; T816-P818 WeakPolarHBondContact O-CD 2.82Å; P818-Q1011 HydrophobicContact CB-CB 3.51Å; P818-Q1011 HydrophobicContact CB-CG 3.66Å; P818-Q1011 HydrophobicContact CG-CB 3.32Å; P818-Q1011 HydrophobicContact CG-CG 3.49Å; P818-Q1011 VanDerWaalsContact CG-CG 3.49Å; P818-Q1011 WeakPolarHBondContact CG-O 3.44Å
819S65.1Low78.8Confident0 Ų016.8 Ų16.80%010%0.1CC..EExtended strand (participates in β ladder)trans-83.7138.5-179.3-178.10000110.9S817 R860 K861S817-S819 PolarHBondContact O-N 2.75Å; S819-R860 PolarHBondContact OG-N 3.46Å; S819-K861 WeakPolarHBondContact O-CB 3.34Å; S819-K861 PolarHBondContact OG-N 3.31Å
820F74.4Confident79.7Confident3 Ų316.6 Ų16.61%0.01310%0.097CC..EExtended strand (participates in β ladder)trans-83.7154.3-176-68.7-94.1000112.7D811 A812 R813 Y859 Q862 V906 R907 Y912 Q1012D811-F820 HydrophobicContact CB-CD1 4.1Å; A812-F820 CarbonylContact O-C 3.41Å; A812-F820 VanDerWaalsContact O-CA 3.32Å; A812-F820 WeakPolarHBondContact O-CA 3.27Å; R813-F820 HydrophobicContact CG-CD1 3.75Å; R813-F820 HydrophobicContact CG-CD2 4.44Å; R813-F820 HydrophobicContact CG-CE1 3.87Å; R813-F820 HydrophobicContact CG-CG 4.07Å; R813-F820 HydrophobicContact CG-CZ 4.25Å; F820-Y859 HydrophobicContact CB-CD1 3.78Å; F820-Y859 HydrophobicContact CB-CE1 4.09Å; F820-Y859 HydrophobicContact CB-CG 4.1Å; F820-Y859 HydrophobicContact CD2-CD1 4.09Å; F820-Y859 AromaticContact CD2-CE1 3.89Å; F820-Y859 HydrophobicContact CD2-CE1 3.89Å; F820-Y859 HydrophobicContact CG-CD1 4.42Å; F820-Y859 HydrophobicContact CG-CE1 4.37Å; F820-Y859 WeakPolarHBondContact O-CB 3.47Å; F820-Q862 PolarHBondContact O-N 2.82Å; F820-V906 HydrophobicContact CB-CG1 4.13Å; F820-R907 VanDerWaalsContact CE2-NH1 3.34Å; F820-R907 VanDerWaalsContact CZ-NH1 3.29Å; F820-Y912 HydrophobicContact CE1-CD2 4.42Å; F820-Y912 HydrophobicContact CE1-CE2 4.15Å; F820-Y912 HydrophobicContact CZ-CD1 4.17Å; F820-Y912 HydrophobicContact CZ-CD2 4.47Å; F820-Y912 HydrophobicContact CZ-CE1 4.18Å; F820-Y912 HydrophobicContact CZ-CE2 4.42Å; F820-Y912 HydrophobicContact CZ-CG 4.32Å; F820-Q1012 VanDerWaalsContact CD2-NE2 3.33Å
821F84.4Confident80.5Confident0 Ų015.8 Ų15.80%09%0.093CC..EExtended strand (participates in β ladder)trans-146.5156.9169.567.6-82.5000110.4P273 D811 A812 E814 V823 K861 Q862 K865P273-F821 HydrophobicContact CB-CZ 4.04Å; P273-F821 HydrophobicContact CG-CE2 4.32Å; P273-F821 HydrophobicContact CG-CZ 3.73Å; D811-F821 WeakPolarHBondContact CA-O 3.32Å; A812-F821 HydrophobicContact CB-CE1 4.12Å; A812-F821 HydrophobicContact CB-CE2 4.32Å; A812-F821 HydrophobicContact CB-CZ 4Å; A812-F821 PolarHBondContact N-O 2.68Å; A812-F821 VanDerWaalsContact O-CD1 3.27Å; A812-F821 WeakPolarHBondContact O-CD1 3.49Å; A812-F821 PolarHBondContact O-N 3.48Å; E814-F821 HydrophobicContact CB-CE1 4.22Å; E814-F821 HydrophobicContact CG-CE1 3.97Å; E814-F821 HydrophobicContact CG-CZ 4.48Å; F821-V823 HydrophobicContact CD2-CG2 3.84Å; F821-V823 HydrophobicContact CE2-CG2 3.68Å; F821-K861 HydrophobicContact CB-CB 4.26Å; F821-K861 HydrophobicContact CB-CG 4.08Å; F821-K861 HydrophobicContact CD1-CB 4.31Å; F821-K861 HydrophobicContact CD1-CG 3.47Å; F821-K861 VanDerWaalsContact CD1-CG 3.47Å; F821-K861 HydrophobicContact CE1-CG 4.19Å; F821-K861 HydrophobicContact CG-CG 4.06Å; F821-Q862 VanDerWaalsContact CA-OE1 3.23Å; F821-Q862 HydrophobicContact CB-CB 4.38Å; F821-Q862 VanDerWaalsContact CB-OE1 3.28Å; F821-K865 HydrophobicContact CB-CG 4.16Å; F821-K865 HydrophobicContact CD2-CD 4.22Å; F821-K865 HydrophobicContact CD2-CG 3.9Å; F821-K865 HydrophobicContact CE2-CD 4.33Å; F821-K865 HydrophobicContact CE2-CG 4.49Å; F821-K865 HydrophobicContact CG-CG 4.09Å
822N88.4Confident81.4Confident1 Ų115.3 Ų15.31%0.0059%0.09CC..  trans-136.1107.4-179.9-174.1-31.5000109A824 E825 V826 Q862 V906 S908N822-A824 PolarHBondContact OD1-N 3.42Å; N822-E825 HydrophobicContact CB-CB 4.34Å; N822-E825 HydrophobicContact CB-CG 4.19Å; N822-E825 PolarHBondContact ND2-OE1 3.18Å; N822-E825 PolarHBondContact O-N 3.41Å; N822-E825 PolarHBondContact OD1-N 3.3Å; N822-V826 WeakPolarHBondContact O-CG2 3.47Å; N822-V826 PolarHBondContact O-N 3.07Å; N822-Q862 PolarHBondContact O-NE2 2.76Å; N822-Q862 PolarHBondContact O-OE1 2.93Å; N822-V906 HydrophobicContact CB-CB 4.5Å; N822-V906 HydrophobicContact CB-CG1 4Å; N822-V906 WeakPolarHBondContact CB-O 3.47Å; N822-V906 PolarHBondContact ND2-O 2.88Å; N822-S908 PolarHBondContact ND2-OG 2.88Å
823V90.8Very high82.4Confident21 Ų2114 Ų1413%0.1278%0.08CC..Hα-helixtrans-66.4-39.7-173.5176.80000111.7L271 F821 E825 V826 E827L271-V823 HydrophobicContact CB-CG1 3.97Å; L271-V823 HydrophobicContact CB-CG2 4.16Å; F821-V823 HydrophobicContact CD2-CG2 3.84Å; F821-V823 HydrophobicContact CE2-CG2 3.68Å; V823-E825 VanDerWaalsContact C-N 3.3Å; V823-E825 PolarHBondContact O-N 3.07Å; V823-V826 WeakPolarHBondContact O-CA 3.4Å; V823-V826 WeakPolarHBondContact O-CB 3.38Å; V823-V826 PolarHBondContact O-N 2.85Å; V823-E827 HydrophobicContact CG1-CG 4.43Å; V823-E827 WeakPolarHBondContact O-CG 3.48Å; V823-E827 PolarHBondContact O-N 3.49Å
824A89.5Confident83.3Confident10 Ų1014.9 Ų14.98%0.0838%0.083CC..Hα-helixtrans-61.1-40.9-179.600000111.5V231 V807 N822 E827 V828V231-A824 HydrophobicContact CG1-CB 3.92Å; V807-A824 HydrophobicContact CG1-CB 3.71Å; N822-A824 PolarHBondContact OD1-N 3.42Å; A824-E827 PolarHBondContact O-N 2.96Å; A824-V828 WeakPolarHBondContact O-CG2 3.47Å; A824-V828 PolarHBondContact O-N 3.28Å
825E94.8Very high84.4Confident0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-63.9-40.3173.3-67.1-171.9-155.900112.3V807 N822 V823 E827 V828 L829 S904 A905 V906 V944V807-E825 HydrophobicContact CB-CG 4.23Å; V807-E825 HydrophobicContact CG1-CG 4.16Å; N822-E825 HydrophobicContact CB-CB 4.34Å; N822-E825 HydrophobicContact CB-CG 4.19Å; N822-E825 PolarHBondContact ND2-OE1 3.18Å; N822-E825 PolarHBondContact O-N 3.41Å; N822-E825 PolarHBondContact OD1-N 3.3Å; V823-E825 VanDerWaalsContact C-N 3.3Å; V823-E825 PolarHBondContact O-N 3.07Å; E825-E827 VanDerWaalsContact C-N 3.3Å; E825-E827 PolarHBondContact O-N 2.77Å; E825-V828 PolarHBondContact O-N 3.04Å; E825-L829 WeakPolarHBondContact O-CB 3.47Å; E825-L829 WeakPolarHBondContact O-CD1 3.05Å; E825-L829 WeakPolarHBondContact O-CG 3.41Å; E825-L829 PolarHBondContact O-N 2.57Å; E825-S904 WeakPolarHBondContact OE2-CA 3.39Å; E825-S904 PolarHBondContact OE2-OG 3.15Å; E825-A905 PolarHBondContact OE2-N 2.61Å; E825-V906 WeakPolarHBondContact OE1-CA 3.43Å; E825-V906 PolarHBondContact OE1-N 2.68Å; E825-V906 WeakPolarHBondContact OE2-CA 3.48Å; E825-V906 PolarHBondContact OE2-N 3.22Å; E825-V944 HydrophobicContact CB-CG1 4.03Å; E825-V944 HydrophobicContact CG-CG1 4.03Å
826V95.1Very high85.5Confident0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-60-42.8176.2-179.90000110.8L271 N822 V823 V828 L829 M830 Q862 K865 I866 A869L271-V826 HydrophobicContact CD1-CB 4.37Å; L271-V826 HydrophobicContact CD1-CG1 3.8Å; N822-V826 WeakPolarHBondContact O-CG2 3.47Å; N822-V826 PolarHBondContact O-N 3.07Å; V823-V826 WeakPolarHBondContact O-CA 3.4Å; V823-V826 WeakPolarHBondContact O-CB 3.38Å; V823-V826 PolarHBondContact O-N 2.85Å; V826-V828 PolarHBondContact O-N 3.07Å; V826-L829 PolarHBondContact O-N 2.94Å; V826-M830 HydrophobicContact CG1-CG 4.24Å; V826-M830 VanDerWaalsContact O-CG 3.28Å; V826-M830 WeakPolarHBondContact O-CG 3.36Å; V826-M830 PolarHBondContact O-N 3.49Å; V826-Q862 VanDerWaalsContact CG2-NE2 3.31Å; V826-K865 HydrophobicContact CG2-CB 4.33Å; V826-I866 HydrophobicContact CG1-CG1 4.27Å; V826-I866 HydrophobicContact CG2-CG1 3.85Å; V826-A869 HydrophobicContact CG1-CB 3.65Å
827E92.8Very high87Confident9 Ų913.5 Ų13.54%0.0427%0.068CC..Hα-helixtrans-62.2-44.7179.7-69.7-179.910500112V231 T265 L267 G268 V823 A824 E825 M830 D831V231-E827 HydrophobicContact CG1-CB 4.11Å; V231-E827 HydrophobicContact CG1-CG 4.5Å; V231-E827 WeakPolarHBondContact CG1-OE2 3.34Å; T265-E827 WeakPolarHBondContact CA-OE1 3.33Å; T265-E827 WeakPolarHBondContact CB-OE1 3.25Å; T265-E827 VanDerWaalsContact CG2-OE1 3.3Å; T265-E827 WeakPolarHBondContact CG2-OE1 3.27Å; T265-E827 PolarHBondContact N-OE1 2.99Å; T265-E827 PolarHBondContact OG1-OE1 2.82Å; L267-E827 HydrophobicContact CD2-CG 4.36Å; L267-E827 HydrophobicContact CG-CG 4.48Å; G268-E827 VanDerWaalsContact CA-CD 3.48Å; G268-E827 VanDerWaalsContact CA-OE1 3.32Å; G268-E827 WeakPolarHBondContact CA-OE1 3.33Å; G268-E827 PolarHBondContact N-OE1 3.45Å; V823-E827 HydrophobicContact CG1-CG 4.43Å; V823-E827 WeakPolarHBondContact O-CG 3.48Å; V823-E827 PolarHBondContact O-N 3.49Å; A824-E827 PolarHBondContact O-N 2.96Å; E825-E827 VanDerWaalsContact C-N 3.3Å; E825-E827 PolarHBondContact O-N 2.77Å; E827-M830 PolarHBondContact O-N 2.87Å; E827-D831 PolarHBondContact O-N 3.35Å
828V94.8Very high88.1Confident11 Ų1118 Ų187%0.0679%0.088CC..Hα-helixtrans-63.7-42.6175.5172.30000111.6H805 V807 A824 E825 V826 M830 D831 Y832 V944H805-V828 HydrophobicContact CB-CG1 4.34Å; V807-V828 HydrophobicContact CG2-CB 4.34Å; V807-V828 HydrophobicContact CG2-CG1 4.45Å; V807-V828 HydrophobicContact CG2-CG2 3.87Å; A824-V828 WeakPolarHBondContact O-CG2 3.47Å; A824-V828 PolarHBondContact O-N 3.28Å; E825-V828 PolarHBondContact O-N 3.04Å; V826-V828 PolarHBondContact O-N 3.07Å; V828-M830 VanDerWaalsContact C-N 3.33Å; V828-M830 PolarHBondContact O-N 3.28Å; V828-D831 WeakPolarHBondContact O-CB 3.28Å; V828-D831 PolarHBondContact O-N 2.76Å; V828-Y832 HydrophobicContact CG1-CD2 4.03Å; V828-Y832 HydrophobicContact CG1-CE2 3.78Å; V828-Y832 WeakPolarHBondContact O-CD2 3.46Å; V828-Y832 PolarHBondContact O-N 3.25Å; V828-Y832 VanDerWaalsContact O-N 3.14Å; V828-V944 HydrophobicContact CB-CG1 4.02Å; V828-V944 HydrophobicContact CG1-CG1 3.82Å; V828-V944 HydrophobicContact CG1-CG2 3.98Å
829L96.3Very high88.7Confident0 Ų018.2 Ų18.20%09%0.089CC..Hα-helixtrans-60-44.1175.5-70.7165000111.4E825 V826 D831 Y832 V833 I855 I866 L902 V944E825-L829 WeakPolarHBondContact O-CB 3.47Å; E825-L829 WeakPolarHBondContact O-CD1 3.05Å; E825-L829 WeakPolarHBondContact O-CG 3.41Å; E825-L829 PolarHBondContact O-N 2.57Å; V826-L829 PolarHBondContact O-N 2.94Å; L829-D831 VanDerWaalsContact C-N 3.32Å; L829-D831 PolarHBondContact O-N 3.49Å; L829-Y832 PolarHBondContact O-N 2.8Å; L829-V833 WeakPolarHBondContact O-CG2 3.48Å; L829-V833 PolarHBondContact O-N 2.83Å; L829-I855 HydrophobicContact CD1-CG2 4.35Å; L829-I866 HydrophobicContact CD1-CD1 4.16Å; L829-L902 HydrophobicContact CD2-CB 3.6Å; L829-L902 HydrophobicContact CD2-CD2 3.84Å; L829-L902 HydrophobicContact CD2-CG 4.38Å; L829-V944 HydrophobicContact CD2-CB 4.17Å; L829-V944 HydrophobicContact CD2-CG2 3.57Å; L829-V944 HydrophobicContact CG-CB 4.34Å; L829-V944 HydrophobicContact CG-CG2 4.01Å
830M95.3Very high88.7Confident0 Ų020.9 Ų20.90%010%0.102CC..Hα-helixtrans-67.3-32.6179.5-69.5-52.79700112.6L267 V826 E827 V828 V833 R834 I855 I866 A869 L870 V873L267-M830 HydrophobicContact CD2-CB 4.18Å; L267-M830 HydrophobicContact CD2-CG 4.04Å; V826-M830 HydrophobicContact CG1-CG 4.24Å; V826-M830 VanDerWaalsContact O-CG 3.28Å; V826-M830 WeakPolarHBondContact O-CG 3.36Å; V826-M830 PolarHBondContact O-N 3.49Å; E827-M830 PolarHBondContact O-N 2.87Å; V828-M830 VanDerWaalsContact C-N 3.33Å; V828-M830 PolarHBondContact O-N 3.28Å; M830-V833 HydrophobicContact CE-CG2 4.16Å; M830-V833 PolarHBondContact O-N 2.82Å; M830-R834 WeakPolarHBondContact O-CB 3.37Å; M830-R834 WeakPolarHBondContact O-CG 3.11Å; M830-R834 PolarHBondContact O-N 2.83Å; M830-R834 PolarHBondContact O-NE 2.92Å; M830-I855 HydrophobicContact CE-CD1 3.91Å; M830-I866 HydrophobicContact CE-CG2 4.04Å; M830-A869 HydrophobicContact CG-CB 3.7Å; M830-A869 HydrophobicContact SD-CB 3.82Å; M830-L870 HydrophobicContact CE-CD2 3.82Å; M830-L870 HydrophobicContact CE-CG 4Å; M830-L870 HydrophobicContact SD-CD2 3.71Å; M830-L870 HydrophobicContact SD-CG 3.93Å; M830-V873 HydrophobicContact CB-CG2 4.15Å; M830-V873 HydrophobicContact CG-CG2 4.17Å; M830-V873 HydrophobicContact SD-CG2 3.91Å
831D93.5Very high87.8Confident57 Ų5723.7 Ų23.731%0.30513%0.132SC..Hα-helixtrans-61.3-47.2170.6178.755.7000111.9E827 V828 L829 V833 R834 K835E827-D831 PolarHBondContact O-N 3.35Å; V828-D831 WeakPolarHBondContact O-CB 3.28Å; V828-D831 PolarHBondContact O-N 2.76Å; L829-D831 VanDerWaalsContact C-N 3.32Å; L829-D831 PolarHBondContact O-N 3.49Å; D831-V833 PolarHBondContact O-N 3.46Å; D831-R834 WeakPolarHBondContact O-CB 3.43Å; D831-R834 PolarHBondContact O-N 3.48Å; D831-K835 WeakPolarHBondContact O-CG 3.17Å; D831-K835 PolarHBondContact O-N 3.29Å; D831-K835 IonicContact OD1-NZ 3.51Å; D831-K835 WeakPolarHBondContact OD2-CE 3.32Å; D831-K835 IonicContact OD2-NZ 3.2Å; D831-K835 PolarHBondContact OD2-NZ 3.36Å
832Y95.4Very high86.4Confident10 Ų1030.4 Ų30.44%0.03916%0.161CC..Hα-helixtrans-63.8-40.8174.6-75.5-60.6000113.2W792 I803 H805 V828 L829 R834 K835 L836 I942W792-Y832 HydrophobicContact CH2-CD1 4.08Å; I803-Y832 HydrophobicContact CD1-CE1 4.2Å; H805-Y832 HydrophobicContact CB-CE2 4.04Å; H805-Y832 AromaticContact ND1-CE2 3.53Å; H805-Y832 AromaticContact ND1-CZ 3.56Å; H805-Y832 PolarHBondContact ND1-OH 2.54Å; V828-Y832 HydrophobicContact CG1-CD2 4.03Å; V828-Y832 HydrophobicContact CG1-CE2 3.78Å; V828-Y832 WeakPolarHBondContact O-CD2 3.46Å; V828-Y832 PolarHBondContact O-N 3.25Å; V828-Y832 VanDerWaalsContact O-N 3.14Å; L829-Y832 PolarHBondContact O-N 2.8Å; Y832-R834 VanDerWaalsContact C-N 3.31Å; Y832-R834 PolarHBondContact O-N 3.42Å; Y832-K835 HydrophobicContact CD1-CD 4.3Å; Y832-K835 PolarHBondContact O-N 3.4Å; Y832-L836 WeakPolarHBondContact O-CB 3.39Å; Y832-L836 VanDerWaalsContact O-CG 3.28Å; Y832-L836 WeakPolarHBondContact O-CG 3.47Å; Y832-L836 PolarHBondContact O-N 2.82Å; Y832-I942 HydrophobicContact CD1-CD1 3.87Å; Y832-I942 HydrophobicContact CD2-CD1 4.41Å; Y832-I942 HydrophobicContact CD2-CG2 3.75Å; Y832-I942 HydrophobicContact CE1-CD1 4.39Å; Y832-I942 HydrophobicContact CE2-CG2 3.67Å; Y832-I942 HydrophobicContact CG-CD1 3.87Å; Y832-I942 HydrophobicContact CG-CG2 4.27Å
833V94.4Very high84.7Confident0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-59.2-43.7174.6170.80000110.6L829 M830 D831 L836 L837 I855 L870 L885 L902L829-V833 WeakPolarHBondContact O-CG2 3.48Å; L829-V833 PolarHBondContact O-N 2.83Å; M830-V833 HydrophobicContact CE-CG2 4.16Å; M830-V833 PolarHBondContact O-N 2.82Å; D831-V833 PolarHBondContact O-N 3.46Å; V833-L836 PolarHBondContact O-N 2.7Å; V833-L837 HydrophobicContact CG1-CD1 3.76Å; V833-L837 HydrophobicContact CG1-CG 4.37Å; V833-L837 WeakPolarHBondContact O-CB 3.46Å; V833-L837 WeakPolarHBondContact O-CG 2.77Å; V833-L837 PolarHBondContact O-N 2.75Å; V833-I855 HydrophobicContact CG2-CD1 4.02Å; V833-L870 HydrophobicContact CG1-CD2 4.05Å; V833-L870 HydrophobicContact CG2-CD2 4.49Å; V833-L885 HydrophobicContact CG1-CD1 4.41Å; V833-L902 HydrophobicContact CG2-CD2 4.23Å
834R91.9Very high83Confident63 Ų6341.6 Ų41.624%0.23823%0.23CC..Hα-helixtrans-59.2-49.6173.6-80.8-178.5-83.6-105.5-2.3111.5M830 D831 Y832 L836 L837 Q838 V873 L877M830-R834 WeakPolarHBondContact O-CB 3.37Å; M830-R834 WeakPolarHBondContact O-CG 3.11Å; M830-R834 PolarHBondContact O-N 2.83Å; M830-R834 PolarHBondContact O-NE 2.92Å; D831-R834 WeakPolarHBondContact O-CB 3.43Å; D831-R834 PolarHBondContact O-N 3.48Å; Y832-R834 VanDerWaalsContact C-N 3.31Å; Y832-R834 PolarHBondContact O-N 3.42Å; R834-L836 VanDerWaalsContact C-N 3.33Å; R834-L836 PolarHBondContact O-N 2.81Å; R834-L837 CarbonylContact O-C 3.58Å; R834-L837 PolarHBondContact O-N 3Å; R834-Q838 VanDerWaalsContact O-CB 3.23Å; R834-Q838 WeakPolarHBondContact O-CB 3.41Å; R834-Q838 VanDerWaalsContact O-CG 3.25Å; R834-Q838 WeakPolarHBondContact O-CG 3.44Å; R834-Q838 PolarHBondContact O-N 2.74Å; R834-V873 HydrophobicContact CG-CG1 3.82Å; R834-L877 HydrophobicContact CG-CD1 4.24Å
835K91.6Very high81.5Confident49 Ų4943 Ų4321%0.21324%0.238CC..Hα-helixtrans-57.9-43177.9-71.2166.6173.91680112.3W792 Y794 D831 Y832 S839W792-K835 HydrophobicContact CH2-CB 4.35Å; W792-K835 HydrophobicContact CZ2-CB 3.77Å; Y794-K835 HydrophobicContact CD1-CD 3.76Å; Y794-K835 HydrophobicContact CD1-CG 4.13Å; Y794-K835 HydrophobicContact CD2-CB 3.87Å; Y794-K835 HydrophobicContact CD2-CD 4.37Å; Y794-K835 HydrophobicContact CD2-CG 4.13Å; Y794-K835 HydrophobicContact CE1-CD 4.1Å; Y794-K835 HydrophobicContact CE1-CG 4.06Å; Y794-K835 HydrophobicContact CE2-CB 3.98Å; Y794-K835 HydrophobicContact CE2-CG 4.06Å; Y794-K835 HydrophobicContact CG-CB 4.23Å; Y794-K835 HydrophobicContact CG-CD 3.9Å; Y794-K835 HydrophobicContact CG-CG 4.15Å; D831-K835 WeakPolarHBondContact O-CG 3.17Å; D831-K835 PolarHBondContact O-N 3.29Å; D831-K835 IonicContact OD1-NZ 3.51Å; D831-K835 WeakPolarHBondContact OD2-CE 3.32Å; D831-K835 IonicContact OD2-NZ 3.2Å; D831-K835 PolarHBondContact OD2-NZ 3.36Å; Y832-K835 HydrophobicContact CD1-CD 4.3Å; Y832-K835 PolarHBondContact O-N 3.4Å; K835-S839 VanDerWaalsContact O-CB 3.29Å; K835-S839 WeakPolarHBondContact O-CB 2.83Å; K835-S839 PolarHBondContact O-N 3.01Å; K835-S839 VanDerWaalsContact O-N 3.08Å; K835-S839 PolarHBondContact O-OG 3.32Å
836L90.7Very high79.7Confident1 Ų145.2 Ų45.21%0.00526%0.256CS..Hα-helixtrans-65.9-40.2177.6-71.3166.1000112.4Y789 W792 Y832 V833 R834 S839 I848 I853 V900 L902 L940Y789-L836 HydrophobicContact CD1-CD2 4.31Å; Y789-L836 HydrophobicContact CE1-CD2 3.66Å; W792-L836 HydrophobicContact CD2-CD2 4.44Å; W792-L836 HydrophobicContact CH2-CD2 3.75Å; W792-L836 HydrophobicContact CH2-CG 3.91Å; W792-L836 HydrophobicContact CZ2-CD2 3.5Å; W792-L836 HydrophobicContact CZ2-CG 3.72Å; W792-L836 HydrophobicContact CZ3-CD2 4.32Å; Y832-L836 WeakPolarHBondContact O-CB 3.39Å; Y832-L836 VanDerWaalsContact O-CG 3.28Å; Y832-L836 WeakPolarHBondContact O-CG 3.47Å; Y832-L836 PolarHBondContact O-N 2.82Å; V833-L836 PolarHBondContact O-N 2.7Å; R834-L836 VanDerWaalsContact C-N 3.33Å; R834-L836 PolarHBondContact O-N 2.81Å; L836-S839 PolarHBondContact O-OG 2.83Å; L836-I848 WeakPolarHBondContact O-CG2 3.48Å; L836-I853 HydrophobicContact CB-CD1 4.34Å; L836-I853 HydrophobicContact CD1-CD1 4.43Å; L836-V900 HydrophobicContact CD1-CG1 3.84Å; L836-V900 HydrophobicContact CD2-CG2 4.49Å; L836-L902 HydrophobicContact CD1-CD1 4.29Å; L836-L940 HydrophobicContact CD2-CD2 3.87Å
837L87.6Confident78.6Confident21 Ų2152.8 Ų52.811%0.1129%0.289CS..Hα-helixtrans-84.2-18-179-66.2177.3000114V833 R834 Q840 P850 I853 L877 M882V833-L837 HydrophobicContact CG1-CD1 3.76Å; V833-L837 HydrophobicContact CG1-CG 4.37Å; V833-L837 WeakPolarHBondContact O-CB 3.46Å; V833-L837 WeakPolarHBondContact O-CG 2.77Å; V833-L837 PolarHBondContact O-N 2.75Å; R834-L837 CarbonylContact O-C 3.58Å; R834-L837 PolarHBondContact O-N 3Å; L837-Q840 WeakPolarHBondContact O-CG 3.24Å; L837-P850 HydrophobicContact CD2-CG 4.44Å; L837-I853 HydrophobicContact CD2-CD1 4.05Å; L837-I853 HydrophobicContact CG-CD1 4.41Å; L837-L877 HydrophobicContact CB-CD1 4.04Å; L837-L877 HydrophobicContact CD1-CD1 4.05Å; L837-M882 HydrophobicContact CD1-CE 3.47Å; L837-M882 VanDerWaalsContact CD1-CE 3.47Å; L837-M882 HydrophobicContact CD1-SD 4.09Å
838Q83.7Confident78.2Confident109 Ų10952.7 Ų52.751%0.50929%0.288SS..Hα-helixtrans-95.8-23.2177.9-71.5176.7-27.100113.4R834 Q840 L877R834-Q838 VanDerWaalsContact O-CB 3.23Å; R834-Q838 WeakPolarHBondContact O-CB 3.41Å; R834-Q838 VanDerWaalsContact O-CG 3.25Å; R834-Q838 WeakPolarHBondContact O-CG 3.44Å; R834-Q838 PolarHBondContact O-N 2.74Å; Q838-Q840 PolarHBondContact O-N 3.01Å; Q838-L877 HydrophobicContact CG-CD2 3.91Å; Q838-L877 VanDerWaalsContact NE2-CD2 3.33Å
839S73.3Confident77.9Confident17 Ų1753.5 Ų53.512%0.11930%0.296CS..SBendtrans-69.413.2175.148.70000114.2W792 K835 L836 G841W792-S839 PolarHBondContact NE1-OG 3.32Å; K835-S839 VanDerWaalsContact O-CB 3.29Å; K835-S839 WeakPolarHBondContact O-CB 2.83Å; K835-S839 PolarHBondContact O-N 3.01Å; K835-S839 VanDerWaalsContact O-N 3.08Å; K835-S839 PolarHBondContact O-OG 3.32Å; L836-S839 PolarHBondContact O-OG 2.83Å; S839-G841 PolarHBondContact O-N 3.19Å
840Q63.4Low77.6Confident56 Ų5654.1 Ų54.126%0.26230%0.3SS..THydrogen-bonded Turntrans-58.2126.3-177.8-63.6-92-41.200112.7L837 Q838 K842 I848L837-Q840 WeakPolarHBondContact O-CG 3.24Å; Q838-Q840 PolarHBondContact O-N 3.01Å; Q840-K842 PolarHBondContact O-N 3.32Å; Q840-I848 PolarHBondContact NE2-O 3Å
841G56.1Low77.4Confident63 Ų6360.4 Ų60.465%0.64933%0.328SS*.THydrogen-bonded Turntrans692.4163.200000116.1S839S839-G841 PolarHBondContact O-N 3.19Å
842K55.5Low77.3Confident140 Ų14059.3 Ų59.361%0.60932%0.322SS*.SBendtrans-85.9139.8172.8-67.2-177.2-179.1177.10109.7Q840 G844 V845Q840-K842 PolarHBondContact O-N 3.32Å; K842-G844 VanDerWaalsContact C-N 3.26Å; K842-G844 PolarHBondContact O-N 3.23Å; K842-G844 VanDerWaalsContact O-N 3.13Å; K842-V845 PolarHBondContact O-N 2.97Å
843K53.5Low77.3Confident181 Ų18158.9 Ų58.979%0.78732%0.32SS*.THydrogen-bonded Turntrans56.627.5171.7-56.1174.4-177.81630115.7E793E793-K843 IonicContact OE2-NZ 3.48Å; E793-K843 PolarHBondContact OE2-NZ 2.83Å
844G54Low77.4Confident77 Ų7758.9 Ų58.979%0.79432%0.32SS*.THydrogen-bonded Turntrans81.310174.200000115.9K842K842-G844 VanDerWaalsContact C-N 3.26Å; K842-G844 PolarHBondContact O-N 3.23Å; K842-G844 VanDerWaalsContact O-N 3.13Å
845V58Low77.6Confident40 Ų4055.9 Ų55.924%0.24231%0.309CS..PPolyproline II helixtrans-78.5121.8172.5-175.90000109.1F788 K842F788-V845 HydrophobicContact CE1-CG1 4Å; F788-V845 HydrophobicContact CZ-CG1 4.44Å; K842-V845 PolarHBondContact O-N 2.97Å
846A57.2Low77.7Confident46 Ų4653.5 Ų53.538%0.3830%0.299SS..PPolyproline II helixtrans-65.6148.8-179.300000111.7F788 I848F788-A846 HydrophobicContact CE2-CB 3.79Å; F788-A846 HydrophobicContact CZ-CB 3.66Å; F788-A846 VanDerWaalsContact CZ-O 3.32Å; F788-A846 WeakPolarHBondContact CZ-O 3.39Å; A846-I848 PolarHBondContact O-N 3.11Å
847K71.3Confident77.7Confident159 Ų15953.5 Ų53.569%0.69130%0.298SS*.PPolyproline II helixtrans-60.5118.2-176.6170.2149.5-170.8-178.30111.2
848I85.4Confident77.4Confident6 Ų652.5 Ų52.53%0.03129%0.293CS..PPolyproline II helixtrans-81.5136.3167.8-171.9162.9000109.9Y789 L836 Q840 A846 D852 I853 V900Y789-I848 HydrophobicContact CE2-CD1 4.42Å; Y789-I848 WeakPolarHBondContact OH-CB 3.42Å; Y789-I848 WeakPolarHBondContact OH-CD1 3.15Å; L836-I848 WeakPolarHBondContact O-CG2 3.48Å; Q840-I848 PolarHBondContact NE2-O 3Å; A846-I848 PolarHBondContact O-N 3.11Å; I848-D852 HydrophobicContact CD1-CB 3.9Å; I848-D852 HydrophobicContact CG1-CB 3.67Å; I848-I853 HydrophobicContact CD1-CD1 4.09Å; I848-I853 HydrophobicContact CD1-CG1 3.54Å; I848-I853 HydrophobicContact CG1-CD1 4.48Å; I848-I853 HydrophobicContact CG1-CG1 4.17Å; I848-V900 HydrophobicContact CD1-CB 4.4Å; I848-V900 HydrophobicContact CD1-CG2 3.6Å
849A87.6Confident77.1Confident29 Ų2947.3 Ų47.324%0.2427%0.269CS..PPolyproline II helixtrans-97.7153.2172.400000110.5K851 D852A849-K851 HydrophobicContact CB-CG 3.88Å; A849-K851 PolarHBondContact O-N 2.72Å; A849-K851 VanDerWaalsContact O-N 3.1Å; A849-D852 PolarHBondContact N-OD2 2.91Å; A849-D852 WeakPolarHBondContact O-CB 3.26Å; A849-D852 PolarHBondContact O-N 3.47Å
850P90.2Very high77Confident13 Ų1348.7 Ų48.78%0.08427%0.271CS..G310 helixtrans-51.5-35.8176.4-29.235.9000113.8L837 D852 I853 D881 L885L837-P850 HydrophobicContact CD2-CG 4.44Å; P850-D852 PolarHBondContact O-N 2.96Å; P850-D852 VanDerWaalsContact O-N 3.17Å; P850-I853 PolarHBondContact O-N 2.7Å; P850-I853 VanDerWaalsContact O-N 3.08Å; P850-D881 WeakPolarHBondContact CB-O 3.32Å; P850-D881 HydrophobicContact CG-CB 4.37Å; P850-L885 HydrophobicContact CB-CB 4.16Å; P850-L885 WeakPolarHBondContact O-CA 3.35Å
851K90.8Very high77.8Confident132 Ų13246.7 Ų46.757%0.57426%0.262SS*.G310 helixtrans-59.9-22.4175.769.6178.9-176.5178.20114.9A849 I853 N884 R898A849-K851 HydrophobicContact CB-CG 3.88Å; A849-K851 PolarHBondContact O-N 2.72Å; A849-K851 VanDerWaalsContact O-N 3.1Å; K851-I853 VanDerWaalsContact C-N 3.3Å; K851-N884 WeakPolarHBondContact CA-O 3.44Å; K851-N884 HydrophobicContact CB-CB 4.21Å; K851-R898 WeakPolarHBondContact O-CD 3.41Å; K851-R898 PolarHBondContact O-NE 2.93Å
852D91.9Very high79.2Confident34 Ų3443.7 Ų43.718%0.18223%0.231CC..G310 helixtrans-85.7-5.4-179.7-59.7-41.2000112.3I848 A849 P850 R898 R899 V900I848-D852 HydrophobicContact CD1-CB 3.9Å; I848-D852 HydrophobicContact CG1-CB 3.67Å; A849-D852 PolarHBondContact N-OD2 2.91Å; A849-D852 WeakPolarHBondContact O-CB 3.26Å; A849-D852 PolarHBondContact O-N 3.47Å; P850-D852 PolarHBondContact O-N 2.96Å; P850-D852 VanDerWaalsContact O-N 3.17Å; D852-R898 WeakPolarHBondContact O-CB 3.49Å; D852-R899 HydrophobicContact CB-CB 4.08Å; D852-R899 PolarHBondContact O-N 3.18Å; D852-R899 IonicContact OD2-NH1 3.97Å; D852-V900 PolarHBondContact O-N 3.06Å; D852-V900 VanDerWaalsContact O-N 3.12Å
853I94.9Very high80.7Confident0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-107138.1179.8-54.3174.3000109L836 L837 I848 P850 K851 L885 K886 V900 L902L836-I853 HydrophobicContact CB-CD1 4.34Å; L836-I853 HydrophobicContact CD1-CD1 4.43Å; L837-I853 HydrophobicContact CD2-CD1 4.05Å; L837-I853 HydrophobicContact CG-CD1 4.41Å; I848-I853 HydrophobicContact CD1-CD1 4.09Å; I848-I853 HydrophobicContact CD1-CG1 3.54Å; I848-I853 HydrophobicContact CG1-CD1 4.48Å; I848-I853 HydrophobicContact CG1-CG1 4.17Å; P850-I853 PolarHBondContact O-N 2.7Å; P850-I853 VanDerWaalsContact O-N 3.08Å; K851-I853 VanDerWaalsContact C-N 3.3Å; I853-L885 HydrophobicContact CB-CD1 3.83Å; I853-L885 HydrophobicContact CB-CG 4.01Å; I853-L885 HydrophobicContact CD1-CD1 4.33Å; I853-L885 HydrophobicContact CG2-CD1 3.73Å; I853-L885 HydrophobicContact CG2-CG 4.1Å; I853-K886 PolarHBondContact O-N 2.8Å; I853-V900 WeakPolarHBondContact CA-O 3.48Å; I853-V900 HydrophobicContact CG1-CB 4.47Å; I853-L902 HydrophobicContact CG2-CD1 3.57Å
854G96.4Very high82.1Confident0 Ų031.1 Ų31.10%018%0.178CC..EExtended strand (participates in β ladder)trans-128.3143.916900000111.8K886 V900 I901 L902G854-K886 CarbonylContact C-O 3.58Å; G854-K886 VanDerWaalsContact CA-O 3.31Å; G854-K886 WeakPolarHBondContact CA-O 3.04Å; G854-V900 PolarHBondContact N-O 3.22Å; G854-I901 WeakPolarHBondContact O-CA 3.3Å; G854-L902 PolarHBondContact O-N 3.12Å
855I97.3Very high83.7Confident0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans-119.7122.9172.8-52.7176.8000109.3L829 M830 V833 I866 L870 L885 K886 V887 G888 F893 L902L829-I855 HydrophobicContact CD1-CG2 4.35Å; M830-I855 HydrophobicContact CE-CD1 3.91Å; V833-I855 HydrophobicContact CG2-CD1 4.02Å; I855-I866 HydrophobicContact CD1-CG2 3.81Å; I855-I866 HydrophobicContact CG2-CD1 3.89Å; I855-I866 HydrophobicContact CG2-CG2 4.23Å; I855-L870 HydrophobicContact CD1-CD1 4.3Å; I855-L870 HydrophobicContact CD1-CD2 4.45Å; I855-L885 HydrophobicContact CD1-CD2 3.88Å; I855-L885 HydrophobicContact CG1-CD2 3.85Å; I855-K886 PolarHBondContact N-O 2.85Å; I855-V887 HydrophobicContact CB-CG1 4.24Å; I855-V887 HydrophobicContact CB-CG2 4.3Å; I855-V887 HydrophobicContact CD1-CG2 4.49Å; I855-V887 WeakPolarHBondContact O-CA 3.3Å; I855-G888 PolarHBondContact O-N 2.85Å; I855-G888 VanDerWaalsContact O-N 3.17Å; I855-F893 WeakPolarHBondContact O-CE2 3.36Å; I855-L902 CarbonylContact C-O 3.35Å; I855-L902 VanDerWaalsContact CA-O 3.31Å; I855-L902 WeakPolarHBondContact CA-O 3.15Å; I855-L902 HydrophobicContact CG1-CB 4.26Å; I855-L902 HydrophobicContact CG1-CD1 4.27Å; I855-L902 HydrophobicContact CG2-CB 4.47Å
856I94Very high85.3Confident0 Ų025.7 Ų25.70%013%0.129CC..EExtended strand (participates in β ladder)trans-106.7127.9-178.9-54179.1000109.1G888 V890 F893 I901 L902 V903 S904 F923 A933 R936I856-G888 WeakPolarHBondContact CA-O 3.3Å; I856-V890 HydrophobicContact CG2-CB 4.33Å; I856-V890 HydrophobicContact CG2-CG2 3.73Å; I856-F893 HydrophobicContact CD1-CB 4.07Å; I856-F893 HydrophobicContact CD1-CD1 4.07Å; I856-F893 HydrophobicContact CD1-CD2 4.43Å; I856-F893 HydrophobicContact CD1-CG 3.95Å; I856-F893 HydrophobicContact CG1-CB 4.33Å; I856-F893 HydrophobicContact CG1-CD1 3.99Å; I856-F893 HydrophobicContact CG1-CD2 3.77Å; I856-F893 HydrophobicContact CG1-CE1 4.17Å; I856-F893 HydrophobicContact CG1-CE2 3.93Å; I856-F893 HydrophobicContact CG1-CG 3.77Å; I856-F893 HydrophobicContact CG1-CZ 4.12Å; I856-I901 HydrophobicContact CD1-CD1 4.41Å; I856-I901 HydrophobicContact CD1-CG2 3.72Å; I856-I901 HydrophobicContact CG1-CG2 4.07Å; I856-L902 PolarHBondContact N-O 3.26Å; I856-V903 HydrophobicContact CB-CG2 4.43Å; I856-V903 CarbonylContact O-C 3.56Å; I856-V903 WeakPolarHBondContact O-CA 3.35Å; I856-S904 PolarHBondContact O-N 3.4Å; I856-F923 HydrophobicContact CG2-CZ 4.14Å; I856-A933 HydrophobicContact CD1-CB 4.48Å; I856-R936 HydrophobicContact CD1-CB 4.07Å; I856-R936 HydrophobicContact CD1-CG 3.65Å
857A90.1Very high86.9Confident0 Ų028.9 Ų28.90%013%0.131CC..  trans-141.5134.6172.100000110.2Y859 Q862 V863 I866 G888 S889A857-Y859 VanDerWaalsContact C-N 3.25Å; A857-Y859 PolarHBondContact O-N 2.63Å; A857-Q862 HydrophobicContact CB-CB 4.06Å; A857-Q862 HydrophobicContact CB-CG 3.73Å; A857-V863 HydrophobicContact CB-CG2 4.08Å; A857-I866 HydrophobicContact CB-CD1 4.04Å; A857-G888 PolarHBondContact N-O 3.15Å; A857-G888 VanDerWaalsContact N-O 3.09Å; A857-S889 WeakPolarHBondContact O-CA 3.35Å
858P79.9Confident87.8Confident1 Ų125.3 Ų25.31%0.00612%0.117CC..SBendtrans-79.8-11.6-171.731.2-31.3000112.4S904 F923 L1013P858-S904 WeakPolarHBondContact CD-O 3.25Å; P858-F923 HydrophobicContact CB-CD2 4.35Å; P858-F923 HydrophobicContact CB-CE2 4.29Å; P858-F923 HydrophobicContact CB-CZ 4.48Å; P858-F923 VanDerWaalsContact CD-CE2 3.41Å; P858-F923 HydrophobicContact CG-CD2 3.59Å; P858-F923 HydrophobicContact CG-CE2 3.65Å; P858-F923 HydrophobicContact CG-CG 4.24Å; P858-F923 HydrophobicContact CG-CZ 4.3Å; P858-L1013 WeakPolarHBondContact O-CD2 3.43Å
859Y77.4Confident88.1Confident0 Ų025 Ų250%012%0.116CC..SBendtrans-108.7128.1179.1-58.3-90.3000111F820 A857 K861 Q862 V863 V906 R907 G922 Q1012F820-Y859 HydrophobicContact CB-CD1 3.78Å; F820-Y859 HydrophobicContact CB-CE1 4.09Å; F820-Y859 HydrophobicContact CB-CG 4.1Å; F820-Y859 HydrophobicContact CD2-CD1 4.09Å; F820-Y859 AromaticContact CD2-CE1 3.89Å; F820-Y859 HydrophobicContact CD2-CE1 3.89Å; F820-Y859 HydrophobicContact CG-CD1 4.42Å; F820-Y859 HydrophobicContact CG-CE1 4.37Å; F820-Y859 WeakPolarHBondContact O-CB 3.47Å; A857-Y859 VanDerWaalsContact C-N 3.25Å; A857-Y859 PolarHBondContact O-N 2.63Å; Y859-K861 VanDerWaalsContact C-N 3.3Å; Y859-K861 PolarHBondContact O-N 2.92Å; Y859-Q862 VanDerWaalsContact O-CB 3.29Å; Y859-Q862 WeakPolarHBondContact O-CB 3.17Å; Y859-Q862 PolarHBondContact O-N 2.79Å; Y859-Q862 VanDerWaalsContact O-N 3.1Å; Y859-V863 PolarHBondContact O-N 2.68Å; Y859-V863 VanDerWaalsContact O-N 3.1Å; Y859-V906 HydrophobicContact CD2-CB 3.49Å; Y859-V906 VanDerWaalsContact CD2-CB 3.49Å; Y859-V906 HydrophobicContact CD2-CG1 3.73Å; Y859-V906 HydrophobicContact CD2-CG2 3.66Å; Y859-V906 HydrophobicContact CE2-CB 3.82Å; Y859-V906 HydrophobicContact CE2-CG1 4.22Å; Y859-V906 HydrophobicContact CE2-CG2 4.38Å; Y859-V906 HydrophobicContact CG-CB 4.49Å; Y859-V906 HydrophobicContact CG-CG1 4.32Å; Y859-R907 HydrophobicContact CE2-CG 3.82Å; Y859-R907 WeakPolarHBondContact OH-CD 3.35Å; Y859-R907 VanDerWaalsContact OH-CG 3.22Å; Y859-R907 WeakPolarHBondContact OH-CG 3.39Å; Y859-G922 VanDerWaalsContact OH-CA 3.31Å; Y859-G922 WeakPolarHBondContact OH-CA 3.37Å; Y859-Q1012 HydrophobicContact CD1-CB 4.27Å; Y859-Q1012 HydrophobicContact CD1-CG 4.12Å; Y859-Q1012 HydrophobicContact CE1-CB 4.49Å; Y859-Q1012 HydrophobicContact CE1-CG 4.17Å
860R73Confident88.4Confident45 Ų4524 Ų2417%0.1711%0.106CC..Hα-helixtrans-57.5-39.5179.7-160.2-177.463.362.5-17.6113.5E415 S819 Q862 V863 Q864E415-R860 VanDerWaalsContact CD-CZ 3.47Å; E415-R860 IonicContact OE1-CZ 2.95Å; E415-R860 IonicContact OE1-NH1 2.64Å; E415-R860 PolarHBondContact OE1-NH1 2.98Å; E415-R860 IonicContact OE2-CZ 3.24Å; E415-R860 IonicContact OE2-NH1 3.86Å; E415-R860 PolarHBondContact OE2-NH1 3.35Å; E415-R860 IonicContact OE2-NH2 3.8Å; E415-R860 PolarHBondContact OE2-NH2 3.34Å; S819-R860 PolarHBondContact OG-N 3.46Å; R860-Q862 VanDerWaalsContact C-N 3.31Å; R860-Q862 PolarHBondContact O-N 3.12Å; R860-V863 WeakPolarHBondContact O-CB 3.35Å; R860-V863 PolarHBondContact O-N 3.2Å; R860-Q864 PolarHBondContact O-N 3.38Å
861K78.5Confident88.3Confident14 Ų1428 Ų286%0.06113%0.127CC..Hα-helixtrans-67.1-35.1179-166.159.3169.5179.70111.7E814 S819 F821 Y859 Q864 K865E814-K861 WeakPolarHBondContact OE1-CE 3.24Å; E814-K861 IonicContact OE1-NZ 3.5Å; E814-K861 PolarHBondContact OE1-NZ 3.42Å; S819-K861 WeakPolarHBondContact O-CB 3.34Å; S819-K861 PolarHBondContact OG-N 3.31Å; F821-K861 HydrophobicContact CB-CB 4.26Å; F821-K861 HydrophobicContact CB-CG 4.08Å; F821-K861 HydrophobicContact CD1-CB 4.31Å; F821-K861 HydrophobicContact CD1-CG 3.47Å; F821-K861 VanDerWaalsContact CD1-CG 3.47Å; F821-K861 HydrophobicContact CE1-CG 4.19Å; F821-K861 HydrophobicContact CG-CG 4.06Å; Y859-K861 VanDerWaalsContact C-N 3.3Å; Y859-K861 PolarHBondContact O-N 2.92Å; K861-Q864 VanDerWaalsContact CD-OE1 3.26Å; K861-Q864 PolarHBondContact O-N 2.84Å; K861-K865 WeakPolarHBondContact O-CG 3.47Å; K861-K865 PolarHBondContact O-N 2.52Å
862Q86.2Confident88.1Confident0 Ų024.2 Ų24.20%011%0.11CC..Hα-helixtrans-61.2-46.3170.1-172.172.8-14.100111.6F820 F821 N822 V826 A857 Y859 R860 Q864 K865 I866 S904 V906F820-Q862 PolarHBondContact O-N 2.82Å; F821-Q862 VanDerWaalsContact CA-OE1 3.23Å; F821-Q862 HydrophobicContact CB-CB 4.38Å; F821-Q862 VanDerWaalsContact CB-OE1 3.28Å; N822-Q862 PolarHBondContact O-NE2 2.76Å; N822-Q862 PolarHBondContact O-OE1 2.93Å; V826-Q862 VanDerWaalsContact CG2-NE2 3.31Å; A857-Q862 HydrophobicContact CB-CB 4.06Å; A857-Q862 HydrophobicContact CB-CG 3.73Å; Y859-Q862 VanDerWaalsContact O-CB 3.29Å; Y859-Q862 WeakPolarHBondContact O-CB 3.17Å; Y859-Q862 PolarHBondContact O-N 2.79Å; Y859-Q862 VanDerWaalsContact O-N 3.1Å; R860-Q862 VanDerWaalsContact C-N 3.31Å; R860-Q862 PolarHBondContact O-N 3.12Å; Q862-Q864 VanDerWaalsContact C-N 3.26Å; Q862-Q864 PolarHBondContact O-N 3.12Å; Q862-K865 PolarHBondContact O-N 3Å; Q862-I866 HydrophobicContact CG-CD1 3.77Å; Q862-I866 HydrophobicContact CG-CG1 4.35Å; Q862-I866 VanDerWaalsContact O-CG1 3.26Å; Q862-I866 WeakPolarHBondContact O-CG1 3.41Å; Q862-I866 PolarHBondContact O-N 3.38Å; Q862-S904 PolarHBondContact NE2-OG 3.41Å; Q862-V906 HydrophobicContact CB-CG2 3.73Å; Q862-V906 HydrophobicContact CG-CG2 3.44Å; Q862-V906 VanDerWaalsContact CG-CG2 3.44Å
863V86.1Confident87.9Confident5 Ų522.6 Ų22.63%0.0310%0.102CC..Hα-helixtrans-55.4-42.5175.6169.90000111.4A857 Y859 R860 I866 R867 V887A857-V863 HydrophobicContact CB-CG2 4.08Å; Y859-V863 PolarHBondContact O-N 2.68Å; Y859-V863 VanDerWaalsContact O-N 3.1Å; R860-V863 WeakPolarHBondContact O-CB 3.35Å; R860-V863 PolarHBondContact O-N 3.2Å; V863-I866 PolarHBondContact O-N 3.27Å; V863-R867 VanDerWaalsContact CG1-CZ 3.49Å; V863-R867 WeakPolarHBondContact O-CG 3.49Å; V863-R867 PolarHBondContact O-N 3.48Å; V863-V887 HydrophobicContact CB-CG1 4.38Å; V863-V887 HydrophobicContact CG1-CB 4.47Å; V863-V887 HydrophobicContact CG1-CG1 3.9Å; V863-V887 HydrophobicContact CG2-CG1 4.41Å
864Q83.3Confident87.5Confident52 Ų5223 Ų2324%0.24311%0.105CC..Hα-helixtrans-63.4-48.5177.1-170.5-17624.500112.1R860 K861 Q862 I866 R867 Q868R860-Q864 PolarHBondContact O-N 3.38Å; K861-Q864 VanDerWaalsContact CD-OE1 3.26Å; K861-Q864 PolarHBondContact O-N 2.84Å; Q862-Q864 VanDerWaalsContact C-N 3.26Å; Q862-Q864 PolarHBondContact O-N 3.12Å; Q864-I866 VanDerWaalsContact C-N 3.3Å; Q864-I866 PolarHBondContact O-N 3.46Å; Q864-R867 PolarHBondContact O-N 3.33Å; Q864-Q868 WeakPolarHBondContact O-CG 3.42Å; Q864-Q868 PolarHBondContact O-N 3.43Å
865K88.7Confident87.1Confident4 Ų430.8 Ų30.82%0.01714%0.139CC..Hα-helixtrans-62.6-37.4178.8-65.8-76.1-177.4171.80111.4L271 A272 E814 F821 V826 K861 Q862 Q868 A869L271-K865 HydrophobicContact CB-CD 4.38Å; L271-K865 HydrophobicContact CD2-CD 4.13Å; L271-K865 WeakPolarHBondContact O-CE 3.06Å; L271-K865 PolarHBondContact O-NZ 3.02Å; A272-K865 PolarHBondContact O-NZ 2.95Å; E814-K865 IonicContact OE1-NZ 3.87Å; E814-K865 WeakPolarHBondContact OE2-CE 3.23Å; E814-K865 IonicContact OE2-NZ 2.78Å; E814-K865 PolarHBondContact OE2-NZ 3.3Å; F821-K865 HydrophobicContact CB-CG 4.16Å; F821-K865 HydrophobicContact CD2-CD 4.22Å; F821-K865 HydrophobicContact CD2-CG 3.9Å; F821-K865 HydrophobicContact CE2-CD 4.33Å; F821-K865 HydrophobicContact CE2-CG 4.49Å; F821-K865 HydrophobicContact CG-CG 4.09Å; V826-K865 HydrophobicContact CG2-CB 4.33Å; K861-K865 WeakPolarHBondContact O-CG 3.47Å; K861-K865 PolarHBondContact O-N 2.52Å; Q862-K865 PolarHBondContact O-N 3Å; K865-Q868 PolarHBondContact O-N 3.48Å; K865-A869 WeakPolarHBondContact O-CB 3.33Å; K865-A869 PolarHBondContact O-N 2.96Å
866I92Very high86.5Confident0 Ų035.7 Ų35.70%017%0.166CC..Hα-helixtrans-63.7-46173.7-67.1164.5000111V826 L829 M830 I855 A857 Q862 V863 Q864 Q868 A869 L870 V887V826-I866 HydrophobicContact CG1-CG1 4.27Å; V826-I866 HydrophobicContact CG2-CG1 3.85Å; L829-I866 HydrophobicContact CD1-CD1 4.16Å; M830-I866 HydrophobicContact CE-CG2 4.04Å; I855-I866 HydrophobicContact CD1-CG2 3.81Å; I855-I866 HydrophobicContact CG2-CD1 3.89Å; I855-I866 HydrophobicContact CG2-CG2 4.23Å; A857-I866 HydrophobicContact CB-CD1 4.04Å; Q862-I866 HydrophobicContact CG-CD1 3.77Å; Q862-I866 HydrophobicContact CG-CG1 4.35Å; Q862-I866 VanDerWaalsContact O-CG1 3.26Å; Q862-I866 WeakPolarHBondContact O-CG1 3.41Å; Q862-I866 PolarHBondContact O-N 3.38Å; V863-I866 PolarHBondContact O-N 3.27Å; Q864-I866 VanDerWaalsContact C-N 3.3Å; Q864-I866 PolarHBondContact O-N 3.46Å; I866-Q868 PolarHBondContact O-N 2.96Å; I866-A869 PolarHBondContact O-N 2.77Å; I866-L870 HydrophobicContact CG2-CD1 4.03Å; I866-L870 HydrophobicContact CG2-CG 4.32Å; I866-L870 WeakPolarHBondContact O-CG 3.44Å; I866-L870 PolarHBondContact O-N 3.39Å; I866-V887 HydrophobicContact CB-CG1 4.03Å; I866-V887 HydrophobicContact CD1-CG1 4.4Å; I866-V887 HydrophobicContact CG2-CB 4.5Å; I866-V887 HydrophobicContact CG2-CG1 3.68Å; I866-V887 HydrophobicContact CG2-CG2 3.96Å
867R90.6Very high86.1Confident112 Ų11238 Ų3842%0.42318%0.178SC..Hα-helixtrans-61.4-44.4177.6-73.2178.1-175.5151.72.7111.7V863 Q864 A869 L870 D871 V887V863-R867 VanDerWaalsContact CG1-CZ 3.49Å; V863-R867 WeakPolarHBondContact O-CG 3.49Å; V863-R867 PolarHBondContact O-N 3.48Å; Q864-R867 PolarHBondContact O-N 3.33Å; R867-A869 VanDerWaalsContact C-N 3.31Å; R867-A869 PolarHBondContact O-N 3.27Å; R867-L870 PolarHBondContact O-N 3.47Å; R867-D871 PolarHBondContact O-N 3.23Å; R867-V887 HydrophobicContact CG-CB 4.13Å; R867-V887 HydrophobicContact CG-CG2 4.29Å; R867-V887 PolarHBondContact NH2-O 2.89Å
868Q89.9Confident85.8Confident85 Ų8547.1 Ų47.140%0.39722%0.217SC..Hα-helixtrans-58.3-43.7174.3-71.5173.9-800111.8L271 Q864 K865 I866 D871 K872L271-Q868 HydrophobicContact CD2-CB 4.16Å; Q864-Q868 WeakPolarHBondContact O-CG 3.42Å; Q864-Q868 PolarHBondContact O-N 3.43Å; K865-Q868 PolarHBondContact O-N 3.48Å; I866-Q868 PolarHBondContact O-N 2.96Å; Q868-D871 PolarHBondContact O-N 3.31Å; Q868-K872 PolarHBondContact O-N 2.9Å
869A92.4Very high85.8Confident0 Ų048.8 Ų48.80%023%0.229CC..Hα-helixtrans-65-42.917700000112.1L267 L271 V826 M830 K865 I866 R867 D871 K872 V873L267-A869 HydrophobicContact CD1-CB 4.27Å; L267-A869 HydrophobicContact CD2-CB 4.38Å; L271-A869 HydrophobicContact CD1-CB 4Å; V826-A869 HydrophobicContact CG1-CB 3.65Å; M830-A869 HydrophobicContact CG-CB 3.7Å; M830-A869 HydrophobicContact SD-CB 3.82Å; K865-A869 WeakPolarHBondContact O-CB 3.33Å; K865-A869 PolarHBondContact O-N 2.96Å; I866-A869 PolarHBondContact O-N 2.77Å; R867-A869 VanDerWaalsContact C-N 3.31Å; R867-A869 PolarHBondContact O-N 3.27Å; A869-D871 VanDerWaalsContact C-N 3.34Å; A869-D871 PolarHBondContact O-N 2.89Å; A869-K872 WeakPolarHBondContact O-CB 3.36Å; A869-K872 PolarHBondContact O-N 3.46Å; A869-V873 WeakPolarHBondContact O-CG2 3.26Å; A869-V873 PolarHBondContact O-N 3.21Å
870L92.1Very high85.6Confident7 Ų758.3 Ų58.34%0.03727%0.27CS..Hα-helixtrans-61.1-39.4177.2-76.3171.2000112.6M830 V833 I855 I866 R867 K872 V873 G874 M882 L885 V887M830-L870 HydrophobicContact CE-CD2 3.82Å; M830-L870 HydrophobicContact CE-CG 4Å; M830-L870 HydrophobicContact SD-CD2 3.71Å; M830-L870 HydrophobicContact SD-CG 3.93Å; V833-L870 HydrophobicContact CG1-CD2 4.05Å; V833-L870 HydrophobicContact CG2-CD2 4.49Å; I855-L870 HydrophobicContact CD1-CD1 4.3Å; I855-L870 HydrophobicContact CD1-CD2 4.45Å; I866-L870 HydrophobicContact CG2-CD1 4.03Å; I866-L870 HydrophobicContact CG2-CG 4.32Å; I866-L870 WeakPolarHBondContact O-CG 3.44Å; I866-L870 PolarHBondContact O-N 3.39Å; R867-L870 PolarHBondContact O-N 3.47Å; L870-K872 VanDerWaalsContact C-N 3.26Å; L870-K872 PolarHBondContact O-N 3.05Å; L870-V873 PolarHBondContact O-N 3.41Å; L870-G874 PolarHBondContact O-N 2.87Å; L870-M882 HydrophobicContact CB-CG 4.21Å; L870-M882 HydrophobicContact CD2-SD 4.02Å; L870-L885 HydrophobicContact CD1-CD2 3.73Å; L870-L885 HydrophobicContact CD2-CD1 4.09Å; L870-V887 HydrophobicContact CD1-CG2 3.37Å
871D88.6Confident86Confident97 Ų9760.8 Ų60.852%0.51929%0.286SS..Hα-helixtrans-60.1-39.1176.5-73.8-24.1000111.6R867 Q868 A869 K875R867-D871 PolarHBondContact O-N 3.23Å; Q868-D871 PolarHBondContact O-N 3.31Å; A869-D871 VanDerWaalsContact C-N 3.34Å; A869-D871 PolarHBondContact O-N 2.89Å; D871-K875 WeakPolarHBondContact O-CG 3.25Å; D871-K875 PolarHBondContact O-N 2.86Å; D871-K875 VanDerWaalsContact O-N 3.17Å
872K87.4Confident86.4Confident52 Ų5260.6 Ų60.623%0.22629%0.286CS..Hα-helixtrans-68.4-49.6174.7-174.5171.9176-177.50111.3L267 E270 Q868 A869 L870 G874 K875 D876L267-K872 HydrophobicContact CD1-CD 3.98Å; E270-K872 IonicContact OE1-NZ 2.8Å; E270-K872 PolarHBondContact OE1-NZ 2.82Å; E270-K872 WeakPolarHBondContact OE2-CD 3.49Å; E270-K872 IonicContact OE2-NZ 3.32Å; E270-K872 PolarHBondContact OE2-NZ 3.35Å; Q868-K872 PolarHBondContact O-N 2.9Å; A869-K872 WeakPolarHBondContact O-CB 3.36Å; A869-K872 PolarHBondContact O-N 3.46Å; L870-K872 VanDerWaalsContact C-N 3.26Å; L870-K872 PolarHBondContact O-N 3.05Å; K872-G874 PolarHBondContact O-N 2.82Å; K872-K875 WeakPolarHBondContact O-CB 3.37Å; K872-K875 PolarHBondContact O-N 3.09Å; K872-K875 VanDerWaalsContact O-N 3.08Å; K872-D876 VanDerWaalsContact O-CG 3.28Å; K872-D876 PolarHBondContact O-N 2.79Å
873V87.5Confident86.1Confident1 Ų165.4 Ų65.41%0.00632%0.319CS..Hα-helixtrans-57.5-38.6176.2177.20000111.7M830 R834 A869 L870 D876 L877 M882M830-V873 HydrophobicContact CB-CG2 4.15Å; M830-V873 HydrophobicContact CG-CG2 4.17Å; M830-V873 HydrophobicContact SD-CG2 3.91Å; R834-V873 HydrophobicContact CG-CG1 3.82Å; A869-V873 WeakPolarHBondContact O-CG2 3.26Å; A869-V873 PolarHBondContact O-N 3.21Å; L870-V873 PolarHBondContact O-N 3.41Å; V873-D876 PolarHBondContact O-N 2.86Å; V873-L877 HydrophobicContact CG1-CD1 3.67Å; V873-L877 HydrophobicContact CG1-CG 4.11Å; V873-L877 WeakPolarHBondContact O-CB 2.9Å; V873-L877 WeakPolarHBondContact O-CG 3.42Å; V873-L877 PolarHBondContact O-N 2.76Å; V873-M882 HydrophobicContact CG1-CE 4.14Å
874G86.6Confident86.2Confident7 Ų769.3 Ų69.37%0.07234%0.34CS..Hα-helixtrans-62.7-41.8176.700000112.6L870 K872 K878 C879L870-G874 PolarHBondContact O-N 2.87Å; K872-G874 PolarHBondContact O-N 2.82Å; G874-K878 CarbonylContact O-C 3.57Å; G874-K878 WeakPolarHBondContact O-CA 3.44Å; G874-K878 PolarHBondContact O-N 3.07Å; G874-C879 PolarHBondContact O-N 3.41Å
875K86.9Confident86.6Confident164 Ų16467.3 Ų67.371%0.71333%0.331SS*.Hα-helixtrans-65-47173.8-70.2170.7-173.6175.60111.4D871 K872 L877 K878D871-K875 WeakPolarHBondContact O-CG 3.25Å; D871-K875 PolarHBondContact O-N 2.86Å; D871-K875 VanDerWaalsContact O-N 3.17Å; K872-K875 WeakPolarHBondContact O-CB 3.37Å; K872-K875 PolarHBondContact O-N 3.09Å; K872-K875 VanDerWaalsContact O-N 3.08Å; K875-L877 VanDerWaalsContact C-N 3.35Å; K875-L877 PolarHBondContact O-N 2.92Å; K875-K878 PolarHBondContact O-N 2.91Å; K875-K878 VanDerWaalsContact O-N 3.13Å
876D85.9Confident86.6Confident104 Ų10469.1 Ų69.156%0.55634%0.339SS*.Hα-helixtrans-61.9-41.8-179-64.4-16.6000111.8K872 V873 K878K872-D876 VanDerWaalsContact O-CG 3.28Å; K872-D876 PolarHBondContact O-N 2.79Å; V873-D876 PolarHBondContact O-N 2.86Å; D876-K878 VanDerWaalsContact C-N 3.33Å
877L84.9Confident86.6Confident48 Ų4869.3 Ų69.325%0.25134%0.34SS..THydrogen-bonded Turntrans-84.6-1.4178.2-62.8-178.6000113.9R834 L837 Q838 V873 K875 C879R834-L877 HydrophobicContact CG-CD1 4.24Å; L837-L877 HydrophobicContact CB-CD1 4.04Å; L837-L877 HydrophobicContact CD1-CD1 4.05Å; Q838-L877 HydrophobicContact CG-CD2 3.91Å; Q838-L877 VanDerWaalsContact NE2-CD2 3.33Å; V873-L877 HydrophobicContact CG1-CD1 3.67Å; V873-L877 HydrophobicContact CG1-CG 4.11Å; V873-L877 WeakPolarHBondContact O-CB 2.9Å; V873-L877 WeakPolarHBondContact O-CG 3.42Å; V873-L877 PolarHBondContact O-N 2.76Å; K875-L877 VanDerWaalsContact C-N 3.35Å; K875-L877 PolarHBondContact O-N 2.92Å; L877-C879 HydrophobicContact CB-CB 4.38Å; L877-C879 PolarHBondContact O-N 2.78Å
878K83.1Confident86.3Confident192 Ų19264 Ų6484%0.83532%0.32SS*.THydrogen-bonded Turntrans52.334.2-172.7-57.1179.7-178.9177.30113.3G874 K875 D876G874-K878 CarbonylContact O-C 3.57Å; G874-K878 WeakPolarHBondContact O-CA 3.44Å; G874-K878 PolarHBondContact O-N 3.07Å; K875-K878 PolarHBondContact O-N 2.91Å; K875-K878 VanDerWaalsContact O-N 3.13Å; D876-K878 VanDerWaalsContact C-N 3.33Å
879C80.1Confident85.9Confident36 Ų3660.6 Ų60.624%0.24331%0.306CS..  trans-91.5103.8-179.2-178.20000110.3G874 L877 D881 M882G874-C879 PolarHBondContact O-N 3.41Å; L877-C879 HydrophobicContact CB-CB 4.38Å; L877-C879 PolarHBondContact O-N 2.78Å; C879-D881 VanDerWaalsContact C-N 3.28Å; C879-D881 PolarHBondContact O-N 3.21Å; C879-M882 HydrophobicContact CB-CE 4.2Å
880K73.6Confident85.4Confident200 Ų20060.6 Ų60.687%0.8731%0.306SS*.THydrogen-bonded Turntrans-67.3-25.2-177.6-67.3-174.6177.4-177.80114.2
881D82Confident84.7Confident96 Ų9661.2 Ų61.251%0.51331%0.308SS..THydrogen-bonded Turntrans-99.419.3-173-60.3-38.1000113.6P850 C879 S883 N884P850-D881 WeakPolarHBondContact CB-O 3.32Å; P850-D881 HydrophobicContact CG-CB 4.37Å; C879-D881 VanDerWaalsContact C-N 3.28Å; C879-D881 PolarHBondContact O-N 3.21Å; D881-S883 PolarHBondContact O-N 3.43Å; D881-N884 WeakPolarHBondContact O-CB 3.15Å; D881-N884 PolarHBondContact O-N 2.91Å
882M86.1Confident84Confident10 Ų1058.2 Ų58.25%0.04929%0.291CS..G310 helixtrans-61.4-30.5-176.3-169.463.878.400112.8L837 L870 V873 C879 N884 L885L837-M882 HydrophobicContact CD1-CE 3.47Å; L837-M882 VanDerWaalsContact CD1-CE 3.47Å; L837-M882 HydrophobicContact CD1-SD 4.09Å; L870-M882 HydrophobicContact CB-CG 4.21Å; L870-M882 HydrophobicContact CD2-SD 4.02Å; V873-M882 HydrophobicContact CG1-CE 4.14Å; C879-M882 HydrophobicContact CB-CE 4.2Å; M882-N884 PolarHBondContact O-N 2.74Å; M882-N884 VanDerWaalsContact O-N 3.14Å; M882-L885 VanDerWaalsContact O-CB 3.3Å; M882-L885 WeakPolarHBondContact O-CB 3.49Å; M882-L885 PolarHBondContact O-N 3.45Å; M882-L885 HydrophobicContact SD-CD1 4.34Å
883S81.2Confident83.7Confident101 Ų10155.7 Ų55.771%0.70628%0.28SS*.G310 helixtrans-62-18.117654.70000114D881 L885D881-S883 PolarHBondContact O-N 3.43Å; S883-L885 VanDerWaalsContact C-N 3.28Å
884N86.3Confident83.2Confident88 Ų8856.5 Ų56.547%0.47128%0.284SS..G310 helixtrans-78.5-11.9176-66.1-32.7000112.9K851 D881 M882 K886K851-N884 WeakPolarHBondContact CA-O 3.44Å; K851-N884 HydrophobicContact CB-CB 4.21Å; D881-N884 WeakPolarHBondContact O-CB 3.15Å; D881-N884 PolarHBondContact O-N 2.91Å; M882-N884 PolarHBondContact O-N 2.74Å; M882-N884 VanDerWaalsContact O-N 3.14Å; N884-K886 PolarHBondContact O-N 3.45Å
885L91.8Very high82.6Confident9 Ų958 Ų585%0.04730%0.299CS..SBendtrans-69.9118.9171.7-169.8155.9000108.9V833 P850 I853 I855 L870 M882 S883 V887V833-L885 HydrophobicContact CG1-CD1 4.41Å; P850-L885 HydrophobicContact CB-CB 4.16Å; P850-L885 WeakPolarHBondContact O-CA 3.35Å; I853-L885 HydrophobicContact CB-CD1 3.83Å; I853-L885 HydrophobicContact CB-CG 4.01Å; I853-L885 HydrophobicContact CD1-CD1 4.33Å; I853-L885 HydrophobicContact CG2-CD1 3.73Å; I853-L885 HydrophobicContact CG2-CG 4.1Å; I855-L885 HydrophobicContact CD1-CD2 3.88Å; I855-L885 HydrophobicContact CG1-CD2 3.85Å; L870-L885 HydrophobicContact CD1-CD2 3.73Å; L870-L885 HydrophobicContact CD2-CD1 4.09Å; M882-L885 VanDerWaalsContact O-CB 3.3Å; M882-L885 WeakPolarHBondContact O-CB 3.49Å; M882-L885 PolarHBondContact O-N 3.45Å; M882-L885 HydrophobicContact SD-CD1 4.34Å; S883-L885 VanDerWaalsContact C-N 3.28Å; L885-V887 HydrophobicContact CD2-CG2 3.65Å; L885-V887 PolarHBondContact O-N 3.19Å
886K90.3Very high82.4Confident42 Ų4252.5 Ų52.518%0.18328%0.276CS..EExtended strand (participates in β ladder)trans-78.1127.2-178.8179.567.2177.6170.40109.3I853 G854 I855 N884 E892 F893 E1016I853-K886 PolarHBondContact O-N 2.8Å; G854-K886 CarbonylContact C-O 3.58Å; G854-K886 VanDerWaalsContact CA-O 3.31Å; G854-K886 WeakPolarHBondContact CA-O 3.04Å; I855-K886 PolarHBondContact N-O 2.85Å; N884-K886 PolarHBondContact O-N 3.45Å; K886-E892 WeakPolarHBondContact CE-OE2 3.2Å; K886-E892 IonicContact NZ-OE2 2.68Å; K886-E892 PolarHBondContact NZ-OE2 2.82Å; K886-F893 HydrophobicContact CB-CZ 3.99Å; K886-F893 HydrophobicContact CG-CE1 4.13Å; K886-F893 HydrophobicContact CG-CE2 3.82Å; K886-F893 HydrophobicContact CG-CZ 3.52Å; K886-F893 WeakPolarHBondContact O-CZ 3.33Å; K886-E1016 IonicContact NZ-OE1 3.83Å; K886-E1016 IonicContact NZ-OE2 2.65Å
887V90.4Very high82.5Confident4 Ų450.8 Ų50.82%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-123.8134168.2-169.50000107.8I855 V863 I866 R867 L870 L885I855-V887 HydrophobicContact CB-CG1 4.24Å; I855-V887 HydrophobicContact CB-CG2 4.3Å; I855-V887 HydrophobicContact CD1-CG2 4.49Å; I855-V887 WeakPolarHBondContact O-CA 3.3Å; V863-V887 HydrophobicContact CB-CG1 4.38Å; V863-V887 HydrophobicContact CG1-CB 4.47Å; V863-V887 HydrophobicContact CG1-CG1 3.9Å; V863-V887 HydrophobicContact CG2-CG1 4.41Å; I866-V887 HydrophobicContact CB-CG1 4.03Å; I866-V887 HydrophobicContact CD1-CG1 4.4Å; I866-V887 HydrophobicContact CG2-CB 4.5Å; I866-V887 HydrophobicContact CG2-CG1 3.68Å; I866-V887 HydrophobicContact CG2-CG2 3.96Å; R867-V887 HydrophobicContact CG-CB 4.13Å; R867-V887 HydrophobicContact CG-CG2 4.29Å; R867-V887 PolarHBondContact NH2-O 2.89Å; L870-V887 HydrophobicContact CD1-CG2 3.37Å; L885-V887 HydrophobicContact CD2-CG2 3.65Å; L885-V887 PolarHBondContact O-N 3.19Å
888G85.3Confident82.9Confident0 Ų050.8 Ų50.80%026%0.262CS..EExtended strand (participates in β ladder)trans-175.7176.3-173.700000113.1I855 I856 A857 E892I855-G888 PolarHBondContact O-N 2.85Å; I855-G888 VanDerWaalsContact O-N 3.17Å; I856-G888 WeakPolarHBondContact CA-O 3.3Å; A857-G888 PolarHBondContact N-O 3.15Å; A857-G888 VanDerWaalsContact N-O 3.09Å; G888-E892 WeakPolarHBondContact CA-OE2 3.16Å
889S81.6Confident83.4Confident14 Ų1445.2 Ų45.210%0.09824%0.235CC..  trans-75.2172.7173.584.90000112.7A857 E891 E892 F893A857-S889 WeakPolarHBondContact O-CA 3.35Å; S889-E891 VanDerWaalsContact CB-OE2 3.22Å; S889-E891 WeakPolarHBondContact CB-OE2 3.46Å; S889-E891 PolarHBondContact O-N 2.86Å; S889-E891 PolarHBondContact OG-N 2.78Å; S889-E891 PolarHBondContact OG-OE2 2.94Å; S889-E892 PolarHBondContact N-OE1 2.77Å; S889-E892 PolarHBondContact O-N 2.9Å; S889-E892 PolarHBondContact OG-N 3.38Å; S889-F893 WeakPolarHBondContact O-CD2 3.44Å; S889-F893 PolarHBondContact O-N 3.45Å
890V81.4Confident84.1Confident0 Ų043.5 Ų43.50%022%0.224CC..THydrogen-bonded Turntrans-60.4-39.6177.1-171.40000110.5L710 I856 F893 Q894 F923 R929 V932 A933L710-V890 HydrophobicContact CD1-CB 4.37Å; L710-V890 HydrophobicContact CD1-CG1 3.93Å; I856-V890 HydrophobicContact CG2-CB 4.33Å; I856-V890 HydrophobicContact CG2-CG2 3.73Å; V890-F893 PolarHBondContact O-N 3.28Å; V890-Q894 PolarHBondContact O-N 2.91Å; V890-F923 HydrophobicContact CG2-CD1 4.33Å; V890-F923 HydrophobicContact CG2-CE1 3.31Å; V890-F923 HydrophobicContact CG2-CZ 3.63Å; V890-R929 HydrophobicContact CB-CG 4.33Å; V890-R929 HydrophobicContact CG1-CB 4.4Å; V890-R929 HydrophobicContact CG1-CG 4.25Å; V890-R929 HydrophobicContact CG2-CG 4.37Å; V890-V932 HydrophobicContact CG1-CB 3.69Å; V890-V932 HydrophobicContact CG1-CG1 3.55Å; V890-A933 HydrophobicContact CG1-CB 4.45Å
891E77.6Confident85.3Confident20 Ų2034 Ų349%0.09318%0.182CC..THydrogen-bonded Turntrans-60.9-44.4177-59.470.3-161.800111.2L710 I713 S889 F893 Q894 R929L710-E891 HydrophobicContact CD1-CB 4.32Å; L710-E891 HydrophobicContact CD1-CG 3.98Å; I713-E891 HydrophobicContact CD1-CB 4.29Å; I713-E891 HydrophobicContact CD1-CG 3.64Å; S889-E891 VanDerWaalsContact CB-OE2 3.22Å; S889-E891 WeakPolarHBondContact CB-OE2 3.46Å; S889-E891 PolarHBondContact O-N 2.86Å; S889-E891 PolarHBondContact OG-N 2.78Å; S889-E891 PolarHBondContact OG-OE2 2.94Å; E891-F893 PolarHBondContact O-N 2.96Å; E891-Q894 WeakPolarHBondContact O-CB 3.12Å; E891-Q894 PolarHBondContact O-N 2.67Å; E891-R929 IonicContact OE1-CZ 3.42Å; E891-R929 IonicContact OE1-NE 2.85Å; E891-R929 PolarHBondContact OE1-NE 2.83Å; E891-R929 IonicContact OE1-NH2 2.69Å; E891-R929 PolarHBondContact OE1-NH2 2.96Å
892E74.9Confident86Confident34 Ų3429.4 Ų29.416%0.15916%0.158CC..THydrogen-bonded Turntrans-64.3-26.5176.5-65.7-177.6-141.900113.1K886 G888 S889 Q896 E1016K886-E892 WeakPolarHBondContact CE-OE2 3.2Å; K886-E892 IonicContact NZ-OE2 2.68Å; K886-E892 PolarHBondContact NZ-OE2 2.82Å; G888-E892 WeakPolarHBondContact CA-OE2 3.16Å; S889-E892 PolarHBondContact N-OE1 2.77Å; S889-E892 PolarHBondContact O-N 2.9Å; S889-E892 PolarHBondContact OG-N 3.38Å; E892-Q896 PolarHBondContact O-NE2 2.95Å; E892-E1016 HydrophobicContact CG-CG 3.99Å
893F80.3Confident86.6Confident0 Ų028.9 Ų28.90%016%0.155CC..THydrogen-bonded Turntrans-89.9-3.2179.7-88.2-96.5000113.6I855 I856 K886 S889 V890 E891 G895 Q896 R898 I901 R936I855-F893 WeakPolarHBondContact O-CE2 3.36Å; I856-F893 HydrophobicContact CD1-CB 4.07Å; I856-F893 HydrophobicContact CD1-CD1 4.07Å; I856-F893 HydrophobicContact CD1-CD2 4.43Å; I856-F893 HydrophobicContact CD1-CG 3.95Å; I856-F893 HydrophobicContact CG1-CB 4.33Å; I856-F893 HydrophobicContact CG1-CD1 3.99Å; I856-F893 HydrophobicContact CG1-CD2 3.77Å; I856-F893 HydrophobicContact CG1-CE1 4.17Å; I856-F893 HydrophobicContact CG1-CE2 3.93Å; I856-F893 HydrophobicContact CG1-CG 3.77Å; I856-F893 HydrophobicContact CG1-CZ 4.12Å; K886-F893 HydrophobicContact CB-CZ 3.99Å; K886-F893 HydrophobicContact CG-CE1 4.13Å; K886-F893 HydrophobicContact CG-CE2 3.82Å; K886-F893 HydrophobicContact CG-CZ 3.52Å; K886-F893 WeakPolarHBondContact O-CZ 3.33Å; S889-F893 WeakPolarHBondContact O-CD2 3.44Å; S889-F893 PolarHBondContact O-N 3.45Å; V890-F893 PolarHBondContact O-N 3.28Å; E891-F893 PolarHBondContact O-N 2.96Å; F893-G895 PolarHBondContact O-N 3.03Å; F893-Q896 PolarHBondContact O-N 3.32Å; F893-Q896 VanDerWaalsContact O-N 3.07Å; F893-R898 HydrophobicContact CE1-CG 4.29Å; F893-I901 HydrophobicContact CD1-CD1 4.14Å; F893-I901 HydrophobicContact CE1-CD1 3.83Å; F893-R936 HydrophobicContact CB-CG 4.21Å; F893-R936 VanDerWaalsContact O-CD 3.25Å; F893-R936 WeakPolarHBondContact O-CD 3.49Å
894Q77Confident87.2Confident17 Ų1724.1 Ų24.18%0.07912%0.122CC..THydrogen-bonded Turntrans-62.4137.6175-170.9167.8-4.500110.7H673 L710 V890 E891 Q896H673-Q894 PolarHBondContact CE1-OE1 2.78Å; H673-Q894 PolarHBondContact ND1-OE1 3.13Å; H673-Q894 PolarHBondContact NE2-OE1 2.98Å; L710-Q894 VanDerWaalsContact CB-OE1 3.27Å; L710-Q894 PolarHBondContact O-NE2 2.82Å; V890-Q894 PolarHBondContact O-N 2.91Å; E891-Q894 WeakPolarHBondContact O-CB 3.12Å; E891-Q894 PolarHBondContact O-N 2.67Å; Q894-Q896 PolarHBondContact O-N 2.89Å
895G72.8Confident87.4Confident38 Ų3820 Ų2039%0.39210%0.1SC..THydrogen-bonded Turntrans70.4-16.5-17200000115.5F893F893-G895 PolarHBondContact O-N 3.03Å
896Q82.8Confident87.1Confident49 Ų4919.6 Ų19.623%0.22910%0.098CC..  trans-89.5162.2176.7-57.6-166.146.900112.1E892 F893 Q894 R936E892-Q896 PolarHBondContact O-NE2 2.95Å; F893-Q896 PolarHBondContact O-N 3.32Å; F893-Q896 VanDerWaalsContact O-N 3.07Å; Q894-Q896 PolarHBondContact O-N 2.89Å; Q896-R936 VanDerWaalsContact O-CD 3.3Å; Q896-R936 WeakPolarHBondContact O-CD 3.43Å; Q896-R936 PolarHBondContact O-NH1 3.29Å
897E89Confident86.5Confident68 Ų6817.8 Ų17.832%0.3189%0.09SC..  trans-149151.6176.455.3-175.2-143.100110R759 K938R759-E897 IonicContact CZ-OE2 3.54Å; R759-E897 IonicContact NE-OE2 2.67Å; R759-E897 PolarHBondContact NE-OE2 2.82Å; R759-E897 IonicContact NH2-OE2 2.86Å; R759-E897 PolarHBondContact NH2-OE2 2.84Å; E897-K938 WeakPolarHBondContact OE1-CE 3.41Å; E897-K938 IonicContact OE1-NZ 3.28Å; E897-K938 PolarHBondContact OE1-NZ 3.4Å
898R93.3Very high85.4Confident49 Ų4918.3 Ų18.319%0.1859%0.094CC..EExtended strand (participates in β ladder)trans-138.3156.8176.8-65-66.5-177-79.1-4.2110.2K851 D852 F893 V900 I901 R936 K938K851-R898 WeakPolarHBondContact O-CD 3.41Å; K851-R898 PolarHBondContact O-NE 2.93Å; D852-R898 WeakPolarHBondContact O-CB 3.49Å; F893-R898 HydrophobicContact CE1-CG 4.29Å; R898-V900 VanDerWaalsContact C-N 3.29Å; R898-V900 WeakPolarHBondContact CB-O 3.32Å; R898-V900 PolarHBondContact O-N 2.82Å; R898-I901 HydrophobicContact CB-CD1 3.63Å; R898-I901 HydrophobicContact CB-CG1 4.17Å; R898-I901 HydrophobicContact CG-CD1 3.94Å; R898-R936 PolarHBondContact N-O 3.26Å; R898-R936 VanDerWaalsContact N-O 3.17Å; R898-K938 PolarHBondContact O-N 2.73Å
899R93.3Very high84.3Confident74 Ų7419.5 Ų19.528%0.27910%0.102SC..EExtended strand (participates in β ladder)trans-62.6-43.9177.9-170.6178.2-71.4147.82.6110Y789 D852 A939 L940Y789-R899 HydrophobicContact CE2-CG 4.07Å; D852-R899 HydrophobicContact CB-CB 4.08Å; D852-R899 PolarHBondContact O-N 3.18Å; D852-R899 IonicContact OD2-NH1 3.97Å; R899-A939 HydrophobicContact CG-CB 3.94Å; R899-A939 PolarHBondContact O-N 2.83Å; R899-L940 PolarHBondContact O-N 3Å
900V95.6Very high83Confident0 Ų019.9 Ų19.90%011%0.106CC..EExtended strand (participates in β ladder)trans-121133.3176-1740000109.5Y789 L836 I848 D852 I853 G854 R898 L902 L940Y789-V900 HydrophobicContact CD2-CG2 3.99Å; Y789-V900 HydrophobicContact CE1-CG2 4.48Å; Y789-V900 HydrophobicContact CE2-CG2 3.33Å; L836-V900 HydrophobicContact CD1-CG1 3.84Å; L836-V900 HydrophobicContact CD2-CG2 4.49Å; I848-V900 HydrophobicContact CD1-CB 4.4Å; I848-V900 HydrophobicContact CD1-CG2 3.6Å; D852-V900 PolarHBondContact O-N 3.06Å; D852-V900 VanDerWaalsContact O-N 3.12Å; I853-V900 WeakPolarHBondContact CA-O 3.48Å; I853-V900 HydrophobicContact CG1-CB 4.47Å; G854-V900 PolarHBondContact N-O 3.22Å; R898-V900 VanDerWaalsContact C-N 3.29Å; R898-V900 WeakPolarHBondContact CB-O 3.32Å; R898-V900 PolarHBondContact O-N 2.82Å; V900-L902 HydrophobicContact CG1-CD1 4.04Å; V900-L940 WeakPolarHBondContact CA-O 3.5Å; V900-L940 HydrophobicContact CG1-CB 4.09Å; V900-L940 HydrophobicContact CG1-CD2 3.95Å; V900-L940 HydrophobicContact CG1-CG 4.05Å; V900-L940 HydrophobicContact CG2-CB 4.13Å; V900-L940 HydrophobicContact CG2-CD2 4.39Å
901I97.6Very high81.3Confident0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans-121.1132.3171-65.9-73.6000109.1G854 I856 F893 R898 V903 R936 A937 L940 L941 I942G854-I901 WeakPolarHBondContact O-CA 3.3Å; I856-I901 HydrophobicContact CD1-CD1 4.41Å; I856-I901 HydrophobicContact CD1-CG2 3.72Å; I856-I901 HydrophobicContact CG1-CG2 4.07Å; F893-I901 HydrophobicContact CD1-CD1 4.14Å; F893-I901 HydrophobicContact CE1-CD1 3.83Å; R898-I901 HydrophobicContact CB-CD1 3.63Å; R898-I901 HydrophobicContact CB-CG1 4.17Å; R898-I901 HydrophobicContact CG-CD1 3.94Å; I901-V903 HydrophobicContact CG2-CG2 3.88Å; I901-R936 HydrophobicContact CD1-CB 3.78Å; I901-R936 HydrophobicContact CG1-CB 3.67Å; I901-R936 HydrophobicContact CG2-CB 4.47Å; I901-A937 HydrophobicContact CB-CB 3.96Å; I901-A937 HydrophobicContact CG1-CB 4.01Å; I901-L940 PolarHBondContact N-O 3.35Å; I901-L941 HydrophobicContact CB-CD1 4.33Å; I901-L941 HydrophobicContact CG2-CD1 4.14Å; I901-I942 PolarHBondContact O-N 3.07Å
902L98.3Very high79.9Confident0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-109141.1166.7-56.685.2000109.2L829 V833 L836 I853 G854 I855 I856 V900 I942L829-L902 HydrophobicContact CD2-CB 3.6Å; L829-L902 HydrophobicContact CD2-CD2 3.84Å; L829-L902 HydrophobicContact CD2-CG 4.38Å; V833-L902 HydrophobicContact CG2-CD2 4.23Å; L836-L902 HydrophobicContact CD1-CD1 4.29Å; I853-L902 HydrophobicContact CG2-CD1 3.57Å; G854-L902 PolarHBondContact O-N 3.12Å; I855-L902 CarbonylContact C-O 3.35Å; I855-L902 VanDerWaalsContact CA-O 3.31Å; I855-L902 WeakPolarHBondContact CA-O 3.15Å; I855-L902 HydrophobicContact CG1-CB 4.26Å; I855-L902 HydrophobicContact CG1-CD1 4.27Å; I855-L902 HydrophobicContact CG2-CB 4.47Å; I856-L902 PolarHBondContact N-O 3.26Å; V900-L902 HydrophobicContact CG1-CD1 4.04Å; L902-I942 CarbonylContact C-O 3.59Å; L902-I942 WeakPolarHBondContact CA-O 3.39Å; L902-I942 HydrophobicContact CD2-CD1 4.4Å; L902-I942 HydrophobicContact CG-CB 4.2Å; L902-I942 HydrophobicContact CG-CD1 4.42Å
903V97.1Very high78.7Confident0 Ų025.3 Ų25.30%013%0.132CC..EExtended strand (participates in β ladder)trans-123.6132.1-179.4-176.20000109.4I856 I901 F923 A933 L941 I942 V943 V944I856-V903 HydrophobicContact CB-CG2 4.43Å; I856-V903 CarbonylContact O-C 3.56Å; I856-V903 WeakPolarHBondContact O-CA 3.35Å; I901-V903 HydrophobicContact CG2-CG2 3.88Å; V903-F923 HydrophobicContact CG1-CD2 4.38Å; V903-F923 HydrophobicContact CG1-CE1 4.48Å; V903-F923 HydrophobicContact CG1-CE2 3.41Å; V903-F923 VanDerWaalsContact CG1-CE2 3.41Å; V903-F923 HydrophobicContact CG1-CZ 3.5Å; V903-A933 HydrophobicContact CG2-CB 4.47Å; V903-L941 HydrophobicContact CG2-CD1 4.1Å; V903-I942 PolarHBondContact N-O 2.92Å; V903-V943 HydrophobicContact CB-CG1 4.39Å; V903-V943 HydrophobicContact CB-CG2 4.26Å; V903-V943 HydrophobicContact CG2-CG2 4.41Å; V903-V944 PolarHBondContact O-N 3.07Å
904S95.2Very high76.8Confident0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-108.3119.2172.7-165.90000109.9E825 I856 P858 Q862 F923E825-S904 WeakPolarHBondContact OE2-CA 3.39Å; E825-S904 PolarHBondContact OE2-OG 3.15Å; I856-S904 PolarHBondContact O-N 3.4Å; P858-S904 WeakPolarHBondContact CD-O 3.25Å; Q862-S904 PolarHBondContact NE2-OG 3.41Å; S904-F923 WeakPolarHBondContact O-CE2 3.05Å
905A90.4Very high75.2Confident2 Ų232 Ų322%0.01717%0.167CC..  trans-77.9-28.4179.600000114.5E825 R907 F923 V944 L950E825-A905 PolarHBondContact OE2-N 2.61Å; A905-R907 PolarHBondContact O-N 2.64Å; A905-F923 HydrophobicContact CB-CD2 4.47Å; A905-V944 PolarHBondContact N-O 3.45Å; A905-L950 HydrophobicContact CB-CD1 3.79Å; A905-L950 HydrophobicContact CB-CD2 3.97Å; A905-L950 HydrophobicContact CB-CG 4.22Å
906V85.1Confident73.9Confident0 Ų030.2 Ų30.20%015%0.148CC..  trans68.4-49.2179.5-173.20000114.3F820 N822 E825 Y859 Q862 S908F820-V906 HydrophobicContact CB-CG1 4.13Å; N822-V906 HydrophobicContact CB-CB 4.5Å; N822-V906 HydrophobicContact CB-CG1 4Å; N822-V906 WeakPolarHBondContact CB-O 3.47Å; N822-V906 PolarHBondContact ND2-O 2.88Å; E825-V906 WeakPolarHBondContact OE1-CA 3.43Å; E825-V906 PolarHBondContact OE1-N 2.68Å; E825-V906 WeakPolarHBondContact OE2-CA 3.48Å; E825-V906 PolarHBondContact OE2-N 3.22Å; Y859-V906 HydrophobicContact CD2-CB 3.49Å; Y859-V906 VanDerWaalsContact CD2-CB 3.49Å; Y859-V906 HydrophobicContact CD2-CG1 3.73Å; Y859-V906 HydrophobicContact CD2-CG2 3.66Å; Y859-V906 HydrophobicContact CE2-CB 3.82Å; Y859-V906 HydrophobicContact CE2-CG1 4.22Å; Y859-V906 HydrophobicContact CE2-CG2 4.38Å; Y859-V906 HydrophobicContact CG-CB 4.49Å; Y859-V906 HydrophobicContact CG-CG1 4.32Å; Q862-V906 HydrophobicContact CB-CG2 3.73Å; Q862-V906 HydrophobicContact CG-CG2 3.44Å; Q862-V906 VanDerWaalsContact CG-CG2 3.44Å; V906-S908 PolarHBondContact O-N 3.45Å
907R77.4Confident72.3Confident4 Ų430.6 Ų30.62%0.01515%0.149CC..  trans-67.8127.6-169.6-61.8-64.7-78.2160.767.5112D811 F820 Y859 A905 S909 Y912 D916 I924D811-R907 IonicContact OD2-CZ 2.71Å; D811-R907 IonicContact OD2-NH1 2.76Å; D811-R907 IonicContact OD2-NH2 3.4Å; D811-R907 PolarHBondContact OD2-NH2 2.77Å; F820-R907 VanDerWaalsContact CE2-NH1 3.34Å; F820-R907 VanDerWaalsContact CZ-NH1 3.29Å; Y859-R907 HydrophobicContact CE2-CG 3.82Å; Y859-R907 WeakPolarHBondContact OH-CD 3.35Å; Y859-R907 VanDerWaalsContact OH-CG 3.22Å; Y859-R907 WeakPolarHBondContact OH-CG 3.39Å; A905-R907 PolarHBondContact O-N 2.64Å; R907-S909 PolarHBondContact NH2-O 2.89Å; R907-S909 PolarHBondContact NH2-OG 2.72Å; R907-Y912 VanDerWaalsContact CZ-CB 3.47Å; R907-Y912 VanDerWaalsContact NH2-CB 3.31Å; R907-D916 IonicContact CZ-OD2 3.23Å; R907-D916 IonicContact NE-OD2 3.78Å; R907-D916 PolarHBondContact NE-OD2 3.36Å; R907-D916 IonicContact NH1-OD2 3.74Å; R907-I924 HydrophobicContact CB-CD1 4.05Å; R907-I924 HydrophobicContact CG-CD1 4.47Å
908S67.1Low69.8Low16 Ų1633.8 Ų33.811%0.11216%0.162CC..  trans-133.2-0.6-179.8-690000114.1G809 D811 N822 V906G809-S908 WeakPolarHBondContact O-CB 3.24Å; G809-S908 PolarHBondContact O-OG 3.28Å; D811-S908 PolarHBondContact OD1-N 2.69Å; D811-S908 VanDerWaalsContact OD1-N 3.17Å; N822-S908 PolarHBondContact ND2-OG 2.88Å; V906-S908 PolarHBondContact O-N 3.45Å
909S62.4Low67.3Low25 Ų2532.8 Ų32.818%0.17516%0.159CC..  trans-124.9138.8-178.858.40000114D811 R907 Y912 M949D811-S909 VanDerWaalsContact OD1-CB 3.28Å; D811-S909 WeakPolarHBondContact OD1-CB 3.19Å; D811-S909 PolarHBondContact OD1-N 2.94Å; D811-S909 PolarHBondContact OD1-OG 3.22Å; D811-S909 PolarHBondContact OD2-OG 3.48Å; R907-S909 PolarHBondContact NH2-O 2.89Å; R907-S909 PolarHBondContact NH2-OG 2.72Å; S909-Y912 WeakPolarHBondContact OG-CD2 3.44Å; S909-M949 WeakPolarHBondContact O-CE 3.32Å
910A54.3Low65.1Low21 Ų2132.6 Ų32.617%0.17416%0.163CC..G310 helixtrans-70.1-29.8-178.300000114.6L131 Y912 M913L131-A910 HydrophobicContact CB-CB 3.88Å; L131-A910 HydrophobicContact CD2-CB 3.27Å; L131-A910 HydrophobicContact CG-CB 4.13Å; A910-Y912 PolarHBondContact O-N 2.85Å; A910-M913 HydrophobicContact CB-SD 4.08Å; A910-M913 WeakPolarHBondContact O-CB 3.49Å; A910-M913 WeakPolarHBondContact O-CG 2.94Å; A910-M913 PolarHBondContact O-N 2.86Å
911N45.4Very low62.8Low83 Ų8332.6 Ų32.644%0.44416%0.163SC..G310 helixtrans-54.7-19.4-174.9-64.8-8.8000114.4L131L131-N911 PolarHBondContact O-OD1 2.92Å
912Y49.1Very low60.9Low70 Ų7032.7 Ų32.728%0.27516%0.164SC..G310 helixtrans-117.99.2-179.3-45.7-86.1000113.3R813 F820 R907 S909 A910 F915 D916R813-Y912 PolarHBondContact NH2-OH 2.88Å; F820-Y912 HydrophobicContact CE1-CD2 4.42Å; F820-Y912 HydrophobicContact CE1-CE2 4.15Å; F820-Y912 HydrophobicContact CZ-CD1 4.17Å; F820-Y912 HydrophobicContact CZ-CD2 4.47Å; F820-Y912 HydrophobicContact CZ-CE1 4.18Å; F820-Y912 HydrophobicContact CZ-CE2 4.42Å; F820-Y912 HydrophobicContact CZ-CG 4.32Å; R907-Y912 VanDerWaalsContact CZ-CB 3.47Å; R907-Y912 VanDerWaalsContact NH2-CB 3.31Å; S909-Y912 WeakPolarHBondContact OG-CD2 3.44Å; A910-Y912 PolarHBondContact O-N 2.85Å; Y912-F915 WeakPolarHBondContact O-CB 3.37Å; Y912-F915 PolarHBondContact O-N 3.36Å; Y912-D916 PolarHBondContact O-N 3.15Å
913M49.8Very low59.2Low16 Ų1632.7 Ų32.78%0.07916%0.164CC..Hα-helixtrans-66.2-49.1179.8-71.2177.281.900111.8A910 F915 D916 K917 M949 A952A910-M913 HydrophobicContact CB-SD 4.08Å; A910-M913 WeakPolarHBondContact O-CB 3.49Å; A910-M913 WeakPolarHBondContact O-CG 2.94Å; A910-M913 PolarHBondContact O-N 2.86Å; M913-F915 PolarHBondContact O-N 2.87Å; M913-D916 PolarHBondContact O-N 3.02Å; M913-D916 VanDerWaalsContact O-N 3.13Å; M913-K917 WeakPolarHBondContact O-CG 3.47Å; M913-K917 PolarHBondContact O-N 3.08Å; M913-M949 HydrophobicContact CE-CE 4.11Å; M913-M949 HydrophobicContact CG-CE 3.3Å; M913-M949 HydrophobicContact SD-CE 3.3Å; M913-M949 WeakPolarHBondContact SD-CE 3.39Å; M913-M949 HydrophobicContact SD-SD 4.15Å; M913-A952 HydrophobicContact CE-CB 3.15Å
914D40.8Very low57.6Low118 Ų11832.8 Ų32.863%0.63116%0.164SC*.Hα-helixtrans-64.6-26.2-179.5-67.9-25000112.4K917 K918D914-K917 IonicContact OD1-NZ 3.97Å; D914-K917 PolarHBondContact OD1-NZ 3.2Å; D914-K918 WeakPolarHBondContact O-CB 3.49Å; D914-K918 PolarHBondContact O-N 3.23Å
915F42.7Very low56.2Low40 Ų4037.4 Ų37.418%0.17518%0.184CC..Hα-helixtrans-70.4-51.1170.1170.6-83.3000112.4Y912 M913 K917 K918 F919 L921 V1008Y912-F915 WeakPolarHBondContact O-CB 3.37Å; Y912-F915 PolarHBondContact O-N 3.36Å; M913-F915 PolarHBondContact O-N 2.87Å; F915-K917 VanDerWaalsContact C-N 3.25Å; F915-K917 PolarHBondContact O-N 3.04Å; F915-K918 PolarHBondContact O-N 3.45Å; F915-K918 VanDerWaalsContact O-N 3.12Å; F915-F919 HydrophobicContact CD1-CD2 4.44Å; F915-F919 HydrophobicContact CD2-CD2 4.1Å; F915-F919 HydrophobicContact CD2-CE2 4.02Å; F915-F919 HydrophobicContact CE2-CD2 4.48Å; F915-F919 HydrophobicContact CG-CD2 4.16Å; F915-F919 HydrophobicContact CG-CE2 4.37Å; F915-F919 WeakPolarHBondContact O-CD2 3.22Å; F915-F919 PolarHBondContact O-N 3.07Å; F915-L921 HydrophobicContact CD1-CD1 4.22Å; F915-L921 HydrophobicContact CE1-CD1 3.71Å; F915-L921 HydrophobicContact CZ-CD1 4.49Å; F915-V1008 HydrophobicContact CE1-CB 4.38Å; F915-V1008 HydrophobicContact CE2-CB 3.39Å; F915-V1008 HydrophobicContact CE2-CG1 4.49Å; F915-V1008 HydrophobicContact CE2-CG2 3.4Å; F915-V1008 HydrophobicContact CZ-CB 3.29Å; F915-V1008 HydrophobicContact CZ-CG1 3.97Å; F915-V1008 HydrophobicContact CZ-CG2 3.66Å
916D44.5Very low55.4Low0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-61.9-37.1-179.6-75.2-18.4000111.2R907 Y912 M913 F919 N920 L921R907-D916 IonicContact CZ-OD2 3.23Å; R907-D916 IonicContact NE-OD2 3.78Å; R907-D916 PolarHBondContact NE-OD2 3.36Å; R907-D916 IonicContact NH1-OD2 3.74Å; Y912-D916 PolarHBondContact O-N 3.15Å; M913-D916 PolarHBondContact O-N 3.02Å; M913-D916 VanDerWaalsContact O-N 3.13Å; D916-F919 PolarHBondContact O-N 3.41Å; D916-N920 WeakPolarHBondContact O-CA 3.35Å; D916-N920 PolarHBondContact O-N 3.38Å; D916-L921 HydrophobicContact CB-CB 4.39Å; D916-L921 PolarHBondContact O-N 3.33Å
917K49.8Very low55.6Low56 Ų5643.6 Ų43.624%0.24321%0.214CC..Hα-helixtrans-62.2-42.2174.2-64.5171-166.6163.70112.8M913 D914 F915 F919 K925M913-K917 WeakPolarHBondContact O-CG 3.47Å; M913-K917 PolarHBondContact O-N 3.08Å; D914-K917 IonicContact OD1-NZ 3.97Å; D914-K917 PolarHBondContact OD1-NZ 3.2Å; F915-K917 VanDerWaalsContact C-N 3.25Å; F915-K917 PolarHBondContact O-N 3.04Å; K917-F919 VanDerWaalsContact C-N 3.29Å; K917-F919 PolarHBondContact O-N 3.2Å; K917-K925 HydrophobicContact CB-CD 4.16Å; K917-K925 HydrophobicContact CD-CD 3.8Å; K917-K925 HydrophobicContact CD-CG 4.42Å; K917-K925 VanDerWaalsContact CE-CE 3.46Å; K917-K925 HydrophobicContact CG-CB 4.11Å; K917-K925 HydrophobicContact CG-CD 3.5Å; K917-K925 VanDerWaalsContact CG-CD 3.5Å; K917-K925 HydrophobicContact CG-CG 3.75Å
918K36.3Very low56.1Low136 Ų13645.9 Ų45.959%0.59122%0.224SC*.Hα-helixtrans-72.9-24.3-176.6-171.9173.6175.4178.70112.5D914 F915D914-K918 WeakPolarHBondContact O-CB 3.49Å; D914-K918 PolarHBondContact O-N 3.23Å; F915-K918 PolarHBondContact O-N 3.45Å; F915-K918 VanDerWaalsContact O-N 3.12Å
919F40.2Very low57Low28 Ų2846 Ų4612%0.12322%0.222CC..Hα-helixtrans-114.58-175.9-60.9-52.2000114.3F915 D916 K917 L921 S1007 V1009F915-F919 HydrophobicContact CD1-CD2 4.44Å; F915-F919 HydrophobicContact CD2-CD2 4.1Å; F915-F919 HydrophobicContact CD2-CE2 4.02Å; F915-F919 HydrophobicContact CE2-CD2 4.48Å; F915-F919 HydrophobicContact CG-CD2 4.16Å; F915-F919 HydrophobicContact CG-CE2 4.37Å; F915-F919 WeakPolarHBondContact O-CD2 3.22Å; F915-F919 PolarHBondContact O-N 3.07Å; D916-F919 PolarHBondContact O-N 3.41Å; K917-F919 VanDerWaalsContact C-N 3.29Å; K917-F919 PolarHBondContact O-N 3.2Å; F919-L921 HydrophobicContact CB-CD1 3.6Å; F919-L921 HydrophobicContact CB-CG 3.64Å; F919-L921 HydrophobicContact CG-CD1 4.43Å; F919-L921 PolarHBondContact O-N 2.81Å; F919-S1007 WeakPolarHBondContact CE1-OG 3.4Å; F919-S1007 WeakPolarHBondContact CZ-OG 3.17Å; F919-V1009 HydrophobicContact CB-CG2 3.75Å; F919-V1009 HydrophobicContact CD1-CG2 3.18Å; F919-V1009 HydrophobicContact CE1-CG2 4.15Å; F919-V1009 HydrophobicContact CG-CG2 3.65Å
920N47.5Very low58.5Low70 Ų7044.9 Ų44.937%0.37421%0.213SC..THydrogen-bonded Turntrans48.442.8-176.1-67.3-24.8000112.1D916 N926 R929D916-N920 WeakPolarHBondContact O-CA 3.35Å; D916-N920 PolarHBondContact O-N 3.38Å; N920-N926 PolarHBondContact O-ND2 2.91Å; N920-R929 VanDerWaalsContact O-CZ 3.32Å; N920-R929 PolarHBondContact O-NH1 3.44Å; N920-R929 PolarHBondContact O-NH2 2.94Å
921L48Very low60.3Low0 Ų043.9 Ų43.90%021%0.205CC..  trans-95.3153.5-176.7-65.1170.1000112.2F915 D916 F919 V1008 Q1012 L1013F915-L921 HydrophobicContact CD1-CD1 4.22Å; F915-L921 HydrophobicContact CE1-CD1 3.71Å; F915-L921 HydrophobicContact CZ-CD1 4.49Å; D916-L921 HydrophobicContact CB-CB 4.39Å; D916-L921 PolarHBondContact O-N 3.33Å; F919-L921 HydrophobicContact CB-CD1 3.6Å; F919-L921 HydrophobicContact CB-CG 3.64Å; F919-L921 HydrophobicContact CG-CD1 4.43Å; F919-L921 PolarHBondContact O-N 2.81Å; L921-V1008 WeakPolarHBondContact CD1-O 3.28Å; L921-Q1012 HydrophobicContact CD2-CB 4.3Å; L921-L1013 HydrophobicContact CD2-CD1 3.69Å; L921-L1013 HydrophobicContact CD2-CG 4.44Å
922G57.3Low62.5Low1 Ų139.9 Ų39.91%0.0118%0.184CC..SBendtrans66.9-149.8-17900000112.6Y859 R929Y859-G922 VanDerWaalsContact OH-CA 3.31Å; Y859-G922 WeakPolarHBondContact OH-CA 3.37Å; G922-R929 VanDerWaalsContact N-NH1 3.19Å; G922-R929 WeakPolarHBondContact O-CD 3.24Å; G922-R929 PolarHBondContact O-NH1 3.45Å
923F61.7Low64.5Low1 Ų136.6 Ų36.60%0.00417%0.171CC..SBendtrans-102.9-12.3175.7-75.7-58.1000114.5I856 P858 V890 V903 S904 A905 R929 A933 W956I856-F923 HydrophobicContact CG2-CZ 4.14Å; P858-F923 HydrophobicContact CB-CD2 4.35Å; P858-F923 HydrophobicContact CB-CE2 4.29Å; P858-F923 HydrophobicContact CB-CZ 4.48Å; P858-F923 VanDerWaalsContact CD-CE2 3.41Å; P858-F923 HydrophobicContact CG-CD2 3.59Å; P858-F923 HydrophobicContact CG-CE2 3.65Å; P858-F923 HydrophobicContact CG-CG 4.24Å; P858-F923 HydrophobicContact CG-CZ 4.3Å; V890-F923 HydrophobicContact CG2-CD1 4.33Å; V890-F923 HydrophobicContact CG2-CE1 3.31Å; V890-F923 HydrophobicContact CG2-CZ 3.63Å; V903-F923 HydrophobicContact CG1-CD2 4.38Å; V903-F923 HydrophobicContact CG1-CE1 4.48Å; V903-F923 HydrophobicContact CG1-CE2 3.41Å; V903-F923 VanDerWaalsContact CG1-CE2 3.41Å; V903-F923 HydrophobicContact CG1-CZ 3.5Å; S904-F923 WeakPolarHBondContact O-CE2 3.05Å; A905-F923 HydrophobicContact CB-CD2 4.47Å; F923-R929 HydrophobicContact CD1-CB 4.17Å; F923-R929 HydrophobicContact CE1-CB 4.48Å; F923-A933 HydrophobicContact CE1-CB 3.56Å; F923-A933 HydrophobicContact CZ-CB 3.93Å; F923-W956 HydrophobicContact CB-CZ2 3.67Å; F923-W956 AromaticContact CD1-CZ2 3.95Å; F923-W956 HydrophobicContact CD1-CZ2 3.95Å; F923-W956 HydrophobicContact CD2-CZ2 4.22Å; F923-W956 AromaticContact CG-CZ2 3.73Å; F923-W956 HydrophobicContact CG-CZ2 3.73Å; F923-W956 PolarHBondContact O-NE1 3.47Å
924I64Low66.6Low2 Ų235.9 Ų35.91%0.0117%0.168CC..THydrogen-bonded Turntrans-81.7127.7-176-62.6171000108.7R907 N926 M949 L950 D953R907-I924 HydrophobicContact CB-CD1 4.05Å; R907-I924 HydrophobicContact CG-CD1 4.47Å; I924-N926 PolarHBondContact O-N 2.85Å; I924-M949 HydrophobicContact CD1-CB 4.49Å; I924-M949 HydrophobicContact CD1-CE 4.49Å; I924-L950 HydrophobicContact CG1-CD2 4.19Å; I924-D953 HydrophobicContact CG2-CB 4.48Å
925K65.3Low69Low96 Ų9630.4 Ų30.442%0.41714%0.139SC..THydrogen-bonded Turntrans58.526.3-177.1-61.6-148.3-168177.30116K917 D953K917-K925 HydrophobicContact CB-CD 4.16Å; K917-K925 HydrophobicContact CD-CD 3.8Å; K917-K925 HydrophobicContact CD-CG 4.42Å; K917-K925 VanDerWaalsContact CE-CE 3.46Å; K917-K925 HydrophobicContact CG-CB 4.11Å; K917-K925 HydrophobicContact CG-CD 3.5Å; K917-K925 VanDerWaalsContact CG-CD 3.5Å; K917-K925 HydrophobicContact CG-CG 3.75Å; K925-D953 WeakPolarHBondContact CA-OD2 3.31Å; K925-D953 PolarHBondContact N-OD2 2.93Å
926N75.3Confident71.4Confident20 Ų2028.6 Ų28.611%0.10713%0.131CC..  trans-122.890.9170.2-169.5-37.6000110.3N920 I924 K928 R929 F930N920-N926 PolarHBondContact O-ND2 2.91Å; I924-N926 PolarHBondContact O-N 2.85Å; N926-K928 VanDerWaalsContact C-N 3.32Å; N926-K928 PolarHBondContact O-N 3.13Å; N926-K928 PolarHBondContact OD1-N 2.8Å; N926-R929 HydrophobicContact CB-CB 4.12Å; N926-R929 HydrophobicContact CB-CG 4.45Å; N926-R929 PolarHBondContact O-N 3.03Å; N926-R929 PolarHBondContact OD1-N 3Å; N926-F930 PolarHBondContact O-N 3.15Å
927E88.3Confident73.8Confident112 Ų11228.6 Ų28.652%0.52313%0.131SC..Hα-helixtrans-59.9-41-176.3-49.7-166.3156.300112.4F772 R929 F930 N931 N955F772-E927 HydrophobicContact CE1-CB 3.83Å; F772-E927 HydrophobicContact CZ-CB 4.28Å; E927-R929 PolarHBondContact O-N 3.21Å; E927-F930 PolarHBondContact O-N 3.21Å; E927-N931 WeakPolarHBondContact O-CB 3.15Å; E927-N931 PolarHBondContact O-N 2.83Å; E927-N955 WeakPolarHBondContact CG-ND2 3.38Å
928K87.9Confident76Confident52 Ų5229.4 Ų29.423%0.22613%0.134CC..Hα-helixtrans-62.4-43.2178.7-72.4176.6167.8-174.30110.9P707 Q709 E730 N926 V932P707-K928 WeakPolarHBondContact O-CE 3.29Å; P707-K928 PolarHBondContact O-NZ 2.84Å; Q709-K928 WeakPolarHBondContact O-CD 3.28Å; Q709-K928 WeakPolarHBondContact O-CE 3.37Å; Q709-K928 VanDerWaalsContact O-CG 3.24Å; Q709-K928 WeakPolarHBondContact O-CG 3.45Å; E730-K928 VanDerWaalsContact CD-NZ 3.28Å; E730-K928 IonicContact OE1-NZ 3.2Å; E730-K928 PolarHBondContact OE1-NZ 2.96Å; E730-K928 IonicContact OE2-NZ 2.72Å; E730-K928 PolarHBondContact OE2-NZ 2.8Å; N926-K928 VanDerWaalsContact C-N 3.32Å; N926-K928 PolarHBondContact O-N 3.13Å; N926-K928 PolarHBondContact OD1-N 2.8Å; K928-V932 WeakPolarHBondContact O-CG2 3.37Å; K928-V932 PolarHBondContact O-N 2.95Å
929R86.9Confident78.7Confident20 Ų2023 Ų238%0.07511%0.106CC..Hα-helixtrans-67.9-42.3176.2-82.9-171.7-172129.925.1113.1L710 V890 E891 N920 G922 F923 N926 E927 V932 A933L710-R929 HydrophobicContact CD2-CG 3.58Å; V890-R929 HydrophobicContact CB-CG 4.33Å; V890-R929 HydrophobicContact CG1-CB 4.4Å; V890-R929 HydrophobicContact CG1-CG 4.25Å; V890-R929 HydrophobicContact CG2-CG 4.37Å; E891-R929 IonicContact OE1-CZ 3.42Å; E891-R929 IonicContact OE1-NE 2.85Å; E891-R929 PolarHBondContact OE1-NE 2.83Å; E891-R929 IonicContact OE1-NH2 2.69Å; E891-R929 PolarHBondContact OE1-NH2 2.96Å; N920-R929 VanDerWaalsContact O-CZ 3.32Å; N920-R929 PolarHBondContact O-NH1 3.44Å; N920-R929 PolarHBondContact O-NH2 2.94Å; G922-R929 VanDerWaalsContact N-NH1 3.19Å; G922-R929 WeakPolarHBondContact O-CD 3.24Å; G922-R929 PolarHBondContact O-NH1 3.45Å; F923-R929 HydrophobicContact CD1-CB 4.17Å; F923-R929 HydrophobicContact CE1-CB 4.48Å; N926-R929 HydrophobicContact CB-CB 4.12Å; N926-R929 HydrophobicContact CB-CG 4.45Å; N926-R929 PolarHBondContact O-N 3.03Å; N926-R929 PolarHBondContact OD1-N 3Å; E927-R929 PolarHBondContact O-N 3.21Å; R929-V932 PolarHBondContact O-N 2.67Å; R929-A933 WeakPolarHBondContact O-CB 3.43Å; R929-A933 PolarHBondContact O-N 2.87Å
930F92.3Very high81.4Confident0 Ų021.6 Ų21.60%010%0.1CC..Hα-helixtrans-54.6-55.4173.6168.8-95.7000109.7I767 L771 F772 N926 E927 V932 A933 V934 N955 W956 F959I767-F930 HydrophobicContact CG2-CE1 4.24Å; I767-F930 HydrophobicContact CG2-CZ 3.96Å; L771-F930 HydrophobicContact CD1-CE1 4.07Å; F772-F930 AromaticContact CE2-CD1 3.58Å; F772-F930 HydrophobicContact CE2-CD1 3.58Å; F772-F930 AromaticContact CE2-CE1 3.77Å; F772-F930 HydrophobicContact CE2-CE1 3.77Å; F772-F930 AromaticContact CZ-CD1 3.7Å; F772-F930 HydrophobicContact CZ-CD1 3.7Å; F772-F930 HydrophobicContact CZ-CE1 4.18Å; N926-F930 PolarHBondContact O-N 3.15Å; E927-F930 PolarHBondContact O-N 3.21Å; F930-V932 PolarHBondContact O-N 3.43Å; F930-A933 PolarHBondContact O-N 2.84Å; F930-V934 HydrophobicContact CD2-CG1 4.19Å; F930-V934 HydrophobicContact CE1-CG2 4.31Å; F930-V934 HydrophobicContact CE2-CG1 3.87Å; F930-V934 HydrophobicContact CZ-CG1 4.15Å; F930-V934 HydrophobicContact CZ-CG2 4.43Å; F930-V934 WeakPolarHBondContact O-CG2 3.15Å; F930-V934 PolarHBondContact O-N 3.05Å; F930-V934 VanDerWaalsContact O-N 3.12Å; F930-N955 HydrophobicContact CD1-CB 3.96Å; F930-N955 HydrophobicContact CE1-CB 4.1Å; F930-N955 HydrophobicContact CG-CB 4.19Å; F930-N955 HydrophobicContact CZ-CB 4.45Å; F930-W956 AromaticContact CD2-CD2 3.62Å; F930-W956 HydrophobicContact CD2-CD2 3.62Å; F930-W956 AromaticContact CD2-CE2 3.49Å; F930-W956 VanDerWaalsContact CD2-CE2 3.49Å; F930-W956 AromaticContact CD2-CE3 3.86Å; F930-W956 HydrophobicContact CD2-CE3 3.86Å; F930-W956 HydrophobicContact CD2-CG 4.18Å; F930-W956 AromaticContact CD2-CH2 3.89Å; F930-W956 HydrophobicContact CD2-CH2 3.89Å; F930-W956 AromaticContact CD2-CZ2 3.66Å; F930-W956 HydrophobicContact CD2-CZ2 3.66Å; F930-W956 AromaticContact CD2-CZ3 3.96Å; F930-W956 HydrophobicContact CD2-CZ3 3.96Å; F930-W956 AromaticContact CD2-NE1 3.89Å; F930-W956 AromaticContact CE2-CD2 3.87Å; F930-W956 HydrophobicContact CE2-CD2 3.87Å; F930-W956 AromaticContact CE2-CE3 3.69Å; F930-W956 HydrophobicContact CE2-CE3 3.69Å; F930-W956 HydrophobicContact CE2-CG 4.45Å; F930-W956 HydrophobicContact CE2-CH2 4.21Å; F930-W956 HydrophobicContact CE2-CZ2 4.38Å; F930-W956 AromaticContact CE2-CZ3 3.84Å; F930-W956 HydrophobicContact CE2-CZ3 3.84Å; F930-F959 HydrophobicContact CE2-CB 3.96Å; F930-F959 HydrophobicContact CE2-CG 4.21Å; F930-F959 HydrophobicContact CZ-CB 3.91Å; F930-F959 HydrophobicContact CZ-CD2 4.31Å; F930-F959 HydrophobicContact CZ-CG 4.28Å
931N93.1Very high83.8Confident0 Ų018.3 Ų18.30%08%0.082CC..Hα-helixtrans-56.8-46.8-179-173.716.4000111.8K708 F772 Y773 E927 T935K708-N931 PolarHBondContact O-ND2 2.69Å; F772-N931 HydrophobicContact CD2-CB 3.77Å; F772-N931 HydrophobicContact CE2-CB 3.65Å; F772-N931 HydrophobicContact CG-CB 4.38Å; F772-N931 HydrophobicContact CZ-CB 4.17Å; Y773-N931 PolarHBondContact OH-ND2 2.89Å; E927-N931 WeakPolarHBondContact O-CB 3.15Å; E927-N931 PolarHBondContact O-N 2.83Å; N931-T935 WeakPolarHBondContact O-CB 3.23Å; N931-T935 WeakPolarHBondContact O-CG2 3.28Å; N931-T935 PolarHBondContact O-N 3.45Å; N931-T935 PolarHBondContact O-OG1 2.95Å
932V91.1Very high86.2Confident0 Ų018.3 Ų18.30%08%0.082CC..Hα-helixtrans-61.8-48.9178.4175.10000111.5Q709 L710 V890 K928 R929 F930 V934 T935 R936Q709-V932 HydrophobicContact CB-CG2 3.75Å; Q709-V932 HydrophobicContact CG-CG2 3.79Å; L710-V932 HydrophobicContact CB-CG2 4.39Å; L710-V932 HydrophobicContact CD1-CG1 4.44Å; L710-V932 HydrophobicContact CD1-CG2 4.37Å; L710-V932 HydrophobicContact CG-CG2 3.92Å; V890-V932 HydrophobicContact CG1-CB 3.69Å; V890-V932 HydrophobicContact CG1-CG1 3.55Å; K928-V932 WeakPolarHBondContact O-CG2 3.37Å; K928-V932 PolarHBondContact O-N 2.95Å; R929-V932 PolarHBondContact O-N 2.67Å; F930-V932 PolarHBondContact O-N 3.43Å; V932-V934 PolarHBondContact O-N 3.44Å; V932-T935 PolarHBondContact O-N 3.49Å; V932-T935 PolarHBondContact O-OG1 3.27Å; V932-T935 VanDerWaalsContact O-OG1 3.11Å; V932-R936 VanDerWaalsContact O-CG 3.25Å; V932-R936 WeakPolarHBondContact O-CG 3.27Å; V932-R936 PolarHBondContact O-N 2.75Å; V932-R936 PolarHBondContact O-NE 3.11Å
933A91.6Very high88.1Confident0 Ų018.2 Ų18.20%08%0.082CC..Hα-helixtrans-62.2-45.7-174.500000113I856 V890 V903 F923 R929 F930 T935I856-A933 HydrophobicContact CD1-CB 4.48Å; V890-A933 HydrophobicContact CG1-CB 4.45Å; V903-A933 HydrophobicContact CG2-CB 4.47Å; F923-A933 HydrophobicContact CE1-CB 3.56Å; F923-A933 HydrophobicContact CZ-CB 3.93Å; R929-A933 WeakPolarHBondContact O-CB 3.43Å; R929-A933 PolarHBondContact O-N 2.87Å; F930-A933 PolarHBondContact O-N 2.84Å; A933-T935 VanDerWaalsContact C-N 3.33Å; A933-T935 PolarHBondContact O-N 3.38Å
934V93.1Very high89.8Confident1 Ų118.2 Ų18.21%0.0068%0.082CC..Hα-helixtrans-72.8-25.7-178.2-58.20000112.8I764 P768 F930 V932 L941I764-V934 WeakPolarHBondContact CG2-O 3.3Å; P768-V934 HydrophobicContact CG-CG2 3.43Å; P768-V934 VanDerWaalsContact CG-CG2 3.43Å; F930-V934 HydrophobicContact CD2-CG1 4.19Å; F930-V934 HydrophobicContact CE1-CG2 4.31Å; F930-V934 HydrophobicContact CE2-CG1 3.87Å; F930-V934 HydrophobicContact CZ-CG1 4.15Å; F930-V934 HydrophobicContact CZ-CG2 4.43Å; F930-V934 WeakPolarHBondContact O-CG2 3.15Å; F930-V934 PolarHBondContact O-N 3.05Å; F930-V934 VanDerWaalsContact O-N 3.12Å; V932-V934 PolarHBondContact O-N 3.44Å; V934-L941 HydrophobicContact CB-CD2 3.91Å; V934-L941 HydrophobicContact CG1-CD2 4.2Å
935T92.9Very high91.1Very high4 Ų418.1 Ų18.13%0.0258%0.081CC..THydrogen-bonded Turntrans-92.69.5-177.460.10000115P551 R759 P768 N931 V932 A933P551-T935 HydrophobicContact CG-CG2 4.12Å; P551-T935 VanDerWaalsContact CG-OG1 3.24Å; P551-T935 WeakPolarHBondContact CG-OG1 3.43Å; R759-T935 WeakPolarHBondContact CD-O 3.3Å; R759-T935 PolarHBondContact NH1-O 3.07Å; R759-T935 VanDerWaalsContact NH1-O 3.08Å; P768-T935 HydrophobicContact CB-CG2 3.86Å; P768-T935 HydrophobicContact CG-CG2 3.87Å; N931-T935 WeakPolarHBondContact O-CB 3.23Å; N931-T935 WeakPolarHBondContact O-CG2 3.28Å; N931-T935 PolarHBondContact O-N 3.45Å; N931-T935 PolarHBondContact O-OG1 2.95Å; V932-T935 PolarHBondContact O-N 3.49Å; V932-T935 PolarHBondContact O-OG1 3.27Å; V932-T935 VanDerWaalsContact O-OG1 3.11Å; A933-T935 VanDerWaalsContact C-N 3.33Å; A933-T935 PolarHBondContact O-N 3.38Å
936R93.3Very high92.1Very high2 Ų214.1 Ų14.11%0.0086%0.064CC..THydrogen-bonded Turntrans-81.8-21.7175-64.7-46.584.3173.717.3113.4Q709 I856 F893 Q896 R898 I901 V932Q709-R936 VanDerWaalsContact OE1-NH2 3.15Å; I856-R936 HydrophobicContact CD1-CB 4.07Å; I856-R936 HydrophobicContact CD1-CG 3.65Å; F893-R936 HydrophobicContact CB-CG 4.21Å; F893-R936 VanDerWaalsContact O-CD 3.25Å; F893-R936 WeakPolarHBondContact O-CD 3.49Å; Q896-R936 VanDerWaalsContact O-CD 3.3Å; Q896-R936 WeakPolarHBondContact O-CD 3.43Å; Q896-R936 PolarHBondContact O-NH1 3.29Å; R898-R936 PolarHBondContact N-O 3.26Å; R898-R936 VanDerWaalsContact N-O 3.17Å; I901-R936 HydrophobicContact CD1-CB 3.78Å; I901-R936 HydrophobicContact CG1-CB 3.67Å; I901-R936 HydrophobicContact CG2-CB 4.47Å; V932-R936 VanDerWaalsContact O-CG 3.25Å; V932-R936 WeakPolarHBondContact O-CG 3.27Å; V932-R936 PolarHBondContact O-N 2.75Å; V932-R936 PolarHBondContact O-NE 3.11Å
937A94.9Very high92.6Very high0 Ų013.6 Ų13.60%06%0.062CC..EExtended strand (participates in β ladder)trans-81.1135.6-174.800000112.1S760 I764 I901 L940 L941S760-A937 WeakPolarHBondContact CB-O 3.43Å; S760-A937 PolarHBondContact OG-O 3.42Å; I764-A937 HydrophobicContact CD1-CB 3.94Å; I764-A937 HydrophobicContact CG2-CB 4.41Å; I901-A937 HydrophobicContact CB-CB 3.96Å; I901-A937 HydrophobicContact CG1-CB 4.01Å; A937-L940 WeakPolarHBondContact CB-O 3.34Å; A937-L941 HydrophobicContact CB-CB 4.02Å; A937-L941 HydrophobicContact CB-CD1 4.41Å
938K94.4Very high92.2Very high73 Ų7312.6 Ų12.632%0.3176%0.06SC..EExtended strand (participates in β ladder)trans-86.1-50.1169.5-61.1-176.1176.9-168.60112.5R759 S760 H761 E897 R898R759-K938 HydrophobicContact CG-CG 3.85Å; R759-K938 WeakPolarHBondContact O-CA 3.18Å; R759-K938 WeakPolarHBondContact O-CB 3.42Å; S760-K938 CarbonylContact C-O 3.59Å; S760-K938 WeakPolarHBondContact CA-O 3.29Å; H761-K938 PolarHBondContact N-O 3.05Å; E897-K938 WeakPolarHBondContact OE1-CE 3.41Å; E897-K938 IonicContact OE1-NZ 3.28Å; E897-K938 PolarHBondContact OE1-NZ 3.4Å; R898-K938 PolarHBondContact O-N 2.73Å
939A94.1Very high91.7Very high0 Ų010.8 Ų10.80%05%0.052CC..EExtended strand (participates in β ladder)trans-126.3-21.2-165.300000114.7S785 F788 Y789 P801 R899S785-A939 WeakPolarHBondContact O-CB 3.44Å; F788-A939 HydrophobicContact CB-CB 4.18Å; Y789-A939 HydrophobicContact CD2-CB 3.93Å; P801-A939 WeakPolarHBondContact CB-O 3.48Å; R899-A939 HydrophobicContact CG-CB 3.94Å; R899-A939 PolarHBondContact O-N 2.83Å
940L96.1Very high91.5Very high0 Ų09.9 Ų9.90%05%0.049CC..EExtended strand (participates in β ladder)trans-150.7129.4176.9176.460.7000110.7Y789 W792 L795 P801 L836 R899 V900 I901 A937 I942Y789-L940 HydrophobicContact CD1-CD2 3.83Å; Y789-L940 HydrophobicContact CD2-CB 3.85Å; Y789-L940 HydrophobicContact CD2-CD2 4.42Å; Y789-L940 HydrophobicContact CE1-CD2 4.38Å; Y789-L940 HydrophobicContact CG-CB 3.87Å; Y789-L940 HydrophobicContact CG-CD2 3.89Å; Y789-L940 HydrophobicContact CG-CG 4.47Å; W792-L940 HydrophobicContact CE3-CD2 3.84Å; W792-L940 HydrophobicContact CH2-CD2 4.45Å; W792-L940 HydrophobicContact CZ3-CD2 3.76Å; L795-L940 HydrophobicContact CD2-CD1 3.88Å; P801-L940 HydrophobicContact CB-CD1 4.21Å; P801-L940 WeakPolarHBondContact O-CA 2.85Å; P801-L940 WeakPolarHBondContact O-CD1 3.48Å; L836-L940 HydrophobicContact CD2-CD2 3.87Å; R899-L940 PolarHBondContact O-N 3Å; V900-L940 WeakPolarHBondContact CA-O 3.5Å; V900-L940 HydrophobicContact CG1-CB 4.09Å; V900-L940 HydrophobicContact CG1-CD2 3.95Å; V900-L940 HydrophobicContact CG1-CG 4.05Å; V900-L940 HydrophobicContact CG2-CB 4.13Å; V900-L940 HydrophobicContact CG2-CD2 4.39Å; I901-L940 PolarHBondContact N-O 3.35Å; A937-L940 WeakPolarHBondContact CB-O 3.34Å; L940-I942 HydrophobicContact CD1-CG1 4.23Å; L940-I942 HydrophobicContact CD2-CD1 4.18Å; L940-I942 HydrophobicContact CD2-CG1 4.41Å; L940-I942 HydrophobicContact CG-CD1 4.41Å; L940-I942 HydrophobicContact CG-CG1 4.09Å
941L97.8Very high91.2Very high0 Ų012.4 Ų12.40%07%0.067CC..EExtended strand (participates in β ladder)trans-116.5126.3173.3176.763.9000109.6I764 P801 V802 I803 I901 V903 V934 A937 V943 F959I764-L941 HydrophobicContact CD1-CB 4.4Å; I764-L941 HydrophobicContact CG1-CB 4.21Å; I764-L941 HydrophobicContact CG2-CD2 4.35Å; P801-L941 PolarHBondContact O-N 2.92Å; P801-L941 VanDerWaalsContact O-N 3.14Å; V802-L941 WeakPolarHBondContact CA-O 3.39Å; V802-L941 HydrophobicContact CG1-CD2 4.45Å; I803-L941 PolarHBondContact N-O 2.89Å; I901-L941 HydrophobicContact CB-CD1 4.33Å; I901-L941 HydrophobicContact CG2-CD1 4.14Å; V903-L941 HydrophobicContact CG2-CD1 4.1Å; V934-L941 HydrophobicContact CB-CD2 3.91Å; V934-L941 HydrophobicContact CG1-CD2 4.2Å; A937-L941 HydrophobicContact CB-CB 4.02Å; A937-L941 HydrophobicContact CB-CD1 4.41Å; L941-V943 HydrophobicContact CD1-CG2 4.2Å; L941-V943 HydrophobicContact CD2-CG2 4.31Å; L941-V943 HydrophobicContact CG-CG2 4.1Å; L941-F959 HydrophobicContact CD2-CE2 4.09Å; L941-F959 HydrophobicContact CD2-CZ 3.94Å
942I98.3Very high90.4Very high0 Ų014.7 Ų14.70%09%0.085CC..EExtended strand (participates in β ladder)trans-122.4117.3173.4-53.1179.8000108.2W792 I803 Y832 I901 L902 V903 L940 V944W792-I942 HydrophobicContact CH2-CD1 4.35Å; W792-I942 HydrophobicContact CZ3-CD1 4.23Å; I803-I942 HydrophobicContact CB-CG1 4.35Å; I803-I942 HydrophobicContact CB-CG2 4.25Å; I803-I942 HydrophobicContact CD1-CD1 4.38Å; I803-I942 HydrophobicContact CD1-CG1 4.26Å; I803-I942 HydrophobicContact CG2-CG2 4.4Å; I803-I942 CarbonylContact O-C 3.49Å; I803-I942 WeakPolarHBondContact O-CA 2.73Å; Y832-I942 HydrophobicContact CD1-CD1 3.87Å; Y832-I942 HydrophobicContact CD2-CD1 4.41Å; Y832-I942 HydrophobicContact CD2-CG2 3.75Å; Y832-I942 HydrophobicContact CE1-CD1 4.39Å; Y832-I942 HydrophobicContact CE2-CG2 3.67Å; Y832-I942 HydrophobicContact CG-CD1 3.87Å; Y832-I942 HydrophobicContact CG-CG2 4.27Å; I901-I942 PolarHBondContact O-N 3.07Å; L902-I942 CarbonylContact C-O 3.59Å; L902-I942 WeakPolarHBondContact CA-O 3.39Å; L902-I942 HydrophobicContact CD2-CD1 4.4Å; L902-I942 HydrophobicContact CG-CB 4.2Å; L902-I942 HydrophobicContact CG-CD1 4.42Å; V903-I942 PolarHBondContact N-O 2.92Å; L940-I942 HydrophobicContact CD1-CG1 4.23Å; L940-I942 HydrophobicContact CD2-CD1 4.18Å; L940-I942 HydrophobicContact CD2-CG1 4.41Å; L940-I942 HydrophobicContact CG-CD1 4.41Å; L940-I942 HydrophobicContact CG-CG1 4.09Å; I942-V944 HydrophobicContact CG2-CG2 4.24Å
943V97.7Very high90Very high0 Ų014.8 Ų14.80%09%0.086CC..EExtended strand (participates in β ladder)trans-106.5129.5174.8-178.10000108.6I803 F804 H805 V903 L941 W956 F959I803-V943 PolarHBondContact O-N 2.78Å; F804-V943 CarbonylContact C-O 3.56Å; F804-V943 WeakPolarHBondContact CA-O 3.43Å; F804-V943 HydrophobicContact CD2-CB 4.04Å; F804-V943 HydrophobicContact CD2-CG1 3.91Å; F804-V943 HydrophobicContact CE2-CG1 4.06Å; H805-V943 PolarHBondContact N-O 3.31Å; V903-V943 HydrophobicContact CB-CG1 4.39Å; V903-V943 HydrophobicContact CB-CG2 4.26Å; V903-V943 HydrophobicContact CG2-CG2 4.41Å; L941-V943 HydrophobicContact CD1-CG2 4.2Å; L941-V943 HydrophobicContact CD2-CG2 4.31Å; L941-V943 HydrophobicContact CG-CG2 4.1Å; V943-W956 HydrophobicContact CG1-CH2 4Å; V943-W956 HydrophobicContact CG1-CZ3 3.66Å; V943-W956 HydrophobicContact CG2-CZ3 4.39Å; V943-F959 HydrophobicContact CB-CE1 4.1Å; V943-F959 HydrophobicContact CG2-CE1 3.7Å; V943-F959 HydrophobicContact CG2-CZ 3.85Å
944V96.8Very high89.9Confident0 Ų019.1 Ų19.10%011%0.114CC..EExtended strand (participates in β ladder)trans-118.9126.8177.7-1740000108.2H805 V807 E825 V828 L829 V903 A905 I942H805-V944 HydrophobicContact CB-CG2 4.35Å; H805-V944 WeakPolarHBondContact O-CA 2.84Å; V807-V944 HydrophobicContact CB-CG1 4.42Å; V807-V944 HydrophobicContact CG2-CG1 3.45Å; V807-V944 VanDerWaalsContact CG2-CG1 3.45Å; E825-V944 HydrophobicContact CB-CG1 4.03Å; E825-V944 HydrophobicContact CG-CG1 4.03Å; V828-V944 HydrophobicContact CB-CG1 4.02Å; V828-V944 HydrophobicContact CG1-CG1 3.82Å; V828-V944 HydrophobicContact CG1-CG2 3.98Å; L829-V944 HydrophobicContact CD2-CB 4.17Å; L829-V944 HydrophobicContact CD2-CG2 3.57Å; L829-V944 HydrophobicContact CG-CB 4.34Å; L829-V944 HydrophobicContact CG-CG2 4.01Å; V903-V944 PolarHBondContact O-N 3.07Å; A905-V944 PolarHBondContact N-O 3.45Å; I942-V944 HydrophobicContact CG2-CG2 4.24Å
945G91.8Very high89.8Confident0 Ų019.6 Ų19.60%012%0.117CC..EExtended strand (participates in β ladder)trans178.8171-17900000113.9H805 G806 V807 P947H805-G945 PolarHBondContact O-N 3.26Å; G806-G945 CarbonylContact C-O 3.59Å; G806-G945 WeakPolarHBondContact CA-O 3.33Å; V807-G945 PolarHBondContact N-O 2.92Å; G945-P947 WeakPolarHBondContact O-CD 3.48Å
946N86.6Confident89.8Confident12 Ų1219.4 Ų19.46%0.06412%0.116CC..  trans-78.2114.3176.4-173.2-31.9000110.7V807 L948 M949 L950V807-N946 WeakPolarHBondContact O-CA 3.02Å; V807-N946 WeakPolarHBondContact O-CB 3.45Å; N946-L948 VanDerWaalsContact C-N 3.31Å; N946-L948 PolarHBondContact O-N 2.88Å; N946-L948 WeakPolarHBondContact OD1-CB 3.35Å; N946-L948 PolarHBondContact OD1-N 3.33Å; N946-M949 HydrophobicContact CB-CB 4.15Å; N946-M949 HydrophobicContact CB-CG 4.06Å; N946-M949 PolarHBondContact O-N 3.04Å; N946-L950 WeakPolarHBondContact O-CB 3.32Å; N946-L950 WeakPolarHBondContact O-CG 3.48Å; N946-L950 PolarHBondContact O-N 3.23Å
947P86.3Confident89.7Confident9 Ų920.8 Ų20.86%0.05813%0.127CC..Hα-helixtrans-63.4-34.3-175.924.5-33.2000113F804 G945 M949 S951 Y969 F972F804-P947 HydrophobicContact CE1-CB 3.92Å; F804-P947 HydrophobicContact CZ-CB 4.15Å; G945-P947 WeakPolarHBondContact O-CD 3.48Å; P947-M949 VanDerWaalsContact C-N 3.35Å; P947-S951 VanDerWaalsContact O-CB 3.24Å; P947-S951 WeakPolarHBondContact O-CB 3.5Å; P947-S951 PolarHBondContact O-N 3.41Å; P947-S951 PolarHBondContact O-OG 3.02Å; P947-Y969 WeakPolarHBondContact CG-OH 3.22Å; P947-F972 HydrophobicContact CG-CD1 3.89Å; P947-F972 HydrophobicContact CG-CE1 4.34Å
948L78.6Confident89.7Confident92 Ų9223.2 Ų23.248%0.48214%0.144SC..Hα-helixtrans-65.3-43.2-179.2-62.3172.1000110.8N946 F972 H974N946-L948 VanDerWaalsContact C-N 3.31Å; N946-L948 PolarHBondContact O-N 2.88Å; N946-L948 WeakPolarHBondContact OD1-CB 3.35Å; N946-L948 PolarHBondContact OD1-N 3.33Å; L948-F972 HydrophobicContact CD1-CE1 4.22Å; L948-H974 HydrophobicContact CD2-CB 3.98Å
949M78.5Confident89.8Confident13 Ų1319.9 Ų19.96%0.06413%0.13CC..Hα-helixtrans-71.7-42.7-179.2-66.1-57.2-54.600112.3S909 M913 I924 N946 P947S909-M949 WeakPolarHBondContact O-CE 3.32Å; M913-M949 HydrophobicContact CE-CE 4.11Å; M913-M949 HydrophobicContact CG-CE 3.3Å; M913-M949 HydrophobicContact SD-CE 3.3Å; M913-M949 WeakPolarHBondContact SD-CE 3.39Å; M913-M949 HydrophobicContact SD-SD 4.15Å; I924-M949 HydrophobicContact CD1-CB 4.49Å; I924-M949 HydrophobicContact CD1-CE 4.49Å; N946-M949 HydrophobicContact CB-CB 4.15Å; N946-M949 HydrophobicContact CB-CG 4.06Å; N946-M949 PolarHBondContact O-N 3.04Å; P947-M949 VanDerWaalsContact C-N 3.35Å
950L83.4Confident89.8Confident2 Ų220 Ų201%0.0113%0.13CC..Hα-helixtrans-70.6-35.6-179.3-73176.8000112.1F804 A905 I924 N946 A952 D953 W956 I960F804-L950 HydrophobicContact CE2-CD1 3.76Å; F804-L950 HydrophobicContact CZ-CD1 4.03Å; A905-L950 HydrophobicContact CB-CD1 3.79Å; A905-L950 HydrophobicContact CB-CD2 3.97Å; A905-L950 HydrophobicContact CB-CG 4.22Å; I924-L950 HydrophobicContact CG1-CD2 4.19Å; N946-L950 WeakPolarHBondContact O-CB 3.32Å; N946-L950 WeakPolarHBondContact O-CG 3.48Å; N946-L950 PolarHBondContact O-N 3.23Å; L950-A952 PolarHBondContact O-N 3.21Å; L950-A952 VanDerWaalsContact O-N 3.09Å; L950-D953 WeakPolarHBondContact O-CB 3.45Å; L950-D953 PolarHBondContact O-N 3.33Å; L950-W956 HydrophobicContact CB-CB 4.04Å; L950-W956 HydrophobicContact CB-CG 4.25Å; L950-W956 HydrophobicContact CD1-CE3 4.41Å; L950-W956 HydrophobicContact CD2-CD2 3.96Å; L950-W956 HydrophobicContact CD2-CG 3.96Å; L950-W956 WeakPolarHBondContact O-CB 3.48Å; L950-I960 HydrophobicContact CB-CD1 3.86Å
951S84.4Confident89.8Confident53 Ų5324 Ų2437%0.37115%0.149SC..THydrogen-bonded Turntrans-66.5-12-179.7-57.30000113.9P947 D953P947-S951 VanDerWaalsContact O-CB 3.24Å; P947-S951 WeakPolarHBondContact O-CB 3.5Å; P947-S951 PolarHBondContact O-N 3.41Å; P947-S951 PolarHBondContact O-OG 3.02Å; S951-D953 PolarHBondContact O-N 2.89Å
952A76.9Confident89.7Confident47 Ų4724.6 Ų24.639%0.38815%0.151SC..THydrogen-bonded Turntrans-71.9-13.3170.200000113.7M913 L950M913-A952 HydrophobicContact CE-CB 3.15Å; L950-A952 PolarHBondContact O-N 3.21Å; L950-A952 VanDerWaalsContact O-N 3.09Å
953D82.3Confident89.6Confident3 Ų324.6 Ų24.62%0.01615%0.151CC..SBendtrans-97.5126168.1178.4-83.8000109.7I924 K925 L950 S951 N955 W956 A957I924-D953 HydrophobicContact CG2-CB 4.48Å; K925-D953 WeakPolarHBondContact CA-OD2 3.31Å; K925-D953 PolarHBondContact N-OD2 2.93Å; L950-D953 WeakPolarHBondContact O-CB 3.45Å; L950-D953 PolarHBondContact O-N 3.33Å; S951-D953 PolarHBondContact O-N 2.89Å; D953-N955 VanDerWaalsContact C-N 3.28Å; D953-N955 PolarHBondContact O-N 3.18Å; D953-N955 WeakPolarHBondContact OD1-CA 3.47Å; D953-N955 VanDerWaalsContact OD1-CB 3.25Å; D953-N955 WeakPolarHBondContact OD1-CB 3.47Å; D953-N955 PolarHBondContact OD1-N 3.14Å; D953-N955 PolarHBondContact OD1-ND2 3.05Å; D953-W956 HydrophobicContact CB-CB 4.19Å; D953-W956 HydrophobicContact CB-CG 4.42Å; D953-W956 PolarHBondContact O-N 3.3Å; D953-W956 PolarHBondContact OD1-N 2.98Å; D953-A957 WeakPolarHBondContact O-CB 3.4Å; D953-A957 PolarHBondContact O-N 3.38Å
954P89.2Confident89.5Confident90 Ų9029.3 Ų29.358%0.58417%0.172SC*.Hα-helixtrans-59.2-33-177.1-26.634.8000115S958P954-S958 WeakPolarHBondContact O-CB 3.4Å; P954-S958 PolarHBondContact O-N 2.95Å; P954-S958 PolarHBondContact O-OG 2.97Å
955N92.3Very high89.4Confident12 Ų1235.8 Ų35.86%0.06420%0.202CC..Hα-helixtrans-72.6-44.1-179-54.5-66.8000110.4L771 E927 F930 D953 S958 F959L771-N955 HydrophobicContact CD1-CB 3.95Å; E927-N955 WeakPolarHBondContact CG-ND2 3.38Å; F930-N955 HydrophobicContact CD1-CB 3.96Å; F930-N955 HydrophobicContact CE1-CB 4.1Å; F930-N955 HydrophobicContact CG-CB 4.19Å; F930-N955 HydrophobicContact CZ-CB 4.45Å; D953-N955 VanDerWaalsContact C-N 3.28Å; D953-N955 PolarHBondContact O-N 3.18Å; D953-N955 WeakPolarHBondContact OD1-CA 3.47Å; D953-N955 VanDerWaalsContact OD1-CB 3.25Å; D953-N955 WeakPolarHBondContact OD1-CB 3.47Å; D953-N955 PolarHBondContact OD1-N 3.14Å; D953-N955 PolarHBondContact OD1-ND2 3.05Å; N955-S958 PolarHBondContact O-N 2.86Å; N955-F959 PolarHBondContact O-N 3.17Å
956W92.6Very high89.5Confident0 Ų038.9 Ų38.90%022%0.217CC..Hα-helixtrans-66.6-40.3173.9-77.4109.1000112.6F923 F930 V943 L950 D953 S958 F959 I960F923-W956 HydrophobicContact CB-CZ2 3.67Å; F923-W956 AromaticContact CD1-CZ2 3.95Å; F923-W956 HydrophobicContact CD1-CZ2 3.95Å; F923-W956 HydrophobicContact CD2-CZ2 4.22Å; F923-W956 AromaticContact CG-CZ2 3.73Å; F923-W956 HydrophobicContact CG-CZ2 3.73Å; F923-W956 PolarHBondContact O-NE1 3.47Å; F930-W956 AromaticContact CD2-CD2 3.62Å; F930-W956 HydrophobicContact CD2-CD2 3.62Å; F930-W956 AromaticContact CD2-CE2 3.49Å; F930-W956 VanDerWaalsContact CD2-CE2 3.49Å; F930-W956 AromaticContact CD2-CE3 3.86Å; F930-W956 HydrophobicContact CD2-CE3 3.86Å; F930-W956 HydrophobicContact CD2-CG 4.18Å; F930-W956 AromaticContact CD2-CH2 3.89Å; F930-W956 HydrophobicContact CD2-CH2 3.89Å; F930-W956 AromaticContact CD2-CZ2 3.66Å; F930-W956 HydrophobicContact CD2-CZ2 3.66Å; F930-W956 AromaticContact CD2-CZ3 3.96Å; F930-W956 HydrophobicContact CD2-CZ3 3.96Å; F930-W956 AromaticContact CD2-NE1 3.89Å; F930-W956 AromaticContact CE2-CD2 3.87Å; F930-W956 HydrophobicContact CE2-CD2 3.87Å; F930-W956 AromaticContact CE2-CE3 3.69Å; F930-W956 HydrophobicContact CE2-CE3 3.69Å; F930-W956 HydrophobicContact CE2-CG 4.45Å; F930-W956 HydrophobicContact CE2-CH2 4.21Å; F930-W956 HydrophobicContact CE2-CZ2 4.38Å; F930-W956 AromaticContact CE2-CZ3 3.84Å; F930-W956 HydrophobicContact CE2-CZ3 3.84Å; V943-W956 HydrophobicContact CG1-CH2 4Å; V943-W956 HydrophobicContact CG1-CZ3 3.66Å; V943-W956 HydrophobicContact CG2-CZ3 4.39Å; L950-W956 HydrophobicContact CB-CB 4.04Å; L950-W956 HydrophobicContact CB-CG 4.25Å; L950-W956 HydrophobicContact CD1-CE3 4.41Å; L950-W956 HydrophobicContact CD2-CD2 3.96Å; L950-W956 HydrophobicContact CD2-CG 3.96Å; L950-W956 WeakPolarHBondContact O-CB 3.48Å; D953-W956 HydrophobicContact CB-CB 4.19Å; D953-W956 HydrophobicContact CB-CG 4.42Å; D953-W956 PolarHBondContact O-N 3.3Å; D953-W956 PolarHBondContact OD1-N 2.98Å; W956-S958 VanDerWaalsContact C-N 3.33Å; W956-S958 PolarHBondContact O-N 2.78Å; W956-F959 HydrophobicContact CE3-CD1 4.17Å; W956-F959 HydrophobicContact CZ3-CD1 4.14Å; W956-F959 HydrophobicContact CZ3-CE1 4.47Å; W956-F959 PolarHBondContact O-N 2.85Å; W956-I960 WeakPolarHBondContact O-CB 3.42Å; W956-I960 VanDerWaalsContact O-CG1 3.25Å; W956-I960 WeakPolarHBondContact O-CG1 3.41Å; W956-I960 PolarHBondContact O-N 3.25Å
957A91.8Very high89.9Confident30 Ų3039.9 Ų39.925%0.24823%0.23CC..Hα-helixtrans-56.6-48.8174.400000110.9D953 F959 I960 E961D953-A957 WeakPolarHBondContact O-CB 3.4Å; D953-A957 PolarHBondContact O-N 3.38Å; A957-F959 VanDerWaalsContact C-N 3.32Å; A957-F959 PolarHBondContact O-N 3.16Å; A957-I960 PolarHBondContact O-N 3.36Å; A957-E961 WeakPolarHBondContact O-CB 3.4Å; A957-E961 PolarHBondContact O-N 3.24Å
958S94.6Very high90.2Very high51 Ų5139.5 Ų39.536%0.35723%0.227SC..Hα-helixtrans-60.4-40.7176.6-56.20000112.1P954 N955 W956 Y962P954-S958 WeakPolarHBondContact O-CB 3.4Å; P954-S958 PolarHBondContact O-N 2.95Å; P954-S958 PolarHBondContact O-OG 2.97Å; N955-S958 PolarHBondContact O-N 2.86Å; W956-S958 VanDerWaalsContact C-N 3.33Å; W956-S958 PolarHBondContact O-N 2.78Å; S958-Y962 WeakPolarHBondContact O-CB 3.48Å; S958-Y962 PolarHBondContact O-N 2.64Å
959F95.9Very high91Very high3 Ų337.1 Ų37.11%0.01321%0.212CC..Hα-helixtrans-66.5-42.8176.8-179.8-97.4000113.1I767 V802 F804 F930 L941 V943 N955 W956 A957 C963I767-F959 HydrophobicContact CB-CD2 4.36Å; I767-F959 HydrophobicContact CG1-CD2 4.34Å; I767-F959 HydrophobicContact CG2-CB 4.27Å; I767-F959 HydrophobicContact CG2-CD2 4.36Å; V802-F959 HydrophobicContact CG1-CE2 3.97Å; V802-F959 HydrophobicContact CG1-CZ 3.64Å; F804-F959 HydrophobicContact CB-CE1 4.36Å; F804-F959 HydrophobicContact CD2-CD1 4.34Å; F804-F959 HydrophobicContact CD2-CE1 4.16Å; F930-F959 HydrophobicContact CE2-CB 3.96Å; F930-F959 HydrophobicContact CE2-CG 4.21Å; F930-F959 HydrophobicContact CZ-CB 3.91Å; F930-F959 HydrophobicContact CZ-CD2 4.31Å; F930-F959 HydrophobicContact CZ-CG 4.28Å; L941-F959 HydrophobicContact CD2-CE2 4.09Å; L941-F959 HydrophobicContact CD2-CZ 3.94Å; V943-F959 HydrophobicContact CB-CE1 4.1Å; V943-F959 HydrophobicContact CG2-CE1 3.7Å; V943-F959 HydrophobicContact CG2-CZ 3.85Å; N955-F959 PolarHBondContact O-N 3.17Å; W956-F959 HydrophobicContact CE3-CD1 4.17Å; W956-F959 HydrophobicContact CZ3-CD1 4.14Å; W956-F959 HydrophobicContact CZ3-CE1 4.47Å; W956-F959 PolarHBondContact O-N 2.85Å; A957-F959 VanDerWaalsContact C-N 3.32Å; A957-F959 PolarHBondContact O-N 3.16Å; F959-C963 PolarHBondContact O-N 3.21Å; F959-C963 PolarHBondContact O-SG 3.15Å
960I94.8Very high91.7Very high2 Ų238.1 Ų38.11%0.0122%0.22CC..Hα-helixtrans-65.3-44.2178.6-70.1165.8000109.9F804 L950 W956 A957 C963 K964 Y969F804-I960 HydrophobicContact CD1-CG1 4.25Å; F804-I960 HydrophobicContact CD1-CG2 4.49Å; F804-I960 HydrophobicContact CD2-CG1 3.81Å; F804-I960 HydrophobicContact CE1-CD1 4.27Å; F804-I960 HydrophobicContact CE1-CG1 4.08Å; F804-I960 HydrophobicContact CE1-CG2 4.49Å; F804-I960 HydrophobicContact CE2-CD1 3.85Å; F804-I960 HydrophobicContact CE2-CG1 3.61Å; F804-I960 HydrophobicContact CG-CG1 4.12Å; F804-I960 HydrophobicContact CZ-CD1 3.69Å; F804-I960 HydrophobicContact CZ-CG1 3.75Å; L950-I960 HydrophobicContact CB-CD1 3.86Å; W956-I960 WeakPolarHBondContact O-CB 3.42Å; W956-I960 VanDerWaalsContact O-CG1 3.25Å; W956-I960 WeakPolarHBondContact O-CG1 3.41Å; W956-I960 PolarHBondContact O-N 3.25Å; A957-I960 PolarHBondContact O-N 3.36Å; I960-C963 WeakPolarHBondContact O-CB 3.46Å; I960-C963 PolarHBondContact O-N 3.18Å; I960-C963 VanDerWaalsContact O-N 3.14Å; I960-K964 PolarHBondContact O-N 2.84Å; I960-Y969 HydrophobicContact CG2-CD2 4.22Å; I960-Y969 HydrophobicContact CG2-CE2 3.93Å
961E95Very high91.9Very high84 Ų8439.3 Ų39.339%0.39323%0.233SC..Hα-helixtrans-63.1-45.3179-163.755.9-145.300111.4A957 C963 K964 E965A957-E961 WeakPolarHBondContact O-CB 3.4Å; A957-E961 PolarHBondContact O-N 3.24Å; E961-C963 VanDerWaalsContact C-N 3.26Å; E961-C963 PolarHBondContact O-N 2.91Å; E961-K964 WeakPolarHBondContact O-CA 3.41Å; E961-K964 WeakPolarHBondContact O-CB 3.49Å; E961-K964 PolarHBondContact O-N 3.46Å; E961-K964 WeakPolarHBondContact OE2-CD 3.44Å; E961-K964 IonicContact OE2-NZ 2.66Å; E961-K964 PolarHBondContact OE2-NZ 2.98Å; E961-E965 WeakPolarHBondContact O-CG 3.27Å; E961-E965 PolarHBondContact O-N 3.45Å
962Y96.5Very high91.9Very high14 Ų1437.7 Ų37.76%0.05522%0.219CC..Hα-helixtrans-56.1-39.6171.9169.6-119.8000113.2A763 K766 I767 F800 S958 K964 E966A763-Y962 WeakPolarHBondContact CA-OH 3.37Å; A763-Y962 WeakPolarHBondContact O-CE1 3.45Å; A763-Y962 PolarHBondContact O-OH 3.12Å; K766-Y962 HydrophobicContact CB-CE1 4.48Å; K766-Y962 HydrophobicContact CD-CD2 3.89Å; K766-Y962 HydrophobicContact CD-CE1 4.47Å; K766-Y962 HydrophobicContact CD-CE2 3.25Å; K766-Y962 HydrophobicContact CG-CE2 4.47Å; I767-Y962 HydrophobicContact CD1-CD1 4.07Å; I767-Y962 HydrophobicContact CD1-CG 3.85Å; I767-Y962 HydrophobicContact CG1-CD1 3.45Å; I767-Y962 VanDerWaalsContact CG1-CD1 3.45Å; I767-Y962 HydrophobicContact CG1-CE1 4.06Å; I767-Y962 HydrophobicContact CG1-CG 3.79Å; F800-Y962 HydrophobicContact CE2-CE1 4.04Å; F800-Y962 HydrophobicContact CE2-CE2 4.16Å; F800-Y962 AromaticContact CE2-CZ 3.61Å; F800-Y962 WeakPolarHBondContact CE2-OH 3.5Å; F800-Y962 HydrophobicContact CZ-CD1 4.36Å; F800-Y962 AromaticContact CZ-CE1 3.77Å; F800-Y962 HydrophobicContact CZ-CE1 3.77Å; F800-Y962 HydrophobicContact CZ-CE2 4.36Å; F800-Y962 AromaticContact CZ-CZ 3.8Å; S958-Y962 WeakPolarHBondContact O-CB 3.48Å; S958-Y962 PolarHBondContact O-N 2.64Å; Y962-K964 VanDerWaalsContact C-N 3.34Å; Y962-E966 HydrophobicContact CD2-CG 3.79Å; Y962-E966 HydrophobicContact CE2-CB 4.42Å; Y962-E966 HydrophobicContact CE2-CG 3.43Å; Y962-E966 VanDerWaalsContact CE2-CG 3.43Å; Y962-E966 WeakPolarHBondContact O-CB 3.19Å; Y962-E966 PolarHBondContact O-N 3.19Å
963C96.3Very high91.7Very high0 Ų038.1 Ų38.10%022%0.219CC..Hα-helixtrans-67.6-32.5174.7-66.70000112.5F804 F959 I960 E961 G967 G968 Y969F804-C963 HydrophobicContact CB-CB 3.86Å; F959-C963 PolarHBondContact O-N 3.21Å; F959-C963 PolarHBondContact O-SG 3.15Å; I960-C963 WeakPolarHBondContact O-CB 3.46Å; I960-C963 PolarHBondContact O-N 3.18Å; I960-C963 VanDerWaalsContact O-N 3.14Å; E961-C963 VanDerWaalsContact C-N 3.26Å; E961-C963 PolarHBondContact O-N 2.91Å; C963-G967 CarbonylContact O-C 3.52Å; C963-G967 PolarHBondContact O-N 3.2Å; C963-G968 CarbonylContact O-C 3.53Å; C963-G968 WeakPolarHBondContact O-CA 3.36Å; C963-G968 PolarHBondContact O-N 2.72Å; C963-Y969 PolarHBondContact O-N 3.45Å
964K94.2Very high90.7Very high98 Ų9842.7 Ų42.743%0.42624%0.24SC..Hα-helixtrans-70.4-51.8174.8-69.6174.2-177171.50111.3I960 E961 Y962 E966 G967 Y969I960-K964 PolarHBondContact O-N 2.84Å; E961-K964 WeakPolarHBondContact O-CA 3.41Å; E961-K964 WeakPolarHBondContact O-CB 3.49Å; E961-K964 PolarHBondContact O-N 3.46Å; E961-K964 WeakPolarHBondContact OE2-CD 3.44Å; E961-K964 IonicContact OE2-NZ 2.66Å; E961-K964 PolarHBondContact OE2-NZ 2.98Å; Y962-K964 VanDerWaalsContact C-N 3.34Å; K964-E966 VanDerWaalsContact C-N 3.32Å; K964-E966 PolarHBondContact O-N 3.11Å; K964-G967 PolarHBondContact O-N 3.22Å; K964-Y969 HydrophobicContact CG-CD2 3.65Å; K964-Y969 HydrophobicContact CG-CE2 4.35Å; K964-Y969 HydrophobicContact CG-CG 3.93Å
965E95.1Very high88.9Confident137 Ų13740.6 Ų40.664%0.6423%0.23SC*.Hα-helixtrans-57.7-43.9-179.6-69.8-179.8163.400111.8E961 G967E961-E965 WeakPolarHBondContact O-CG 3.27Å; E961-E965 PolarHBondContact O-N 3.45Å; E965-G967 VanDerWaalsContact C-N 3.3Å; E965-G967 PolarHBondContact O-N 2.93Å
966E95.1Very high86.7Confident65 Ų6549.4 Ų49.430%0.30427%0.271SS..THydrogen-bonded Turntrans-83.2-2.3179-71.1-62.9164.600113.7K797 F800 Y962 K964K797-E966 WeakPolarHBondContact CD-O 3.27Å; K797-E966 WeakPolarHBondContact CE-O 2.86Å; K797-E966 PolarHBondContact NZ-O 3.16Å; K797-E966 IonicContact NZ-OE2 2.8Å; K797-E966 PolarHBondContact NZ-OE2 3.07Å; F800-E966 HydrophobicContact CD1-CB 4.37Å; F800-E966 HydrophobicContact CD2-CB 3.92Å; F800-E966 HydrophobicContact CD2-CG 4.38Å; F800-E966 HydrophobicContact CE1-CB 3.99Å; F800-E966 HydrophobicContact CE2-CB 3.49Å; F800-E966 VanDerWaalsContact CE2-CB 3.49Å; F800-E966 HydrophobicContact CE2-CG 3.77Å; F800-E966 HydrophobicContact CG-CB 4.33Å; F800-E966 HydrophobicContact CZ-CB 3.53Å; F800-E966 HydrophobicContact CZ-CG 4.13Å; Y962-E966 HydrophobicContact CD2-CG 3.79Å; Y962-E966 HydrophobicContact CE2-CB 4.42Å; Y962-E966 HydrophobicContact CE2-CG 3.43Å; Y962-E966 VanDerWaalsContact CE2-CG 3.43Å; Y962-E966 WeakPolarHBondContact O-CB 3.19Å; Y962-E966 PolarHBondContact O-N 3.19Å; K964-E966 VanDerWaalsContact C-N 3.32Å; K964-E966 PolarHBondContact O-N 3.11Å
967G93.4Very high84.6Confident33 Ų3352.1 Ų52.134%0.3428%0.284SS..THydrogen-bonded Turntrans73.626.8178.400000114.9P796 K797 C963 K964 E965P796-G967 WeakPolarHBondContact CB-O 3.46Å; K797-G967 WeakPolarHBondContact CB-O 3.38Å; C963-G967 CarbonylContact O-C 3.52Å; C963-G967 PolarHBondContact O-N 3.2Å; K964-G967 PolarHBondContact O-N 3.22Å; E965-G967 VanDerWaalsContact C-N 3.3Å; E965-G967 PolarHBondContact O-N 2.93Å
968G94Very high82.5Confident0 Ų056.4 Ų56.40%030%0.303CS..  trans-96.25.117000000115.1I803 F804 C963I803-G968 WeakPolarHBondContact CA-O 3.24Å; F804-G968 PolarHBondContact N-O 3.21Å; F804-G968 VanDerWaalsContact N-O 3.07Å; C963-G968 CarbonylContact O-C 3.53Å; C963-G968 WeakPolarHBondContact O-CA 3.36Å; C963-G968 PolarHBondContact O-N 2.72Å
969Y95.1Very high80.2Confident43 Ų4361.6 Ų61.617%0.16932%0.321CS..EExtended strand (participates in β ladder)trans-78.9141.9175.7-168.1-81.7000111.8F804 P947 I960 C963 K964 F972F804-Y969 AromaticContact CD1-CD2 3.66Å; F804-Y969 HydrophobicContact CD1-CD2 3.66Å; F804-Y969 AromaticContact CD1-CE2 3.42Å; F804-Y969 HydrophobicContact CD1-CE2 3.42Å; F804-Y969 VanDerWaalsContact CD1-CE2 3.42Å; F804-Y969 HydrophobicContact CE1-CD2 4.38Å; F804-Y969 AromaticContact CE1-CE2 3.68Å; F804-Y969 HydrophobicContact CE1-CE2 3.68Å; F804-Y969 CarbonylContact O-C 3.45Å; F804-Y969 WeakPolarHBondContact O-CA 3.08Å; P947-Y969 WeakPolarHBondContact CG-OH 3.22Å; I960-Y969 HydrophobicContact CG2-CD2 4.22Å; I960-Y969 HydrophobicContact CG2-CE2 3.93Å; C963-Y969 PolarHBondContact O-N 3.45Å; K964-Y969 HydrophobicContact CG-CD2 3.65Å; K964-Y969 HydrophobicContact CG-CE2 4.35Å; K964-Y969 HydrophobicContact CG-CG 3.93Å; Y969-F972 PolarHBondContact OH-O 3.08Å
970S92.7Very high77.7Confident34 Ų3469 Ų6924%0.23836%0.356CS..EExtended strand (participates in β ladder)trans-151.7168.4175.4-71.10000111.9P796 F804 H805 G806P796-S970 WeakPolarHBondContact CG-OG 3.45Å; F804-S970 PolarHBondContact O-N 2.85Å; H805-S970 CarbonylContact C-O 3.39Å; H805-S970 VanDerWaalsContact CA-O 3.31Å; H805-S970 WeakPolarHBondContact CA-O 3.16Å; G806-S970 PolarHBondContact N-O 3.42Å
971G88.1Confident75.6Confident26 Ų2672.9 Ų72.927%0.26838%0.375SS..EExtended strand (participates in β ladder)trans82.9-146.1176.100000113.5S973G971-S973 PolarHBondContact O-N 3.36Å
972F83.6Confident73.5Confident19 Ų1969.7 Ų69.78%0.08336%0.361CS..  trans-63.7123-179174.9-105.4000111.1Y197 L230 F234 G806 A808 P947 L948 Y969Y197-F972 HydrophobicContact CE2-CD2 4.5Å; L230-F972 HydrophobicContact CD1-CB 4.41Å; F234-F972 HydrophobicContact CD1-CD2 4.49Å; F234-F972 HydrophobicContact CD1-CE2 4.37Å; F234-F972 AromaticContact CE1-CD2 3.82Å; F234-F972 HydrophobicContact CE1-CD2 3.82Å; F234-F972 HydrophobicContact CE1-CE2 4.14Å; G806-F972 WeakPolarHBondContact O-CB 3.45Å; G806-F972 PolarHBondContact O-N 3.17Å; A808-F972 HydrophobicContact CB-CB 4.48Å; A808-F972 HydrophobicContact CB-CD1 3.96Å; A808-F972 HydrophobicContact CB-CD2 3.93Å; A808-F972 HydrophobicContact CB-CE1 4.12Å; A808-F972 HydrophobicContact CB-CE2 4.08Å; A808-F972 HydrophobicContact CB-CG 3.85Å; A808-F972 HydrophobicContact CB-CZ 4.18Å; P947-F972 HydrophobicContact CG-CD1 3.89Å; P947-F972 HydrophobicContact CG-CE1 4.34Å; L948-F972 HydrophobicContact CD1-CE1 4.22Å; Y969-F972 PolarHBondContact OH-O 3.08Å
973S72.4Confident71.1Confident57 Ų5770.5 Ų70.540%0.39937%0.367SS..  trans-119.2135.516761.10000108.8G971G971-S973 PolarHBondContact O-N 3.36Å
974H61.5Low69Low98 Ų9873.2 Ų73.245%0.45439%0.389SS..  trans-66.9139.1168-163.8-83.5000108.5L948 E976L948-H974 HydrophobicContact CD2-CB 3.98Å; H974-E976 PolarHBondContact O-N 2.96Å
975A52.9Low67.2Low46 Ų4670.9 Ų70.938%0.3838%0.379SS..  trans-66.1131.5171.100000108.1E977A975-E977 HydrophobicContact CB-CG 4.37Å; A975-E977 PolarHBondContact O-N 3.47Å
976E44.9Very low65.1Low198 Ų19866.4 Ų66.493%0.92536%0.359SS*.  trans-67.278.1169.9-67.2172177.600108.3H974H974-E976 PolarHBondContact O-N 2.96Å
977E48.9Very low62.9Low57 Ų5765.1 Ų65.127%0.26636%0.358SS..  trans-98.3140.9165.6-68.9-165.9162.500108.4W194 A975 E979 I982W194-E977 WeakPolarHBondContact CB-OE1 3.36Å; A975-E977 HydrophobicContact CB-CG 4.37Å; A975-E977 PolarHBondContact O-N 3.47Å; E977-E979 PolarHBondContact O-N 2.94Å; E977-I982 HydrophobicContact CB-CD1 4.22Å
978D47.2Very low61.1Low119 Ų11968.3 Ų68.364%0.63636%0.364SS*.  trans-52.3109.5175.3-85.6-42.6000109.4E980 M981 I982D978-E980 HydrophobicContact CB-CB 4.49Å; D978-E980 PolarHBondContact O-N 2.9Å; D978-M981 HydrophobicContact CB-CB 4.13Å; D978-M981 WeakPolarHBondContact O-CB 3.28Å; D978-M981 PolarHBondContact O-N 3.34Å; D978-I982 PolarHBondContact O-N 3.4Å
979E46.1Very low59.4Low160 Ų16069.2 Ų69.275%0.74837%0.368SS*.Hα-helixtrans-50.7-31.6171.6-71.2-176164.400110.2E977 M981 I982 V983E977-E979 PolarHBondContact O-N 2.94Å; E979-M981 PolarHBondContact O-N 3.46Å; E979-I982 PolarHBondContact O-N 3.47Å; E979-V983 WeakPolarHBondContact O-CB 3.4Å; E979-V983 WeakPolarHBondContact O-CG2 3.38Å; E979-V983 PolarHBondContact O-N 2.95Å
980E44Very low57.3Low159 Ų15972 Ų7274%0.74338%0.379SS*.Hα-helixtrans-59.4-41.6172.5-65.9-173.6174.300113.7D978 I982 A984D978-E980 HydrophobicContact CB-CB 4.49Å; D978-E980 PolarHBondContact O-N 2.9Å; E980-I982 VanDerWaalsContact C-N 3.35Å; E980-A984 VanDerWaalsContact O-CB 3.26Å; E980-A984 WeakPolarHBondContact O-CB 3.42Å; E980-A984 PolarHBondContact O-N 3.33Å
981M50.1Low55.1Low84 Ų8475.8 Ų75.841%0.41440%0.396SS..Hα-helixtrans-69.6-36.7178.9-171.6-175.264.300111.2D978 E979 K985D978-M981 HydrophobicContact CB-CB 4.13Å; D978-M981 WeakPolarHBondContact O-CB 3.28Å; D978-M981 PolarHBondContact O-N 3.34Å; E979-M981 PolarHBondContact O-N 3.46Å; M981-K985 WeakPolarHBondContact O-CG 3.5Å; M981-K985 PolarHBondContact O-N 2.9Å
982I50.9Low53.2Low17 Ų1777 Ų779%0.08740%0.4CS..Hα-helixtrans-70.1-46.1178.1-68.7176.7000110.2Y130 E977 D978 E979 E980 A984 K985 L986Y130-I982 HydrophobicContact CE1-CG2 4.43Å; Y130-I982 HydrophobicContact CE2-CG2 4.24Å; Y130-I982 WeakPolarHBondContact OH-CG2 3.39Å; E977-I982 HydrophobicContact CB-CD1 4.22Å; D978-I982 PolarHBondContact O-N 3.4Å; E979-I982 PolarHBondContact O-N 3.47Å; E980-I982 VanDerWaalsContact C-N 3.35Å; I982-A984 VanDerWaalsContact C-N 3.32Å; I982-A984 PolarHBondContact O-N 2.92Å; I982-K985 PolarHBondContact O-N 3.36Å; I982-L986 PolarHBondContact O-N 3.23Å
983V47.4Very low51.3Low31 Ų3178.3 Ų78.319%0.18841%0.407CS..Hα-helixtrans-58.6-44.1172.9169.30000110.3V126 E979 K985 L986 S987V126-V983 HydrophobicContact CG1-CG1 4.28Å; E979-V983 WeakPolarHBondContact O-CB 3.4Å; E979-V983 WeakPolarHBondContact O-CG2 3.38Å; E979-V983 PolarHBondContact O-N 2.95Å; V983-K985 PolarHBondContact O-N 3.38Å; V983-L986 PolarHBondContact O-N 3.02Å; V983-S987 WeakPolarHBondContact O-CB 3.27Å; V983-S987 PolarHBondContact O-N 3.06Å; V983-S987 PolarHBondContact O-OG 3.27Å
984A52.1Low49.6Very low56 Ų5680.4 Ų80.446%0.46341%0.411SS..Hα-helixtrans-60.3-44.3176.800000113E980 I982 L986 S987 E988E980-A984 VanDerWaalsContact O-CB 3.26Å; E980-A984 WeakPolarHBondContact O-CB 3.42Å; E980-A984 PolarHBondContact O-N 3.33Å; I982-A984 VanDerWaalsContact C-N 3.32Å; I982-A984 PolarHBondContact O-N 2.92Å; A984-L986 PolarHBondContact O-N 2.94Å; A984-S987 PolarHBondContact O-N 3.29Å; A984-E988 PolarHBondContact O-N 2.96Å
985K55.7Low48.5Very low50 Ų5080.1 Ų80.122%0.21743%0.425CS..Hα-helixtrans-62-41.4176.2-73.8173-175.5177.30112.2M981 I982 V983 L989M981-K985 WeakPolarHBondContact O-CG 3.5Å; M981-K985 PolarHBondContact O-N 2.9Å; I982-K985 PolarHBondContact O-N 3.36Å; V983-K985 PolarHBondContact O-N 3.38Å; K985-L989 WeakPolarHBondContact O-CD1 3.37Å; K985-L989 WeakPolarHBondContact O-CG 3.28Å; K985-L989 PolarHBondContact O-N 3.2Å
986L50.8Low47.9Very low43 Ų4386.3 Ų86.323%0.22545%0.446CS..Hα-helixtrans-72.4-36.1176.1-78.9-157.5000113.2Y130 L192 I982 V983 A984 E988 L989 Y990Y130-L986 HydrophobicContact CD2-CD1 3.97Å; Y130-L986 HydrophobicContact CE1-CD1 4.16Å; Y130-L986 HydrophobicContact CE2-CD1 3.16Å; Y130-L986 HydrophobicContact CE2-CG 4.13Å; Y130-L986 WeakPolarHBondContact OH-CD1 3.29Å; Y130-L986 VanDerWaalsContact OH-CG 3.27Å; Y130-L986 WeakPolarHBondContact OH-CG 3.31Å; L192-L986 HydrophobicContact CD1-CD2 3.95Å; L192-L986 HydrophobicContact CD2-CD2 4.38Å; I982-L986 PolarHBondContact O-N 3.23Å; V983-L986 PolarHBondContact O-N 3.02Å; A984-L986 PolarHBondContact O-N 2.94Å; L986-E988 VanDerWaalsContact C-N 3.33Å; L986-L989 HydrophobicContact CD2-CD1 4.11Å; L986-L989 PolarHBondContact O-N 3.29Å; L986-Y990 VanDerWaalsContact O-CB 3.23Å; L986-Y990 WeakPolarHBondContact O-CB 3.24Å; L986-Y990 PolarHBondContact O-N 3.41Å
987S49.8Very low47.3Very low38 Ų3880.1 Ų80.127%0.26642%0.419SS..Hα-helixtrans-62.4-41.1173.7-64.40000111V983 A984 Y990 I991V983-S987 WeakPolarHBondContact O-CB 3.27Å; V983-S987 PolarHBondContact O-N 3.06Å; V983-S987 PolarHBondContact O-OG 3.27Å; A984-S987 PolarHBondContact O-N 3.29Å; S987-Y990 PolarHBondContact O-N 3.11Å; S987-I991 WeakPolarHBondContact O-CB 3.24Å; S987-I991 WeakPolarHBondContact O-CD1 3.44Å; S987-I991 WeakPolarHBondContact O-CG1 3.28Å; S987-I991 PolarHBondContact O-N 3.03Å
988E56Low46.4Very low100 Ų10085.1 Ų85.147%0.46745%0.446SS..Hα-helixtrans-60.8-45.4174.2-167.6-179.5175.900111.6K208 A984 L986 S992K208-E988 IonicContact NZ-OE1 2.69Å; K208-E988 PolarHBondContact NZ-OE1 2.77Å; A984-E988 PolarHBondContact O-N 2.96Å; L986-E988 VanDerWaalsContact C-N 3.33Å; E988-S992 PolarHBondContact O-N 3.21Å
989L56.3Low45.5Very low19 Ų1983.3 Ų83.310%0.09944%0.443CS..Hα-helixtrans-63.4-40.5174.8-75.2157.9000112.2L192 A239 H254 K985 L986 S992 I993L192-L989 HydrophobicContact CD2-CD1 3.44Å; L192-L989 VanDerWaalsContact CD2-CD1 3.44Å; A239-L989 HydrophobicContact CB-CD1 4.46Å; A239-L989 HydrophobicContact CB-CD2 4.49Å; H254-L989 HydrophobicContact CB-CD2 4.02Å; H254-L989 VanDerWaalsContact CD2-CD2 3.47Å; H254-L989 WeakPolarHBondContact CD2-CD2 3.45Å; K985-L989 WeakPolarHBondContact O-CD1 3.37Å; K985-L989 WeakPolarHBondContact O-CG 3.28Å; K985-L989 PolarHBondContact O-N 3.2Å; L986-L989 HydrophobicContact CD2-CD1 4.11Å; L986-L989 PolarHBondContact O-N 3.29Å; L989-S992 PolarHBondContact O-OG 3.32Å; L989-I993 WeakPolarHBondContact O-CD1 3.34Å; L989-I993 WeakPolarHBondContact O-CG1 3.41Å
990Y52.2Low44.5Very low100 Ų10083.4 Ų83.439%0.39245%0.447SS..Hα-helixtrans-70.3-42.7-179.3-171.1-104.9000112.7L986 S987 S992 I993 E994L986-Y990 VanDerWaalsContact O-CB 3.23Å; L986-Y990 WeakPolarHBondContact O-CB 3.24Å; L986-Y990 PolarHBondContact O-N 3.41Å; S987-Y990 PolarHBondContact O-N 3.11Å; Y990-S992 VanDerWaalsContact C-N 3.27Å; Y990-S992 PolarHBondContact O-N 2.87Å; Y990-I993 PolarHBondContact O-N 3.14Å; Y990-E994 HydrophobicContact CD1-CG 4.06Å; Y990-E994 HydrophobicContact CE1-CG 3.65Å; Y990-E994 VanDerWaalsContact CE1-OE1 3.24Å; Y990-E994 WeakPolarHBondContact CE1-OE1 3.39Å; Y990-E994 PolarHBondContact O-N 2.75Å
991I46.8Very low43.6Very low114 Ų11481 Ų8159%0.58545%0.448SS*.Hα-helixtrans-59.7-36.7177.8-71.3162.7000111.3S987 I993S987-I991 WeakPolarHBondContact O-CB 3.24Å; S987-I991 WeakPolarHBondContact O-CD1 3.44Å; S987-I991 WeakPolarHBondContact O-CG1 3.28Å; S987-I991 PolarHBondContact O-N 3.03Å; I991-I993 VanDerWaalsContact C-N 3.26Å; I991-I993 PolarHBondContact O-N 2.98Å
992S46.9Very low42.3Very low51 Ų5182.9 Ų82.936%0.35746%0.464SS..Hα-helixtrans-68.2-22.5176.773.70000114.1E988 L989 Y990E988-S992 PolarHBondContact O-N 3.21Å; L989-S992 PolarHBondContact O-OG 3.32Å; Y990-S992 VanDerWaalsContact C-N 3.27Å; Y990-S992 PolarHBondContact O-N 2.87Å
993I44.3Very low41.1Very low47 Ų4787.7 Ų87.724%0.24149%0.486CS..Hα-helixtrans-96.5-32.4-177-63.6166.4000111.3L141 L989 Y990 I991 A995 E996L141-I993 HydrophobicContact CD2-CD1 3.53Å; L141-I993 HydrophobicContact CG-CD1 4.31Å; L989-I993 WeakPolarHBondContact O-CD1 3.34Å; L989-I993 WeakPolarHBondContact O-CG1 3.41Å; Y990-I993 PolarHBondContact O-N 3.14Å; I991-I993 VanDerWaalsContact C-N 3.26Å; I991-I993 PolarHBondContact O-N 2.98Å; I993-A995 PolarHBondContact O-N 3.49Å; I993-E996 PolarHBondContact O-N 3.37Å
994E37.6Very low40.2Very low102 Ų10291.7 Ų91.748%0.47751%0.511SS..Hα-helixtrans-62.2-20.7175.6-90.6-168142.600113.6Y990 E996Y990-E994 HydrophobicContact CD1-CG 4.06Å; Y990-E994 HydrophobicContact CE1-CG 3.65Å; Y990-E994 VanDerWaalsContact CE1-OE1 3.24Å; Y990-E994 WeakPolarHBondContact CE1-OE1 3.39Å; Y990-E994 PolarHBondContact O-N 2.75Å; E994-E996 PolarHBondContact O-N 3.2Å
995A37.6Very low38.8Very low91 Ų9194.9 Ų94.975%0.75252%0.524SS*.THydrogen-bonded Turntrans-63.9-15.2174.800000114.1I993I993-A995 PolarHBondContact O-N 3.49Å
996E39.6Very low37.6Very low177 Ų17799 Ų9983%0.82754%0.544SS*.THydrogen-bonded Turntrans-115.8-11.2-179.4-81.3-170.7152.900115.5I993 E994I993-E996 PolarHBondContact O-N 3.37Å; E994-E996 PolarHBondContact O-N 3.2Å
997I33.5Very low36.8Very low67 Ų6798.4 Ų98.434%0.34454%0.544SS..  trans-142.482.3-168.4-50.7-179.7000111.9M140 S999M140-I997 HydrophobicContact CE-CD1 3.68Å; M140-I997 HydrophobicContact SD-CD1 4.06Å; I997-S999 PolarHBondContact O-N 2.95Å
998I30.5Very low36.5Very low163 Ų16396.7 Ų96.784%0.83653%0.532SS*.  trans-81.6107.2158.8-62173.5000107.8
999S27.6Very low35.5Very low81 Ų8193.6 Ų93.657%0.56652%0.52SS*.  156.2134.4129.159.10000114.9I997I997-S999 PolarHBondContact O-N 2.95Å
1000L25.5Very low34.7Very low162 Ų16295.1 Ų95.185%0.84853%0.526SS*.  trans91.8105.7151.4-63.4151.6000119.2
1001S25Very low34.3Very low107 Ų10791.1 Ų91.175%0.74851%0.511SS*.  trans-97.3154.4163.652.50000112
1002V23.3Very low34.1Very low124 Ų12485.9 Ų85.975%0.75248%0.484SS*.  153122.3124.6172.60000113.6
1003E23.9Very low33.9Very low118 Ų11885 Ų8555%0.55148%0.476SS*.  trans9.3119.5142.3-59.3173.2159.800123.4K128K128-E1003 IonicContact NZ-OE1 3.6Å; K128-E1003 PolarHBondContact NZ-OE1 2.66Å
1004T28.7Very low33.6Very low116 Ų11684.6 Ų84.671%0.71247%0.474SS*.  20.2153.9126.761.50000126
1005T24Very low33.5Very low122 Ų12280.2 Ų80.275%0.74845%0.454SS*.  174146.3120.339.30000116.9
1006E29.1Very low33.3Very low136 Ų13679.3 Ų79.364%0.63643%0.434SS*.  trans171.2176.2140.1-88.7-179.7-172.100117.4Q97Q97-E1006 HydrophobicContact CG-CB 3.63Å
1007S34.6Very low33.2Very low31 Ų3173.4 Ų73.422%0.21741%0.405CS..  -125100.1-129.11640000129.8Q97 F919Q97-S1007 VanDerWaalsContact NE2-N 3.2Å; Q97-S1007 PolarHBondContact NE2-O 3.17Å; Q97-S1007 VanDerWaalsContact OE1-CA 3.24Å; Q97-S1007 PolarHBondContact OE1-O 2.92Å; F919-S1007 WeakPolarHBondContact CE1-OG 3.4Å; F919-S1007 WeakPolarHBondContact CZ-OG 3.17Å
1008V43.1Very low33.4Very low3 Ų371.1 Ų71.12%0.01839%0.392CS..  trans-111.9102-169.8175.50000116.5F915 L921 Q1011F915-V1008 HydrophobicContact CE1-CB 4.38Å; F915-V1008 HydrophobicContact CE2-CB 3.39Å; F915-V1008 HydrophobicContact CE2-CG1 4.49Å; F915-V1008 HydrophobicContact CE2-CG2 3.4Å; F915-V1008 HydrophobicContact CZ-CB 3.29Å; F915-V1008 HydrophobicContact CZ-CG1 3.97Å; F915-V1008 HydrophobicContact CZ-CG2 3.66Å; L921-V1008 WeakPolarHBondContact CD1-O 3.28Å; V1008-Q1011 HydrophobicContact CG1-CB 3.41Å; V1008-Q1011 VanDerWaalsContact CG1-CB 3.41Å; V1008-Q1011 HydrophobicContact CG1-CG 3.4Å; V1008-Q1011 VanDerWaalsContact CG1-CG 3.4Å
1009V36Very low33.5Very low35 Ų3566.3 Ų66.321%0.21237%0.367CS..SBendtrans-94.1-34.8177.5-178.80000113.7F919 Q1011F919-V1009 HydrophobicContact CB-CG2 3.75Å; F919-V1009 HydrophobicContact CD1-CG2 3.18Å; F919-V1009 HydrophobicContact CE1-CG2 4.15Å; F919-V1009 HydrophobicContact CG-CG2 3.65Å; V1009-Q1011 VanDerWaalsContact C-N 3.34Å; V1009-Q1011 PolarHBondContact O-N 3.34Å
1010Q39.3Very low33.9Very low50 Ų5063.4 Ų63.423%0.23435%0.346CS..THydrogen-bonded Turntrans-83.1-11.8-163.8-149.1-155.9-16.500114.7D380 Q1012D380-Q1010 PolarHBondContact OD1-OE1 3.07Å; D380-Q1010 PolarHBondContact OD2-NE2 3.21Å; D380-Q1010 PolarHBondContact OD2-OE1 3.41Å; Q1010-Q1012 PolarHBondContact O-N 3.08Å
1011Q43.6Very low34.1Very low17 Ų1757.1 Ų57.18%0.07931%0.312CS..THydrogen-bonded Turntrans-82.9-13.1-168-75.6-172.62.900113.5D96 R417 P818 V1008 V1009D96-Q1011 PolarHBondContact OD2-NE2 2.86Å; R417-Q1011 PolarHBondContact NH1-O 3.49Å; R417-Q1011 VanDerWaalsContact NH2-C 3.34Å; R417-Q1011 PolarHBondContact NH2-O 2.94Å; P818-Q1011 HydrophobicContact CB-CB 3.51Å; P818-Q1011 HydrophobicContact CB-CG 3.66Å; P818-Q1011 HydrophobicContact CG-CB 3.32Å; P818-Q1011 HydrophobicContact CG-CG 3.49Å; P818-Q1011 VanDerWaalsContact CG-CG 3.49Å; P818-Q1011 WeakPolarHBondContact CG-O 3.44Å; V1008-Q1011 HydrophobicContact CG1-CB 3.41Å; V1008-Q1011 VanDerWaalsContact CG1-CB 3.41Å; V1008-Q1011 HydrophobicContact CG1-CG 3.4Å; V1008-Q1011 VanDerWaalsContact CG1-CG 3.4Å; V1009-Q1011 VanDerWaalsContact C-N 3.34Å; V1009-Q1011 PolarHBondContact O-N 3.34Å
1012Q42.2Very low34.6Very low3 Ų354.6 Ų54.61%0.01429%0.29CS..THydrogen-bonded Turntrans-118.9-24.5-168.6-63.6179.90.800114.9F820 Y859 L921 Q1010F820-Q1012 VanDerWaalsContact CD2-NE2 3.33Å; Y859-Q1012 HydrophobicContact CD1-CB 4.27Å; Y859-Q1012 HydrophobicContact CD1-CG 4.12Å; Y859-Q1012 HydrophobicContact CE1-CB 4.49Å; Y859-Q1012 HydrophobicContact CE1-CG 4.17Å; L921-Q1012 HydrophobicContact CD2-CB 4.3Å; Q1010-Q1012 PolarHBondContact O-N 3.08Å
1013L42.1Very low35.2Very low34 Ų3450.9 Ų50.918%0.17827%0.266CS..  trans-132.3125.5-172.6-62.1161.1000109.5P858 L921P858-L1013 WeakPolarHBondContact O-CD2 3.43Å; L921-L1013 HydrophobicContact CD2-CD1 3.69Å; L921-L1013 HydrophobicContact CD2-CG 4.44Å
1014D38.1Very low35.8Very low37 Ų3747.2 Ų47.220%0.19825%0.25CS..  trans-134.6120.7162.6-160.817.7000107.3N416 R715N416-D1014 HydrophobicContact CB-CB 4.46Å; N416-D1014 WeakPolarHBondContact CB-OD2 3.41Å; N416-D1014 VanDerWaalsContact O-OD2 3.09Å; R715-D1014 IonicContact NH2-OD1 3.54Å; R715-D1014 PolarHBondContact NH2-OD1 2.81Å
1015P36.6Very low36.2Very low10 Ų1043.2 Ų43.27%0.06522%0.223CC..  trans-79.6147-175.327.7-33.8000114.1I713 W1017I713-P1015 HydrophobicContact CB-CG 4.1Å; I713-P1015 HydrophobicContact CD1-CB 3.41Å; I713-P1015 VanDerWaalsContact CD1-CB 3.41Å; I713-P1015 HydrophobicContact CD1-CG 3.64Å; I713-P1015 HydrophobicContact CG1-CG 4.49Å; I713-P1015 HydrophobicContact CG2-CG 3.89Å; P1015-W1017 VanDerWaalsContact CB-CD1 3.42Å; P1015-W1017 HydrophobicContact CB-CG 4.26Å; P1015-W1017 VanDerWaalsContact CG-CD1 3.47Å; P1015-W1017 HydrophobicContact CG-CD2 4.45Å; P1015-W1017 HydrophobicContact CG-CG 4.28Å; P1015-W1017 HydrophobicContact CG-CZ2 4.44Å; P1015-W1017 PolarHBondContact O-N 3.46Å
1016E33.6Very low37Very low73 Ų7338.3 Ų38.334%0.34119%0.19SC..G310 helixtrans-64.1-10.9175.1-85.1-173.5155.900114.1K886 E892 R1018 N1019K886-E1016 IonicContact NZ-OE1 3.83Å; K886-E1016 IonicContact NZ-OE2 2.65Å; E892-E1016 HydrophobicContact CG-CG 3.99Å; E1016-R1018 PolarHBondContact O-N 2.92Å; E1016-N1019 WeakPolarHBondContact O-CA 3.41Å; E1016-N1019 VanDerWaalsContact O-CB 3.27Å; E1016-N1019 WeakPolarHBondContact O-CB 3.27Å; E1016-N1019 PolarHBondContact O-N 2.93Å
1017W37.3Very low37.5Very low53 Ų5331.7 Ų31.720%0.20116%0.161CC..G310 helixtrans-62.4-18.8-174.959.2-111.4000114.2P1015 N1019 D1020 M1021P1015-W1017 VanDerWaalsContact CB-CD1 3.42Å; P1015-W1017 HydrophobicContact CB-CG 4.26Å; P1015-W1017 VanDerWaalsContact CG-CD1 3.47Å; P1015-W1017 HydrophobicContact CG-CD2 4.45Å; P1015-W1017 HydrophobicContact CG-CG 4.28Å; P1015-W1017 HydrophobicContact CG-CZ2 4.44Å; P1015-W1017 PolarHBondContact O-N 3.46Å; W1017-N1019 VanDerWaalsContact C-N 3.32Å; W1017-D1020 CarbonylContact O-C 3.58Å; W1017-D1020 WeakPolarHBondContact O-CA 3.39Å; W1017-D1020 WeakPolarHBondContact O-CB 3.45Å; W1017-D1020 PolarHBondContact O-N 2.83Å; W1017-M1021 HydrophobicContact CE3-CE 3.27Å; W1017-M1021 HydrophobicContact CE3-CG 4.22Å; W1017-M1021 HydrophobicContact CH2-CE 4.15Å; W1017-M1021 HydrophobicContact CZ3-CE 3.07Å; W1017-M1021 VanDerWaalsContact O-CG 3.27Å; W1017-M1021 WeakPolarHBondContact O-CG 3.3Å; W1017-M1021 PolarHBondContact O-N 3.48Å
1018R37.1Very low37.7Very low19 Ų1931.8 Ų31.87%0.07216%0.157CC..G310 helixtrans-63.9-35.8167.9-91.1-174.7175.3-171.8-4.6112.6S419 L421 R715 E1016 D1020 M1021S419-R1018 WeakPolarHBondContact OG-CD 3.47Å; S419-R1018 PolarHBondContact OG-NH1 2.79Å; L421-R1018 HydrophobicContact CD1-CB 3.99Å; L421-R1018 WeakPolarHBondContact CD1-O 3.41Å; L421-R1018 HydrophobicContact CD2-CB 4.27Å; L421-R1018 HydrophobicContact CG-CB 4.48Å; R715-R1018 VanDerWaalsContact NH1-NH2 3.11Å; R715-R1018 VanDerWaalsContact NH2-CZ 3.31Å; R715-R1018 VanDerWaalsContact NH2-NH1 3.19Å; E1016-R1018 PolarHBondContact O-N 2.92Å; R1018-D1020 PolarHBondContact O-N 2.95Å; R1018-M1021 PolarHBondContact O-N 3.27Å
1019N33.2Very low37.3Very low61 Ų6134 Ų3433%0.32617%0.167SC..G310 helixtrans-68.3-11.9170.8-64.5-29000113L421 R609 E1016 W1017L421-N1019 WeakPolarHBondContact CD2-OD1 3.37Å; R609-N1019 PolarHBondContact NH1-O 3.02Å; E1016-N1019 WeakPolarHBondContact O-CA 3.41Å; E1016-N1019 VanDerWaalsContact O-CB 3.27Å; E1016-N1019 WeakPolarHBondContact O-CB 3.27Å; E1016-N1019 PolarHBondContact O-N 2.93Å; W1017-N1019 VanDerWaalsContact C-N 3.32Å
1020D35.9Very low37.4Very low20 Ų2033.9 Ų33.911%0.10716%0.164CC..G310 helixtrans-104.1-0.1-178.6-82.8-10.7000114.9S581 N582 R609 W1017 R1018S581-D1020 WeakPolarHBondContact CB-OD2 3.25Å; N582-D1020 HydrophobicContact CB-CB 4.36Å; N582-D1020 PolarHBondContact N-OD2 3.02Å; N582-D1020 WeakPolarHBondContact ND2-CA 3.41Å; N582-D1020 WeakPolarHBondContact ND2-CB 3.2Å; N582-D1020 PolarHBondContact ND2-O 2.92Å; N582-D1020 PolarHBondContact ND2-OD1 3.44Å; R609-D1020 IonicContact CZ-OD1 3.33Å; R609-D1020 IonicContact NH1-OD1 2.73Å; R609-D1020 PolarHBondContact NH1-OD1 2.97Å; R609-D1020 IonicContact NH2-OD1 3.56Å; W1017-D1020 CarbonylContact O-C 3.58Å; W1017-D1020 WeakPolarHBondContact O-CA 3.39Å; W1017-D1020 WeakPolarHBondContact O-CB 3.45Å; W1017-D1020 PolarHBondContact O-N 2.83Å; R1018-D1020 PolarHBondContact O-N 2.95Å
1021M30Very low37.2Very low30 Ų3032.5 Ų32.515%0.14816%0.157CC..  trans-89.40-178.6-76.6-115-141.100115.1T478 A606 S608 L648 W1017 R1018T478-M1021 HydrophobicContact CG2-CE 3.64Å; T478-M1021 HydrophobicContact CG2-CG 4.49Å; T478-M1021 HydrophobicContact CG2-SD 3.17Å; T478-M1021 WeakPolarHBondContact CG2-SD 3.17Å; A606-M1021 WeakPolarHBondContact CB-O 3.29Å; A606-M1021 WeakPolarHBondContact CB-OXT 3.32Å; S608-M1021 VanDerWaalsContact CB-O 3.27Å; S608-M1021 WeakPolarHBondContact CB-O 3.48Å; S608-M1021 PolarHBondContact OG-O 3.28Å; L648-M1021 HydrophobicContact CB-SD 4.06Å; L648-M1021 HydrophobicContact CD1-CE 3.23Å; L648-M1021 HydrophobicContact CD1-SD 3.09Å; L648-M1021 WeakPolarHBondContact CD1-SD 3.29Å; L648-M1021 HydrophobicContact CG-SD 4.16Å; W1017-M1021 HydrophobicContact CE3-CE 3.27Å; W1017-M1021 HydrophobicContact CE3-CG 4.22Å; W1017-M1021 HydrophobicContact CH2-CE 4.15Å; W1017-M1021 HydrophobicContact CZ3-CE 3.07Å; W1017-M1021 VanDerWaalsContact O-CG 3.27Å; W1017-M1021 WeakPolarHBondContact O-CG 3.3Å; W1017-M1021 PolarHBondContact O-N 3.48Å; R1018-M1021 PolarHBondContact O-N 3.27Å

Retrieved 1,021 of 1,021 residues in 256.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).