G4VND1_SCHMA Loading...

Putative merlin/moesin/ezrin/radixin

AlphaFold DB , UniProt , Accession G4VND1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 543 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.3Low84.2Confident230 Ų23070.6 Ų70.6100%1.13337%0.373SS*.  0137.70-66.6-166.7-109.900110.2K3M1-K3 PolarHBondContact O-N 2.9Å
2P65.8Low84.2Confident95 Ų9571.3 Ų71.362%0.61737%0.371SS*.PPolyproline II helixtrans-65.3123.6174.916.8-15.7000109.7L4P2-L4 PolarHBondContact O-N 3.31Å; P2-L4 VanDerWaalsContact O-N 3.15Å
3K82.2Confident84.1Confident160 Ų16072.8 Ų72.870%0.69638%0.379SS*.PPolyproline II helixtrans-59.3117.9177.7-67.8-175.4178.1-176.10109.6M1 R22M1-K3 PolarHBondContact O-N 2.9Å; K3-R22 HydrophobicContact CB-CG 4.15Å; K3-R22 WeakPolarHBondContact O-CG 3.49Å; K3-R22 PolarHBondContact O-N 3.28Å
4L88.5Confident84.3Confident99 Ų9970.4 Ų70.452%0.51838%0.375SS..EExtended strand (participates in β ladder)trans-90.6156.7174.2-63.4171.8000109.8P2 T19 L20 K21P2-L4 PolarHBondContact O-N 3.31Å; P2-L4 VanDerWaalsContact O-N 3.15Å; L4-T19 HydrophobicContact CB-CG2 3.57Å; L4-T19 HydrophobicContact CD1-CG2 3.66Å; L4-T19 HydrophobicContact CD2-CG2 4.25Å; L4-T19 HydrophobicContact CG-CG2 4Å; L4-L20 CarbonylContact C-O 3.59Å; L4-L20 WeakPolarHBondContact CA-O 3.39Å; L4-K21 HydrophobicContact CD2-CG 4.04Å
5V88.8Confident84.9Confident5 Ų573.8 Ų73.83%0.0339%0.388CS..EExtended strand (participates in β ladder)trans-129.5128.6177.7-177.40000108L20 R22 T66 L76V5-L20 PolarHBondContact N-O 3.26Å; V5-L20 PolarHBondContact O-N 3.33Å; V5-L20 VanDerWaalsContact O-N 3.07Å; V5-R22 HydrophobicContact CG2-CB 4.31Å; V5-R22 HydrophobicContact CG2-CG 3.32Å; V5-T66 HydrophobicContact CG2-CG2 3.99Å; V5-L76 HydrophobicContact CG1-CD1 3.86Å; V5-L76 HydrophobicContact CG1-CG 3.85Å
6P91.7Very high85.4Confident67 Ų6771.4 Ų71.444%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-70.4137170.727.1-28.7000110.1P75 L76P6-P75 HydrophobicContact CB-CB 4.33Å; P6-P75 HydrophobicContact CG-CB 4.09Å; P6-P75 WeakPolarHBondContact O-CA 3.44Å; P6-L76 PolarHBondContact O-N 3.13Å
7V92.4Very high85.9Confident1 Ų173.5 Ų73.51%0.00639%0.387CS..EExtended strand (participates in β ladder)trans-133.2119.3-179.2-175.60000108.2V9 F18 L20 L29 I65 L76 F78V7-V9 HydrophobicContact CG1-CG2 4.01Å; V7-F18 HydrophobicContact CB-CB 4.39Å; V7-F18 PolarHBondContact N-O 3.32Å; V7-F18 PolarHBondContact O-N 3.37Å; V7-L20 HydrophobicContact CG2-CB 4.48Å; V7-L20 HydrophobicContact CG2-CD1 4.33Å; V7-L29 HydrophobicContact CG1-CD1 4.04Å; V7-L29 HydrophobicContact CG1-CD2 3.82Å; V7-I65 HydrophobicContact CG2-CD1 3.84Å; V7-L76 CarbonylContact C-O 3.59Å; V7-L76 WeakPolarHBondContact CA-O 3.42Å; V7-L76 HydrophobicContact CG1-CB 4.33Å; V7-L76 HydrophobicContact CG2-CB 4.28Å; V7-L76 HydrophobicContact CG2-CD1 4.34Å; V7-F78 HydrophobicContact CG1-CD2 3.63Å; V7-F78 HydrophobicContact CG1-CE2 3.84Å
8S93.4Very high86.3Confident19 Ų1971.2 Ų71.213%0.13337%0.374CS..EExtended strand (participates in β ladder)trans-101.6126.8173.3-61.20000108.7D17 L76 H77 F78S8-D17 VanDerWaalsContact CB-OD1 3.27Å; S8-D17 WeakPolarHBondContact CB-OD1 3.45Å; S8-D17 PolarHBondContact OG-OD1 3.4Å; S8-L76 PolarHBondContact N-O 2.81Å; S8-H77 WeakPolarHBondContact O-CA 3.23Å; S8-F78 PolarHBondContact O-N 3.37Å
9V93.1Very high86.6Confident0 Ų072.3 Ų72.30%038%0.383CS..EExtended strand (participates in β ladder)trans-117.2115.6-179.7-174.50000108.5V7 L16 F18 L29 V33 F78 V80V7-V9 HydrophobicContact CG1-CG2 4.01Å; V9-L16 HydrophobicContact CB-CB 4.49Å; V9-L16 PolarHBondContact N-O 2.87Å; V9-L16 PolarHBondContact O-N 2.82Å; V9-F18 HydrophobicContact CB-CE2 4.15Å; V9-F18 HydrophobicContact CG2-CD2 3.86Å; V9-F18 HydrophobicContact CG2-CE2 3.88Å; V9-L29 HydrophobicContact CG2-CD1 4.04Å; V9-V33 HydrophobicContact CB-CG2 4.21Å; V9-V33 HydrophobicContact CG1-CG1 4.19Å; V9-V33 HydrophobicContact CG1-CG2 3.97Å; V9-V33 HydrophobicContact CG2-CG2 3.86Å; V9-F78 CarbonylContact C-O 3.44Å; V9-F78 VanDerWaalsContact CA-O 3.27Å; V9-F78 WeakPolarHBondContact CA-O 3.48Å; V9-F78 HydrophobicContact CG2-CB 4.42Å; V9-V80 HydrophobicContact CG1-CG2 3.36Å
10L92.6Very high86.8Confident90 Ų9069.3 Ų69.347%0.47137%0.367SS..EExtended strand (participates in β ladder)trans-83.4128.8174.3-173.963.5000109.1F78 D79 V80L10-F78 PolarHBondContact N-O 3.32Å; L10-D79 WeakPolarHBondContact CB-OD1 3.37Å; L10-D79 WeakPolarHBondContact O-CA 3.47Å; L10-V80 PolarHBondContact O-N 2.83Å; L10-V80 VanDerWaalsContact O-N 3.15Å
11T88Confident87Confident11 Ų1171.2 Ų71.27%0.06737%0.373CS..  trans-118.1-179.8170.678.10000107.8D13 A14 L16 L37 V80T11-D13 PolarHBondContact OG1-OD1 2.73Å; T11-A14 CarbonylContact C-O 3.59Å; T11-A14 WeakPolarHBondContact CA-O 2.95Å; T11-A14 WeakPolarHBondContact CB-O 3.27Å; T11-A14 PolarHBondContact N-O 3.28Å; T11-A14 WeakPolarHBondContact OG1-CA 3.23Å; T11-A14 PolarHBondContact OG1-N 2.65Å; T11-A14 PolarHBondContact OG1-O 3.11Å; T11-L16 HydrophobicContact CG2-CD1 4.06Å; T11-L16 HydrophobicContact CG2-CG 4.3Å; T11-L37 HydrophobicContact CG2-CD1 3.88Å; T11-L37 HydrophobicContact CG2-CD2 4.28Å; T11-V80 HydrophobicContact CG2-CG2 4.47Å
12K84.2Confident88.7Confident79 Ų7964.7 Ų64.734%0.34334%0.335SS..SBendtrans-76.4-27.6-173.7-67.7-69.6-179.1-170.20113.8K81 Y104 D105 D108K12-K81 VanDerWaalsContact CE-NZ 3.32Å; K12-K81 VanDerWaalsContact NZ-NZ 3.18Å; K12-Y104 HydrophobicContact CB-CD2 3.65Å; K12-Y104 HydrophobicContact CB-CE2 4.33Å; K12-Y104 HydrophobicContact CB-CG 3.81Å; K12-Y104 HydrophobicContact CG-CD2 4.3Å; K12-Y104 HydrophobicContact CG-CG 4.23Å; K12-D105 WeakPolarHBondContact CE-OD1 3.35Å; K12-D105 IonicContact NZ-OD1 2.84Å; K12-D108 WeakPolarHBondContact CD-OD2 3.33Å; K12-D108 WeakPolarHBondContact CE-OD2 3.48Å; K12-D108 IonicContact NZ-OD2 3.61Å; K12-D108 PolarHBondContact NZ-OD2 3.22Å
13D82.9Confident89.8Confident90 Ų9067.3 Ų67.348%0.48134%0.337SS..SBendtrans-121.2-10.9-176.253.6-12.5000113.2T11 Y101 Y104T11-D13 PolarHBondContact OG1-OD1 2.73Å; D13-Y101 PolarHBondContact OD1-OH 3.33Å; D13-Y101 PolarHBondContact OD2-OH 3.41Å; D13-Y104 HydrophobicContact CB-CE2 4.45Å
14A86.9Confident90.3Very high39 Ų3959.9 Ų59.932%0.32231%0.306SS..  trans-145.9156.2179.200000113.5T11 L16T11-A14 CarbonylContact C-O 3.59Å; T11-A14 WeakPolarHBondContact CA-O 2.95Å; T11-A14 WeakPolarHBondContact CB-O 3.27Å; T11-A14 PolarHBondContact N-O 3.28Å; T11-A14 WeakPolarHBondContact OG1-CA 3.23Å; T11-A14 PolarHBondContact OG1-N 2.65Å; T11-A14 PolarHBondContact OG1-O 3.11Å; A14-L16 HydrophobicContact CB-CD2 4.31Å
15Q92.5Very high90.5Very high122 Ų12256.3 Ų56.357%0.5729%0.289SS*.EExtended strand (participates in β ladder)trans-103.2129.3159.5-178.7178.7-46.100108.2
16L93.6Very high90.5Very high35 Ų3556.2 Ų56.218%0.18329%0.289CS..EExtended strand (participates in β ladder)trans-114.9123-179-59.2178.8000110.3V9 T11 A14 F18 V33 A36 L37V9-L16 HydrophobicContact CB-CB 4.49Å; V9-L16 PolarHBondContact N-O 2.87Å; V9-L16 PolarHBondContact O-N 2.82Å; T11-L16 HydrophobicContact CG2-CD1 4.06Å; T11-L16 HydrophobicContact CG2-CG 4.3Å; A14-L16 HydrophobicContact CB-CD2 4.31Å; L16-F18 HydrophobicContact CB-CD2 4.33Å; L16-F18 HydrophobicContact CB-CE2 3.43Å; L16-F18 VanDerWaalsContact CB-CE2 3.43Å; L16-F18 HydrophobicContact CB-CZ 3.82Å; L16-F18 HydrophobicContact CD1-CE2 4.2Å; L16-F18 HydrophobicContact CD1-CZ 3.97Å; L16-F18 HydrophobicContact CG-CE2 4.49Å; L16-V33 HydrophobicContact CD1-CG1 4.05Å; L16-A36 HydrophobicContact CD1-CB 4.24Å; L16-L37 HydrophobicContact CD1-CD2 3.68Å; L16-L37 HydrophobicContact CD1-CG 3.91Å
17D94.1Very high90.5Very high107 Ų10755.3 Ų55.357%0.57229%0.287SS*.EExtended strand (participates in β ladder)trans-103.4127.9177.9-63.8-54.7000111S8S8-D17 VanDerWaalsContact CB-OD1 3.27Å; S8-D17 WeakPolarHBondContact CB-OD1 3.45Å; S8-D17 PolarHBondContact OG-OD1 3.4Å
18F92.7Very high90.5Very high33 Ų3360.4 Ų60.415%0.14531%0.311CS..EExtended strand (participates in β ladder)trans-123.5151.5-179.5-58.8-87.9000111.1V7 V9 L16 L29 K32 V33 A36V7-F18 HydrophobicContact CB-CB 4.39Å; V7-F18 PolarHBondContact N-O 3.32Å; V7-F18 PolarHBondContact O-N 3.37Å; V9-F18 HydrophobicContact CB-CE2 4.15Å; V9-F18 HydrophobicContact CG2-CD2 3.86Å; V9-F18 HydrophobicContact CG2-CE2 3.88Å; L16-F18 HydrophobicContact CB-CD2 4.33Å; L16-F18 HydrophobicContact CB-CE2 3.43Å; L16-F18 VanDerWaalsContact CB-CE2 3.43Å; L16-F18 HydrophobicContact CB-CZ 3.82Å; L16-F18 HydrophobicContact CD1-CE2 4.2Å; L16-F18 HydrophobicContact CD1-CZ 3.97Å; L16-F18 HydrophobicContact CG-CE2 4.49Å; F18-L29 HydrophobicContact CD2-CD1 4.34Å; F18-K32 HydrophobicContact CD1-CB 4.49Å; F18-K32 HydrophobicContact CD1-CD 4.47Å; F18-K32 HydrophobicContact CE1-CB 4.25Å; F18-V33 HydrophobicContact CD2-CG2 4.39Å; F18-V33 HydrophobicContact CE2-CG2 3.57Å; F18-V33 HydrophobicContact CZ-CB 4.38Å; F18-V33 HydrophobicContact CZ-CG2 3.78Å; F18-A36 HydrophobicContact CE1-CB 4.32Å; F18-A36 HydrophobicContact CZ-CB 4.18Å
19T91.9Very high90.5Very high91 Ų9159.5 Ų59.556%0.55831%0.305SS*.EExtended strand (participates in β ladder)trans-115.6116.6167.4-61.30000109.4L4L4-T19 HydrophobicContact CB-CG2 3.57Å; L4-T19 HydrophobicContact CD1-CG2 3.66Å; L4-T19 HydrophobicContact CD2-CG2 4.25Å; L4-T19 HydrophobicContact CG-CG2 4Å
20L90.7Very high90.4Very high12 Ų1260.7 Ų60.76%0.06331%0.312CS..EExtended strand (participates in β ladder)trans-124.3153.6-174.1-77.7171.6000112.2L4 V5 V7 A24 L29 K32 I65L4-L20 CarbonylContact C-O 3.59Å; L4-L20 WeakPolarHBondContact CA-O 3.39Å; V5-L20 PolarHBondContact N-O 3.26Å; V5-L20 PolarHBondContact O-N 3.33Å; V5-L20 VanDerWaalsContact O-N 3.07Å; V7-L20 HydrophobicContact CG2-CB 4.48Å; V7-L20 HydrophobicContact CG2-CD1 4.33Å; L20-A24 HydrophobicContact CB-CB 4.08Å; L20-A24 HydrophobicContact CD1-CB 4.4Å; L20-A24 HydrophobicContact CD2-CB 4.34Å; L20-L29 HydrophobicContact CD1-CB 4.13Å; L20-L29 HydrophobicContact CD1-CD1 3.63Å; L20-L29 HydrophobicContact CD1-CG 4.36Å; L20-K32 HydrophobicContact CD2-CD 3.87Å; L20-I65 HydrophobicContact CB-CD1 3.97Å; L20-I65 HydrophobicContact CD1-CD1 3.96Å
21K90.7Very high90.5Very high110 Ų11058.7 Ų58.748%0.47831%0.305SS..EExtended strand (participates in β ladder)trans-64.3142.3172.3-64.2178.5-178.6173.90109.1L4 K23 A24L4-K21 HydrophobicContact CD2-CG 4.04Å; K21-K23 HydrophobicContact CB-CG 4.17Å; K21-K23 PolarHBondContact O-N 2.85Å; K21-A24 WeakPolarHBondContact O-CB 3.44Å; K21-A24 PolarHBondContact O-N 3.32Å
22R86.6Confident90.8Very high93 Ų9363 Ų6335%0.35132%0.323SS..THydrogen-bonded Turntrans-51.1-26.2175.4-78.3-177.383.4100.5-2.6115.1K3 V5 T66K3-R22 HydrophobicContact CB-CG 4.15Å; K3-R22 WeakPolarHBondContact O-CG 3.49Å; K3-R22 PolarHBondContact O-N 3.28Å; V5-R22 HydrophobicContact CG2-CB 4.31Å; V5-R22 HydrophobicContact CG2-CG 3.32Å; R22-T66 HydrophobicContact CB-CG2 4.23Å; R22-T66 HydrophobicContact CG-CG2 4.25Å; R22-T66 WeakPolarHBondContact O-CG2 3.32Å; R22-T66 PolarHBondContact O-OG1 3.19Å
23K89.4Confident91.2Very high151 Ų15159.3 Ų59.366%0.65731%0.307SS*.THydrogen-bonded Turntrans-85.3-2.6178.569.6175.6-177.8175.50114.4K21K21-K23 HydrophobicContact CB-CG 4.17Å; K21-K23 PolarHBondContact O-N 2.85Å
24A91.2Very high91.7Very high4 Ų455 Ų553%0.03328%0.284CS..  trans-60.7137.6-178.100000110.7L20 K21 Q28 K64 I65L20-A24 HydrophobicContact CB-CB 4.08Å; L20-A24 HydrophobicContact CD1-CB 4.4Å; L20-A24 HydrophobicContact CD2-CB 4.34Å; K21-A24 WeakPolarHBondContact O-CB 3.44Å; K21-A24 PolarHBondContact O-N 3.32Å; A24-Q28 VanDerWaalsContact CA-OE1 3.22Å; A24-K64 CarbonylContact O-C 3.6Å; A24-K64 VanDerWaalsContact O-CA 3.31Å; A24-K64 WeakPolarHBondContact O-CA 3.47Å; A24-I65 HydrophobicContact CB-CD1 4Å; A24-I65 HydrophobicContact CB-CG1 4.38Å; A24-I65 PolarHBondContact O-N 3.25Å
25S92.6Very high92.1Very high24 Ų2458 Ų5817%0.16830%0.298CS..BIsolated β-bridgetrans-86.5162.5177.168.20000111.7A27 Q28 L29 A61 K63S25-A27 PolarHBondContact O-N 3.02Å; S25-Q28 PolarHBondContact O-N 3.2Å; S25-Q28 WeakPolarHBondContact OG-CG 3.47Å; S25-Q28 PolarHBondContact OG-N 3.32Å; S25-L29 PolarHBondContact O-N 3.26Å; S25-L29 VanDerWaalsContact O-N 3.15Å; S25-A61 WeakPolarHBondContact CB-O 3.48Å; S25-K63 CarbonylContact C-O 3.53Å; S25-K63 WeakPolarHBondContact CA-O 3.47Å
26G89.9Confident92.2Very high3 Ų355.1 Ų55.13%0.03130%0.295CS..Hα-helixtrans-56.7-38.3170.700000112.5Q28 L29 V30 A61 K63G26-Q28 VanDerWaalsContact C-N 3.33Å; G26-Q28 PolarHBondContact O-N 2.84Å; G26-L29 PolarHBondContact O-N 2.97Å; G26-V30 WeakPolarHBondContact O-CG2 3.38Å; G26-V30 PolarHBondContact O-N 3.14Å; G26-A61 PolarHBondContact N-O 3.12Å; G26-K63 PolarHBondContact N-O 3.34Å
27A91Very high92.2Very high48 Ų4854.7 Ų54.740%0.39729%0.293SS..Hα-helixtrans-60.4-41.7176.700000112.3S25 L29 V30 S31 A61S25-A27 PolarHBondContact O-N 3.02Å; A27-L29 VanDerWaalsContact C-N 3.35Å; A27-V30 PolarHBondContact O-N 3.02Å; A27-S31 WeakPolarHBondContact O-CB 3.31Å; A27-S31 PolarHBondContact O-N 3.24Å; A27-A61 HydrophobicContact CB-CB 4.07Å; A27-A61 WeakPolarHBondContact CB-O 3.33Å; A27-A61 PolarHBondContact N-O 2.82Å
28Q92.8Very high92.1Very high108 Ų10851.4 Ų51.451%0.50529%0.285SS..Hα-helixtrans-66.2-38.6176.6-72.2174.7-39.400111.8A24 S25 G26 K32A24-Q28 VanDerWaalsContact CA-OE1 3.22Å; S25-Q28 PolarHBondContact O-N 3.2Å; S25-Q28 WeakPolarHBondContact OG-CG 3.47Å; S25-Q28 PolarHBondContact OG-N 3.32Å; G26-Q28 VanDerWaalsContact C-N 3.33Å; G26-Q28 PolarHBondContact O-N 2.84Å; Q28-K32 WeakPolarHBondContact O-CG 3.44Å; Q28-K32 PolarHBondContact O-N 3.24Å
29L92.9Very high92.2Very high0 Ų050 Ų500%028%0.279CS..Hα-helixtrans-67.2-46.6176.1177.857.7000111.4V7 V9 F18 L20 S25 G26 A27 S31 K32 V33 L47 I65 F78V7-L29 HydrophobicContact CG1-CD1 4.04Å; V7-L29 HydrophobicContact CG1-CD2 3.82Å; V9-L29 HydrophobicContact CG2-CD1 4.04Å; F18-L29 HydrophobicContact CD2-CD1 4.34Å; L20-L29 HydrophobicContact CD1-CB 4.13Å; L20-L29 HydrophobicContact CD1-CD1 3.63Å; L20-L29 HydrophobicContact CD1-CG 4.36Å; S25-L29 PolarHBondContact O-N 3.26Å; S25-L29 VanDerWaalsContact O-N 3.15Å; G26-L29 PolarHBondContact O-N 2.97Å; A27-L29 VanDerWaalsContact C-N 3.35Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.98Å; L29-K32 PolarHBondContact O-N 2.78Å; L29-V33 HydrophobicContact CD1-CG2 3.94Å; L29-V33 HydrophobicContact CG-CG2 4.41Å; L29-V33 VanDerWaalsContact O-CG2 3.26Å; L29-V33 WeakPolarHBondContact O-CG2 3.47Å; L29-V33 PolarHBondContact O-N 2.86Å; L29-L47 HydrophobicContact CB-CD1 3.96Å; L29-L47 HydrophobicContact CD2-CD1 3.56Å; L29-L47 HydrophobicContact CG-CD1 3.64Å; L29-I65 HydrophobicContact CB-CG2 4.12Å; L29-I65 HydrophobicContact CD2-CG2 3.94Å; L29-F78 HydrophobicContact CD2-CD2 3.56Å; L29-F78 HydrophobicContact CD2-CE2 3.58Å; L29-F78 HydrophobicContact CD2-CG 4.09Å; L29-F78 HydrophobicContact CD2-CZ 4.16Å
30V92.6Very high92.3Very high24 Ų2449.6 Ų49.615%0.14527%0.267CS..Hα-helixtrans-54.2-51.7174.2171.30000110.6G26 A27 K32 V33 C34 L47G26-V30 WeakPolarHBondContact O-CG2 3.38Å; G26-V30 PolarHBondContact O-N 3.14Å; A27-V30 PolarHBondContact O-N 3.02Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 2.78Å; V30-V33 PolarHBondContact O-N 2.87Å; V30-C34 WeakPolarHBondContact O-CB 3.22Å; V30-C34 PolarHBondContact O-N 3.06Å; V30-C34 PolarHBondContact O-SG 2.86Å; V30-C34 VanDerWaalsContact O-SG 3.37Å; V30-L47 HydrophobicContact CG2-CD1 3.74Å; V30-L47 HydrophobicContact CG2-CD2 4.34Å; V30-L47 HydrophobicContact CG2-CG 3.6Å
31S93.3Very high92.5Very high48 Ų4849 Ų4934%0.33626%0.264SS..Hα-helixtrans-57.3-46.3179.7170.30000111.8A27 L29 V33 C34 T35A27-S31 WeakPolarHBondContact O-CB 3.31Å; A27-S31 PolarHBondContact O-N 3.24Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.98Å; S31-V33 PolarHBondContact O-N 3.21Å; S31-C34 PolarHBondContact O-N 3.23Å; S31-T35 WeakPolarHBondContact O-CB 3.33Å; S31-T35 PolarHBondContact O-N 3.02Å; S31-T35 PolarHBondContact O-OG1 2.8Å
32K93.9Very high92.7Very high102 Ų10247.2 Ų47.244%0.44326%0.258SS..Hα-helixtrans-61.2-42.7176.9-77.8-149.6178.3-155.40113.2F18 L20 Q28 L29 V30 A36F18-K32 HydrophobicContact CD1-CB 4.49Å; F18-K32 HydrophobicContact CD1-CD 4.47Å; F18-K32 HydrophobicContact CE1-CB 4.25Å; L20-K32 HydrophobicContact CD2-CD 3.87Å; Q28-K32 WeakPolarHBondContact O-CG 3.44Å; Q28-K32 PolarHBondContact O-N 3.24Å; L29-K32 PolarHBondContact O-N 2.78Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 2.78Å; K32-A36 WeakPolarHBondContact O-CB 3.17Å; K32-A36 PolarHBondContact O-N 2.97Å
33V93.7Very high93Very high1 Ų146.7 Ų46.71%0.00626%0.256CS..Hα-helixtrans-66.8-49.1179.61770000110.4V9 L16 F18 L29 V30 S31 T35 A36 L37 V80V9-V33 HydrophobicContact CB-CG2 4.21Å; V9-V33 HydrophobicContact CG1-CG1 4.19Å; V9-V33 HydrophobicContact CG1-CG2 3.97Å; V9-V33 HydrophobicContact CG2-CG2 3.86Å; L16-V33 HydrophobicContact CD1-CG1 4.05Å; F18-V33 HydrophobicContact CD2-CG2 4.39Å; F18-V33 HydrophobicContact CE2-CG2 3.57Å; F18-V33 HydrophobicContact CZ-CB 4.38Å; F18-V33 HydrophobicContact CZ-CG2 3.78Å; L29-V33 HydrophobicContact CD1-CG2 3.94Å; L29-V33 HydrophobicContact CG-CG2 4.41Å; L29-V33 VanDerWaalsContact O-CG2 3.26Å; L29-V33 WeakPolarHBondContact O-CG2 3.47Å; L29-V33 PolarHBondContact O-N 2.86Å; V30-V33 PolarHBondContact O-N 2.87Å; S31-V33 PolarHBondContact O-N 3.21Å; V33-T35 VanDerWaalsContact C-N 3.31Å; V33-T35 PolarHBondContact O-N 2.79Å; V33-A36 PolarHBondContact O-N 3.06Å; V33-A36 VanDerWaalsContact O-N 3.11Å; V33-L37 HydrophobicContact CG1-CD1 3.78Å; V33-L37 HydrophobicContact CG1-CG 4.24Å; V33-L37 WeakPolarHBondContact O-CG 3.15Å; V33-L37 PolarHBondContact O-N 3.07Å; V33-V80 HydrophobicContact CB-CG2 4.23Å; V33-V80 HydrophobicContact CG1-CG2 3.38Å; V33-V80 HydrophobicContact CG2-CG2 4.49Å
34C94.1Very high93.4Very high1 Ų140 Ų401%0.00723%0.227CC..Hα-helixtrans-58.2-42.4177.4-69.90000111.8V30 S31 L37 G38 I39 M42V30-C34 WeakPolarHBondContact O-CB 3.22Å; V30-C34 PolarHBondContact O-N 3.06Å; V30-C34 PolarHBondContact O-SG 2.86Å; V30-C34 VanDerWaalsContact O-SG 3.37Å; S31-C34 PolarHBondContact O-N 3.23Å; C34-L37 CarbonylContact O-C 3.51Å; C34-L37 PolarHBondContact O-N 2.96Å; C34-G38 PolarHBondContact O-N 2.94Å; C34-I39 HydrophobicContact CB-CB 4.02Å; C34-I39 HydrophobicContact CB-CG2 4.37Å; C34-I39 PolarHBondContact O-N 3.44Å; C34-M42 HydrophobicContact CB-CB 3.95Å
35T94.4Very high93.6Very high101 Ų10140.3 Ų40.362%0.6223%0.228SC*.Hα-helixtrans-62-43.9174.5-59.80000112.3S31 V33 L37 G38S31-T35 WeakPolarHBondContact O-CB 3.33Å; S31-T35 PolarHBondContact O-N 3.02Å; S31-T35 PolarHBondContact O-OG1 2.8Å; V33-T35 VanDerWaalsContact C-N 3.31Å; V33-T35 PolarHBondContact O-N 2.79Å; T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 3.33Å; T35-G38 PolarHBondContact O-N 2.94Å
36A94.3Very high93.6Very high61 Ų6139.5 Ų39.550%0.50422%0.223SC..Hα-helixtrans-64.5-32.4178.100000112.7L16 F18 K32 V33L16-A36 HydrophobicContact CD1-CB 4.24Å; F18-A36 HydrophobicContact CE1-CB 4.32Å; F18-A36 HydrophobicContact CZ-CB 4.18Å; K32-A36 WeakPolarHBondContact O-CB 3.17Å; K32-A36 PolarHBondContact O-N 2.97Å; V33-A36 PolarHBondContact O-N 3.06Å; V33-A36 VanDerWaalsContact O-N 3.11Å
37L93.2Very high93.7Very high27 Ų2739.8 Ų39.814%0.14122%0.223CC..Hα-helixtrans-84-10.2176.6-65.9179.3000113.8T11 L16 V33 C34 T35 I39 T97 Y101T11-L37 HydrophobicContact CG2-CD1 3.88Å; T11-L37 HydrophobicContact CG2-CD2 4.28Å; L16-L37 HydrophobicContact CD1-CD2 3.68Å; L16-L37 HydrophobicContact CD1-CG 3.91Å; V33-L37 HydrophobicContact CG1-CD1 3.78Å; V33-L37 HydrophobicContact CG1-CG 4.24Å; V33-L37 WeakPolarHBondContact O-CG 3.15Å; V33-L37 PolarHBondContact O-N 3.07Å; C34-L37 CarbonylContact O-C 3.51Å; C34-L37 PolarHBondContact O-N 2.96Å; T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 3.33Å; L37-I39 VanDerWaalsContact C-N 3.31Å; L37-I39 HydrophobicContact CB-CD1 3.91Å; L37-I39 HydrophobicContact CB-CG1 3.93Å; L37-I39 HydrophobicContact CD1-CD1 3.79Å; L37-T97 VanDerWaalsContact O-CG2 3.29Å; L37-T97 WeakPolarHBondContact O-CG2 3.36Å; L37-Y101 HydrophobicContact CB-CE2 4.23Å; L37-Y101 HydrophobicContact CD1-CE1 4.15Å; L37-Y101 HydrophobicContact CD1-CE2 4.21Å; L37-Y101 WeakPolarHBondContact CD2-OH 3.37Å
38G93.4Very high93.8Very high38 Ų3839.3 Ų39.339%0.39221%0.213SC..THydrogen-bonded Turntrans74.617.6-173.200000114.5C34 T35 R40C34-G38 PolarHBondContact O-N 2.94Å; T35-G38 PolarHBondContact O-N 2.94Å; G38-R40 PolarHBondContact O-N 2.67Å
39I94.4Very high93.7Very high4 Ų434.3 Ų34.32%0.02119%0.19CC..  trans-80.5114176.6-62169.6000109.4C34 L37 F45 T97 Y101C34-I39 HydrophobicContact CB-CB 4.02Å; C34-I39 HydrophobicContact CB-CG2 4.37Å; C34-I39 PolarHBondContact O-N 3.44Å; L37-I39 VanDerWaalsContact C-N 3.31Å; L37-I39 HydrophobicContact CB-CD1 3.91Å; L37-I39 HydrophobicContact CB-CG1 3.93Å; L37-I39 HydrophobicContact CD1-CD1 3.79Å; I39-F45 HydrophobicContact CD1-CD2 4.5Å; I39-F45 HydrophobicContact CD1-CE1 4.46Å; I39-F45 HydrophobicContact CD1-CE2 4.24Å; I39-F45 HydrophobicContact CD1-CZ 4.22Å; I39-F45 HydrophobicContact CG2-CD2 3.71Å; I39-F45 HydrophobicContact CG2-CE2 3.44Å; I39-F45 VanDerWaalsContact CG2-CE2 3.44Å; I39-F45 HydrophobicContact CG2-CZ 4.31Å; I39-T97 HydrophobicContact CG1-CG2 3.75Å; I39-Y101 HydrophobicContact CD1-CD2 3.62Å; I39-Y101 HydrophobicContact CD1-CE2 3.97Å; I39-Y101 HydrophobicContact CD1-CG 4.05Å; I39-Y101 HydrophobicContact CG1-CD2 3.94Å; I39-Y101 HydrophobicContact CG1-CE2 4.21Å
40R92.8Very high93.5Very high81 Ų8137.9 Ų37.931%0.30621%0.211SC..SBendtrans-85.4-38.2176.5-65.1-170.5-70.2156.12.3113.1G38 M42 D95 M304G38-R40 PolarHBondContact O-N 2.67Å; R40-M42 PolarHBondContact O-N 3.17Å; R40-D95 IonicContact CZ-OD1 2.56Å; R40-D95 VanDerWaalsContact CZ-OD1 3.29Å; R40-D95 IonicContact NE-OD1 3.18Å; R40-D95 PolarHBondContact NE-OD1 2.8Å; R40-D95 IonicContact NH2-OD1 2.66Å; R40-D95 PolarHBondContact NH2-OD1 3.2Å; R40-M304 HydrophobicContact CB-CE 3.96Å; R40-M304 HydrophobicContact CB-SD 4Å
41E95.7Very high93.1Very high0 Ų037.4 Ų37.40%021%0.208CC..  trans-84.155.2-177.3-55.4168104.900111.6W43 Y44 I94 D95 T98 M304E41-W43 HydrophobicContact CB-CD2 4.41Å; E41-W43 HydrophobicContact CB-CH2 3.93Å; E41-W43 HydrophobicContact CB-CZ2 3.57Å; E41-W43 HydrophobicContact CB-CZ3 4.47Å; E41-W43 HydrophobicContact CG-CH2 3.8Å; E41-W43 HydrophobicContact CG-CZ2 3.58Å; E41-W43 PolarHBondContact O-N 2.84Å; E41-Y44 HydrophobicContact CB-CD2 3.89Å; E41-Y44 HydrophobicContact CB-CE2 4.05Å; E41-Y44 PolarHBondContact O-N 3.33Å; E41-I94 PolarHBondContact OE1-N 3.27Å; E41-I94 PolarHBondContact OE2-N 3.12Å; E41-D95 HydrophobicContact CG-CB 4.26Å; E41-D95 WeakPolarHBondContact OE2-CB 3.41Å; E41-D95 PolarHBondContact OE2-N 3.03Å; E41-T98 HydrophobicContact CB-CG2 4.16Å; E41-T98 WeakPolarHBondContact CB-OG1 3.43Å; E41-T98 WeakPolarHBondContact OE2-CB 3.49Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.39Å; E41-T98 PolarHBondContact OE2-OG1 3.49Å; E41-M304 HydrophobicContact CG-SD 4.32Å
42M94.1Very high92.7Very high73 Ų7339.3 Ų39.336%0.3621%0.211SC..G310 helixtrans-61.3-17.2-171.565.1179.771.100114.5C34 R40 Y44 F45C34-M42 HydrophobicContact CB-CB 3.95Å; R40-M42 PolarHBondContact O-N 3.17Å; M42-Y44 PolarHBondContact O-N 3.44Å; M42-F45 PolarHBondContact O-N 3.37Å; M42-F45 VanDerWaalsContact O-N 3.13Å
43W94.4Very high92.2Very high82 Ų8241.8 Ų41.831%0.31122%0.222SC..G310 helixtrans-66.6-15.7-178.453.380.1000114.1E41 Y84 L289 V301 M304E41-W43 HydrophobicContact CB-CD2 4.41Å; E41-W43 HydrophobicContact CB-CH2 3.93Å; E41-W43 HydrophobicContact CB-CZ2 3.57Å; E41-W43 HydrophobicContact CB-CZ3 4.47Å; E41-W43 HydrophobicContact CG-CH2 3.8Å; E41-W43 HydrophobicContact CG-CZ2 3.58Å; E41-W43 PolarHBondContact O-N 2.84Å; W43-Y84 VanDerWaalsContact O-CD2 3.29Å; W43-Y84 WeakPolarHBondContact O-CD2 3.4Å; W43-L289 HydrophobicContact CB-CD2 4.39Å; W43-L289 HydrophobicContact CG-CD2 4.41Å; W43-V301 HydrophobicContact CH2-CG2 4.07Å; W43-V301 HydrophobicContact CZ2-CG2 4.36Å; W43-M304 HydrophobicContact CH2-CE 4.32Å
44Y96.4Very high91.8Very high9 Ų947.4 Ų47.44%0.03525%0.252CS..G310 helixtrans-82.2-20.6173.7-65.8-57.5000113.9E41 M42 K83 Y84 P86 L93 T98 F102E41-Y44 HydrophobicContact CB-CD2 3.89Å; E41-Y44 HydrophobicContact CB-CE2 4.05Å; E41-Y44 PolarHBondContact O-N 3.33Å; M42-Y44 PolarHBondContact O-N 3.44Å; Y44-K83 PolarHBondContact O-N 3Å; Y44-Y84 VanDerWaalsContact CD1-O 3.26Å; Y44-Y84 WeakPolarHBondContact CD1-O 3.45Å; Y44-Y84 PolarHBondContact O-N 2.83Å; Y44-Y84 VanDerWaalsContact O-N 3.1Å; Y44-P86 HydrophobicContact CE1-CB 4.37Å; Y44-L93 HydrophobicContact CD2-CD2 3.9Å; Y44-L93 HydrophobicContact CE2-CD2 3.52Å; Y44-T98 HydrophobicContact CD2-CG2 4.1Å; Y44-F102 HydrophobicContact CD1-CE2 4.45Å; Y44-F102 AromaticContact CD1-CZ 3.99Å; Y44-F102 HydrophobicContact CD1-CZ 3.99Å; Y44-F102 AromaticContact CD2-CE2 3.94Å; Y44-F102 HydrophobicContact CD2-CE2 3.94Å; Y44-F102 HydrophobicContact CD2-CZ 4.27Å; Y44-F102 AromaticContact CG-CE2 3.75Å; Y44-F102 HydrophobicContact CG-CE2 3.75Å; Y44-F102 AromaticContact CG-CZ 3.73Å; Y44-F102 HydrophobicContact CG-CZ 3.73Å
45F95.2Very high91.4Very high12 Ų1251 Ų515%0.05327%0.266CS..EExtended strand (participates in β ladder)trans-100.1151.5-169.7-62.4-84.7000112.6I39 M42 V80 K81 V82 T98 F102I39-F45 HydrophobicContact CD1-CD2 4.5Å; I39-F45 HydrophobicContact CD1-CE1 4.46Å; I39-F45 HydrophobicContact CD1-CE2 4.24Å; I39-F45 HydrophobicContact CD1-CZ 4.22Å; I39-F45 HydrophobicContact CG2-CD2 3.71Å; I39-F45 HydrophobicContact CG2-CE2 3.44Å; I39-F45 VanDerWaalsContact CG2-CE2 3.44Å; I39-F45 HydrophobicContact CG2-CZ 4.31Å; M42-F45 PolarHBondContact O-N 3.37Å; M42-F45 VanDerWaalsContact O-N 3.13Å; F45-V80 HydrophobicContact CB-CG1 4.38Å; F45-V80 HydrophobicContact CD1-CG1 4.19Å; F45-K81 WeakPolarHBondContact CA-O 3.48Å; F45-V82 HydrophobicContact CD1-CG2 4.33Å; F45-V82 HydrophobicContact CE1-CG2 3.83Å; F45-T98 HydrophobicContact CE2-CG2 3.94Å; F45-T98 HydrophobicContact CZ-CG2 4.13Å; F45-F102 HydrophobicContact CZ-CD2 4.07Å; F45-F102 HydrophobicContact CZ-CE2 4.2Å
46G93.2Very high91.1Very high6 Ų651.8 Ų51.86%0.06227%0.265CS..EExtended strand (participates in β ladder)trans-141173.4171.600000111.5K81G46-K81 PolarHBondContact N-O 3.31Å; G46-K81 PolarHBondContact O-N 3Å
47L92.2Very high90.9Very high9 Ų949.6 Ų49.65%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-102.2132.3172.9-60.2169.2000109L29 V30 P59 F78 D79 V80L29-L47 HydrophobicContact CB-CD1 3.96Å; L29-L47 HydrophobicContact CD2-CD1 3.56Å; L29-L47 HydrophobicContact CG-CD1 3.64Å; V30-L47 HydrophobicContact CG2-CD1 3.74Å; V30-L47 HydrophobicContact CG2-CD2 4.34Å; V30-L47 HydrophobicContact CG2-CG 3.6Å; L47-P59 VanDerWaalsContact O-CD 3.26Å; L47-P59 WeakPolarHBondContact O-CD 3.43Å; L47-F78 HydrophobicContact CB-CB 4.45Å; L47-F78 HydrophobicContact CB-CD1 3.98Å; L47-F78 HydrophobicContact CD1-CD1 4.31Å; L47-F78 HydrophobicContact CD2-CB 4.17Å; L47-D79 CarbonylContact C-O 3.56Å; L47-D79 WeakPolarHBondContact CA-O 3.17Å; L47-V80 HydrophobicContact CD2-CG2 3.77Å
48Q92.6Very high90.7Very high39 Ų3950.5 Ų50.518%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-100.1149.2162.9-70.3-171.3-23.900110I56 T57 W58 F78 D79 K81Q48-I56 HydrophobicContact CB-CG2 4.29Å; Q48-I56 HydrophobicContact CG-CG2 4.39Å; Q48-T57 WeakPolarHBondContact CA-O 3.44Å; Q48-W58 HydrophobicContact CG-CD2 3.77Å; Q48-W58 HydrophobicContact CG-CE3 3.63Å; Q48-W58 HydrophobicContact CG-CH2 3.7Å; Q48-W58 HydrophobicContact CG-CZ2 3.79Å; Q48-W58 HydrophobicContact CG-CZ3 3.59Å; Q48-F78 WeakPolarHBondContact O-CA 3.42Å; Q48-D79 HydrophobicContact CB-CB 4.35Å; Q48-D79 PolarHBondContact N-O 2.77Å; Q48-D79 PolarHBondContact O-N 3.45Å; Q48-K81 HydrophobicContact CG-CB 4.32Å; Q48-K81 HydrophobicContact CG-CG 4.14Å
49C91.5Very high90.1Very high3 Ų349.8 Ų49.82%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-153.3167.2168.965.20000110.4T57 Q69 F78C49-T57 PolarHBondContact N-O 2.74Å; C49-T57 PolarHBondContact O-N 3.19Å; C49-Q69 HydrophobicContact CB-CG 3.84Å; C49-F78 HydrophobicContact CB-CD1 3.7Å; C49-F78 HydrophobicContact CB-CE1 3.93Å
50V89.1Confident89.6Confident74 Ų7455.1 Ų55.145%0.44826%0.255SS..EExtended strand (participates in β ladder)trans-87.1123.3172.8-177.60000109.8N54 R55V50-N54 VanDerWaalsContact CG1-CA 3.49Å; V50-N54 HydrophobicContact CG1-CB 4.37Å; V50-R55 WeakPolarHBondContact CA-O 3.13Å
51D84.2Confident89.1Confident15 Ų1553.8 Ų53.88%0.0826%0.262CS..  trans-77.7-180-179.882.3-3.5000113.1K53 N54 R55 T57 H274D51-K53 PolarHBondContact O-N 3.19Å; D51-K53 VanDerWaalsContact OD1-C 3.26Å; D51-K53 VanDerWaalsContact OD1-CA 3.27Å; D51-K53 WeakPolarHBondContact OD1-CA 3.46Å; D51-K53 WeakPolarHBondContact OD1-CB 3.3Å; D51-K53 PolarHBondContact OD1-N 3.39Å; D51-N54 PolarHBondContact O-N 3.26Å; D51-N54 VanDerWaalsContact O-N 3.09Å; D51-N54 PolarHBondContact OD1-N 3.04Å; D51-R55 PolarHBondContact N-O 3.42Å; D51-R55 PolarHBondContact OD1-N 3.4Å; D51-R55 IonicContact OD1-NE 3.76Å; D51-R55 IonicContact OD2-CZ 3.64Å; D51-R55 IonicContact OD2-NE 2.69Å; D51-R55 PolarHBondContact OD2-NE 2.76Å; D51-R55 VanDerWaalsContact OD2-NE 3.14Å; D51-R55 IonicContact OD2-NH2 3.94Å; D51-R55 PolarHBondContact OD2-NH2 2.78Å; D51-T57 HydrophobicContact CB-CG2 3.79Å; D51-H274 IonicContact OD2-CE1 3.58Å
52H83.3Confident88.6Confident87 Ų8758 Ų5840%0.40328%0.284SS..THydrogen-bonded Turntrans-57.5-20.1177.4-62.2-78.4000114.8Q69 K70H52-Q69 PolarHBondContact CE1-O 3.33Å; H52-Q69 PolarHBondContact NE2-O 3Å; H52-K70 VanDerWaalsContact ND1-CA 3.31Å; H52-K70 WeakPolarHBondContact ND1-CA 3.39Å
53K85Confident88.4Confident154 Ų15459.2 Ų59.267%0.6729%0.287SS*.THydrogen-bonded Turntrans-106.719.7-177.8-59.6-166.6178.4-167.20112D51 R55D51-K53 PolarHBondContact O-N 3.19Å; D51-K53 VanDerWaalsContact OD1-C 3.26Å; D51-K53 VanDerWaalsContact OD1-CA 3.27Å; D51-K53 WeakPolarHBondContact OD1-CA 3.46Å; D51-K53 WeakPolarHBondContact OD1-CB 3.3Å; D51-K53 PolarHBondContact OD1-N 3.39Å; K53-R55 HydrophobicContact CB-CG 4.45Å; K53-R55 PolarHBondContact O-N 2.79Å
54N83.9Confident88.2Confident119 Ų11960.7 Ų60.764%0.63630%0.296SS*.SBendtrans58.930.5-178.3-65.3-10.4000114V50 D51V50-N54 VanDerWaalsContact CG1-CA 3.49Å; V50-N54 HydrophobicContact CG1-CB 4.37Å; D51-N54 PolarHBondContact O-N 3.26Å; D51-N54 VanDerWaalsContact O-N 3.09Å; D51-N54 PolarHBondContact OD1-N 3.04Å
55R87Confident87.8Confident77 Ų7760.2 Ų60.229%0.29129%0.294SS..  trans-105.4137.5176.6-60.5172.3-60.4172.811.9110.2V50 D51 K53 T57 H274V50-R55 WeakPolarHBondContact CA-O 3.13Å; D51-R55 PolarHBondContact N-O 3.42Å; D51-R55 PolarHBondContact OD1-N 3.4Å; D51-R55 IonicContact OD1-NE 3.76Å; D51-R55 IonicContact OD2-CZ 3.64Å; D51-R55 IonicContact OD2-NE 2.69Å; D51-R55 PolarHBondContact OD2-NE 2.76Å; D51-R55 VanDerWaalsContact OD2-NE 3.14Å; D51-R55 IonicContact OD2-NH2 3.94Å; D51-R55 PolarHBondContact OD2-NH2 2.78Å; K53-R55 HydrophobicContact CB-CG 4.45Å; K53-R55 PolarHBondContact O-N 2.79Å; R55-T57 PolarHBondContact O-N 3.12Å; R55-H274 VanDerWaalsContact CZ-CD2 3.44Å; R55-H274 PolarHBondContact NH1-CD2 3.45Å; R55-H274 VanDerWaalsContact NH1-CD2 3.35Å; R55-H274 VanDerWaalsContact NH2-CG 3.35Å; R55-H274 PolarHBondContact NH2-ND1 3.42Å
56I87.8Confident87.3Confident117 Ų11760.3 Ų60.360%0.630%0.296SS*.EExtended strand (participates in β ladder)trans-66.5124.8169.6-59172.9000107.8Q48Q48-I56 HydrophobicContact CB-CG2 4.29Å; Q48-I56 HydrophobicContact CG-CG2 4.39Å
57T89.3Confident87Confident16 Ų1663.5 Ų63.510%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-134.5156.4-178.4-176.30000111.1Q48 C49 D51 R55 P59Q48-T57 WeakPolarHBondContact CA-O 3.44Å; C49-T57 PolarHBondContact N-O 2.74Å; C49-T57 PolarHBondContact O-N 3.19Å; D51-T57 HydrophobicContact CB-CG2 3.79Å; R55-T57 PolarHBondContact O-N 3.12Å; T57-P59 WeakPolarHBondContact O-CD 3.34Å
58W88.6Confident86.5Confident46 Ų4663.7 Ų63.717%0.17432%0.315CS..  trans-96.491.1166.9-65.4101.4000109.5Q48 K81 K83Q48-W58 HydrophobicContact CG-CD2 3.77Å; Q48-W58 HydrophobicContact CG-CE3 3.63Å; Q48-W58 HydrophobicContact CG-CH2 3.7Å; Q48-W58 HydrophobicContact CG-CZ2 3.79Å; Q48-W58 HydrophobicContact CG-CZ3 3.59Å; W58-K81 HydrophobicContact CH2-CB 3.44Å; W58-K81 VanDerWaalsContact CH2-CB 3.44Å; W58-K81 HydrophobicContact CZ2-CB 4.4Å; W58-K81 HydrophobicContact CZ3-CB 3.95Å; W58-K83 HydrophobicContact CD2-CD 4.04Å; W58-K83 HydrophobicContact CD2-CG 4.12Å; W58-K83 HydrophobicContact CE3-CB 4.3Å; W58-K83 HydrophobicContact CE3-CD 3.65Å; W58-K83 HydrophobicContact CE3-CG 3.93Å; W58-K83 HydrophobicContact CH2-CB 3.68Å; W58-K83 HydrophobicContact CH2-CD 4.5Å; W58-K83 HydrophobicContact CH2-CG 3.92Å; W58-K83 HydrophobicContact CZ2-CB 4.3Å; W58-K83 HydrophobicContact CZ2-CG 4.15Å; W58-K83 HydrophobicContact CZ3-CB 3.71Å; W58-K83 HydrophobicContact CZ3-CD 3.92Å; W58-K83 HydrophobicContact CZ3-CG 3.84Å
59P81.3Confident85.9Confident22 Ų2262.7 Ų62.714%0.14331%0.31CS..  trans-55.2147.2175.123.5-36000111.9L47 T57 M68 F78L47-P59 VanDerWaalsContact O-CD 3.26Å; L47-P59 WeakPolarHBondContact O-CD 3.43Å; T57-P59 WeakPolarHBondContact O-CD 3.34Å; P59-M68 HydrophobicContact CB-CB 3.95Å; P59-M68 HydrophobicContact CB-CE 3.83Å; P59-M68 HydrophobicContact CB-CG 3.53Å; P59-M68 HydrophobicContact CB-SD 3.31Å; P59-M68 WeakPolarHBondContact CB-SD 3.3Å; P59-M68 HydrophobicContact CG-CB 4.43Å; P59-M68 HydrophobicContact CG-CE 4.5Å; P59-M68 HydrophobicContact CG-CG 4.28Å; P59-M68 HydrophobicContact CG-SD 3.62Å; P59-F78 HydrophobicContact CG-CE1 4.4Å
60R83.6Confident85Confident116 Ų11668.9 Ų68.944%0.43834%0.337SS..  trans-68.9133.4176.5-80.7-177.456.9160.22.7110.6D62 K63 M68R60-D62 WeakPolarHBondContact CB-OD1 3.47Å; R60-D62 IonicContact CZ-OD1 3.61Å; R60-D62 VanDerWaalsContact CZ-OD1 3.3Å; R60-D62 IonicContact CZ-OD2 3.35Å; R60-D62 IonicContact NE-OD1 3.52Å; R60-D62 PolarHBondContact NE-OD1 2.94Å; R60-D62 IonicContact NE-OD2 2.88Å; R60-D62 IonicContact NH2-OD1 2.84Å; R60-D62 PolarHBondContact NH2-OD1 3.32Å; R60-D62 IonicContact NH2-OD2 2.78Å; R60-D62 PolarHBondContact NH2-OD2 2.74Å; R60-D62 PolarHBondContact O-N 3.22Å; R60-K63 HydrophobicContact CB-CB 4.42Å; R60-K63 HydrophobicContact CB-CG 3.7Å; R60-K63 WeakPolarHBondContact O-CB 3.09Å; R60-K63 PolarHBondContact O-N 3.35Å; R60-M68 WeakPolarHBondContact O-CE 3.36Å
61A82.4Confident84.2Confident54 Ų5469.5 Ų69.545%0.44634%0.338SS..THydrogen-bonded Turntrans-61.1-29.2-177.600000113.2S25 G26 A27 K63S25-A61 WeakPolarHBondContact CB-O 3.48Å; G26-A61 PolarHBondContact N-O 3.12Å; A27-A61 HydrophobicContact CB-CB 4.07Å; A27-A61 WeakPolarHBondContact CB-O 3.33Å; A27-A61 PolarHBondContact N-O 2.82Å; A61-K63 VanDerWaalsContact C-N 3.33Å
62D86.3Confident83.5Confident88 Ų8873.4 Ų73.447%0.47135%0.354SS..THydrogen-bonded Turntrans-78-13.5177.463.6-70.6000114.2R60R60-D62 WeakPolarHBondContact CB-OD1 3.47Å; R60-D62 IonicContact CZ-OD1 3.61Å; R60-D62 VanDerWaalsContact CZ-OD1 3.3Å; R60-D62 IonicContact CZ-OD2 3.35Å; R60-D62 IonicContact NE-OD1 3.52Å; R60-D62 PolarHBondContact NE-OD1 2.94Å; R60-D62 IonicContact NE-OD2 2.88Å; R60-D62 IonicContact NH2-OD1 2.84Å; R60-D62 PolarHBondContact NH2-OD1 3.32Å; R60-D62 IonicContact NH2-OD2 2.78Å; R60-D62 PolarHBondContact NH2-OD2 2.74Å; R60-D62 PolarHBondContact O-N 3.22Å
63K89.4Confident83Confident98 Ų9876 Ų7643%0.42637%0.371SS..SBendtrans-82.7156.1-178.3-61.7-64.6174.4-166.30111.2S25 G26 R60 A61 M68S25-K63 CarbonylContact C-O 3.53Å; S25-K63 WeakPolarHBondContact CA-O 3.47Å; G26-K63 PolarHBondContact N-O 3.34Å; R60-K63 HydrophobicContact CB-CB 4.42Å; R60-K63 HydrophobicContact CB-CG 3.7Å; R60-K63 WeakPolarHBondContact O-CB 3.09Å; R60-K63 PolarHBondContact O-N 3.35Å; A61-K63 VanDerWaalsContact C-N 3.33Å; K63-M68 HydrophobicContact CB-CE 4Å; K63-M68 WeakPolarHBondContact O-CE 3.33Å
64K89.8Confident82.6Confident113 Ų11369.3 Ų69.349%0.49135%0.346SS..BIsolated β-bridgetrans-70.5136.7175.9-65.3176.7-178172.80109.6A24 T66 T67 M68A24-K64 CarbonylContact O-C 3.6Å; A24-K64 VanDerWaalsContact O-CA 3.31Å; A24-K64 WeakPolarHBondContact O-CA 3.47Å; K64-T66 PolarHBondContact O-N 3.32Å; K64-T66 VanDerWaalsContact O-N 3.15Å; K64-T67 HydrophobicContact CB-CG2 4.16Å; K64-T67 PolarHBondContact O-N 2.98Å; K64-T67 PolarHBondContact O-OG1 3.43Å; K64-M68 WeakPolarHBondContact O-CG 3.33Å
65I87.7Confident82.6Confident0 Ų066.5 Ų66.50%033%0.334CS..G310 helixtrans-55.6-34.8178.360.9177.4000112.6V7 L20 A24 L29 T67 M68 L76 F78V7-I65 HydrophobicContact CG2-CD1 3.84Å; L20-I65 HydrophobicContact CB-CD1 3.97Å; L20-I65 HydrophobicContact CD1-CD1 3.96Å; A24-I65 HydrophobicContact CB-CD1 4Å; A24-I65 HydrophobicContact CB-CG1 4.38Å; A24-I65 PolarHBondContact O-N 3.25Å; L29-I65 HydrophobicContact CB-CG2 4.12Å; L29-I65 HydrophobicContact CD2-CG2 3.94Å; I65-T67 PolarHBondContact O-N 2.69Å; I65-T67 VanDerWaalsContact O-N 3.13Å; I65-M68 HydrophobicContact CB-SD 4.48Å; I65-M68 HydrophobicContact CG2-CE 4.47Å; I65-M68 HydrophobicContact CG2-SD 4.34Å; I65-M68 WeakPolarHBondContact O-CB 3.4Å; I65-M68 PolarHBondContact O-N 2.9Å; I65-L76 HydrophobicContact CB-CD1 4.01Å; I65-L76 HydrophobicContact CD1-CD1 4.07Å; I65-L76 HydrophobicContact CG1-CD1 3.85Å; I65-F78 HydrophobicContact CB-CE2 4.44Å; I65-F78 HydrophobicContact CB-CZ 4.14Å; I65-F78 HydrophobicContact CG2-CZ 4.42Å
66T86.2Confident82.8Confident14 Ų1462.9 Ų62.99%0.08632%0.32CS..G310 helixtrans-68.6-8.4177.951.10000114.6V5 R22 K64 L76V5-T66 HydrophobicContact CG2-CG2 3.99Å; R22-T66 HydrophobicContact CB-CG2 4.23Å; R22-T66 HydrophobicContact CG-CG2 4.25Å; R22-T66 WeakPolarHBondContact O-CG2 3.32Å; R22-T66 PolarHBondContact O-OG1 3.19Å; K64-T66 PolarHBondContact O-N 3.32Å; K64-T66 VanDerWaalsContact O-N 3.15Å; T66-L76 HydrophobicContact CG2-CD1 4.4Å
67T85.3Confident83Confident72 Ų7262.5 Ų62.544%0.44232%0.316SS..G310 helixtrans-105.20.3178.162.20000113.2K64 I65K64-T67 HydrophobicContact CB-CG2 4.16Å; K64-T67 PolarHBondContact O-N 2.98Å; K64-T67 PolarHBondContact O-OG1 3.43Å; I65-T67 PolarHBondContact O-N 2.69Å; I65-T67 VanDerWaalsContact O-N 3.13Å
68M81.8Confident83.2Confident14 Ų1461.9 Ų61.97%0.06931%0.311CS..SBendtrans-92.3-24.4-170.9-60.4178.5175.900113.4P59 R60 K63 K64 I65 F78P59-M68 HydrophobicContact CB-CB 3.95Å; P59-M68 HydrophobicContact CB-CE 3.83Å; P59-M68 HydrophobicContact CB-CG 3.53Å; P59-M68 HydrophobicContact CB-SD 3.31Å; P59-M68 WeakPolarHBondContact CB-SD 3.3Å; P59-M68 HydrophobicContact CG-CB 4.43Å; P59-M68 HydrophobicContact CG-CE 4.5Å; P59-M68 HydrophobicContact CG-CG 4.28Å; P59-M68 HydrophobicContact CG-SD 3.62Å; R60-M68 WeakPolarHBondContact O-CE 3.36Å; K63-M68 HydrophobicContact CB-CE 4Å; K63-M68 WeakPolarHBondContact O-CE 3.33Å; K64-M68 WeakPolarHBondContact O-CG 3.33Å; I65-M68 HydrophobicContact CB-SD 4.48Å; I65-M68 HydrophobicContact CG2-CE 4.47Å; I65-M68 HydrophobicContact CG2-SD 4.34Å; I65-M68 WeakPolarHBondContact O-CB 3.4Å; I65-M68 PolarHBondContact O-N 2.9Å; M68-F78 HydrophobicContact CB-CE1 4.24Å; M68-F78 HydrophobicContact CB-CZ 4.4Å; M68-F78 HydrophobicContact SD-CE1 3.77Å; M68-F78 HydrophobicContact SD-CZ 3.99Å
69Q80.7Confident83.4Confident17 Ų1762.5 Ų62.58%0.07932%0.318CS..SBendtrans-126.6161-169.5-65.3-175.740.600113.2C49 H52 L76 H77C49-Q69 HydrophobicContact CB-CG 3.84Å; H52-Q69 PolarHBondContact CE1-O 3.33Å; H52-Q69 PolarHBondContact NE2-O 3Å; Q69-L76 HydrophobicContact CB-CD2 4.32Å; Q69-H77 VanDerWaalsContact CD-O 3.26Å; Q69-H77 VanDerWaalsContact NE2-N 3.16Å; Q69-H77 PolarHBondContact NE2-O 2.88Å; Q69-H77 VanDerWaalsContact OE1-N 3.08Å; Q69-H77 PolarHBondContact OE1-O 2.97Å
70K73.4Confident83.9Confident133 Ų13362 Ų6258%0.57832%0.315SS*.SBendtrans-56.4-51.9-179.8-163.4175.7177.9-178.50113.6H52H52-K70 VanDerWaalsContact ND1-CA 3.31Å; H52-K70 WeakPolarHBondContact ND1-CA 3.39Å
71N72.1Confident84.5Confident88 Ų8858.1 Ų58.147%0.47130%0.301SS..  trans-87.9116.9-179-168.7-8.6000109.8D73 G74 L76N71-D73 PolarHBondContact OD1-N 3.43Å; N71-D73 VanDerWaalsContact OD1-N 3.09Å; N71-G74 PolarHBondContact OD1-N 3.03Å; N71-L76 WeakPolarHBondContact O-CD2 3.45Å
72K69.8Low85.1Confident96 Ų9656 Ų5642%0.41728%0.283SS..SBendtrans-97.5-14179.2-61.6-175.6-179169.50113.3
73D71.1Confident85.6Confident142 Ų14253.1 Ų53.176%0.75927%0.266SS*.SBendtrans-112.1-11.5-169-60.4-44000112.6N71N71-D73 PolarHBondContact OD1-N 3.43Å; N71-D73 VanDerWaalsContact OD1-N 3.09Å
74G77.3Confident85.9Confident14 Ų1450 Ų5014%0.14425%0.252CS..SBendtrans-103.7-174171.300000114.6N71 L76N71-G74 PolarHBondContact OD1-N 3.03Å; G74-L76 PolarHBondContact O-N 3.29Å
75P83.8Confident86.3Confident59 Ų5945.7 Ų45.738%0.38323%0.233SC..  trans-61.4134.4173.79.6-7.4000111.2P6 H77P6-P75 HydrophobicContact CB-CB 4.33Å; P6-P75 HydrophobicContact CG-CB 4.09Å; P6-P75 WeakPolarHBondContact O-CA 3.44Å; P75-H77 PolarHBondContact O-CE1 3.12Å; P75-H77 VanDerWaalsContact O-CE1 3.26Å; P75-H77 PolarHBondContact O-ND1 3.44Å
76L90.5Very high86.7Confident1 Ų146 Ų461%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-86.4136.1176.6-59.5178.4000109.5V5 P6 V7 S8 I65 T66 Q69 N71 G74 F78V5-L76 HydrophobicContact CG1-CD1 3.86Å; V5-L76 HydrophobicContact CG1-CG 3.85Å; P6-L76 PolarHBondContact O-N 3.13Å; V7-L76 CarbonylContact C-O 3.59Å; V7-L76 WeakPolarHBondContact CA-O 3.42Å; V7-L76 HydrophobicContact CG1-CB 4.33Å; V7-L76 HydrophobicContact CG2-CB 4.28Å; V7-L76 HydrophobicContact CG2-CD1 4.34Å; S8-L76 PolarHBondContact N-O 2.81Å; I65-L76 HydrophobicContact CB-CD1 4.01Å; I65-L76 HydrophobicContact CD1-CD1 4.07Å; I65-L76 HydrophobicContact CG1-CD1 3.85Å; T66-L76 HydrophobicContact CG2-CD1 4.4Å; Q69-L76 HydrophobicContact CB-CD2 4.32Å; N71-L76 WeakPolarHBondContact O-CD2 3.45Å; G74-L76 PolarHBondContact O-N 3.29Å; L76-F78 HydrophobicContact CB-CD2 4.36Å; L76-F78 HydrophobicContact CB-CE2 3.68Å; L76-F78 HydrophobicContact CB-CZ 4.46Å; L76-F78 HydrophobicContact CD1-CE2 4.3Å
77H92.2Very high87.1Confident110 Ų11048.4 Ų48.451%0.50925%0.245SC..EExtended strand (participates in β ladder)trans-115.8125-177-61.679.7000110.9S8 Q69 P75S8-H77 WeakPolarHBondContact O-CA 3.23Å; Q69-H77 VanDerWaalsContact CD-O 3.26Å; Q69-H77 VanDerWaalsContact NE2-N 3.16Å; Q69-H77 PolarHBondContact NE2-O 2.88Å; Q69-H77 VanDerWaalsContact OE1-N 3.08Å; Q69-H77 PolarHBondContact OE1-O 2.97Å; P75-H77 PolarHBondContact O-CE1 3.12Å; P75-H77 VanDerWaalsContact O-CE1 3.26Å; P75-H77 PolarHBondContact O-ND1 3.44Å
78F93.5Very high87.5Confident2 Ų247.2 Ų47.21%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-131.2150.7178.5-63.8-88.8000111V7 S8 V9 L10 L29 L47 Q48 C49 P59 I65 M68 L76V7-F78 HydrophobicContact CG1-CD2 3.63Å; V7-F78 HydrophobicContact CG1-CE2 3.84Å; S8-F78 PolarHBondContact O-N 3.37Å; V9-F78 CarbonylContact C-O 3.44Å; V9-F78 VanDerWaalsContact CA-O 3.27Å; V9-F78 WeakPolarHBondContact CA-O 3.48Å; V9-F78 HydrophobicContact CG2-CB 4.42Å; L10-F78 PolarHBondContact N-O 3.32Å; L29-F78 HydrophobicContact CD2-CD2 3.56Å; L29-F78 HydrophobicContact CD2-CE2 3.58Å; L29-F78 HydrophobicContact CD2-CG 4.09Å; L29-F78 HydrophobicContact CD2-CZ 4.16Å; L47-F78 HydrophobicContact CB-CB 4.45Å; L47-F78 HydrophobicContact CB-CD1 3.98Å; L47-F78 HydrophobicContact CD1-CD1 4.31Å; L47-F78 HydrophobicContact CD2-CB 4.17Å; Q48-F78 WeakPolarHBondContact O-CA 3.42Å; C49-F78 HydrophobicContact CB-CD1 3.7Å; C49-F78 HydrophobicContact CB-CE1 3.93Å; P59-F78 HydrophobicContact CG-CE1 4.4Å; I65-F78 HydrophobicContact CB-CE2 4.44Å; I65-F78 HydrophobicContact CB-CZ 4.14Å; I65-F78 HydrophobicContact CG2-CZ 4.42Å; M68-F78 HydrophobicContact CB-CE1 4.24Å; M68-F78 HydrophobicContact CB-CZ 4.4Å; M68-F78 HydrophobicContact SD-CE1 3.77Å; M68-F78 HydrophobicContact SD-CZ 3.99Å; L76-F78 HydrophobicContact CB-CD2 4.36Å; L76-F78 HydrophobicContact CB-CE2 3.68Å; L76-F78 HydrophobicContact CB-CZ 4.46Å; L76-F78 HydrophobicContact CD1-CE2 4.3Å
79D93.2Very high88.1Confident59 Ų5946.7 Ų46.732%0.31623%0.233SC..EExtended strand (participates in β ladder)trans-107.5131.6168.3-58.5-68000109L10 L47 Q48 K81L10-D79 WeakPolarHBondContact CB-OD1 3.37Å; L10-D79 WeakPolarHBondContact O-CA 3.47Å; L47-D79 CarbonylContact C-O 3.56Å; L47-D79 WeakPolarHBondContact CA-O 3.17Å; Q48-D79 HydrophobicContact CB-CB 4.35Å; Q48-D79 PolarHBondContact N-O 2.77Å; Q48-D79 PolarHBondContact O-N 3.45Å; D79-K81 HydrophobicContact CB-CG 4.29Å
80V93Very high88.4Confident11 Ų1148.3 Ų48.37%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-83.8128.1168.9178.80000108.7V9 L10 T11 V33 F45 L47V9-V80 HydrophobicContact CG1-CG2 3.36Å; L10-V80 PolarHBondContact O-N 2.83Å; L10-V80 VanDerWaalsContact O-N 3.15Å; T11-V80 HydrophobicContact CG2-CG2 4.47Å; V33-V80 HydrophobicContact CB-CG2 4.23Å; V33-V80 HydrophobicContact CG1-CG2 3.38Å; V33-V80 HydrophobicContact CG2-CG2 4.49Å; F45-V80 HydrophobicContact CB-CG1 4.38Å; F45-V80 HydrophobicContact CD1-CG1 4.19Å; L47-V80 HydrophobicContact CD2-CG2 3.77Å
81K94.5Very high89.2Confident36 Ų3645.1 Ų45.116%0.15724%0.238CC..EExtended strand (participates in β ladder)trans-140.1147.1-174.8-71.4-63.9-166.3160.40111.7K12 F45 G46 Q48 W58 D79 K83 D105K12-K81 VanDerWaalsContact CE-NZ 3.32Å; K12-K81 VanDerWaalsContact NZ-NZ 3.18Å; F45-K81 WeakPolarHBondContact CA-O 3.48Å; G46-K81 PolarHBondContact N-O 3.31Å; G46-K81 PolarHBondContact O-N 3Å; Q48-K81 HydrophobicContact CG-CB 4.32Å; Q48-K81 HydrophobicContact CG-CG 4.14Å; W58-K81 HydrophobicContact CH2-CB 3.44Å; W58-K81 VanDerWaalsContact CH2-CB 3.44Å; W58-K81 HydrophobicContact CZ2-CB 4.4Å; W58-K81 HydrophobicContact CZ3-CB 3.95Å; D79-K81 HydrophobicContact CB-CG 4.29Å; K81-K83 PolarHBondContact O-N 3.28Å; K81-D105 VanDerWaalsContact CA-OD2 3.27Å; K81-D105 WeakPolarHBondContact CA-OD2 3.47Å; K81-D105 WeakPolarHBondContact CD-OD1 3.2Å; K81-D105 VanDerWaalsContact CD-OD2 3.24Å; K81-D105 WeakPolarHBondContact CD-OD2 3.45Å; K81-D105 IonicContact NZ-OD1 3.46Å; K81-D105 PolarHBondContact NZ-OD1 2.93Å
82V95.9Very high90.2Very high9 Ų942.6 Ų42.66%0.05522%0.224CC..EExtended strand (participates in β ladder)trans-59.8121.6163.9179.30000107.9F45 Y85 F102 D105F45-V82 HydrophobicContact CD1-CG2 4.33Å; F45-V82 HydrophobicContact CE1-CG2 3.83Å; V82-Y85 HydrophobicContact CB-CE2 4.33Å; V82-Y85 HydrophobicContact CG1-CD2 3.85Å; V82-Y85 HydrophobicContact CG1-CE1 4.31Å; V82-Y85 HydrophobicContact CG1-CE2 3.51Å; V82-Y85 HydrophobicContact CG1-CG 4.38Å; V82-F102 HydrophobicContact CB-CE1 4.49Å; V82-F102 HydrophobicContact CG1-CD1 3.87Å; V82-F102 HydrophobicContact CG1-CE1 3.36Å; V82-F102 HydrophobicContact CG1-CE2 4.21Å; V82-F102 HydrophobicContact CG1-CG 4.48Å; V82-F102 HydrophobicContact CG1-CZ 3.57Å; V82-F102 HydrophobicContact CG2-CD1 4.05Å; V82-F102 HydrophobicContact CG2-CD2 4.02Å; V82-F102 HydrophobicContact CG2-CE1 4.28Å; V82-F102 HydrophobicContact CG2-CE2 4.27Å; V82-F102 HydrophobicContact CG2-CG 3.93Å; V82-F102 HydrophobicContact CG2-CZ 4.4Å; V82-D105 HydrophobicContact CB-CB 4.36Å; V82-D105 HydrophobicContact CG2-CB 3.99Å; V82-D105 PolarHBondContact N-OD2 3.46Å
83K95.6Very high91.5Very high28 Ų2838.3 Ų38.312%0.12221%0.205CC..  trans-109.8-36.7-177.1-173.2176.3-179.9-176.30112.1Y44 W58 K81 L282Y44-K83 PolarHBondContact O-N 3Å; W58-K83 HydrophobicContact CD2-CD 4.04Å; W58-K83 HydrophobicContact CD2-CG 4.12Å; W58-K83 HydrophobicContact CE3-CB 4.3Å; W58-K83 HydrophobicContact CE3-CD 3.65Å; W58-K83 HydrophobicContact CE3-CG 3.93Å; W58-K83 HydrophobicContact CH2-CB 3.68Å; W58-K83 HydrophobicContact CH2-CD 4.5Å; W58-K83 HydrophobicContact CH2-CG 3.92Å; W58-K83 HydrophobicContact CZ2-CB 4.3Å; W58-K83 HydrophobicContact CZ2-CG 4.15Å; W58-K83 HydrophobicContact CZ3-CB 3.71Å; W58-K83 HydrophobicContact CZ3-CD 3.92Å; W58-K83 HydrophobicContact CZ3-CG 3.84Å; K81-K83 PolarHBondContact O-N 3.28Å; K83-L282 HydrophobicContact CG-CD1 4.32Å
84Y97.5Very high92.7Very high33 Ų3332.2 Ų32.213%0.12917%0.172CC..SBendtrans-126130.1-179.5-50.4-72.8000108.8W43 Y44 L282 L289W43-Y84 VanDerWaalsContact O-CD2 3.29Å; W43-Y84 WeakPolarHBondContact O-CD2 3.4Å; Y44-Y84 VanDerWaalsContact CD1-O 3.26Å; Y44-Y84 WeakPolarHBondContact CD1-O 3.45Å; Y44-Y84 PolarHBondContact O-N 2.83Å; Y44-Y84 VanDerWaalsContact O-N 3.1Å; Y84-L282 HydrophobicContact CD1-CD1 4.18Å; Y84-L282 HydrophobicContact CE1-CD1 3.89Å; Y84-L289 HydrophobicContact CD1-CD1 4.27Å; Y84-L289 HydrophobicContact CD2-CD1 3.93Å; Y84-L289 HydrophobicContact CG-CD1 3.58Å
85Y97.8Very high93.5Very high22 Ų2232 Ų329%0.08617%0.168CC..  trans-94.4148.3179-76-110.3000109.9V82 F102 V106 F200 G201 A221 R293V82-Y85 HydrophobicContact CB-CE2 4.33Å; V82-Y85 HydrophobicContact CG1-CD2 3.85Å; V82-Y85 HydrophobicContact CG1-CE1 4.31Å; V82-Y85 HydrophobicContact CG1-CE2 3.51Å; V82-Y85 HydrophobicContact CG1-CG 4.38Å; Y85-F102 HydrophobicContact CD1-CD1 4.42Å; Y85-F102 HydrophobicContact CD1-CE1 4.01Å; Y85-F102 HydrophobicContact CE1-CD1 4.38Å; Y85-F102 HydrophobicContact CE1-CE1 4.32Å; Y85-F102 HydrophobicContact CG-CE1 4.3Å; Y85-V106 HydrophobicContact CE1-CG2 3.87Å; Y85-F200 HydrophobicContact CD1-CD1 4.23Å; Y85-F200 AromaticContact CD1-CE1 3.62Å; Y85-F200 HydrophobicContact CD1-CE1 3.62Å; Y85-F200 HydrophobicContact CD1-CE2 4.27Å; Y85-F200 AromaticContact CD1-CZ 3.64Å; Y85-F200 HydrophobicContact CD1-CZ 3.64Å; Y85-F200 HydrophobicContact CE1-CD2 4.49Å; Y85-F200 HydrophobicContact CE1-CE1 4.17Å; Y85-F200 HydrophobicContact CE1-CE2 4.02Å; Y85-F200 AromaticContact CE1-CZ 3.84Å; Y85-F200 HydrophobicContact CE1-CZ 3.84Å; Y85-G201 VanDerWaalsContact CG-CA 3.46Å; Y85-A221 WeakPolarHBondContact O-CB 3.27Å; Y85-R293 PolarHBondContact O-NH2 3.12Å
86P96.2Very high93.9Very high6 Ų633.1 Ų33.14%0.03917%0.168CC..  trans-65.7161.7165.828.9-32.7000111.7Y44 D88 P89 E92 L93 F102Y44-P86 HydrophobicContact CE1-CB 4.37Å; P86-D88 VanDerWaalsContact C-N 3.33Å; P86-P89 HydrophobicContact CG-CB 3.92Å; P86-P89 HydrophobicContact CG-CG 3.84Å; P86-E92 HydrophobicContact CB-CB 3.66Å; P86-E92 HydrophobicContact CB-CG 4.15Å; P86-E92 WeakPolarHBondContact CB-OE1 3.5Å; P86-L93 HydrophobicContact CG-CD2 3.99Å; P86-L93 HydrophobicContact CG-CG 4.1Å; P86-F102 HydrophobicContact CG-CE1 4.5Å
87E93.8Very high94.1Very high65 Ų6535 Ų3530%0.30418%0.18SC..SBendtrans-69.1-37.2166.3-63.5-175.6-157.200109.8E92 A221 L222 Y290 R294E87-E92 WeakPolarHBondContact CA-OE1 3.42Å; E87-E92 WeakPolarHBondContact CB-OE1 3.36Å; E87-E92 PolarHBondContact N-OE1 3.41Å; E87-A221 HydrophobicContact CG-CB 3.99Å; E87-L222 HydrophobicContact CB-CD2 4.37Å; E87-L222 HydrophobicContact CG-CD2 3.72Å; E87-L222 HydrophobicContact CG-CG 4.46Å; E87-L222 WeakPolarHBondContact OE2-CD2 3.38Å; E87-Y290 WeakPolarHBondContact OE1-CD2 3.39Å; E87-R294 IonicContact OE1-CZ 3.42Å; E87-R294 IonicContact OE1-NH1 3.69Å; E87-R294 PolarHBondContact OE1-NH1 3.25Å; E87-R294 IonicContact OE1-NH2 2.94Å; E87-R294 PolarHBondContact OE1-NH2 2.82Å; E87-R294 IonicContact OE2-NH2 2.94Å
88D93.6Very high94.3Very high47 Ų4729.8 Ų29.825%0.25116%0.155SC..  trans-137.4104173.8172.87.6000110.9P86 S90 T91 E92P86-D88 VanDerWaalsContact C-N 3.33Å; D88-S90 PolarHBondContact O-N 3.41Å; D88-S90 WeakPolarHBondContact OD1-CA 3.33Å; D88-S90 VanDerWaalsContact OD1-CB 3.28Å; D88-S90 WeakPolarHBondContact OD1-CB 3.29Å; D88-S90 PolarHBondContact OD1-N 2.96Å; D88-T91 WeakPolarHBondContact CB-OG1 3.19Å; D88-T91 PolarHBondContact O-N 3.18Å; D88-T91 PolarHBondContact OD1-N 3.42Å; D88-T91 WeakPolarHBondContact OD2-CB 3.45Å; D88-T91 WeakPolarHBondContact OD2-CG2 3.34Å; D88-T91 PolarHBondContact OD2-OG1 3.16Å; D88-E92 PolarHBondContact N-OE1 3.1Å; D88-E92 VanDerWaalsContact O-CB 3.28Å; D88-E92 WeakPolarHBondContact O-CB 3.34Å; D88-E92 WeakPolarHBondContact O-CG 3.39Å; D88-E92 PolarHBondContact O-N 2.92Å
89P94.3Very high94.5Very high3 Ų330.7 Ų30.72%0.01916%0.159CC..Hα-helixtrans-59.2-30.2177.7-18.928.6000114.3P86 T91 L93 L191 Q195 F200P86-P89 HydrophobicContact CG-CB 3.92Å; P86-P89 HydrophobicContact CG-CG 3.84Å; P89-T91 VanDerWaalsContact C-N 3.32Å; P89-T91 PolarHBondContact O-N 2.68Å; P89-L93 HydrophobicContact CB-CD1 3.93Å; P89-L93 HydrophobicContact CB-CG 4.3Å; P89-L93 WeakPolarHBondContact O-CB 3.46Å; P89-L93 WeakPolarHBondContact O-CG 3.29Å; P89-L93 PolarHBondContact O-N 3.03Å; P89-L191 HydrophobicContact CB-CB 4.45Å; P89-Q195 HydrophobicContact CG-CB 4.07Å; P89-F200 HydrophobicContact CG-CE1 3.85Å; P89-F200 HydrophobicContact CG-CZ 3.74Å
90S88.4Confident94.6Very high50 Ų5029.1 Ų29.135%0.3515%0.15SC..Hα-helixtrans-72.7-25.8-175.6-58.90000112.5D88D88-S90 PolarHBondContact O-N 3.41Å; D88-S90 WeakPolarHBondContact OD1-CA 3.33Å; D88-S90 VanDerWaalsContact OD1-CB 3.28Å; D88-S90 WeakPolarHBondContact OD1-CB 3.29Å; D88-S90 PolarHBondContact OD1-N 2.96Å
91T88.7Confident94.8Very high67 Ų6729.3 Ų29.341%0.41115%0.15SC..Hα-helixtrans-107.2-28.2178.557.60000113.8D88 P89D88-T91 WeakPolarHBondContact CB-OG1 3.19Å; D88-T91 PolarHBondContact O-N 3.18Å; D88-T91 PolarHBondContact OD1-N 3.42Å; D88-T91 WeakPolarHBondContact OD2-CB 3.45Å; D88-T91 WeakPolarHBondContact OD2-CG2 3.34Å; D88-T91 PolarHBondContact OD2-OG1 3.16Å; P89-T91 VanDerWaalsContact C-N 3.32Å; P89-T91 PolarHBondContact O-N 2.68Å
92E94Very high94.9Very high35 Ų3527.6 Ų27.616%0.16414%0.143CC..Hα-helixtrans-94.7-23.5-173.8-66.4-174.2-108.600114.9P86 E87 D88 I94 R293P86-E92 HydrophobicContact CB-CB 3.66Å; P86-E92 HydrophobicContact CB-CG 4.15Å; P86-E92 WeakPolarHBondContact CB-OE1 3.5Å; E87-E92 WeakPolarHBondContact CA-OE1 3.42Å; E87-E92 WeakPolarHBondContact CB-OE1 3.36Å; E87-E92 PolarHBondContact N-OE1 3.41Å; D88-E92 PolarHBondContact N-OE1 3.1Å; D88-E92 VanDerWaalsContact O-CB 3.28Å; D88-E92 WeakPolarHBondContact O-CB 3.34Å; D88-E92 WeakPolarHBondContact O-CG 3.39Å; D88-E92 PolarHBondContact O-N 2.92Å; E92-I94 PolarHBondContact O-N 2.96Å; E92-R293 IonicContact OE1-NE 3.46Å; E92-R293 WeakPolarHBondContact OE2-CD 3.29Å; E92-R293 IonicContact OE2-CZ 3.3Å; E92-R293 IonicContact OE2-NE 2.8Å; E92-R293 PolarHBondContact OE2-NE 3.46Å; E92-R293 IonicContact OE2-NH2 2.79Å
93L96.7Very high95Very high5 Ų527.3 Ų27.33%0.02614%0.14CC..  trans-87.8100.5177.5-58.1-176.8000110.1Y44 P86 P89 T98 R99 F102 L191Y44-L93 HydrophobicContact CD2-CD2 3.9Å; Y44-L93 HydrophobicContact CE2-CD2 3.52Å; P86-L93 HydrophobicContact CG-CD2 3.99Å; P86-L93 HydrophobicContact CG-CG 4.1Å; P89-L93 HydrophobicContact CB-CD1 3.93Å; P89-L93 HydrophobicContact CB-CG 4.3Å; P89-L93 WeakPolarHBondContact O-CB 3.46Å; P89-L93 WeakPolarHBondContact O-CG 3.29Å; P89-L93 PolarHBondContact O-N 3.03Å; L93-T98 HydrophobicContact CD2-CG2 3.92Å; L93-R99 HydrophobicContact CB-CG 3.6Å; L93-R99 HydrophobicContact CD1-CG 4.22Å; L93-R99 PolarHBondContact O-NH1 3.24Å; L93-F102 HydrophobicContact CD1-CB 4.01Å; L93-F102 HydrophobicContact CD1-CD1 3.97Å; L93-F102 HydrophobicContact CD1-CD2 3.83Å; L93-F102 HydrophobicContact CD1-CE1 4.37Å; L93-F102 HydrophobicContact CD1-CE2 4.24Å; L93-F102 HydrophobicContact CD1-CG 3.67Å; L93-F102 HydrophobicContact CD1-CZ 4.48Å; L93-F102 HydrophobicContact CD2-CD2 4.01Å; L93-F102 HydrophobicContact CD2-CE1 4.46Å; L93-F102 HydrophobicContact CD2-CE2 3.63Å; L93-F102 HydrophobicContact CD2-CZ 3.88Å; L93-L191 HydrophobicContact CD1-CD1 3.97Å
94I95.4Very high95Very high14 Ų1427.9 Ų27.97%0.07214%0.142CC..  trans-88.4-39.7-169.7-58.6157.3000111.4E41 E92 R99 V301 M304 K305 A308E41-I94 PolarHBondContact OE1-N 3.27Å; E41-I94 PolarHBondContact OE2-N 3.12Å; E92-I94 PolarHBondContact O-N 2.96Å; I94-R99 PolarHBondContact O-NH1 3.48Å; I94-V301 HydrophobicContact CD1-CG1 3.74Å; I94-M304 HydrophobicContact CD1-CB 4.38Å; I94-M304 HydrophobicContact CG2-CB 3.82Å; I94-M304 WeakPolarHBondContact CG2-O 3.38Å; I94-K305 HydrophobicContact CD1-CD 4.32Å; I94-K305 HydrophobicContact CD1-CG 3.59Å; I94-K305 HydrophobicContact CG1-CG 3.87Å; I94-K305 HydrophobicContact CG2-CG 4.33Å; I94-A308 HydrophobicContact CG2-CB 3.64Å
95D94Very high95Very high10 Ų1026.7 Ų26.75%0.05314%0.138CC..  trans-87.7132.9-173.8-166.172.2000111.3R40 E41 T97 T98 R99R40-D95 IonicContact CZ-OD1 2.56Å; R40-D95 VanDerWaalsContact CZ-OD1 3.29Å; R40-D95 IonicContact NE-OD1 3.18Å; R40-D95 PolarHBondContact NE-OD1 2.8Å; R40-D95 IonicContact NH2-OD1 2.66Å; R40-D95 PolarHBondContact NH2-OD1 3.2Å; E41-D95 HydrophobicContact CG-CB 4.26Å; E41-D95 WeakPolarHBondContact OE2-CB 3.41Å; E41-D95 PolarHBondContact OE2-N 3.03Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.17Å; D95-T97 VanDerWaalsContact OD2-CB 3.29Å; D95-T97 WeakPolarHBondContact OD2-CB 3.41Å; D95-T97 PolarHBondContact OD2-N 3.2Å; D95-T98 WeakPolarHBondContact O-CB 3.49Å; D95-T98 PolarHBondContact O-N 3.04Å; D95-R99 PolarHBondContact O-N 3.07Å
96E93.9Very high95Very high82 Ų8225.7 Ų25.738%0.38313%0.134SC..Hα-helixtrans-60.4-40.7-178.8176.7172.2176.200112R99 L100 D184 R315E96-R99 PolarHBondContact O-N 3.13Å; E96-L100 WeakPolarHBondContact O-CB 3.41Å; E96-L100 PolarHBondContact O-N 3.02Å; E96-D184 HydrophobicContact CG-CB 4.16Å; E96-R315 IonicContact OE2-NH1 3.86Å; E96-R315 PolarHBondContact OE2-NH1 3.35Å
97T94.8Very high95Very high41 Ų4126 Ų2625%0.25214%0.135SC..Hα-helixtrans-63.3-44.5175.9-47.90000111L37 I39 D95 R99 L100 Y101L37-T97 VanDerWaalsContact O-CG2 3.29Å; L37-T97 WeakPolarHBondContact O-CG2 3.36Å; I39-T97 HydrophobicContact CG1-CG2 3.75Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.17Å; D95-T97 VanDerWaalsContact OD2-CB 3.29Å; D95-T97 WeakPolarHBondContact OD2-CB 3.41Å; D95-T97 PolarHBondContact OD2-N 3.2Å; T97-R99 PolarHBondContact O-N 3.21Å; T97-L100 PolarHBondContact O-N 3.45Å; T97-Y101 HydrophobicContact CG2-CD2 3.98Å; T97-Y101 HydrophobicContact CG2-CE2 3.88Å; T97-Y101 WeakPolarHBondContact O-CD2 3.27Å; T97-Y101 PolarHBondContact O-N 3.4Å; T97-Y101 VanDerWaalsContact O-N 3.09Å
98T96.5Very high95.1Very high0 Ų025.3 Ų25.30%013%0.133CC..Hα-helixtrans-56-50.9174.4-59.80000110.8E41 Y44 F45 L93 D95 L100 Y101 F102E41-T98 HydrophobicContact CB-CG2 4.16Å; E41-T98 WeakPolarHBondContact CB-OG1 3.43Å; E41-T98 WeakPolarHBondContact OE2-CB 3.49Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.39Å; E41-T98 PolarHBondContact OE2-OG1 3.49Å; Y44-T98 HydrophobicContact CD2-CG2 4.1Å; F45-T98 HydrophobicContact CE2-CG2 3.94Å; F45-T98 HydrophobicContact CZ-CG2 4.13Å; L93-T98 HydrophobicContact CD2-CG2 3.92Å; D95-T98 WeakPolarHBondContact O-CB 3.49Å; D95-T98 PolarHBondContact O-N 3.04Å; T98-L100 VanDerWaalsContact C-N 3.28Å; T98-L100 PolarHBondContact O-N 2.87Å; T98-Y101 PolarHBondContact O-N 2.98Å; T98-F102 HydrophobicContact CG2-CD2 3.73Å; T98-F102 HydrophobicContact CG2-CE2 3.8Å; T98-F102 WeakPolarHBondContact O-CD2 3.34Å; T98-F102 PolarHBondContact O-N 3Å
99R96.9Very high95.3Very high21 Ų2124.1 Ų24.18%0.07913%0.127CC..Hα-helixtrans-56.6-43.2178.6-74.9-167.3-67.1-82.4-0.5111.8L93 I94 D95 E96 T97 Y101 F102 Y103 D184 V187 L191L93-R99 HydrophobicContact CB-CG 3.6Å; L93-R99 HydrophobicContact CD1-CG 4.22Å; L93-R99 PolarHBondContact O-NH1 3.24Å; I94-R99 PolarHBondContact O-NH1 3.48Å; D95-R99 PolarHBondContact O-N 3.07Å; E96-R99 PolarHBondContact O-N 3.13Å; T97-R99 PolarHBondContact O-N 3.21Å; R99-Y101 PolarHBondContact O-N 3.1Å; R99-F102 WeakPolarHBondContact O-CB 3.4Å; R99-F102 PolarHBondContact O-N 3.37Å; R99-Y103 PolarHBondContact O-N 2.98Å; R99-D184 IonicContact CZ-OD1 3.71Å; R99-D184 IonicContact CZ-OD2 3.14Å; R99-D184 IonicContact NE-OD1 3.81Å; R99-D184 PolarHBondContact NE-OD1 2.66Å; R99-D184 IonicContact NH2-OD1 2.65Å; R99-D184 PolarHBondContact NH2-OD1 3.08Å; R99-D184 IonicContact NH2-OD2 2.89Å; R99-D184 PolarHBondContact NH2-OD2 3.06Å; R99-V187 HydrophobicContact CB-CG1 3.71Å; R99-V187 WeakPolarHBondContact O-CG1 3.46Å; R99-L191 HydrophobicContact CB-CD1 4.31Å
100L95.7Very high95.5Very high26 Ų2624.4 Ų24.414%0.13613%0.128CC..Hα-helixtrans-60.6-45179-176.564000112.3E96 T97 T98 Y103 Y104 V187E96-L100 WeakPolarHBondContact O-CB 3.41Å; E96-L100 PolarHBondContact O-N 3.02Å; T97-L100 PolarHBondContact O-N 3.45Å; T98-L100 VanDerWaalsContact C-N 3.28Å; T98-L100 PolarHBondContact O-N 2.87Å; L100-Y103 HydrophobicContact CD1-CD1 4.06Å; L100-Y103 WeakPolarHBondContact O-CB 3.44Å; L100-Y103 PolarHBondContact O-N 3.48Å; L100-Y104 HydrophobicContact CD1-CE1 4.19Å; L100-Y104 HydrophobicContact CD1-CE2 4.15Å; L100-Y104 HydrophobicContact CD2-CE2 4.12Å; L100-Y104 HydrophobicContact CG-CD2 4.34Å; L100-Y104 HydrophobicContact CG-CE2 3.68Å; L100-Y104 WeakPolarHBondContact O-CD2 3.43Å; L100-Y104 PolarHBondContact O-N 2.92Å; L100-V187 HydrophobicContact CD1-CG2 4.04Å
101Y96.1Very high95.9Very high16 Ų1623.3 Ų23.36%0.06312%0.119CC..Hα-helixtrans-70.3-32.1176.9-81.4-79.1000113.1D13 L37 I39 T97 T98 R99 Y104 D105D13-Y101 PolarHBondContact OD1-OH 3.33Å; D13-Y101 PolarHBondContact OD2-OH 3.41Å; L37-Y101 HydrophobicContact CB-CE2 4.23Å; L37-Y101 HydrophobicContact CD1-CE1 4.15Å; L37-Y101 HydrophobicContact CD1-CE2 4.21Å; L37-Y101 WeakPolarHBondContact CD2-OH 3.37Å; I39-Y101 HydrophobicContact CD1-CD2 3.62Å; I39-Y101 HydrophobicContact CD1-CE2 3.97Å; I39-Y101 HydrophobicContact CD1-CG 4.05Å; I39-Y101 HydrophobicContact CG1-CD2 3.94Å; I39-Y101 HydrophobicContact CG1-CE2 4.21Å; T97-Y101 HydrophobicContact CG2-CD2 3.98Å; T97-Y101 HydrophobicContact CG2-CE2 3.88Å; T97-Y101 WeakPolarHBondContact O-CD2 3.27Å; T97-Y101 PolarHBondContact O-N 3.4Å; T97-Y101 VanDerWaalsContact O-N 3.09Å; T98-Y101 PolarHBondContact O-N 2.98Å; R99-Y101 PolarHBondContact O-N 3.1Å; Y101-Y104 HydrophobicContact CD1-CD2 4.09Å; Y101-Y104 HydrophobicContact CE1-CD2 4.35Å; Y101-Y104 PolarHBondContact O-N 3.39Å; Y101-D105 PolarHBondContact O-N 2.89Å
102F97.7Very high96.3Very high0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-59.9-49.8168.6-97.3-96.2000111.4Y44 F45 V82 Y85 P86 L93 T98 R99 Y104 D105 V106 L191Y44-F102 HydrophobicContact CD1-CE2 4.45Å; Y44-F102 AromaticContact CD1-CZ 3.99Å; Y44-F102 HydrophobicContact CD1-CZ 3.99Å; Y44-F102 AromaticContact CD2-CE2 3.94Å; Y44-F102 HydrophobicContact CD2-CE2 3.94Å; Y44-F102 HydrophobicContact CD2-CZ 4.27Å; Y44-F102 AromaticContact CG-CE2 3.75Å; Y44-F102 HydrophobicContact CG-CE2 3.75Å; Y44-F102 AromaticContact CG-CZ 3.73Å; Y44-F102 HydrophobicContact CG-CZ 3.73Å; F45-F102 HydrophobicContact CZ-CD2 4.07Å; F45-F102 HydrophobicContact CZ-CE2 4.2Å; V82-F102 HydrophobicContact CB-CE1 4.49Å; V82-F102 HydrophobicContact CG1-CD1 3.87Å; V82-F102 HydrophobicContact CG1-CE1 3.36Å; V82-F102 HydrophobicContact CG1-CE2 4.21Å; V82-F102 HydrophobicContact CG1-CG 4.48Å; V82-F102 HydrophobicContact CG1-CZ 3.57Å; V82-F102 HydrophobicContact CG2-CD1 4.05Å; V82-F102 HydrophobicContact CG2-CD2 4.02Å; V82-F102 HydrophobicContact CG2-CE1 4.28Å; V82-F102 HydrophobicContact CG2-CE2 4.27Å; V82-F102 HydrophobicContact CG2-CG 3.93Å; V82-F102 HydrophobicContact CG2-CZ 4.4Å; Y85-F102 HydrophobicContact CD1-CD1 4.42Å; Y85-F102 HydrophobicContact CD1-CE1 4.01Å; Y85-F102 HydrophobicContact CE1-CD1 4.38Å; Y85-F102 HydrophobicContact CE1-CE1 4.32Å; Y85-F102 HydrophobicContact CG-CE1 4.3Å; P86-F102 HydrophobicContact CG-CE1 4.5Å; L93-F102 HydrophobicContact CD1-CB 4.01Å; L93-F102 HydrophobicContact CD1-CD1 3.97Å; L93-F102 HydrophobicContact CD1-CD2 3.83Å; L93-F102 HydrophobicContact CD1-CE1 4.37Å; L93-F102 HydrophobicContact CD1-CE2 4.24Å; L93-F102 HydrophobicContact CD1-CG 3.67Å; L93-F102 HydrophobicContact CD1-CZ 4.48Å; L93-F102 HydrophobicContact CD2-CD2 4.01Å; L93-F102 HydrophobicContact CD2-CE1 4.46Å; L93-F102 HydrophobicContact CD2-CE2 3.63Å; L93-F102 HydrophobicContact CD2-CZ 3.88Å; T98-F102 HydrophobicContact CG2-CD2 3.73Å; T98-F102 HydrophobicContact CG2-CE2 3.8Å; T98-F102 WeakPolarHBondContact O-CD2 3.34Å; T98-F102 PolarHBondContact O-N 3Å; R99-F102 WeakPolarHBondContact O-CB 3.4Å; R99-F102 PolarHBondContact O-N 3.37Å; F102-Y104 VanDerWaalsContact C-N 3.32Å; F102-Y104 PolarHBondContact O-N 3.31Å; F102-D105 PolarHBondContact O-N 3.46Å; F102-V106 WeakPolarHBondContact O-CB 3.48Å; F102-V106 VanDerWaalsContact O-CG2 3.26Å; F102-V106 WeakPolarHBondContact O-CG2 3.4Å; F102-V106 PolarHBondContact O-N 2.69Å; F102-L191 HydrophobicContact CB-CD1 3.96Å; F102-L191 HydrophobicContact CB-CD2 4.18Å
103Y97.3Very high96.4Very high2 Ų224.1 Ų24.11%0.00814%0.137CC..Hα-helixtrans-55-47.2176.1151.7-102.8000111.6R99 L100 D105 V106 K107 Q129 I132 V187 Y190R99-Y103 PolarHBondContact O-N 2.98Å; L100-Y103 HydrophobicContact CD1-CD1 4.06Å; L100-Y103 WeakPolarHBondContact O-CB 3.44Å; L100-Y103 PolarHBondContact O-N 3.48Å; Y103-D105 VanDerWaalsContact C-N 3.34Å; Y103-D105 PolarHBondContact O-N 3.28Å; Y103-V106 PolarHBondContact O-N 2.77Å; Y103-K107 HydrophobicContact CD2-CB 4.23Å; Y103-K107 HydrophobicContact CE1-CD 4.43Å; Y103-K107 HydrophobicContact CE2-CB 4.02Å; Y103-K107 HydrophobicContact CE2-CD 3.86Å; Y103-K107 HydrophobicContact CE2-CG 4.1Å; Y103-K107 WeakPolarHBondContact O-CB 3.39Å; Y103-K107 PolarHBondContact O-N 2.82Å; Y103-Q129 HydrophobicContact CE2-CB 4.5Å; Y103-Q129 WeakPolarHBondContact OH-CG 3.47Å; Y103-I132 HydrophobicContact CD1-CD1 4.39Å; Y103-I132 HydrophobicContact CD1-CG2 4.45Å; Y103-I132 HydrophobicContact CD2-CD1 3.94Å; Y103-I132 HydrophobicContact CE1-CD1 4.03Å; Y103-I132 HydrophobicContact CE1-CG2 3.69Å; Y103-I132 HydrophobicContact CE2-CD1 3.57Å; Y103-I132 HydrophobicContact CG-CD1 4.31Å; Y103-V187 HydrophobicContact CD1-CG2 4.3Å; Y103-V187 HydrophobicContact CG-CG2 4.26Å; Y103-Y190 AromaticContact CD2-CD1 3.67Å; Y103-Y190 HydrophobicContact CD2-CD1 3.67Å; Y103-Y190 AromaticContact CD2-CD2 3.96Å; Y103-Y190 HydrophobicContact CD2-CD2 3.96Å; Y103-Y190 AromaticContact CD2-CE1 3.95Å; Y103-Y190 HydrophobicContact CD2-CE1 3.95Å; Y103-Y190 HydrophobicContact CD2-CE2 4.21Å; Y103-Y190 AromaticContact CD2-CG 3.71Å; Y103-Y190 HydrophobicContact CD2-CG 3.71Å; Y103-Y190 HydrophobicContact CE2-CD1 4.31Å; Y103-Y190 AromaticContact CE2-CD2 3.8Å; Y103-Y190 HydrophobicContact CE2-CD2 3.8Å; Y103-Y190 HydrophobicContact CE2-CE1 4.37Å; Y103-Y190 AromaticContact CE2-CE2 3.86Å; Y103-Y190 HydrophobicContact CE2-CE2 3.86Å; Y103-Y190 HydrophobicContact CE2-CG 4.05Å
104Y96.6Very high96.3Very high41 Ų4129.7 Ų29.716%0.16116%0.161CC..Hα-helixtrans-59.9-42.8-178.4-67.7-42.6000113.3K12 D13 L100 Y101 F102 D108K12-Y104 HydrophobicContact CB-CD2 3.65Å; K12-Y104 HydrophobicContact CB-CE2 4.33Å; K12-Y104 HydrophobicContact CB-CG 3.81Å; K12-Y104 HydrophobicContact CG-CD2 4.3Å; K12-Y104 HydrophobicContact CG-CG 4.23Å; D13-Y104 HydrophobicContact CB-CE2 4.45Å; L100-Y104 HydrophobicContact CD1-CE1 4.19Å; L100-Y104 HydrophobicContact CD1-CE2 4.15Å; L100-Y104 HydrophobicContact CD2-CE2 4.12Å; L100-Y104 HydrophobicContact CG-CD2 4.34Å; L100-Y104 HydrophobicContact CG-CE2 3.68Å; L100-Y104 WeakPolarHBondContact O-CD2 3.43Å; L100-Y104 PolarHBondContact O-N 2.92Å; Y101-Y104 HydrophobicContact CD1-CD2 4.09Å; Y101-Y104 HydrophobicContact CE1-CD2 4.35Å; Y101-Y104 PolarHBondContact O-N 3.39Å; F102-Y104 VanDerWaalsContact C-N 3.32Å; F102-Y104 PolarHBondContact O-N 3.31Å; Y104-D108 WeakPolarHBondContact O-CB 3.38Å; Y104-D108 PolarHBondContact O-N 3.14Å; Y104-D108 VanDerWaalsContact O-N 3.13Å
105D96.4Very high96.4Very high8 Ų829.4 Ų29.44%0.04316%0.159CC..Hα-helixtrans-72-43.5179.5-91.8-10.4000112.4K12 K81 V82 Y101 F102 Y103 K107 D108 D109K12-D105 WeakPolarHBondContact CE-OD1 3.35Å; K12-D105 IonicContact NZ-OD1 2.84Å; K81-D105 VanDerWaalsContact CA-OD2 3.27Å; K81-D105 WeakPolarHBondContact CA-OD2 3.47Å; K81-D105 WeakPolarHBondContact CD-OD1 3.2Å; K81-D105 VanDerWaalsContact CD-OD2 3.24Å; K81-D105 WeakPolarHBondContact CD-OD2 3.45Å; K81-D105 IonicContact NZ-OD1 3.46Å; K81-D105 PolarHBondContact NZ-OD1 2.93Å; V82-D105 HydrophobicContact CB-CB 4.36Å; V82-D105 HydrophobicContact CG2-CB 3.99Å; V82-D105 PolarHBondContact N-OD2 3.46Å; Y101-D105 PolarHBondContact O-N 2.89Å; F102-D105 PolarHBondContact O-N 3.46Å; Y103-D105 VanDerWaalsContact C-N 3.34Å; Y103-D105 PolarHBondContact O-N 3.28Å; D105-K107 PolarHBondContact O-N 2.76Å; D105-D108 PolarHBondContact O-N 2.8Å; D105-D109 WeakPolarHBondContact O-CB 3.44Å; D105-D109 PolarHBondContact O-N 3.06Å
106V97.8Very high96.6Very high0 Ų029.8 Ų29.80%016%0.16CC..Hα-helixtrans-61.9-45.9177.3173.80000110.5Y85 F102 Y103 D108 D109 I110 Y190 L191 A194 F200Y85-V106 HydrophobicContact CE1-CG2 3.87Å; F102-V106 WeakPolarHBondContact O-CB 3.48Å; F102-V106 VanDerWaalsContact O-CG2 3.26Å; F102-V106 WeakPolarHBondContact O-CG2 3.4Å; F102-V106 PolarHBondContact O-N 2.69Å; Y103-V106 PolarHBondContact O-N 2.77Å; V106-D108 VanDerWaalsContact C-N 3.34Å; V106-D108 PolarHBondContact O-N 2.76Å; V106-D109 PolarHBondContact O-N 3.1Å; V106-I110 HydrophobicContact CG1-CD1 3.82Å; V106-I110 HydrophobicContact CG1-CG1 4.46Å; V106-I110 WeakPolarHBondContact O-CG1 3.37Å; V106-I110 PolarHBondContact O-N 3.35Å; V106-Y190 HydrophobicContact CG1-CE1 4.06Å; V106-L191 HydrophobicContact CB-CD2 4.36Å; V106-L191 HydrophobicContact CG2-CD2 4.07Å; V106-A194 HydrophobicContact CG1-CB 3.76Å; V106-F200 HydrophobicContact CB-CE2 4.47Å; V106-F200 HydrophobicContact CG1-CD2 4.1Å; V106-F200 HydrophobicContact CG1-CE2 3.91Å; V106-F200 HydrophobicContact CG2-CD2 4.34Å; V106-F200 HydrophobicContact CG2-CE2 3.64Å; V106-F200 HydrophobicContact CG2-CZ 4.43Å
107K97.3Very high96.7Very high13 Ų1326.3 Ų26.36%0.05714%0.144CC..Hα-helixtrans-59.4-43.3177.6-178.2-151.869.359.70112.1Y103 D105 I110 V111 Q129 Y190Y103-K107 HydrophobicContact CD2-CB 4.23Å; Y103-K107 HydrophobicContact CE1-CD 4.43Å; Y103-K107 HydrophobicContact CE2-CB 4.02Å; Y103-K107 HydrophobicContact CE2-CD 3.86Å; Y103-K107 HydrophobicContact CE2-CG 4.1Å; Y103-K107 WeakPolarHBondContact O-CB 3.39Å; Y103-K107 PolarHBondContact O-N 2.82Å; D105-K107 PolarHBondContact O-N 2.76Å; K107-I110 PolarHBondContact O-N 3.22Å; K107-V111 WeakPolarHBondContact O-CB 3.43Å; K107-V111 VanDerWaalsContact O-CG2 3.28Å; K107-V111 WeakPolarHBondContact O-CG2 3.49Å; K107-V111 PolarHBondContact O-N 3.48Å; K107-Q129 HydrophobicContact CD-CG 4.13Å; K107-Y190 VanDerWaalsContact CA-OH 3.28Å; K107-Y190 WeakPolarHBondContact CA-OH 3.32Å; K107-Y190 HydrophobicContact CB-CE1 4.29Å; K107-Y190 WeakPolarHBondContact CB-OH 3.09Å
108D96Very high96.8Very high51 Ų5124.6 Ų24.627%0.27313%0.134SC..Hα-helixtrans-67-39.2176.9-79.1-4.8000112.2K12 Y104 D105 V106 I110 S112K12-D108 WeakPolarHBondContact CD-OD2 3.33Å; K12-D108 WeakPolarHBondContact CE-OD2 3.48Å; K12-D108 IonicContact NZ-OD2 3.61Å; K12-D108 PolarHBondContact NZ-OD2 3.22Å; Y104-D108 WeakPolarHBondContact O-CB 3.38Å; Y104-D108 PolarHBondContact O-N 3.14Å; Y104-D108 VanDerWaalsContact O-N 3.13Å; D105-D108 PolarHBondContact O-N 2.8Å; V106-D108 VanDerWaalsContact C-N 3.34Å; V106-D108 PolarHBondContact O-N 2.76Å; D108-I110 VanDerWaalsContact C-N 3.33Å; D108-I110 PolarHBondContact O-N 2.97Å; D108-S112 WeakPolarHBondContact O-CB 3.35Å; D108-S112 PolarHBondContact O-N 3.34Å; D108-S112 PolarHBondContact O-OG 3Å
109D97.2Very high96.8Very high22 Ų2224.6 Ų24.612%0.11813%0.134CC..Hα-helixtrans-65.4-35.7176.3-77.8-5.7000111.7D105 V106 S112 G113 K114 I115D105-D109 WeakPolarHBondContact O-CB 3.44Å; D105-D109 PolarHBondContact O-N 3.06Å; V106-D109 PolarHBondContact O-N 3.1Å; D109-S112 WeakPolarHBondContact CA-OG 3.45Å; D109-S112 PolarHBondContact O-OG 3.36Å; D109-G113 PolarHBondContact O-N 2.79Å; D109-K114 HydrophobicContact CB-CB 4.36Å; D109-K114 HydrophobicContact CB-CD 4.31Å; D109-K114 VanDerWaalsContact CG-NZ 3.27Å; D109-K114 WeakPolarHBondContact O-CA 3.39Å; D109-K114 WeakPolarHBondContact O-CB 3.42Å; D109-K114 PolarHBondContact O-N 2.79Å; D109-K114 WeakPolarHBondContact OD1-CD 3.29Å; D109-K114 IonicContact OD1-NZ 3.37Å; D109-K114 PolarHBondContact OD1-NZ 2.71Å; D109-K114 IonicContact OD2-NZ 2.75Å; D109-K114 PolarHBondContact OD2-NZ 3.28Å; D109-I115 HydrophobicContact CB-CD1 3.64Å; D109-I115 HydrophobicContact CB-CG1 3.92Å; D109-I115 PolarHBondContact O-N 2.92Å
110I98.3Very high96.8Very high9 Ų924.4 Ų24.45%0.04613%0.134CC..Hα-helixtrans-70.7-51.2174.3-69.2171.8000111.4V106 K107 D108 S112 G113 I115 C117 L125 Y190 A194 L197V106-I110 HydrophobicContact CG1-CD1 3.82Å; V106-I110 HydrophobicContact CG1-CG1 4.46Å; V106-I110 WeakPolarHBondContact O-CG1 3.37Å; V106-I110 PolarHBondContact O-N 3.35Å; K107-I110 PolarHBondContact O-N 3.22Å; D108-I110 VanDerWaalsContact C-N 3.33Å; D108-I110 PolarHBondContact O-N 2.97Å; I110-S112 VanDerWaalsContact C-N 3.29Å; I110-S112 PolarHBondContact O-N 2.94Å; I110-G113 PolarHBondContact O-N 3.07Å; I110-I115 HydrophobicContact CG1-CB 3.89Å; I110-I115 HydrophobicContact CG1-CD1 4.42Å; I110-I115 HydrophobicContact CG1-CG2 3.84Å; I110-C117 HydrophobicContact CG2-CB 3.79Å; I110-L125 HydrophobicContact CD1-CD1 3.71Å; I110-Y190 HydrophobicContact CD1-CE1 4.43Å; I110-A194 HydrophobicContact CD1-CB 4.19Å; I110-L197 HydrophobicContact CD1-CD1 3.68Å; I110-L197 HydrophobicContact CG1-CD1 4.14Å
111V97.6Very high96.9Very high27 Ų2723.7 Ų23.716%0.16413%0.131CC..Hα-helixtrans-65.6-33.6-177.3173.50000111.8K107 G113 Y151 S153K107-V111 WeakPolarHBondContact O-CB 3.43Å; K107-V111 VanDerWaalsContact O-CG2 3.28Å; K107-V111 WeakPolarHBondContact O-CG2 3.49Å; K107-V111 PolarHBondContact O-N 3.48Å; V111-G113 PolarHBondContact O-N 2.94Å; V111-Y151 WeakPolarHBondContact CG2-O 2.92Å; V111-S153 WeakPolarHBondContact O-CA 3.37Å; V111-S153 WeakPolarHBondContact O-CB 3.44Å
112S96.1Very high96.9Very high85 Ų8523.2 Ų23.259%0.59413%0.131SC*.THydrogen-bonded Turntrans-73.6-10.1173.6630000114D108 D109 I110 K114D108-S112 WeakPolarHBondContact O-CB 3.35Å; D108-S112 PolarHBondContact O-N 3.34Å; D108-S112 PolarHBondContact O-OG 3Å; D109-S112 WeakPolarHBondContact CA-OG 3.45Å; D109-S112 PolarHBondContact O-OG 3.36Å; I110-S112 VanDerWaalsContact C-N 3.29Å; I110-S112 PolarHBondContact O-N 2.94Å; S112-K114 VanDerWaalsContact C-N 3.3Å
113G95.6Very high96.9Very high33 Ų3323.2 Ų23.234%0.3413%0.131SC..THydrogen-bonded Turntrans77.810.1-176.200000114.4D109 I110 V111D109-G113 PolarHBondContact O-N 2.79Å; I110-G113 PolarHBondContact O-N 3.07Å; V111-G113 PolarHBondContact O-N 2.94Å
114K95.8Very high96.9Very high123 Ų12323.1 Ų23.154%0.53513%0.13SC..SBendtrans-68.8-37.8173.7176.1-178.7162.4-146.80111.6D109 S112 M199D109-K114 HydrophobicContact CB-CB 4.36Å; D109-K114 HydrophobicContact CB-CD 4.31Å; D109-K114 VanDerWaalsContact CG-NZ 3.27Å; D109-K114 WeakPolarHBondContact O-CA 3.39Å; D109-K114 WeakPolarHBondContact O-CB 3.42Å; D109-K114 PolarHBondContact O-N 2.79Å; D109-K114 WeakPolarHBondContact OD1-CD 3.29Å; D109-K114 IonicContact OD1-NZ 3.37Å; D109-K114 PolarHBondContact OD1-NZ 2.71Å; D109-K114 IonicContact OD2-NZ 2.75Å; D109-K114 PolarHBondContact OD2-NZ 3.28Å; S112-K114 VanDerWaalsContact C-N 3.3Å; K114-M199 WeakPolarHBondContact O-CE 3.45Å
115I97.5Very high96.9Very high7 Ų721.3 Ų21.34%0.03612%0.123CC..SBendtrans-99.4121.4167.3-68.9170.5000106.9D109 I110 C117 L197 M199D109-I115 HydrophobicContact CB-CD1 3.64Å; D109-I115 HydrophobicContact CB-CG1 3.92Å; D109-I115 PolarHBondContact O-N 2.92Å; I110-I115 HydrophobicContact CG1-CB 3.89Å; I110-I115 HydrophobicContact CG1-CD1 4.42Å; I110-I115 HydrophobicContact CG1-CG2 3.84Å; I115-C117 PolarHBondContact O-N 2.69Å; I115-L197 HydrophobicContact CG2-CB 4.12Å; I115-L197 HydrophobicContact CG2-CD1 3.71Å; I115-M199 HydrophobicContact CG2-CB 4.36Å
116Y97.1Very high96.9Very high19 Ų1921 Ų218%0.07512%0.121CC..  trans-60.9134.8170.6179-101.1000110.3P118 L233 I507 D508 Y511Y116-P118 HydrophobicContact CE1-CB 4.49Å; Y116-L233 HydrophobicContact CD1-CD1 4.42Å; Y116-L233 HydrophobicContact CD1-CD2 3.81Å; Y116-L233 HydrophobicContact CG-CD2 3.98Å; Y116-I507 HydrophobicContact CD2-CB 4.4Å; Y116-I507 HydrophobicContact CD2-CD1 3.8Å; Y116-I507 HydrophobicContact CD2-CG1 3.77Å; Y116-I507 HydrophobicContact CD2-CG2 3.79Å; Y116-I507 HydrophobicContact CE2-CG1 4.22Å; Y116-I507 HydrophobicContact CE2-CG2 3.84Å; Y116-I507 HydrophobicContact CG-CD1 3.93Å; Y116-I507 HydrophobicContact CG-CG1 4.07Å; Y116-D508 WeakPolarHBondContact CE2-OD1 3.49Å; Y116-D508 PolarHBondContact OH-OD1 3.43Å; Y116-Y511 HydrophobicContact CD1-CD2 4.31Å; Y116-Y511 HydrophobicContact CD1-CG 4.48Å; Y116-Y511 HydrophobicContact CE1-CD1 4Å; Y116-Y511 AromaticContact CE1-CD2 3.65Å; Y116-Y511 HydrophobicContact CE1-CD2 3.65Å; Y116-Y511 HydrophobicContact CE1-CE2 4.34Å; Y116-Y511 AromaticContact CE1-CG 3.46Å; Y116-Y511 HydrophobicContact CE1-CG 3.46Å; Y116-Y511 VanDerWaalsContact CE1-CG 3.46Å
117C97.6Very high96.8Very high8 Ų821 Ų215%0.05412%0.121CC..  trans-145.1118.7178.4-1720000108.9I110 I115 A122 L197I110-C117 HydrophobicContact CG2-CB 3.79Å; I115-C117 PolarHBondContact O-N 2.69Å; C117-A122 PolarHBondContact SG-N 2.67Å; C117-L197 HydrophobicContact CB-CD1 4.18Å; C117-L197 HydrophobicContact CB-CD2 4.4Å
118P96.3Very high96.7Very high5 Ų520.3 Ų20.33%0.03212%0.119CC..  trans-66.5156176.631.3-37000110.4Y116 E120 T121 A122 Y511Y116-P118 HydrophobicContact CE1-CB 4.49Å; P118-E120 PolarHBondContact O-N 3Å; P118-T121 PolarHBondContact O-N 2.68Å; P118-A122 WeakPolarHBondContact O-CB 3.39Å; P118-A122 PolarHBondContact O-N 3.13Å; P118-Y511 HydrophobicContact CB-CD1 4.22Å; P118-Y511 HydrophobicContact CB-CE1 3.63Å; P118-Y511 HydrophobicContact CG-CE1 3.91Å; P118-Y511 HydrophobicContact CG-CE2 4.47Å
119A96.5Very high96.6Very high1 Ų117.9 Ų17.91%0.00811%0.106CC..Hα-helixtrans-62.7-40.3-167.700000113.7T121 A122 V123 V156 Y160 L495A119-T121 VanDerWaalsContact C-N 3.31Å; A119-T121 PolarHBondContact O-N 3.18Å; A119-A122 PolarHBondContact O-N 2.93Å; A119-V123 WeakPolarHBondContact O-CG2 3.49Å; A119-V123 PolarHBondContact O-N 3.43Å; A119-V156 HydrophobicContact CB-CG1 3.84Å; A119-Y160 HydrophobicContact CB-CD2 4.35Å; A119-Y160 HydrophobicContact CB-CE1 4.37Å; A119-Y160 HydrophobicContact CB-CE2 3.4Å; A119-Y160 VanDerWaalsContact CB-CE2 3.4Å; A119-Y160 WeakPolarHBondContact CB-OH 3.5Å; A119-L495 HydrophobicContact CB-CD1 3.85Å
120E96Very high96.4Very high16 Ų1619.6 Ų19.68%0.07511%0.111CC..Hα-helixtrans-59.5-4317761.4-86-154.700111.8P118 L124 L488 L491 R492 L495P118-E120 PolarHBondContact O-N 3Å; E120-L124 PolarHBondContact O-N 3.42Å; E120-L124 VanDerWaalsContact O-N 3.16Å; E120-L488 HydrophobicContact CB-CD2 4.38Å; E120-L488 HydrophobicContact CG-CD2 4.14Å; E120-L491 HydrophobicContact CB-CB 3.82Å; E120-L491 WeakPolarHBondContact O-CD1 3.35Å; E120-R492 HydrophobicContact CB-CB 4.15Å; E120-R492 HydrophobicContact CG-CB 4.14Å; E120-L495 HydrophobicContact CB-CD1 4.47Å
121T97.2Very high96.1Very high12 Ų1220 Ų207%0.07411%0.113CC..Hα-helixtrans-70.7-38.9176.9-54.70000110.8P118 A119 V123 L124 L125 I193 L197P118-T121 PolarHBondContact O-N 2.68Å; A119-T121 VanDerWaalsContact C-N 3.31Å; A119-T121 PolarHBondContact O-N 3.18Å; T121-V123 PolarHBondContact O-N 2.91Å; T121-L124 PolarHBondContact O-N 3.49Å; T121-L125 HydrophobicContact CG2-CD1 4.02Å; T121-L125 HydrophobicContact CG2-CG 4.24Å; T121-L125 WeakPolarHBondContact O-CB 3.35Å; T121-L125 VanDerWaalsContact O-CG 3.26Å; T121-L125 WeakPolarHBondContact O-CG 3.31Å; T121-L125 PolarHBondContact O-N 2.95Å; T121-I193 HydrophobicContact CG2-CG2 3.61Å; T121-L197 HydrophobicContact CG2-CD2 4.13Å
122A98Very high95.8Very high6 Ų619 Ų195%0.0511%0.106CC..Hα-helixtrans-62-41.117700000112.1C117 P118 A119 A126 L152 V156C117-A122 PolarHBondContact SG-N 2.67Å; P118-A122 WeakPolarHBondContact O-CB 3.39Å; P118-A122 PolarHBondContact O-N 3.13Å; A119-A122 PolarHBondContact O-N 2.93Å; A122-A126 WeakPolarHBondContact O-CB 3.12Å; A122-A126 PolarHBondContact O-N 3.26Å; A122-L152 HydrophobicContact CB-CD2 3.92Å; A122-V156 HydrophobicContact CB-CG1 4.35Å; A122-V156 HydrophobicContact CB-CG2 4.22Å
123V97Very high95.5Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-64.5-45.8175.31730000111.1A119 T121 A126 S127 W167 K170 V171 L491 L495A119-V123 WeakPolarHBondContact O-CG2 3.49Å; A119-V123 PolarHBondContact O-N 3.43Å; T121-V123 PolarHBondContact O-N 2.91Å; V123-A126 WeakPolarHBondContact O-CB 3.47Å; V123-A126 PolarHBondContact O-N 3.2Å; V123-S127 PolarHBondContact O-N 2.97Å; V123-W167 HydrophobicContact CG2-CE3 4.02Å; V123-W167 HydrophobicContact CG2-CZ3 3.54Å; V123-K170 HydrophobicContact CG1-CB 4.44Å; V123-V171 HydrophobicContact CG1-CG2 4.41Å; V123-L491 HydrophobicContact CB-CD2 4.5Å; V123-L491 HydrophobicContact CG1-CD1 4.38Å; V123-L491 HydrophobicContact CG1-CD2 3.86Å; V123-L495 HydrophobicContact CG2-CD1 4.3Å
124L96.5Very high94.8Very high0 Ų019.9 Ų19.90%09%0.091CC..Hα-helixtrans-61.9-47.1178.2-178.557.4000111.4E120 T121 A126 S127 Y128 I193 L488 L491E120-L124 PolarHBondContact O-N 3.42Å; E120-L124 VanDerWaalsContact O-N 3.16Å; T121-L124 PolarHBondContact O-N 3.49Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 2.92Å; L124-S127 WeakPolarHBondContact O-CB 3.48Å; L124-S127 PolarHBondContact O-N 2.84Å; L124-S127 VanDerWaalsContact O-N 3.11Å; L124-S127 PolarHBondContact O-OG 3.43Å; L124-Y128 HydrophobicContact CD1-CE2 3.74Å; L124-Y128 HydrophobicContact CG-CE2 3.88Å; L124-Y128 VanDerWaalsContact O-CD2 3.25Å; L124-Y128 WeakPolarHBondContact O-CD2 3.41Å; L124-Y128 PolarHBondContact O-N 3.27Å; L124-I193 HydrophobicContact CD2-CD1 3.61Å; L124-I193 HydrophobicContact CD2-CG1 4.49Å; L124-I193 HydrophobicContact CG-CD1 3.87Å; L124-L488 HydrophobicContact CB-CD2 4.31Å; L124-L488 HydrophobicContact CD2-CD2 3.77Å; L124-L488 HydrophobicContact CD2-CG 4Å; L124-L491 HydrophobicContact CB-CD1 4.02Å
125L97.8Very high93.4Very high2 Ų218.3 Ų18.31%0.019%0.085CC..Hα-helixtrans-60.9-40.7174.6-71.8177.6000112.4I110 T121 S127 Y128 Q129 Y190 I193 A194 L197I110-L125 HydrophobicContact CD1-CD1 3.71Å; T121-L125 HydrophobicContact CG2-CD1 4.02Å; T121-L125 HydrophobicContact CG2-CG 4.24Å; T121-L125 WeakPolarHBondContact O-CB 3.35Å; T121-L125 VanDerWaalsContact O-CG 3.26Å; T121-L125 WeakPolarHBondContact O-CG 3.31Å; T121-L125 PolarHBondContact O-N 2.95Å; L125-S127 PolarHBondContact O-N 3.18Å; L125-Y128 PolarHBondContact O-N 3.2Å; L125-Q129 PolarHBondContact O-N 3.46Å; L125-Y190 HydrophobicContact CB-CD2 4.14Å; L125-Y190 HydrophobicContact CB-CE2 3.63Å; L125-Y190 HydrophobicContact CD2-CD1 4.04Å; L125-Y190 HydrophobicContact CD2-CD2 3.81Å; L125-Y190 HydrophobicContact CD2-CE1 4.13Å; L125-Y190 HydrophobicContact CD2-CE2 3.92Å; L125-Y190 HydrophobicContact CD2-CG 3.86Å; L125-Y190 VanDerWaalsContact CD2-O 3.32Å; L125-Y190 WeakPolarHBondContact CD2-O 3.46Å; L125-Y190 HydrophobicContact CG-CE2 4.27Å; L125-Y190 WeakPolarHBondContact O-CD2 3.44Å; L125-Y190 VanDerWaalsContact O-CE2 3.26Å; L125-Y190 WeakPolarHBondContact O-CE2 3.42Å; L125-I193 HydrophobicContact CD2-CB 3.93Å; L125-I193 HydrophobicContact CD2-CG2 3.9Å; L125-I193 HydrophobicContact CG-CG2 4.22Å; L125-A194 HydrophobicContact CD1-CB 4.5Å; L125-A194 HydrophobicContact CD2-CB 4.33Å; L125-L197 HydrophobicContact CD1-CD1 4.49Å
126A96.9Very high91.3Very high1 Ų121.7 Ų21.71%0.00811%0.114CC..Hα-helixtrans-62.3-32.5175.500000112.2A122 V123 L124 Q129 Y130 Y151 L152 V171A122-A126 WeakPolarHBondContact O-CB 3.12Å; A122-A126 PolarHBondContact O-N 3.26Å; V123-A126 WeakPolarHBondContact O-CB 3.47Å; V123-A126 PolarHBondContact O-N 3.2Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 2.92Å; A126-Q129 WeakPolarHBondContact O-CB 3.4Å; A126-Q129 PolarHBondContact O-N 2.97Å; A126-Y130 PolarHBondContact O-N 3.49Å; A126-Y151 HydrophobicContact CB-CD1 4.32Å; A126-L152 HydrophobicContact CB-CD2 3.88Å; A126-V171 HydrophobicContact CB-CG1 4.07Å; A126-V171 HydrophobicContact CB-CG2 3.75Å
127S94.6Very high88.9Confident0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-64.4-44.1175.6850000112V123 L124 L125 Y130 L131 C174V123-S127 PolarHBondContact O-N 2.97Å; L124-S127 WeakPolarHBondContact O-CB 3.48Å; L124-S127 PolarHBondContact O-N 2.84Å; L124-S127 VanDerWaalsContact O-N 3.11Å; L124-S127 PolarHBondContact O-OG 3.43Å; L125-S127 PolarHBondContact O-N 3.18Å; S127-Y130 WeakPolarHBondContact O-CB 3.34Å; S127-Y130 PolarHBondContact O-N 2.94Å; S127-L131 WeakPolarHBondContact O-CG 3.21Å; S127-L131 PolarHBondContact O-N 3.05Å; S127-C174 PolarHBondContact OG-SG 2.92Å
128Y95.3Very high86.6Confident0 Ų027.7 Ų27.70%016%0.157CC..Hα-helixtrans-67.2-39173.3-63.5-67000112.1L124 L125 Y130 L131 I132 H178 M181 A186 E189 I193 H484L124-Y128 HydrophobicContact CD1-CE2 3.74Å; L124-Y128 HydrophobicContact CG-CE2 3.88Å; L124-Y128 VanDerWaalsContact O-CD2 3.25Å; L124-Y128 WeakPolarHBondContact O-CD2 3.41Å; L124-Y128 PolarHBondContact O-N 3.27Å; L125-Y128 PolarHBondContact O-N 3.2Å; Y128-Y130 PolarHBondContact O-N 3.15Å; Y128-L131 HydrophobicContact CD1-CD1 4.22Å; Y128-L131 PolarHBondContact O-N 2.82Å; Y128-L131 VanDerWaalsContact O-N 3.13Å; Y128-I132 WeakPolarHBondContact O-CD1 3.34Å; Y128-I132 WeakPolarHBondContact O-CG1 3.27Å; Y128-I132 PolarHBondContact O-N 3.36Å; Y128-H178 AromaticContact CE1-CD2 3.72Å; Y128-H178 AromaticContact CE1-NE2 3.61Å; Y128-H178 AromaticContact CZ-NE2 3.55Å; Y128-H178 PolarHBondContact OH-NE2 2.87Å; Y128-M181 HydrophobicContact CD1-SD 3.86Å; Y128-M181 HydrophobicContact CE1-CE 3.98Å; Y128-M181 HydrophobicContact CE1-SD 3.7Å; Y128-A186 HydrophobicContact CD1-CB 4.27Å; Y128-E189 HydrophobicContact CD1-CB 4.14Å; Y128-E189 HydrophobicContact CE1-CB 3.69Å; Y128-E189 HydrophobicContact CE1-CG 4.28Å; Y128-E189 HydrophobicContact CE2-CB 4.24Å; Y128-I193 HydrophobicContact CD2-CD1 4.16Å; Y128-I193 HydrophobicContact CE2-CD1 3.39Å; Y128-H484 PolarHBondContact OH-NE2 2.94Å; Y128-H484 VanDerWaalsContact OH-NE2 3.14Å
129Q94.9Very high84.2Confident0 Ų034 Ų340%020%0.198CC..Hα-helixtrans-57.6-38.1173.2172178.2-24.100111.9Y103 K107 L125 A126 R133 K150 Y151 Y190Y103-Q129 HydrophobicContact CE2-CB 4.5Å; Y103-Q129 WeakPolarHBondContact OH-CG 3.47Å; K107-Q129 HydrophobicContact CD-CG 4.13Å; L125-Q129 PolarHBondContact O-N 3.46Å; A126-Q129 WeakPolarHBondContact O-CB 3.4Å; A126-Q129 PolarHBondContact O-N 2.97Å; Q129-R133 VanDerWaalsContact NE2-CZ 3.32Å; Q129-R133 WeakPolarHBondContact O-CG 3.5Å; Q129-R133 PolarHBondContact O-N 3.19Å; Q129-K150 PolarHBondContact NE2-O 2.96Å; Q129-Y151 HydrophobicContact CB-CD1 4.06Å; Q129-Y151 HydrophobicContact CB-CE1 4.2Å; Q129-Y151 HydrophobicContact CG-CD1 3.58Å; Q129-Y151 HydrophobicContact CG-CE1 3.52Å; Q129-Y151 VanDerWaalsContact NE2-CD1 3.27Å; Q129-Y190 HydrophobicContact CB-CE2 4.41Å
130Y92.7Very high81.9Confident58 Ų5837.6 Ų37.623%0.22722%0.223CC..Hα-helixtrans-62.6-46.1174.9171.2-91000111.5A126 S127 Y128 R133 N134 L146 L172 A175A126-Y130 PolarHBondContact O-N 3.49Å; S127-Y130 WeakPolarHBondContact O-CB 3.34Å; S127-Y130 PolarHBondContact O-N 2.94Å; Y128-Y130 PolarHBondContact O-N 3.15Å; Y130-R133 PolarHBondContact O-N 2.93Å; Y130-N134 WeakPolarHBondContact CD2-ND2 3.45Å; Y130-N134 WeakPolarHBondContact CE2-ND2 3.31Å; Y130-N134 VanDerWaalsContact CZ-ND2 3.25Å; Y130-N134 PolarHBondContact O-N 3.03Å; Y130-N134 PolarHBondContact O-ND2 3.15Å; Y130-L146 HydrophobicContact CD2-CD1 3.6Å; Y130-L146 HydrophobicContact CD2-CD2 3.77Å; Y130-L146 HydrophobicContact CD2-CG 4.25Å; Y130-L146 HydrophobicContact CE2-CD1 4.1Å; Y130-L146 HydrophobicContact CE2-CD2 3.94Å; Y130-L146 HydrophobicContact CE2-CG 4.43Å; Y130-L172 HydrophobicContact CD1-CD2 4.34Å; Y130-L172 HydrophobicContact CD2-CD2 3.69Å; Y130-L172 HydrophobicContact CE1-CD2 3.98Å; Y130-L172 HydrophobicContact CE2-CD2 3.23Å; Y130-L172 HydrophobicContact CG-CD2 4.21Å; Y130-L172 VanDerWaalsContact CZ-CD2 3.41Å; Y130-A175 HydrophobicContact CD1-CB 3.68Å; Y130-A175 HydrophobicContact CE1-CB 4.27Å; Y130-A175 HydrophobicContact CG-CB 4.42Å
131L90.7Very high79.7Confident16 Ų1643.6 Ų43.68%0.08426%0.261CS..Hα-helixtrans-61-49.1177.8-60.1170000111.4S127 Y128 R133 N134 E135 A175 H178 M181 A186S127-L131 WeakPolarHBondContact O-CG 3.21Å; S127-L131 PolarHBondContact O-N 3.05Å; Y128-L131 HydrophobicContact CD1-CD1 4.22Å; Y128-L131 PolarHBondContact O-N 2.82Å; Y128-L131 VanDerWaalsContact O-N 3.13Å; L131-R133 PolarHBondContact O-N 2.93Å; L131-R133 VanDerWaalsContact O-N 3.15Å; L131-N134 PolarHBondContact O-N 3.21Å; L131-N134 VanDerWaalsContact O-N 3.14Å; L131-E135 PolarHBondContact O-N 3.29Å; L131-A175 HydrophobicContact CD2-CB 4.34Å; L131-H178 HydrophobicContact CD1-CB 3.5Å; L131-H178 VanDerWaalsContact CD1-CB 3.5Å; L131-M181 HydrophobicContact CD1-CB 4.38Å; L131-M181 HydrophobicContact CD1-SD 4.41Å; L131-A186 HydrophobicContact CB-CB 4.23Å
132I92.3Very high77.4Confident6 Ų647.6 Ų47.63%0.03129%0.285CS..Hα-helixtrans-57-34.4-179.5-65.9162.5000112.1Y103 Y128 K183 A186 V187Y103-I132 HydrophobicContact CD1-CD1 4.39Å; Y103-I132 HydrophobicContact CD1-CG2 4.45Å; Y103-I132 HydrophobicContact CD2-CD1 3.94Å; Y103-I132 HydrophobicContact CE1-CD1 4.03Å; Y103-I132 HydrophobicContact CE1-CG2 3.69Å; Y103-I132 HydrophobicContact CE2-CD1 3.57Å; Y103-I132 HydrophobicContact CG-CD1 4.31Å; Y128-I132 WeakPolarHBondContact O-CD1 3.34Å; Y128-I132 WeakPolarHBondContact O-CG1 3.27Å; Y128-I132 PolarHBondContact O-N 3.36Å; I132-K183 HydrophobicContact CG2-CG 4.06Å; I132-A186 HydrophobicContact CD1-CB 4.25Å; I132-A186 HydrophobicContact CG1-CB 3.67Å; I132-V187 HydrophobicContact CD1-CB 4.43Å; I132-V187 HydrophobicContact CD1-CG2 3.62Å; I132-V187 HydrophobicContact CG1-CG2 3.94Å; I132-V187 HydrophobicContact CG2-CG2 4.37Å
133R88.8Confident75.9Confident86 Ų8656.4 Ų56.433%0.32532%0.322SS..Hα-helixtrans-81.9-34.9179.7-77.1-178.4168.9178.92.8113.5Q129 Y130 L131 Y151Q129-R133 VanDerWaalsContact NE2-CZ 3.32Å; Q129-R133 WeakPolarHBondContact O-CG 3.5Å; Q129-R133 PolarHBondContact O-N 3.19Å; Y130-R133 PolarHBondContact O-N 2.93Å; L131-R133 PolarHBondContact O-N 2.93Å; L131-R133 VanDerWaalsContact O-N 3.15Å; R133-Y151 VanDerWaalsContact CD-OH 3.31Å; R133-Y151 WeakPolarHBondContact CD-OH 3.17Å; R133-Y151 VanDerWaalsContact NH1-CZ 3.33Å; R133-Y151 PolarHBondContact NH1-OH 3.26Å
134N80.7Confident74.8Confident52 Ų5264.4 Ų64.428%0.27836%0.357SS..Hα-helixtrans-91.8-22.9-172.4-71.7-60.6000114.4Y130 L131 A136 N137Y130-N134 WeakPolarHBondContact CD2-ND2 3.45Å; Y130-N134 WeakPolarHBondContact CE2-ND2 3.31Å; Y130-N134 VanDerWaalsContact CZ-ND2 3.25Å; Y130-N134 PolarHBondContact O-N 3.03Å; Y130-N134 PolarHBondContact O-ND2 3.15Å; L131-N134 PolarHBondContact O-N 3.21Å; L131-N134 VanDerWaalsContact O-N 3.14Å; N134-A136 PolarHBondContact O-N 2.81Å; N134-N137 PolarHBondContact O-N 3.28Å
135E67.3Low74.1Confident90 Ų9069.5 Ų69.542%0.42139%0.39SS..G310 helixtrans-60-29.8172.1-172.6179.3170.600112.4L131 N137 G138 S182 K183L131-E135 PolarHBondContact O-N 3.29Å; E135-N137 PolarHBondContact O-N 3.28Å; E135-N137 VanDerWaalsContact O-N 3.16Å; E135-G138 PolarHBondContact O-N 2.98Å; E135-S182 WeakPolarHBondContact OE1-CA 3.38Å; E135-K183 PolarHBondContact OE1-N 2.8Å; E135-K183 WeakPolarHBondContact OE2-CA 3.08Å; E135-K183 WeakPolarHBondContact OE2-CB 3.47Å; E135-K183 PolarHBondContact OE2-N 3.15Å
136A53.8Low73.6Confident78 Ų7870.5 Ų70.565%0.64540%0.395SS*.G310 helixtrans-62.5-18.4172.800000113.7N134N134-A136 PolarHBondContact O-N 2.81Å
137N45.6Very low73.4Confident110 Ų11074.4 Ų74.459%0.58842%0.416SS*.G310 helixtrans-109.24.1-173.3-66.9-35.7000114.2N134 E135N134-N137 PolarHBondContact O-N 3.28Å; E135-N137 PolarHBondContact O-N 3.28Å; E135-N137 VanDerWaalsContact O-N 3.16Å
138G49.2Very low73.4Confident43 Ų4374.4 Ų74.444%0.44342%0.416SS..  trans57.6-171-17200000112.3E135 S140E135-G138 PolarHBondContact O-N 2.98Å; G138-S140 PolarHBondContact O-N 3.43Å
139P47.3Very low73.3Confident138 Ų13877 Ų7790%0.89643%0.434SS*.SBendtrans-70.374.5172.129-32.3000109.9T141P139-T141 PolarHBondContact O-N 2.92Å
140S46.7Very low73.3Confident76 Ų7682.4 Ų82.453%0.53146%0.458SS..  trans-69.4119.2168.7-168.80000108.5G138 V142G138-S140 PolarHBondContact O-N 3.43Å; S140-V142 PolarHBondContact O-N 2.72Å
141T49.7Very low73.4Confident141 Ų14180.5 Ų80.587%0.86545%0.45SS*.SBendtrans-67-12.4177.339.20000113.4P139 K143P139-T141 PolarHBondContact O-N 2.92Å; T141-K143 PolarHBondContact O-N 3.4Å
142V50Low73.7Confident97 Ų9779.8 Ų79.859%0.58845%0.446SS*.  trans-96.994.5-177.8-172.80000110.1S140 K144S140-V142 PolarHBondContact O-N 2.72Å; V142-K144 VanDerWaalsContact C-N 3.35Å; V142-K144 HydrophobicContact CG1-CG 4.39Å; V142-K144 PolarHBondContact O-N 3.47Å
143K65.5Low74Confident190 Ų19080.1 Ų80.183%0.82645%0.449SS*.  trans-67.689.3170.3-65.9-177.8-179179.90109.7T141T141-K143 PolarHBondContact O-N 3.4Å
144K74.8Confident74.3Confident169 Ų16977.9 Ų77.974%0.73545%0.45SS*.PPolyproline II helixtrans-70.1134.2165.4-71-177.6-180176.10108.4V142V142-K144 VanDerWaalsContact C-N 3.35Å; V142-K144 HydrophobicContact CG1-CG 4.39Å; V142-K144 PolarHBondContact O-N 3.47Å
145P81.7Confident74.8Confident106 Ų10678 Ų7869%0.68845%0.45SS*.PPolyproline II helixtrans-59141.717924.4-33.4000110.6E168P145-E168 WeakPolarHBondContact CA-OE1 3.44Å
146L86.5Confident76.2Confident23 Ų2373.9 Ų73.912%0.1243%0.431CS..PPolyproline II helixtrans-73.7130.7178.9-62.5-175.7000110Y130 I148 Y151 E168 V171 L172Y130-L146 HydrophobicContact CD2-CD1 3.6Å; Y130-L146 HydrophobicContact CD2-CD2 3.77Å; Y130-L146 HydrophobicContact CD2-CG 4.25Å; Y130-L146 HydrophobicContact CE2-CD1 4.1Å; Y130-L146 HydrophobicContact CE2-CD2 3.94Å; Y130-L146 HydrophobicContact CE2-CG 4.43Å; L146-I148 VanDerWaalsContact C-N 3.35Å; L146-I148 HydrophobicContact CB-CD1 3.74Å; L146-I148 HydrophobicContact CD1-CD1 4.45Å; L146-I148 PolarHBondContact O-N 3Å; L146-Y151 HydrophobicContact CB-CE2 4.14Å; L146-Y151 HydrophobicContact CD2-CE2 4.22Å; L146-E168 HydrophobicContact CB-CG 4.06Å; L146-E168 HydrophobicContact CD1-CG 4.09Å; L146-E168 HydrophobicContact CG-CG 4.05Å; L146-E168 VanDerWaalsContact N-CD 3.27Å; L146-E168 PolarHBondContact N-OE1 2.97Å; L146-E168 PolarHBondContact N-OE2 2.88Å; L146-E168 VanDerWaalsContact N-OE2 3.08Å; L146-V171 HydrophobicContact CD1-CG1 4.39Å; L146-L172 HydrophobicContact CD1-CD2 4Å; L146-L172 HydrophobicContact CD1-CG 4.37Å
147N92.2Very high78.1Confident83 Ų8373 Ų7344%0.44441%0.411SS..  trans-75.491.9165.2-177.2-18.3000109.2S149 K150 Y151N147-S149 PolarHBondContact O-N 2.74Å; N147-S149 PolarHBondContact OD1-N 2.88Å; N147-S149 PolarHBondContact OD1-OG 2.87Å; N147-K150 HydrophobicContact CB-CD 4.43Å; N147-K150 HydrophobicContact CB-CG 4.44Å; N147-K150 WeakPolarHBondContact O-CB 3.42Å; N147-K150 PolarHBondContact O-N 2.84Å; N147-Y151 VanDerWaalsContact O-CD2 3.3Å; N147-Y151 WeakPolarHBondContact O-CD2 3.27Å
148I94.7Very high80.4Confident0 Ų073 Ų730%041%0.407CS..G310 helixtrans-58.4-29.4-174.1-61.6-53.3000113.5L146 K150 Y151 L152 R157 D164 W167 E168L146-I148 VanDerWaalsContact C-N 3.35Å; L146-I148 HydrophobicContact CB-CD1 3.74Å; L146-I148 HydrophobicContact CD1-CD1 4.45Å; L146-I148 PolarHBondContact O-N 3Å; I148-K150 PolarHBondContact O-N 2.8Å; I148-Y151 PolarHBondContact O-N 3.19Å; I148-L152 HydrophobicContact CG2-CB 4.2Å; I148-L152 HydrophobicContact CG2-CD1 3.8Å; I148-L152 HydrophobicContact CG2-CG 4.09Å; I148-L152 PolarHBondContact O-N 3.35Å; I148-R157 HydrophobicContact CG2-CG 4.46Å; I148-D164 HydrophobicContact CB-CB 4.38Å; I148-D164 HydrophobicContact CG1-CB 4.28Å; I148-D164 VanDerWaalsContact CG1-O 3.29Å; I148-D164 WeakPolarHBondContact CG1-O 3.37Å; I148-W167 HydrophobicContact CG1-CB 4.31Å; I148-W167 HydrophobicContact CG2-CB 3.77Å; I148-W167 HydrophobicContact CG2-CG 4.31Å; I148-E168 HydrophobicContact CD1-CB 3.76Å; I148-E168 HydrophobicContact CD1-CG 4.4Å; I148-E168 HydrophobicContact CG1-CB 4.19Å
149S94.8Very high82.6Confident54 Ų5471.1 Ų71.138%0.37839%0.387SS..G310 helixtrans-60.4-17.7174.174.40000114.2N147N147-S149 PolarHBondContact O-N 2.74Å; N147-S149 PolarHBondContact OD1-N 2.88Å; N147-S149 PolarHBondContact OD1-OG 2.87Å
150K94.1Very high84.8Confident115 Ų11565 Ų6550%0.535%0.346SS..G310 helixtrans-88.6-7.2173.7-63.2-173.3177-179.20113.7Q129 N147 I148Q129-K150 PolarHBondContact NE2-O 2.96Å; N147-K150 HydrophobicContact CB-CD 4.43Å; N147-K150 HydrophobicContact CB-CG 4.44Å; N147-K150 WeakPolarHBondContact O-CB 3.42Å; N147-K150 PolarHBondContact O-N 2.84Å; I148-K150 PolarHBondContact O-N 2.8Å
151Y95.8Very high87.1Confident17 Ų1765.9 Ų65.97%0.06735%0.345CS..THydrogen-bonded Turntrans-115.2-40.4-176.3-68.1-98.4000111.9V111 A126 Q129 R133 L146 N147 I148V111-Y151 WeakPolarHBondContact CG2-O 2.92Å; A126-Y151 HydrophobicContact CB-CD1 4.32Å; Q129-Y151 HydrophobicContact CB-CD1 4.06Å; Q129-Y151 HydrophobicContact CB-CE1 4.2Å; Q129-Y151 HydrophobicContact CG-CD1 3.58Å; Q129-Y151 HydrophobicContact CG-CE1 3.52Å; Q129-Y151 VanDerWaalsContact NE2-CD1 3.27Å; R133-Y151 VanDerWaalsContact CD-OH 3.31Å; R133-Y151 WeakPolarHBondContact CD-OH 3.17Å; R133-Y151 VanDerWaalsContact NH1-CZ 3.33Å; R133-Y151 PolarHBondContact NH1-OH 3.26Å; L146-Y151 HydrophobicContact CB-CE2 4.14Å; L146-Y151 HydrophobicContact CD2-CE2 4.22Å; N147-Y151 VanDerWaalsContact O-CD2 3.3Å; N147-Y151 WeakPolarHBondContact O-CD2 3.27Å; I148-Y151 PolarHBondContact O-N 3.19Å
152L97.1Very high89.3Confident1 Ų160.3 Ų60.31%0.00531%0.31CS..SBendtrans-118.4139.2-177.7-58.1179.2000110.6A122 A126 I148 R157 W167A122-L152 HydrophobicContact CB-CD2 3.92Å; A126-L152 HydrophobicContact CB-CD2 3.88Å; I148-L152 HydrophobicContact CG2-CB 4.2Å; I148-L152 HydrophobicContact CG2-CD1 3.8Å; I148-L152 HydrophobicContact CG2-CG 4.09Å; I148-L152 PolarHBondContact O-N 3.35Å; L152-R157 HydrophobicContact CB-CG 3.82Å; L152-R157 HydrophobicContact CD1-CG 4.48Å; L152-R157 PolarHBondContact O-NE 2.66Å; L152-W167 HydrophobicContact CD1-CB 4.08Å; L152-W167 HydrophobicContact CD1-CD2 3.62Å; L152-W167 HydrophobicContact CD1-CE3 3.54Å; L152-W167 HydrophobicContact CD1-CG 3.9Å; L152-W167 HydrophobicContact CD1-CZ3 4.17Å
153S96.7Very high91.4Very high13 Ų1358.9 Ų58.99%0.09130%0.302CS..  trans-64.9157.4178.172.10000111.5V111 N155 V156 R157V111-S153 WeakPolarHBondContact O-CA 3.37Å; V111-S153 WeakPolarHBondContact O-CB 3.44Å; S153-N155 VanDerWaalsContact C-N 3.29Å; S153-N155 PolarHBondContact O-N 2.85Å; S153-V156 PolarHBondContact O-N 3.36Å; S153-V156 WeakPolarHBondContact OG-CG2 3.42Å; S153-V156 PolarHBondContact OG-N 2.92Å; S153-R157 WeakPolarHBondContact O-CG 2.77Å; S153-R157 PolarHBondContact O-N 3.14Å; S153-R157 VanDerWaalsContact O-N 3.13Å
154A95.3Very high92.9Very high40 Ų4053.2 Ų53.233%0.33128%0.28SS..Hα-helixtrans-58.6-42.8176.400000112.1V156 R157 E158A154-V156 PolarHBondContact O-N 2.75Å; A154-R157 PolarHBondContact O-N 2.91Å; A154-E158 WeakPolarHBondContact O-CB 3.28Å; A154-E158 WeakPolarHBondContact O-CG 3.39Å; A154-E158 PolarHBondContact O-N 3.22Å
155N92.6Very high93.8Very high55 Ų5551.5 Ų51.529%0.29428%0.275SS..Hα-helixtrans-57.1-50178.6-63.2-15.5000111.7S153 R157 E158 Q159 Q505S153-N155 VanDerWaalsContact C-N 3.29Å; S153-N155 PolarHBondContact O-N 2.85Å; N155-R157 PolarHBondContact O-N 3.47Å; N155-E158 PolarHBondContact O-N 3.07Å; N155-Q159 WeakPolarHBondContact O-CB 3.31Å; N155-Q159 VanDerWaalsContact O-CD 3.28Å; N155-Q159 WeakPolarHBondContact O-CG 3.49Å; N155-Q159 PolarHBondContact O-N 2.97Å; N155-Q159 VanDerWaalsContact O-N 3.14Å; N155-Q505 VanDerWaalsContact CG-NE2 3.25Å; N155-Q505 PolarHBondContact ND2-OE1 3.4Å; N155-Q505 PolarHBondContact OD1-NE2 2.92Å
156V95.4Very high94.5Very high3 Ų350.8 Ų50.82%0.01826%0.262CS..Hα-helixtrans-61.6-44.3179.1169.50000110.9A119 A122 S153 A154 E158 Y160 W167A119-V156 HydrophobicContact CB-CG1 3.84Å; A122-V156 HydrophobicContact CB-CG1 4.35Å; A122-V156 HydrophobicContact CB-CG2 4.22Å; S153-V156 PolarHBondContact O-N 3.36Å; S153-V156 WeakPolarHBondContact OG-CG2 3.42Å; S153-V156 PolarHBondContact OG-N 2.92Å; A154-V156 PolarHBondContact O-N 2.75Å; V156-E158 VanDerWaalsContact C-N 3.34Å; V156-E158 PolarHBondContact O-N 2.8Å; V156-Y160 VanDerWaalsContact O-CD2 3.23Å; V156-Y160 WeakPolarHBondContact O-CD2 3.29Å; V156-W167 HydrophobicContact CG1-CH2 4.06Å; V156-W167 HydrophobicContact CG1-CZ2 4.25Å
157R95.3Very high95Very high60 Ų6049.7 Ų49.723%0.22626%0.256CS..Hα-helixtrans-65.7-38.2-178.9-67.8-179.5-60102.82.8112.4I148 L152 S153 A154 N155I148-R157 HydrophobicContact CG2-CG 4.46Å; L152-R157 HydrophobicContact CB-CG 3.82Å; L152-R157 HydrophobicContact CD1-CG 4.48Å; L152-R157 PolarHBondContact O-NE 2.66Å; S153-R157 WeakPolarHBondContact O-CG 2.77Å; S153-R157 PolarHBondContact O-N 3.14Å; S153-R157 VanDerWaalsContact O-N 3.13Å; A154-R157 PolarHBondContact O-N 2.91Å; N155-R157 PolarHBondContact O-N 3.47Å
158E93.7Very high95.2Very high108 Ų10847.1 Ų47.151%0.50524%0.242SC..Hα-helixtrans-74.1-32.5-176.5-73.8171.5-164.500112.9A154 N155 V156 Y160 K503A154-E158 WeakPolarHBondContact O-CB 3.28Å; A154-E158 WeakPolarHBondContact O-CG 3.39Å; A154-E158 PolarHBondContact O-N 3.22Å; N155-E158 PolarHBondContact O-N 3.07Å; V156-E158 VanDerWaalsContact C-N 3.34Å; V156-E158 PolarHBondContact O-N 2.8Å; E158-Y160 PolarHBondContact O-N 3.48Å; E158-K503 WeakPolarHBondContact O-CD 3.18Å; E158-K503 PolarHBondContact O-NZ 3.05Å; E158-K503 VanDerWaalsContact O-NZ 3.11Å
159Q94Very high95.1Very high4 Ų449.9 Ų49.92%0.01926%0.264CS..THydrogen-bonded Turntrans-68.1-12-177.5-75.9165.98.100115N155 N500 K503 D508N155-Q159 WeakPolarHBondContact O-CB 3.31Å; N155-Q159 VanDerWaalsContact O-CD 3.28Å; N155-Q159 WeakPolarHBondContact O-CG 3.49Å; N155-Q159 PolarHBondContact O-N 2.97Å; N155-Q159 VanDerWaalsContact O-N 3.14Å; Q159-N500 WeakPolarHBondContact O-CB 3.49Å; Q159-N500 PolarHBondContact O-N 3.04Å; Q159-K503 WeakPolarHBondContact CG-O 3.48Å; Q159-D508 PolarHBondContact NE2-OD1 2.77Å; Q159-D508 VanDerWaalsContact NE2-OD1 3.15Å; Q159-D508 PolarHBondContact NE2-OD2 3.12Å
160Y95.2Very high95.1Very high9 Ų949 Ų494%0.03525%0.254CS..BIsolated β-bridgetrans-125.6145.3-177.4-60.2-104.2000109.6A119 V156 E158 L162 W167 L495 V498 R499A119-Y160 HydrophobicContact CB-CD2 4.35Å; A119-Y160 HydrophobicContact CB-CE1 4.37Å; A119-Y160 HydrophobicContact CB-CE2 3.4Å; A119-Y160 VanDerWaalsContact CB-CE2 3.4Å; A119-Y160 WeakPolarHBondContact CB-OH 3.5Å; V156-Y160 VanDerWaalsContact O-CD2 3.23Å; V156-Y160 WeakPolarHBondContact O-CD2 3.29Å; E158-Y160 PolarHBondContact O-N 3.48Å; Y160-L162 PolarHBondContact O-N 3.35Å; Y160-W167 HydrophobicContact CD2-CH2 4.03Å; Y160-W167 AromaticContact CD2-CZ2 3.94Å; Y160-W167 HydrophobicContact CD2-CZ2 3.94Å; Y160-W167 HydrophobicContact CG-CH2 4.06Å; Y160-W167 AromaticContact CG-CZ2 3.96Å; Y160-W167 HydrophobicContact CG-CZ2 3.96Å; Y160-L495 HydrophobicContact CD1-CB 4.24Å; Y160-L495 HydrophobicContact CD1-CD2 4.4Å; Y160-L495 WeakPolarHBondContact CD1-O 3.4Å; Y160-L495 HydrophobicContact CE1-CB 3.73Å; Y160-L495 WeakPolarHBondContact CE1-O 3.44Å; Y160-V498 CarbonylContact C-O 3.54Å; Y160-V498 WeakPolarHBondContact CA-O 3.31Å; Y160-V498 HydrophobicContact CD1-CG2 4.16Å; Y160-R499 HydrophobicContact CD1-CB 3.72Å; Y160-R499 HydrophobicContact CD1-CG 3.92Å; Y160-R499 HydrophobicContact CE1-CB 3.54Å; Y160-R499 HydrophobicContact CE1-CG 3.49Å; Y160-R499 VanDerWaalsContact CE1-CG 3.49Å; Y160-R499 HydrophobicContact CE2-CG 4.4Å; Y160-R499 PolarHBondContact OH-NE 3Å
161N94Very high95.2Very high96 Ų9643.6 Ų43.651%0.51323%0.23SC..SBendtrans-83.761.5178.1-61.6-27.9000109.7V498 N500N161-V498 PolarHBondContact N-O 3.33Å; N161-N500 PolarHBondContact OD1-ND2 2.96Å; N161-N500 VanDerWaalsContact OD1-ND2 3.11Å
162L95.3Very high95Very high24 Ų2445.1 Ų45.113%0.12624%0.239CC..  trans-124141.5179.9-68.4175.2000110.6Y160 E166 W167 K170 L495 V498Y160-L162 PolarHBondContact O-N 3.35Å; L162-E166 VanDerWaalsContact CA-OE2 3.28Å; L162-E166 WeakPolarHBondContact CA-OE2 3.28Å; L162-E166 HydrophobicContact CB-CB 4.33Å; L162-E166 HydrophobicContact CD2-CB 3.99Å; L162-W167 HydrophobicContact CB-CD2 4.33Å; L162-W167 HydrophobicContact CB-CG 4.37Å; L162-W167 HydrophobicContact CB-CZ2 4.48Å; L162-W167 HydrophobicContact CD1-CD2 3.9Å; L162-W167 HydrophobicContact CD1-CE3 4Å; L162-W167 HydrophobicContact CD1-CH2 3.9Å; L162-W167 HydrophobicContact CD1-CZ2 3.8Å; L162-W167 HydrophobicContact CD1-CZ3 3.98Å; L162-K170 HydrophobicContact CD1-CD 4Å; L162-L495 HydrophobicContact CD1-CD2 4.02Å; L162-V498 HydrophobicContact CD1-CG2 3.9Å; L162-V498 HydrophobicContact CD2-CB 4.13Å; L162-V498 HydrophobicContact CD2-CG1 4.12Å; L162-V498 HydrophobicContact CD2-CG2 3.99Å; L162-V498 HydrophobicContact CG-CB 4.23Å; L162-V498 HydrophobicContact CG-CG2 3.9Å
163T95.6Very high94.7Very high67 Ų6750.8 Ų50.841%0.41127%0.27SS..  trans-77.8166.2170.282.20000111.4E165 E166 W167T163-E165 VanDerWaalsContact CB-OE2 3.28Å; T163-E165 WeakPolarHBondContact CB-OE2 3.07Å; T163-E165 PolarHBondContact O-N 3.3Å; T163-E165 PolarHBondContact OG1-N 2.83Å; T163-E165 PolarHBondContact OG1-OE2 3.1Å; T163-E166 PolarHBondContact N-OE2 3.2Å; T163-E166 PolarHBondContact O-N 3.26Å; T163-E166 PolarHBondContact OG1-N 3.26Å; T163-W167 VanDerWaalsContact O-CD1 3.25Å; T163-W167 PolarHBondContact O-N 3.43Å
164D95.6Very high94.4Very high71 Ų7150.9 Ų50.938%0.3827%0.27SS..Hα-helixtrans-61.8-34.5175.5-80.3-6.3000111I148 W167 E168I148-D164 HydrophobicContact CB-CB 4.38Å; I148-D164 HydrophobicContact CG1-CB 4.28Å; I148-D164 VanDerWaalsContact CG1-O 3.29Å; I148-D164 WeakPolarHBondContact CG1-O 3.37Å; D164-W167 PolarHBondContact O-N 2.92Å; D164-E168 WeakPolarHBondContact O-CB 3.28Å; D164-E168 PolarHBondContact O-N 3.38Å
165E94.9Very high94.1Very high133 Ų13349.1 Ų49.162%0.62126%0.255SS*.Hα-helixtrans-66.9-37.8175.8-59.674.5-162.100112.4T163 E168 A169T163-E165 VanDerWaalsContact CB-OE2 3.28Å; T163-E165 WeakPolarHBondContact CB-OE2 3.07Å; T163-E165 PolarHBondContact O-N 3.3Å; T163-E165 PolarHBondContact OG1-N 2.83Å; T163-E165 PolarHBondContact OG1-OE2 3.1Å; E165-E168 WeakPolarHBondContact O-CB 3.47Å; E165-E168 PolarHBondContact O-N 3.32Å; E165-A169 PolarHBondContact O-N 2.82Å
166E96Very high93.8Very high90 Ų9050.2 Ų50.242%0.42127%0.267SS..Hα-helixtrans-70.5-38.9176.6-65.9176.1128.100111.5L162 T163 E168 A169 K170L162-E166 VanDerWaalsContact CA-OE2 3.28Å; L162-E166 WeakPolarHBondContact CA-OE2 3.28Å; L162-E166 HydrophobicContact CB-CB 4.33Å; L162-E166 HydrophobicContact CD2-CB 3.99Å; T163-E166 PolarHBondContact N-OE2 3.2Å; T163-E166 PolarHBondContact O-N 3.26Å; T163-E166 PolarHBondContact OG1-N 3.26Å; E166-E168 VanDerWaalsContact C-N 3.34Å; E166-A169 PolarHBondContact O-N 3.34Å; E166-K170 WeakPolarHBondContact O-CG 3.28Å; E166-K170 PolarHBondContact O-N 2.96Å
167W96.8Very high93.1Very high0 Ų053 Ų530%029%0.291CS..Hα-helixtrans-61.3-43170.4-80.6121.2000111.9V123 I148 L152 V156 Y160 L162 T163 D164 K170 V171 L495V123-W167 HydrophobicContact CG2-CE3 4.02Å; V123-W167 HydrophobicContact CG2-CZ3 3.54Å; I148-W167 HydrophobicContact CG1-CB 4.31Å; I148-W167 HydrophobicContact CG2-CB 3.77Å; I148-W167 HydrophobicContact CG2-CG 4.31Å; L152-W167 HydrophobicContact CD1-CB 4.08Å; L152-W167 HydrophobicContact CD1-CD2 3.62Å; L152-W167 HydrophobicContact CD1-CE3 3.54Å; L152-W167 HydrophobicContact CD1-CG 3.9Å; L152-W167 HydrophobicContact CD1-CZ3 4.17Å; V156-W167 HydrophobicContact CG1-CH2 4.06Å; V156-W167 HydrophobicContact CG1-CZ2 4.25Å; Y160-W167 HydrophobicContact CD2-CH2 4.03Å; Y160-W167 AromaticContact CD2-CZ2 3.94Å; Y160-W167 HydrophobicContact CD2-CZ2 3.94Å; Y160-W167 HydrophobicContact CG-CH2 4.06Å; Y160-W167 AromaticContact CG-CZ2 3.96Å; Y160-W167 HydrophobicContact CG-CZ2 3.96Å; L162-W167 HydrophobicContact CB-CD2 4.33Å; L162-W167 HydrophobicContact CB-CG 4.37Å; L162-W167 HydrophobicContact CB-CZ2 4.48Å; L162-W167 HydrophobicContact CD1-CD2 3.9Å; L162-W167 HydrophobicContact CD1-CE3 4Å; L162-W167 HydrophobicContact CD1-CH2 3.9Å; L162-W167 HydrophobicContact CD1-CZ2 3.8Å; L162-W167 HydrophobicContact CD1-CZ3 3.98Å; T163-W167 VanDerWaalsContact O-CD1 3.25Å; T163-W167 PolarHBondContact O-N 3.43Å; D164-W167 PolarHBondContact O-N 2.92Å; W167-K170 HydrophobicContact CE3-CD 4.42Å; W167-K170 PolarHBondContact O-N 3.2Å; W167-V171 WeakPolarHBondContact O-CG2 3.46Å; W167-V171 PolarHBondContact O-N 2.93Å; W167-L495 HydrophobicContact CH2-CD2 3.8Å; W167-L495 HydrophobicContact CZ3-CD1 4.47Å; W167-L495 HydrophobicContact CZ3-CD2 3.65Å
168E95.4Very high92.3Very high30 Ų3051 Ų5114%0.1428%0.284CS..Hα-helixtrans-56.8-49.7174-178.3168.1-179.300111.2P145 L146 I148 D164 E165 E166 K170 V171 L172P145-E168 WeakPolarHBondContact CA-OE1 3.44Å; L146-E168 HydrophobicContact CB-CG 4.06Å; L146-E168 HydrophobicContact CD1-CG 4.09Å; L146-E168 HydrophobicContact CG-CG 4.05Å; L146-E168 VanDerWaalsContact N-CD 3.27Å; L146-E168 PolarHBondContact N-OE1 2.97Å; L146-E168 PolarHBondContact N-OE2 2.88Å; L146-E168 VanDerWaalsContact N-OE2 3.08Å; I148-E168 HydrophobicContact CD1-CB 3.76Å; I148-E168 HydrophobicContact CD1-CG 4.4Å; I148-E168 HydrophobicContact CG1-CB 4.19Å; D164-E168 WeakPolarHBondContact O-CB 3.28Å; D164-E168 PolarHBondContact O-N 3.38Å; E165-E168 WeakPolarHBondContact O-CB 3.47Å; E165-E168 PolarHBondContact O-N 3.32Å; E166-E168 VanDerWaalsContact C-N 3.34Å; E168-K170 VanDerWaalsContact C-N 3.31Å; E168-K170 PolarHBondContact O-N 3.16Å; E168-V171 PolarHBondContact O-N 3.36Å; E168-L172 HydrophobicContact CG-CD1 3.74Å; E168-L172 HydrophobicContact CG-CG 4.09Å; E168-L172 WeakPolarHBondContact O-CB 3.26Å; E168-L172 VanDerWaalsContact O-CG 3.29Å; E168-L172 WeakPolarHBondContact O-CG 3.09Å; E168-L172 PolarHBondContact O-N 3.33Å
169A94.5Very high91.2Very high57 Ų5754.1 Ų54.147%0.47130%0.296SS..Hα-helixtrans-57.5-42.9178.700000112.1E165 E166 L172 N173E165-A169 PolarHBondContact O-N 2.82Å; E166-A169 PolarHBondContact O-N 3.34Å; A169-L172 PolarHBondContact O-N 3.13Å; A169-N173 VanDerWaalsContact O-CB 3.25Å; A169-N173 WeakPolarHBondContact O-CB 3.46Å; A169-N173 PolarHBondContact O-N 3.22Å
170K94.7Very high90.3Very high37 Ų3759.2 Ų59.216%0.16132%0.324CS..Hα-helixtrans-63.6-44.6176.6-70.7-176.9-176.3-610112.3V123 L162 E166 W167 E168 C174 D494 L495V123-K170 HydrophobicContact CG1-CB 4.44Å; L162-K170 HydrophobicContact CD1-CD 4Å; E166-K170 WeakPolarHBondContact O-CG 3.28Å; E166-K170 PolarHBondContact O-N 2.96Å; W167-K170 HydrophobicContact CE3-CD 4.42Å; W167-K170 PolarHBondContact O-N 3.2Å; E168-K170 VanDerWaalsContact C-N 3.31Å; E168-K170 PolarHBondContact O-N 3.16Å; K170-C174 WeakPolarHBondContact O-CB 3.27Å; K170-C174 PolarHBondContact O-N 2.92Å; K170-D494 IonicContact NZ-OD1 3.47Å; K170-D494 PolarHBondContact NZ-OD1 3Å; K170-D494 IonicContact NZ-OD2 2.84Å; K170-D494 PolarHBondContact NZ-OD2 3.5Å; K170-L495 HydrophobicContact CD-CD2 3.81Å
171V94.5Very high89.8Confident0 Ų060.9 Ų60.90%033%0.332CS..Hα-helixtrans-63.3-45.2177.2170.80000111.3V123 A126 L146 W167 E168 C174 A175V123-V171 HydrophobicContact CG1-CG2 4.41Å; A126-V171 HydrophobicContact CB-CG1 4.07Å; A126-V171 HydrophobicContact CB-CG2 3.75Å; L146-V171 HydrophobicContact CD1-CG1 4.39Å; W167-V171 WeakPolarHBondContact O-CG2 3.46Å; W167-V171 PolarHBondContact O-N 2.93Å; E168-V171 PolarHBondContact O-N 3.36Å; V171-C174 PolarHBondContact O-N 3.48Å; V171-A175 WeakPolarHBondContact O-CB 3.26Å; V171-A175 PolarHBondContact O-N 3.46Å
172L92.5Very high89.4Confident49 Ų4957.1 Ų57.126%0.25731%0.313SS..Hα-helixtrans-67.4-40179.7-68.7-179.7000112.4Y130 L146 E168 A169 C174 A175 S176Y130-L172 HydrophobicContact CD1-CD2 4.34Å; Y130-L172 HydrophobicContact CD2-CD2 3.69Å; Y130-L172 HydrophobicContact CE1-CD2 3.98Å; Y130-L172 HydrophobicContact CE2-CD2 3.23Å; Y130-L172 HydrophobicContact CG-CD2 4.21Å; Y130-L172 VanDerWaalsContact CZ-CD2 3.41Å; L146-L172 HydrophobicContact CD1-CD2 4Å; L146-L172 HydrophobicContact CD1-CG 4.37Å; E168-L172 HydrophobicContact CG-CD1 3.74Å; E168-L172 HydrophobicContact CG-CG 4.09Å; E168-L172 WeakPolarHBondContact O-CB 3.26Å; E168-L172 VanDerWaalsContact O-CG 3.29Å; E168-L172 WeakPolarHBondContact O-CG 3.09Å; E168-L172 PolarHBondContact O-N 3.33Å; A169-L172 PolarHBondContact O-N 3.13Å; L172-C174 VanDerWaalsContact C-N 3.33Å; L172-A175 PolarHBondContact O-N 3.37Å; L172-S176 PolarHBondContact O-N 2.85Å
173N91.5Very high89.2Confident121 Ų12158.9 Ų58.965%0.64732%0.32SS*.Hα-helixtrans-60.7-45.5175-174.954.8000110.6A169 A175 S176A169-N173 VanDerWaalsContact O-CB 3.25Å; A169-N173 WeakPolarHBondContact O-CB 3.46Å; A169-N173 PolarHBondContact O-N 3.22Å; N173-A175 VanDerWaalsContact C-N 3.35Å; N173-A175 PolarHBondContact O-N 3.42Å; N173-S176 WeakPolarHBondContact O-CB 3.31Å; N173-S176 PolarHBondContact O-N 3.18Å; N173-S176 PolarHBondContact O-OG 2.88Å
174C90.4Very high89Confident14 Ų1455.9 Ų55.910%0.09530%0.301CS..Hα-helixtrans-62.7-40.6175.6-169.80000112.1S127 K170 V171 L172 S176S127-C174 PolarHBondContact OG-SG 2.92Å; K170-C174 WeakPolarHBondContact O-CB 3.27Å; K170-C174 PolarHBondContact O-N 2.92Å; V171-C174 PolarHBondContact O-N 3.48Å; L172-C174 VanDerWaalsContact C-N 3.33Å; C174-S176 VanDerWaalsContact C-N 3.31Å; C174-S176 PolarHBondContact O-N 3.37Å
175A88.9Confident88.8Confident3 Ų353.6 Ų53.63%0.02529%0.289CS..Hα-helixtrans-69.1-28.1178.700000112.9Y130 L131 V171 L172 N173 A177 H178Y130-A175 HydrophobicContact CD1-CB 3.68Å; Y130-A175 HydrophobicContact CE1-CB 4.27Å; Y130-A175 HydrophobicContact CG-CB 4.42Å; L131-A175 HydrophobicContact CD2-CB 4.34Å; V171-A175 WeakPolarHBondContact O-CB 3.26Å; V171-A175 PolarHBondContact O-N 3.46Å; L172-A175 PolarHBondContact O-N 3.37Å; N173-A175 VanDerWaalsContact C-N 3.35Å; N173-A175 PolarHBondContact O-N 3.42Å; A175-A177 PolarHBondContact O-N 2.94Å; A175-H178 PolarHBondContact O-N 3.23Å
176S85.7Confident88.7Confident78 Ų7847.2 Ų47.255%0.54526%0.259SS..Hα-helixtrans-61.5-29.4-179.377.70000112.9L172 N173 C174 H178 K179L172-S176 PolarHBondContact O-N 2.85Å; N173-S176 WeakPolarHBondContact O-CB 3.31Å; N173-S176 PolarHBondContact O-N 3.18Å; N173-S176 PolarHBondContact O-OG 2.88Å; C174-S176 VanDerWaalsContact C-N 3.31Å; C174-S176 PolarHBondContact O-N 3.37Å; S176-H178 PolarHBondContact O-N 2.97Å; S176-H178 VanDerWaalsContact O-N 3.13Å; S176-K179 PolarHBondContact O-N 3.45Å
177A80.5Confident88.7Confident62 Ų6243 Ų4351%0.51224%0.24SC..THydrogen-bonded Turntrans-67.7-5.6174.200000114.1A175A175-A177 PolarHBondContact O-N 2.94Å
178H79.2Confident88.6Confident18 Ų1844.8 Ų44.88%0.08325%0.247CC..THydrogen-bonded Turntrans-131.523.9-176.4-60-57.3000113.2Y128 L131 A175 S176 N180 M181 R487Y128-H178 AromaticContact CE1-CD2 3.72Å; Y128-H178 AromaticContact CE1-NE2 3.61Å; Y128-H178 AromaticContact CZ-NE2 3.55Å; Y128-H178 PolarHBondContact OH-NE2 2.87Å; L131-H178 HydrophobicContact CD1-CB 3.5Å; L131-H178 VanDerWaalsContact CD1-CB 3.5Å; A175-H178 PolarHBondContact O-N 3.23Å; S176-H178 PolarHBondContact O-N 2.97Å; S176-H178 VanDerWaalsContact O-N 3.13Å; H178-N180 PolarHBondContact O-N 3.35Å; H178-M181 HydrophobicContact CB-CB 4.26Å; H178-M181 HydrophobicContact CB-CE 4.22Å; H178-M181 VanDerWaalsContact O-CB 3.3Å; H178-M181 WeakPolarHBondContact O-CB 3.17Å; H178-M181 PolarHBondContact O-N 2.93Å; H178-R487 PolarHBondContact CE1-NH1 3.49Å; H178-R487 PolarHBondContact CE1-NH2 3.45Å; H178-R487 PolarHBondContact NE2-NH1 3.25Å
179K70.4Confident88.5Confident173 Ų17344.7 Ų44.775%0.75225%0.247SC*.THydrogen-bonded Turntrans-50.8-28.3-170.6-171.8-178.5174.2-1680115.2S176S176-K179 PolarHBondContact O-N 3.45Å
180N74.7Confident88.6Confident112 Ų11242.1 Ų42.160%0.59923%0.225SC*.THydrogen-bonded Turntrans-106.113.5-176.5-61.5-20.2000113.8H178H178-N180 PolarHBondContact O-N 3.35Å
181M84.8Confident88.8Confident44 Ų4440.5 Ų40.522%0.21722%0.218CC..  trans-76.9135177.7-172.9175.7-74.400110.6Y128 L131 H178 D185 A186 E189Y128-M181 HydrophobicContact CD1-SD 3.86Å; Y128-M181 HydrophobicContact CE1-CE 3.98Å; Y128-M181 HydrophobicContact CE1-SD 3.7Å; L131-M181 HydrophobicContact CD1-CB 4.38Å; L131-M181 HydrophobicContact CD1-SD 4.41Å; H178-M181 HydrophobicContact CB-CB 4.26Å; H178-M181 HydrophobicContact CB-CE 4.22Å; H178-M181 VanDerWaalsContact O-CB 3.3Å; H178-M181 WeakPolarHBondContact O-CB 3.17Å; H178-M181 PolarHBondContact O-N 2.93Å; M181-D185 HydrophobicContact CG-CB 3.88Å; M181-A186 HydrophobicContact CG-CB 4.16Å; M181-A186 VanDerWaalsContact SD-CA 3.53Å; M181-A186 HydrophobicContact SD-CB 3.86Å; M181-E189 HydrophobicContact CE-CG 4.26Å; M181-E189 HydrophobicContact SD-CG 4.39Å
182S86.5Confident88.8Confident16 Ų1642 Ų4211%0.11222%0.224CC..  trans-78.1171.3175.280.70000112.7E135 D184 D185 A186 R319E135-S182 WeakPolarHBondContact OE1-CA 3.38Å; S182-D184 PolarHBondContact O-N 2.89Å; S182-D185 PolarHBondContact O-N 3.09Å; S182-D185 VanDerWaalsContact O-N 3.16Å; S182-D185 PolarHBondContact OG-N 2.78Å; S182-D185 PolarHBondContact OG-OD2 3.1Å; S182-A186 WeakPolarHBondContact O-CB 3.38Å; S182-A186 PolarHBondContact O-N 2.89Å; S182-R319 PolarHBondContact OG-NH2 3.05Å
183K90.3Very high88.9Confident62 Ų6240 Ų4027%0.2721%0.213SC..Hα-helixtrans-62.5-47.5-176.4-167176.1177.3-176.20110.9I132 E135 D185 A186 V187I132-K183 HydrophobicContact CG2-CG 4.06Å; E135-K183 PolarHBondContact OE1-N 2.8Å; E135-K183 WeakPolarHBondContact OE2-CA 3.08Å; E135-K183 WeakPolarHBondContact OE2-CB 3.47Å; E135-K183 PolarHBondContact OE2-N 3.15Å; K183-D185 VanDerWaalsContact C-N 3.34Å; K183-D185 PolarHBondContact O-N 2.92Å; K183-A186 PolarHBondContact O-N 2.9Å; K183-V187 WeakPolarHBondContact O-CB 3.34Å; K183-V187 VanDerWaalsContact O-CG2 3.23Å; K183-V187 WeakPolarHBondContact O-CG2 3.44Å; K183-V187 PolarHBondContact O-N 3.26Å
184D91.5Very high89.2Confident3 Ų334.2 Ų34.22%0.01618%0.183CC..Hα-helixtrans-60.9-43.4179.7-174.143.8000111.8E96 R99 S182 V187 K188 R315E96-D184 HydrophobicContact CG-CB 4.16Å; R99-D184 IonicContact CZ-OD1 3.71Å; R99-D184 IonicContact CZ-OD2 3.14Å; R99-D184 IonicContact NE-OD1 3.81Å; R99-D184 PolarHBondContact NE-OD1 2.66Å; R99-D184 IonicContact NH2-OD1 2.65Å; R99-D184 PolarHBondContact NH2-OD1 3.08Å; R99-D184 IonicContact NH2-OD2 2.89Å; R99-D184 PolarHBondContact NH2-OD2 3.06Å; S182-D184 PolarHBondContact O-N 2.89Å; D184-V187 PolarHBondContact O-N 2.86Å; D184-K188 WeakPolarHBondContact O-CG 3.27Å; D184-K188 PolarHBondContact O-N 3.5Å; D184-K188 WeakPolarHBondContact OD2-CE 3.41Å; D184-K188 IonicContact OD2-NZ 2.89Å; D184-K188 PolarHBondContact OD2-NZ 2.94Å; D184-R315 IonicContact OD2-CZ 2.66Å; D184-R315 IonicContact OD2-NH1 2.84Å; D184-R315 PolarHBondContact OD2-NH1 2.65Å; D184-R315 IonicContact OD2-NH2 2.98Å; D184-R315 PolarHBondContact OD2-NH2 3.32Å
185D90.7Very high89.5Confident23 Ų2334.5 Ų34.512%0.12318%0.183CC..Hα-helixtrans-72.9-39.4179.8-61-30.3000111.7M181 S182 K183 V187 K188 E189 R319M181-D185 HydrophobicContact CG-CB 3.88Å; S182-D185 PolarHBondContact O-N 3.09Å; S182-D185 VanDerWaalsContact O-N 3.16Å; S182-D185 PolarHBondContact OG-N 2.78Å; S182-D185 PolarHBondContact OG-OD2 3.1Å; K183-D185 VanDerWaalsContact C-N 3.34Å; K183-D185 PolarHBondContact O-N 2.92Å; D185-V187 VanDerWaalsContact C-N 3.27Å; D185-V187 PolarHBondContact O-N 3.45Å; D185-K188 WeakPolarHBondContact O-CB 3.42Å; D185-K188 PolarHBondContact O-N 3.18Å; D185-K188 VanDerWaalsContact O-N 3.11Å; D185-K188 IonicContact OD1-NZ 2.88Å; D185-K188 PolarHBondContact OD1-NZ 2.94Å; D185-E189 WeakPolarHBondContact O-CG 3.44Å; D185-E189 PolarHBondContact O-N 3.04Å; D185-R319 IonicContact OD2-CZ 3.83Å; D185-R319 IonicContact OD2-NH1 2.83Å; D185-R319 PolarHBondContact OD2-NH1 2.78Å; D185-R319 IonicContact OD2-NH2 3.47Å; D185-R319 PolarHBondContact OD2-NH2 3.05Å
186A93.1Very high89.7Confident0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-60.8-37.9171.400000111.8Y128 L131 I132 M181 S182 K183 Y190Y128-A186 HydrophobicContact CD1-CB 4.27Å; L131-A186 HydrophobicContact CB-CB 4.23Å; I132-A186 HydrophobicContact CD1-CB 4.25Å; I132-A186 HydrophobicContact CG1-CB 3.67Å; M181-A186 HydrophobicContact CG-CB 4.16Å; M181-A186 VanDerWaalsContact SD-CA 3.53Å; M181-A186 HydrophobicContact SD-CB 3.86Å; S182-A186 WeakPolarHBondContact O-CB 3.38Å; S182-A186 PolarHBondContact O-N 2.89Å; K183-A186 PolarHBondContact O-N 2.9Å; A186-Y190 VanDerWaalsContact O-CB 3.24Å; A186-Y190 WeakPolarHBondContact O-CB 3.26Å; A186-Y190 PolarHBondContact O-N 3.25Å
187V95.8Very high90.3Very high2 Ų234.9 Ų34.91%0.01218%0.178CC..Hα-helixtrans-65.5-43.4172.51660000111.2R99 L100 Y103 I132 K183 D184 D185 Y190 L191R99-V187 HydrophobicContact CB-CG1 3.71Å; R99-V187 WeakPolarHBondContact O-CG1 3.46Å; L100-V187 HydrophobicContact CD1-CG2 4.04Å; Y103-V187 HydrophobicContact CD1-CG2 4.3Å; Y103-V187 HydrophobicContact CG-CG2 4.26Å; I132-V187 HydrophobicContact CD1-CB 4.43Å; I132-V187 HydrophobicContact CD1-CG2 3.62Å; I132-V187 HydrophobicContact CG1-CG2 3.94Å; I132-V187 HydrophobicContact CG2-CG2 4.37Å; K183-V187 WeakPolarHBondContact O-CB 3.34Å; K183-V187 VanDerWaalsContact O-CG2 3.23Å; K183-V187 WeakPolarHBondContact O-CG2 3.44Å; K183-V187 PolarHBondContact O-N 3.26Å; D184-V187 PolarHBondContact O-N 2.86Å; D185-V187 VanDerWaalsContact C-N 3.27Å; D185-V187 PolarHBondContact O-N 3.45Å; V187-Y190 PolarHBondContact O-N 3.27Å; V187-L191 HydrophobicContact CG1-CD1 4.1Å; V187-L191 WeakPolarHBondContact O-CG 3.35Å; V187-L191 PolarHBondContact O-N 3.46Å
188K94.4Very high91Very high36 Ų3632.9 Ų32.916%0.15716%0.158CC..Hα-helixtrans-60.9-48.5176.7-74.4172-160.9151.30111.1D184 D185 L191 R192D184-K188 WeakPolarHBondContact O-CG 3.27Å; D184-K188 PolarHBondContact O-N 3.5Å; D184-K188 WeakPolarHBondContact OD2-CE 3.41Å; D184-K188 IonicContact OD2-NZ 2.89Å; D184-K188 PolarHBondContact OD2-NZ 2.94Å; D185-K188 WeakPolarHBondContact O-CB 3.42Å; D185-K188 PolarHBondContact O-N 3.18Å; D185-K188 VanDerWaalsContact O-N 3.11Å; D185-K188 IonicContact OD1-NZ 2.88Å; D185-K188 PolarHBondContact OD1-NZ 2.94Å; K188-L191 PolarHBondContact O-N 2.72Å; K188-R192 VanDerWaalsContact O-CB 3.28Å; K188-R192 WeakPolarHBondContact O-CB 3.21Å; K188-R192 PolarHBondContact O-N 3.47Å
189E93.8Very high91.8Very high29 Ų2932.8 Ų32.814%0.13616%0.158CC..Hα-helixtrans-66.6-39.2-179.9-63.9-44.2139.100111.7Y128 M181 D185 L191 R192 I193 H484Y128-E189 HydrophobicContact CD1-CB 4.14Å; Y128-E189 HydrophobicContact CE1-CB 3.69Å; Y128-E189 HydrophobicContact CE1-CG 4.28Å; Y128-E189 HydrophobicContact CE2-CB 4.24Å; M181-E189 HydrophobicContact CE-CG 4.26Å; M181-E189 HydrophobicContact SD-CG 4.39Å; D185-E189 WeakPolarHBondContact O-CG 3.44Å; D185-E189 PolarHBondContact O-N 3.04Å; E189-L191 PolarHBondContact O-N 2.92Å; E189-R192 WeakPolarHBondContact O-CB 3.46Å; E189-R192 PolarHBondContact O-N 2.83Å; E189-R192 VanDerWaalsContact OE2-CD 3.28Å; E189-R192 WeakPolarHBondContact OE2-CD 3.41Å; E189-I193 WeakPolarHBondContact O-CG1 3.5Å; E189-I193 PolarHBondContact O-N 3.23Å; E189-H484 IonicContact OE2-CE1 2.7Å; E189-H484 PolarHBondContact OE2-CE1 3.11Å; E189-H484 IonicContact OE2-NE2 3.59Å
190Y97.2Very high93.1Very high3 Ų325.1 Ų25.11%0.01212%0.124CC..Hα-helixtrans-55.1-51.4171.6-171.8-73.4000111.3Y103 V106 K107 I110 L125 Q129 A186 V187 R192 I193 A194Y103-Y190 AromaticContact CD2-CD1 3.67Å; Y103-Y190 HydrophobicContact CD2-CD1 3.67Å; Y103-Y190 AromaticContact CD2-CD2 3.96Å; Y103-Y190 HydrophobicContact CD2-CD2 3.96Å; Y103-Y190 AromaticContact CD2-CE1 3.95Å; Y103-Y190 HydrophobicContact CD2-CE1 3.95Å; Y103-Y190 HydrophobicContact CD2-CE2 4.21Å; Y103-Y190 AromaticContact CD2-CG 3.71Å; Y103-Y190 HydrophobicContact CD2-CG 3.71Å; Y103-Y190 HydrophobicContact CE2-CD1 4.31Å; Y103-Y190 AromaticContact CE2-CD2 3.8Å; Y103-Y190 HydrophobicContact CE2-CD2 3.8Å; Y103-Y190 HydrophobicContact CE2-CE1 4.37Å; Y103-Y190 AromaticContact CE2-CE2 3.86Å; Y103-Y190 HydrophobicContact CE2-CE2 3.86Å; Y103-Y190 HydrophobicContact CE2-CG 4.05Å; V106-Y190 HydrophobicContact CG1-CE1 4.06Å; K107-Y190 VanDerWaalsContact CA-OH 3.28Å; K107-Y190 WeakPolarHBondContact CA-OH 3.32Å; K107-Y190 HydrophobicContact CB-CE1 4.29Å; K107-Y190 WeakPolarHBondContact CB-OH 3.09Å; I110-Y190 HydrophobicContact CD1-CE1 4.43Å; L125-Y190 HydrophobicContact CB-CD2 4.14Å; L125-Y190 HydrophobicContact CB-CE2 3.63Å; L125-Y190 HydrophobicContact CD2-CD1 4.04Å; L125-Y190 HydrophobicContact CD2-CD2 3.81Å; L125-Y190 HydrophobicContact CD2-CE1 4.13Å; L125-Y190 HydrophobicContact CD2-CE2 3.92Å; L125-Y190 HydrophobicContact CD2-CG 3.86Å; L125-Y190 VanDerWaalsContact CD2-O 3.32Å; L125-Y190 WeakPolarHBondContact CD2-O 3.46Å; L125-Y190 HydrophobicContact CG-CE2 4.27Å; L125-Y190 WeakPolarHBondContact O-CD2 3.44Å; L125-Y190 VanDerWaalsContact O-CE2 3.26Å; L125-Y190 WeakPolarHBondContact O-CE2 3.42Å; Q129-Y190 HydrophobicContact CB-CE2 4.41Å; A186-Y190 VanDerWaalsContact O-CB 3.24Å; A186-Y190 WeakPolarHBondContact O-CB 3.26Å; A186-Y190 PolarHBondContact O-N 3.25Å; V187-Y190 PolarHBondContact O-N 3.27Å; Y190-R192 VanDerWaalsContact C-N 3.33Å; Y190-I193 PolarHBondContact O-N 3.03Å; Y190-A194 HydrophobicContact CD1-CB 4.38Å; Y190-A194 HydrophobicContact CE1-CB 4.29Å; Y190-A194 WeakPolarHBondContact O-CB 3.48Å; Y190-A194 PolarHBondContact O-N 2.87Å
191L97.6Very high94.2Very high3 Ų320.3 Ų20.32%0.01610%0.101CC..Hα-helixtrans-68-34.3-180-70175.6000112.2P89 L93 R99 F102 V106 V187 K188 E189 A194 Q195P89-L191 HydrophobicContact CB-CB 4.45Å; L93-L191 HydrophobicContact CD1-CD1 3.97Å; R99-L191 HydrophobicContact CB-CD1 4.31Å; F102-L191 HydrophobicContact CB-CD1 3.96Å; F102-L191 HydrophobicContact CB-CD2 4.18Å; V106-L191 HydrophobicContact CB-CD2 4.36Å; V106-L191 HydrophobicContact CG2-CD2 4.07Å; V187-L191 HydrophobicContact CG1-CD1 4.1Å; V187-L191 WeakPolarHBondContact O-CG 3.35Å; V187-L191 PolarHBondContact O-N 3.46Å; K188-L191 PolarHBondContact O-N 2.72Å; E189-L191 PolarHBondContact O-N 2.92Å; L191-A194 PolarHBondContact O-N 3.17Å; L191-Q195 WeakPolarHBondContact O-CB 3.22Å; L191-Q195 PolarHBondContact O-N 3.21Å
192R94.8Very high94.8Very high30 Ų3018.8 Ų18.811%0.11310%0.095CC..Hα-helixtrans-61.6-44.1177.5-173.9-179.5-172.5148.70.2111.3K188 E189 Y190 Q195 K477 D481K188-R192 VanDerWaalsContact O-CB 3.28Å; K188-R192 WeakPolarHBondContact O-CB 3.21Å; K188-R192 PolarHBondContact O-N 3.47Å; E189-R192 WeakPolarHBondContact O-CB 3.46Å; E189-R192 PolarHBondContact O-N 2.83Å; E189-R192 VanDerWaalsContact OE2-CD 3.28Å; E189-R192 WeakPolarHBondContact OE2-CD 3.41Å; Y190-R192 VanDerWaalsContact C-N 3.33Å; R192-Q195 VanDerWaalsContact O-CG 3.29Å; R192-Q195 WeakPolarHBondContact O-CG 3.43Å; R192-Q195 PolarHBondContact O-NE2 3.09Å; R192-Q195 VanDerWaalsContact O-NE2 3.17Å; R192-K477 PolarHBondContact NH2-O 3.29Å; R192-D481 IonicContact CZ-OD1 2.8Å; R192-D481 IonicContact CZ-OD2 3.15Å; R192-D481 IonicContact NE-OD1 2.59Å; R192-D481 PolarHBondContact NE-OD1 2.97Å; R192-D481 IonicContact NH2-OD1 3.01Å; R192-D481 PolarHBondContact NH2-OD1 3.39Å; R192-D481 IonicContact NH2-OD2 2.78Å; R192-D481 PolarHBondContact NH2-OD2 3.19Å
193I95.3Very high95.3Very high8 Ų820.2 Ų20.24%0.04110%0.103CC..Hα-helixtrans-75-42.9177.3-65.8158.5000110.7T121 L124 L125 Y128 E189 Y190 Q195 D196T121-I193 HydrophobicContact CG2-CG2 3.61Å; L124-I193 HydrophobicContact CD2-CD1 3.61Å; L124-I193 HydrophobicContact CD2-CG1 4.49Å; L124-I193 HydrophobicContact CG-CD1 3.87Å; L125-I193 HydrophobicContact CD2-CB 3.93Å; L125-I193 HydrophobicContact CD2-CG2 3.9Å; L125-I193 HydrophobicContact CG-CG2 4.22Å; Y128-I193 HydrophobicContact CD2-CD1 4.16Å; Y128-I193 HydrophobicContact CE2-CD1 3.39Å; E189-I193 WeakPolarHBondContact O-CG1 3.5Å; E189-I193 PolarHBondContact O-N 3.23Å; Y190-I193 PolarHBondContact O-N 3.03Å; I193-Q195 PolarHBondContact O-N 2.7Å; I193-D196 PolarHBondContact O-N 3.38Å
194A97.4Very high95.6Very high0 Ų019.2 Ų19.20%010%0.098CC..Hα-helixtrans-64.5-27.2-177.100000113V106 I110 L125 Y190 L191 D196 L197 F200V106-A194 HydrophobicContact CG1-CB 3.76Å; I110-A194 HydrophobicContact CD1-CB 4.19Å; L125-A194 HydrophobicContact CD1-CB 4.5Å; L125-A194 HydrophobicContact CD2-CB 4.33Å; Y190-A194 HydrophobicContact CD1-CB 4.38Å; Y190-A194 HydrophobicContact CE1-CB 4.29Å; Y190-A194 WeakPolarHBondContact O-CB 3.48Å; Y190-A194 PolarHBondContact O-N 2.87Å; L191-A194 PolarHBondContact O-N 3.17Å; A194-D196 PolarHBondContact O-N 3.07Å; A194-L197 WeakPolarHBondContact O-CB 3.45Å; A194-L197 WeakPolarHBondContact O-CG 3.26Å; A194-L197 PolarHBondContact O-N 2.83Å; A194-F200 HydrophobicContact CB-CD2 4.2Å; A194-F200 HydrophobicContact CB-CE2 4.23Å; A194-F200 VanDerWaalsContact O-CB 3.31Å; A194-F200 WeakPolarHBondContact O-CB 3.29Å; A194-F200 WeakPolarHBondContact O-CD2 3.25Å; A194-F200 WeakPolarHBondContact O-CG 3.37Å
195Q96.1Very high95.9Very high20 Ų2020.3 Ų20.39%0.09310%0.103CC..THydrogen-bonded Turntrans-62.9-27.1179.688.5-176.9-70.800113.1P89 L191 R192 I193 L197 F200 K521P89-Q195 HydrophobicContact CG-CB 4.07Å; L191-Q195 WeakPolarHBondContact O-CB 3.22Å; L191-Q195 PolarHBondContact O-N 3.21Å; R192-Q195 VanDerWaalsContact O-CG 3.29Å; R192-Q195 WeakPolarHBondContact O-CG 3.43Å; R192-Q195 PolarHBondContact O-NE2 3.09Å; R192-Q195 VanDerWaalsContact O-NE2 3.17Å; I193-Q195 PolarHBondContact O-N 2.7Å; Q195-L197 VanDerWaalsContact C-N 3.27Å; Q195-L197 PolarHBondContact O-N 2.87Å; Q195-F200 HydrophobicContact CB-CD1 4.16Å; Q195-F200 HydrophobicContact CB-CE1 3.96Å; Q195-F200 HydrophobicContact CB-CZ 4.23Å; Q195-K521 PolarHBondContact O-NZ 3.32Å
196D94.6Very high96.3Very high80 Ų8023.2 Ų23.243%0.42811%0.114SC..THydrogen-bonded Turntrans-77.1-17.4-176.3-64.9-18.7000111.9I193 A194 E198 Y522I193-D196 PolarHBondContact O-N 3.38Å; A194-D196 PolarHBondContact O-N 3.07Å; D196-E198 PolarHBondContact O-N 2.75Å; D196-Y522 WeakPolarHBondContact OD1-CE2 3.39Å; D196-Y522 PolarHBondContact OD1-OH 2.86Å; D196-Y522 VanDerWaalsContact OD1-OH 3.11Å
197L96.6Very high96.5Very high8 Ų823.2 Ų23.24%0.04212%0.115CC..SBendtrans-61.1136.3174.6-59.5174.8000110.5I110 I115 C117 T121 L125 A194 Q195 M199 F200 K521I110-L197 HydrophobicContact CD1-CD1 3.68Å; I110-L197 HydrophobicContact CG1-CD1 4.14Å; I115-L197 HydrophobicContact CG2-CB 4.12Å; I115-L197 HydrophobicContact CG2-CD1 3.71Å; C117-L197 HydrophobicContact CB-CD1 4.18Å; C117-L197 HydrophobicContact CB-CD2 4.4Å; T121-L197 HydrophobicContact CG2-CD2 4.13Å; L125-L197 HydrophobicContact CD1-CD1 4.49Å; A194-L197 WeakPolarHBondContact O-CB 3.45Å; A194-L197 WeakPolarHBondContact O-CG 3.26Å; A194-L197 PolarHBondContact O-N 2.83Å; Q195-L197 VanDerWaalsContact C-N 3.27Å; Q195-L197 PolarHBondContact O-N 2.87Å; L197-M199 PolarHBondContact O-N 2.8Å; L197-F200 HydrophobicContact CB-CB 4.25Å; L197-F200 VanDerWaalsContact O-CB 3.26Å; L197-F200 WeakPolarHBondContact O-CB 3.32Å; L197-F200 PolarHBondContact O-N 3Å; L197-K521 PolarHBondContact O-NZ 2.68Å
198E95.8Very high96.6Very high20 Ų2026.6 Ų26.69%0.09313%0.129CC..THydrogen-bonded Turntrans-59.9-36.3-171.3-69.375.8-16700112.3D196 L233D196-E198 PolarHBondContact O-N 2.75Å; E198-L233 HydrophobicContact CB-CB 4.3Å; E198-L233 HydrophobicContact CB-CD2 4.05Å; E198-L233 WeakPolarHBondContact CB-O 3.37Å; E198-L233 HydrophobicContact CG-CB 4.26Å; E198-L233 HydrophobicContact CG-CD2 4.45Å
199M97.3Very high96.7Very high16 Ų1624.9 Ų24.98%0.07912%0.122CC..THydrogen-bonded Turntrans-91.1-2.3-177.4-60.3176.371.900113.4K114 I115 L197 G201 V202 F204 L233 I507K114-M199 WeakPolarHBondContact O-CE 3.45Å; I115-M199 HydrophobicContact CG2-CB 4.36Å; L197-M199 PolarHBondContact O-N 2.8Å; M199-G201 PolarHBondContact O-N 2.81Å; M199-V202 PolarHBondContact O-N 2.84Å; M199-F204 HydrophobicContact CB-CE2 4.24Å; M199-F204 HydrophobicContact CE-CD2 4.22Å; M199-F204 HydrophobicContact CE-CE2 3.54Å; M199-F204 HydrophobicContact CE-CZ 4.18Å; M199-F204 HydrophobicContact CG-CE2 4.13Å; M199-F204 HydrophobicContact CG-CZ 4.14Å; M199-L233 HydrophobicContact CG-CD2 4.18Å; M199-L233 HydrophobicContact SD-CD2 4.18Å; M199-I507 HydrophobicContact SD-CD1 4.27Å
200F97.4Very high96.7Very high12 Ų1228.8 Ų28.85%0.05314%0.14CC..THydrogen-bonded Turntrans-61.6125.6-179.3177.2-87.7000111.6Y85 P89 V106 A194 Q195 L197 V202 K521Y85-F200 HydrophobicContact CD1-CD1 4.23Å; Y85-F200 AromaticContact CD1-CE1 3.62Å; Y85-F200 HydrophobicContact CD1-CE1 3.62Å; Y85-F200 HydrophobicContact CD1-CE2 4.27Å; Y85-F200 AromaticContact CD1-CZ 3.64Å; Y85-F200 HydrophobicContact CD1-CZ 3.64Å; Y85-F200 HydrophobicContact CE1-CD2 4.49Å; Y85-F200 HydrophobicContact CE1-CE1 4.17Å; Y85-F200 HydrophobicContact CE1-CE2 4.02Å; Y85-F200 AromaticContact CE1-CZ 3.84Å; Y85-F200 HydrophobicContact CE1-CZ 3.84Å; P89-F200 HydrophobicContact CG-CE1 3.85Å; P89-F200 HydrophobicContact CG-CZ 3.74Å; V106-F200 HydrophobicContact CB-CE2 4.47Å; V106-F200 HydrophobicContact CG1-CD2 4.1Å; V106-F200 HydrophobicContact CG1-CE2 3.91Å; V106-F200 HydrophobicContact CG2-CD2 4.34Å; V106-F200 HydrophobicContact CG2-CE2 3.64Å; V106-F200 HydrophobicContact CG2-CZ 4.43Å; A194-F200 HydrophobicContact CB-CD2 4.2Å; A194-F200 HydrophobicContact CB-CE2 4.23Å; A194-F200 VanDerWaalsContact O-CB 3.31Å; A194-F200 WeakPolarHBondContact O-CB 3.29Å; A194-F200 WeakPolarHBondContact O-CD2 3.25Å; A194-F200 WeakPolarHBondContact O-CG 3.37Å; Q195-F200 HydrophobicContact CB-CD1 4.16Å; Q195-F200 HydrophobicContact CB-CE1 3.96Å; Q195-F200 HydrophobicContact CB-CZ 4.23Å; L197-F200 HydrophobicContact CB-CB 4.25Å; L197-F200 VanDerWaalsContact O-CB 3.26Å; L197-F200 WeakPolarHBondContact O-CB 3.32Å; L197-F200 PolarHBondContact O-N 3Å; F200-V202 PolarHBondContact O-N 3.39Å; F200-K521 PolarHBondContact O-NZ 3.41Å
201G96.7Very high96.6Very high11 Ų1135.1 Ų35.111%0.11317%0.167CC..THydrogen-bonded Turntrans71.65.2179.100000115.1Y85 M199Y85-G201 VanDerWaalsContact CG-CA 3.46Å; M199-G201 PolarHBondContact O-N 2.81Å
202V97.8Very high96.4Very high13 Ų1342.8 Ų42.88%0.07920%0.201CC..PPolyproline II helixtrans-93.5124.4-178.6-171.40000110.4M199 F200 F204 D220M199-V202 PolarHBondContact O-N 2.84Å; F200-V202 PolarHBondContact O-N 3.39Å; V202-F204 HydrophobicContact CB-CE2 3.95Å; V202-F204 HydrophobicContact CB-CZ 3.97Å; V202-F204 HydrophobicContact CG1-CD1 4.16Å; V202-F204 HydrophobicContact CG1-CD2 4.27Å; V202-F204 HydrophobicContact CG1-CE1 3.73Å; V202-F204 HydrophobicContact CG1-CE2 3.84Å; V202-F204 HydrophobicContact CG1-CG 4.42Å; V202-F204 HydrophobicContact CG1-CZ 3.56Å; V202-D220 HydrophobicContact CG2-CB 4.32Å
203T96.9Very high96.6Very high46 Ų4643.7 Ų43.728%0.28221%0.21SC..EExtended strand (participates in β ladder)trans-99.8117.4169.3-55.60000110.4F205 G218 I219 L282T203-F205 HydrophobicContact CG2-CD2 4.39Å; T203-F205 HydrophobicContact CG2-CE2 3.56Å; T203-F205 HydrophobicContact CG2-CZ 3.78Å; T203-G218 WeakPolarHBondContact O-CA 3.24Å; T203-I219 PolarHBondContact N-O 3.48Å; T203-I219 PolarHBondContact O-N 3.42Å; T203-L282 HydrophobicContact CG2-CD2 3.71Å
204F97.6Very high96.7Very high40 Ų4046.5 Ų46.518%0.17523%0.225CC..EExtended strand (participates in β ladder)trans-90.1140.1-177.7-64.5-80.4000113.3M199 V202 W216 L217 Y227 Q232M199-F204 HydrophobicContact CB-CE2 4.24Å; M199-F204 HydrophobicContact CE-CD2 4.22Å; M199-F204 HydrophobicContact CE-CE2 3.54Å; M199-F204 HydrophobicContact CE-CZ 4.18Å; M199-F204 HydrophobicContact CG-CE2 4.13Å; M199-F204 HydrophobicContact CG-CZ 4.14Å; V202-F204 HydrophobicContact CB-CE2 3.95Å; V202-F204 HydrophobicContact CB-CZ 3.97Å; V202-F204 HydrophobicContact CG1-CD1 4.16Å; V202-F204 HydrophobicContact CG1-CD2 4.27Å; V202-F204 HydrophobicContact CG1-CE1 3.73Å; V202-F204 HydrophobicContact CG1-CE2 3.84Å; V202-F204 HydrophobicContact CG1-CG 4.42Å; V202-F204 HydrophobicContact CG1-CZ 3.56Å; F204-W216 HydrophobicContact CB-CE3 3.88Å; F204-W216 HydrophobicContact CB-CZ3 4.11Å; F204-W216 HydrophobicContact CD1-CB 4.31Å; F204-L217 CarbonylContact C-O 3.55Å; F204-L217 VanDerWaalsContact CA-O 3.28Å; F204-L217 WeakPolarHBondContact CA-O 3.41Å; F204-Y227 HydrophobicContact CD1-CE2 4.49Å; F204-Y227 HydrophobicContact CE1-CD2 4.04Å; F204-Y227 HydrophobicContact CE1-CE1 4.26Å; F204-Y227 AromaticContact CE1-CE2 3.81Å; F204-Y227 HydrophobicContact CE1-CE2 3.81Å; F204-Y227 HydrophobicContact CE1-CG 4.43Å; F204-Y227 AromaticContact CE1-CZ 3.94Å; F204-Q232 HydrophobicContact CE1-CB 4.12Å; F204-Q232 HydrophobicContact CE1-CG 4.38Å; F204-Q232 HydrophobicContact CZ-CB 4.14Å
205F97.5Very high96.7Very high27 Ų2746.7 Ų46.712%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-132.9135171.3-62.8-88.5000110.1T203 I207 L217 I219 T275 L278 I279 L282T203-F205 HydrophobicContact CG2-CD2 4.39Å; T203-F205 HydrophobicContact CG2-CE2 3.56Å; T203-F205 HydrophobicContact CG2-CZ 3.78Å; F205-I207 PolarHBondContact O-N 3.18Å; F205-L217 HydrophobicContact CB-CB 4.38Å; F205-L217 PolarHBondContact N-O 3.44Å; F205-L217 PolarHBondContact O-N 3.4Å; F205-I219 HydrophobicContact CD2-CD1 3.83Å; F205-I219 HydrophobicContact CD2-CG1 4.22Å; F205-I219 HydrophobicContact CE2-CD1 3.58Å; F205-I219 HydrophobicContact CE2-CG1 4.2Å; F205-T275 HydrophobicContact CD1-CG2 3.78Å; F205-L278 HydrophobicContact CE1-CB 4Å; F205-L278 HydrophobicContact CE1-CD1 4.49Å; F205-L278 HydrophobicContact CZ-CB 4.34Å; F205-I279 HydrophobicContact CB-CD1 3.94Å; F205-I279 HydrophobicContact CB-CG1 4.19Å; F205-I279 HydrophobicContact CD1-CD1 4.26Å; F205-I279 HydrophobicContact CD1-CG1 3.8Å; F205-I279 HydrophobicContact CD2-CD1 4.39Å; F205-I279 HydrophobicContact CD2-CG1 3.74Å; F205-I279 HydrophobicContact CE1-CG1 4.05Å; F205-I279 HydrophobicContact CE2-CG1 4.01Å; F205-I279 HydrophobicContact CG-CD1 3.94Å; F205-I279 HydrophobicContact CG-CG1 3.62Å; F205-I279 HydrophobicContact CZ-CG1 4.15Å; F205-L282 HydrophobicContact CE2-CD2 3.98Å; F205-L282 HydrophobicContact CZ-CD2 4.21Å
206K97.7Very high96.8Very high83 Ų8347.4 Ų47.436%0.36123%0.228SC..EExtended strand (participates in β ladder)trans-68.8129.8169.7-62.9-170.8-177.9-168.20109.6W216 Y229K206-W216 HydrophobicContact CB-CZ3 4.34Å; K206-W216 HydrophobicContact CD-CH2 4.01Å; K206-W216 HydrophobicContact CD-CZ2 4.46Å; K206-W216 HydrophobicContact CD-CZ3 4.35Å; K206-W216 HydrophobicContact CG-CD2 4.46Å; K206-W216 HydrophobicContact CG-CE3 3.84Å; K206-W216 HydrophobicContact CG-CH2 3.43Å; K206-W216 VanDerWaalsContact CG-CH2 3.43Å; K206-W216 HydrophobicContact CG-CZ2 4.06Å; K206-W216 HydrophobicContact CG-CZ3 3.29Å; K206-Y229 HydrophobicContact CD-CE2 4.14Å; K206-Y229 HydrophobicContact CG-CE2 4.42Å; K206-Y229 PolarHBondContact NZ-OH 2.99Å
207I98.3Very high97Very high1 Ų143.6 Ų43.61%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-137.1166.3178.260.2155.8000110.5F205 L215 L217 I226 F268 Y269 T270 I279 F540F205-I207 PolarHBondContact O-N 3.18Å; I207-L215 HydrophobicContact CD1-CB 4.41Å; I207-L215 HydrophobicContact CG1-CB 4.05Å; I207-L215 PolarHBondContact N-O 3Å; I207-L215 PolarHBondContact O-N 2.92Å; I207-L215 VanDerWaalsContact O-O 3.13Å; I207-L217 HydrophobicContact CD1-CB 3.92Å; I207-L217 HydrophobicContact CG1-CB 4.04Å; I207-L217 HydrophobicContact CG2-CB 3.82Å; I207-L217 HydrophobicContact CG2-CD2 4.37Å; I207-I226 HydrophobicContact CD1-CD1 3.81Å; I207-F268 HydrophobicContact CB-CD2 3.96Å; I207-F268 HydrophobicContact CD1-CB 4.1Å; I207-F268 HydrophobicContact CD1-CD2 4.26Å; I207-F268 HydrophobicContact CD1-CG 4.11Å; I207-F268 HydrophobicContact CG2-CD2 3.6Å; I207-F268 HydrophobicContact CG2-CE2 3.8Å; I207-Y269 CarbonylContact C-O 3.55Å; I207-Y269 WeakPolarHBondContact CA-O 3.31Å; I207-T270 HydrophobicContact CG2-CG2 4.3Å; I207-I279 HydrophobicContact CG2-CD1 4.47Å; I207-F540 HydrophobicContact CD1-CE2 4.21Å
208K98.4Very high97.1Very high72 Ų7243.2 Ų43.231%0.31321%0.205SC..EExtended strand (participates in β ladder)trans-129.6144172.9-67.7-178.4174.1-174.20111T213 D214 F268 Y269K208-T213 VanDerWaalsContact CA-O 3.27Å; K208-T213 WeakPolarHBondContact CA-O 3.45Å; K208-D214 WeakPolarHBondContact CE-OD1 3.41Å; K208-D214 IonicContact NZ-OD1 3.41Å; K208-D214 PolarHBondContact NZ-OD1 3.13Å; K208-D214 IonicContact NZ-OD2 3.24Å; K208-F268 CarbonylContact O-C 3.58Å; K208-F268 WeakPolarHBondContact O-CA 3.46Å; K208-F268 WeakPolarHBondContact O-CB 3.49Å; K208-Y269 PolarHBondContact N-O 3.46Å; K208-Y269 PolarHBondContact O-N 3.32Å
209N96.1Very high97.2Very high1 Ų142.3 Ų42.31%0.00520%0.201CC..  trans-83.7-172.9168.8704.6000111.4K211 K212 T213 L215 F540 M543N209-K211 VanDerWaalsContact C-N 3.27Å; N209-K211 PolarHBondContact O-N 3.22Å; N209-K211 WeakPolarHBondContact OD1-CA 3.49Å; N209-K211 WeakPolarHBondContact OD1-CB 3.49Å; N209-K211 PolarHBondContact OD1-N 3.34Å; N209-K212 PolarHBondContact O-N 3Å; N209-K212 VanDerWaalsContact O-N 3.08Å; N209-K212 PolarHBondContact OD1-N 2.71Å; N209-T213 PolarHBondContact N-O 3.36Å; N209-T213 PolarHBondContact OD1-N 3.16Å; N209-T213 PolarHBondContact OD1-OG1 2.89Å; N209-L215 HydrophobicContact CB-CD1 4.34Å; N209-F540 HydrophobicContact CB-CE1 3.69Å; N209-F540 HydrophobicContact CB-CE2 4.15Å; N209-F540 HydrophobicContact CB-CZ 3.47Å; N209-F540 VanDerWaalsContact CB-CZ 3.47Å; N209-M543 PolarHBondContact ND2-OXT 2.81Å
210E93.5Very high97.2Very high111 Ų11142.2 Ų42.252%0.51920%0.201SC..THydrogen-bonded Turntrans-65.4-29.1178.4-59.9-153138.700113.4K212 Y269E210-K212 PolarHBondContact O-N 3.31Å; E210-Y269 HydrophobicContact CG-CE2 4.2Å
211K94.3Very high97.1Very high135 Ų13542 Ų4259%0.58720%0.201SC*.THydrogen-bonded Turntrans-76.4-1.8173.6-65.4175.4177.9163.10113.5N209 T213 E541 S542N209-K211 VanDerWaalsContact C-N 3.27Å; N209-K211 PolarHBondContact O-N 3.22Å; N209-K211 WeakPolarHBondContact OD1-CA 3.49Å; N209-K211 WeakPolarHBondContact OD1-CB 3.49Å; N209-K211 PolarHBondContact OD1-N 3.34Å; K211-T213 VanDerWaalsContact C-N 3.26Å; K211-T213 PolarHBondContact O-N 3.15Å; K211-E541 WeakPolarHBondContact CE-O 3.41Å; K211-E541 PolarHBondContact NZ-O 3.49Å; K211-S542 PolarHBondContact NZ-O 2.93Å
212K95Very high97.1Very high164 Ų16443.2 Ų43.271%0.71321%0.205SC*.  trans6621.8-176.6-51.2176-179.4172.70114N209 E210 D214N209-K212 PolarHBondContact O-N 3Å; N209-K212 VanDerWaalsContact O-N 3.08Å; N209-K212 PolarHBondContact OD1-N 2.71Å; E210-K212 PolarHBondContact O-N 3.31Å; K212-D214 PolarHBondContact O-N 3.33Å
213T97.4Very high97Very high49 Ų4942.6 Ų42.630%0.30120%0.201SC..  trans-65.2129170.7-50.80000109.4K208 N209 K211 L215 M543K208-T213 VanDerWaalsContact CA-O 3.27Å; K208-T213 WeakPolarHBondContact CA-O 3.45Å; N209-T213 PolarHBondContact N-O 3.36Å; N209-T213 PolarHBondContact OD1-N 3.16Å; N209-T213 PolarHBondContact OD1-OG1 2.89Å; K211-T213 VanDerWaalsContact C-N 3.26Å; K211-T213 PolarHBondContact O-N 3.15Å; T213-L215 HydrophobicContact CG2-CD2 4.24Å; T213-L215 HydrophobicContact CG2-CG 4.28Å; T213-M543 WeakPolarHBondContact CG2-O 3.27Å; T213-M543 PolarHBondContact OG1-O 3.44Å
214D97.8Very high97Very high67 Ų6740.4 Ų40.436%0.35819%0.188SC..EExtended strand (participates in β ladder)trans-69.5128.3171.6-75.8-68.5000109.9K208 K212 Y229K208-D214 WeakPolarHBondContact CE-OD1 3.41Å; K208-D214 IonicContact NZ-OD1 3.41Å; K208-D214 PolarHBondContact NZ-OD1 3.13Å; K208-D214 IonicContact NZ-OD2 3.24Å; K212-D214 PolarHBondContact O-N 3.33Å; D214-Y229 HydrophobicContact CB-CD2 3.93Å; D214-Y229 HydrophobicContact CB-CE2 4.34Å; D214-Y229 HydrophobicContact CB-CG 4.11Å; D214-Y229 WeakPolarHBondContact O-CB 3.36Å
215L98.1Very high97Very high5 Ų538.5 Ų38.53%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-142.7164.6-177.6-65.5171.3000110I207 N209 T213 I226 F540 M543I207-L215 HydrophobicContact CD1-CB 4.41Å; I207-L215 HydrophobicContact CG1-CB 4.05Å; I207-L215 PolarHBondContact N-O 3Å; I207-L215 PolarHBondContact O-N 2.92Å; I207-L215 VanDerWaalsContact O-O 3.13Å; N209-L215 HydrophobicContact CB-CD1 4.34Å; T213-L215 HydrophobicContact CG2-CD2 4.24Å; T213-L215 HydrophobicContact CG2-CG 4.28Å; L215-I226 HydrophobicContact CB-CG2 4.29Å; L215-I226 HydrophobicContact CD1-CG2 4.13Å; L215-F540 HydrophobicContact CD1-CD2 4.1Å; L215-F540 HydrophobicContact CD1-CE2 3.58Å; L215-F540 HydrophobicContact CD1-CZ 4.38Å; L215-M543 HydrophobicContact CD1-CB 4.46Å; L215-M543 HydrophobicContact CD2-CB 4.46Å; L215-M543 HydrophobicContact CD2-CE 3.83Å
216W98.1Very high97.1Very high35 Ų3537.2 Ų37.213%0.13317%0.174CC..EExtended strand (participates in β ladder)trans-105.7132.9171.2-69.9109.9000111.4F204 K206 I226 Y227 Y229 Q232F204-W216 HydrophobicContact CB-CE3 3.88Å; F204-W216 HydrophobicContact CB-CZ3 4.11Å; F204-W216 HydrophobicContact CD1-CB 4.31Å; K206-W216 HydrophobicContact CB-CZ3 4.34Å; K206-W216 HydrophobicContact CD-CH2 4.01Å; K206-W216 HydrophobicContact CD-CZ2 4.46Å; K206-W216 HydrophobicContact CD-CZ3 4.35Å; K206-W216 HydrophobicContact CG-CD2 4.46Å; K206-W216 HydrophobicContact CG-CE3 3.84Å; K206-W216 HydrophobicContact CG-CH2 3.43Å; K206-W216 VanDerWaalsContact CG-CH2 3.43Å; K206-W216 HydrophobicContact CG-CZ2 4.06Å; K206-W216 HydrophobicContact CG-CZ3 3.29Å; W216-I226 CarbonylContact O-C 3.46Å; W216-I226 WeakPolarHBondContact O-CA 3.35Å; W216-Y227 HydrophobicContact CB-CD2 4.44Å; W216-Y227 PolarHBondContact N-O 3.06Å; W216-Y227 PolarHBondContact O-N 3.26Å; W216-Y229 AromaticContact CE2-CE2 3.97Å; W216-Y229 HydrophobicContact CZ2-CE2 4.02Å; W216-Y229 AromaticContact NE1-CD2 3.61Å; W216-Y229 AromaticContact NE1-CE2 3.96Å; W216-Y229 PolarHBondContact NE1-O 3.08Å; W216-Q232 HydrophobicContact CD2-CG 4.43Å; W216-Q232 HydrophobicContact CG-CG 4.05Å
217L98.4Very high97.1Very high0 Ų033.5 Ų33.50%016%0.157CC..EExtended strand (participates in β ladder)trans-97.8116164.1177.472000108.6F204 F205 I207 I219 L224 N225 I226 F268 I279F204-L217 CarbonylContact C-O 3.55Å; F204-L217 VanDerWaalsContact CA-O 3.28Å; F204-L217 WeakPolarHBondContact CA-O 3.41Å; F205-L217 HydrophobicContact CB-CB 4.38Å; F205-L217 PolarHBondContact N-O 3.44Å; F205-L217 PolarHBondContact O-N 3.4Å; I207-L217 HydrophobicContact CD1-CB 3.92Å; I207-L217 HydrophobicContact CG1-CB 4.04Å; I207-L217 HydrophobicContact CG2-CB 3.82Å; I207-L217 HydrophobicContact CG2-CD2 4.37Å; L217-I219 HydrophobicContact CD2-CD1 4.13Å; L217-I219 HydrophobicContact CD2-CG1 4.18Å; L217-I219 HydrophobicContact CG-CG1 4.15Å; L217-L224 HydrophobicContact CD1-CB 4.09Å; L217-L224 HydrophobicContact CD1-CD2 4.3Å; L217-N225 CarbonylContact C-O 3.52Å; L217-N225 WeakPolarHBondContact CA-O 3.49Å; L217-I226 HydrophobicContact CD1-CD1 3.62Å; L217-F268 HydrophobicContact CD2-CE2 4.05Å; L217-F268 HydrophobicContact CD2-CZ 3.76Å; L217-I279 HydrophobicContact CD2-CD1 3.81Å; L217-I279 HydrophobicContact CD2-CG1 4.16Å; L217-I279 HydrophobicContact CD2-CG2 3.86Å
218G98.3Very high97Very high0 Ų036.7 Ų36.70%017%0.173CC..EExtended strand (participates in β ladder)trans-94.8134.5165.700000111T203 N225T203-G218 WeakPolarHBondContact O-CA 3.24Å; G218-N225 PolarHBondContact N-O 3.02Å; G218-N225 PolarHBondContact O-N 2.82Å
219I98.4Very high96.8Very high1 Ų138.2 Ų38.21%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-117.2123.3175.3-51-177.1000107.9T203 F205 L217 L224 W241 I279 L282T203-I219 PolarHBondContact N-O 3.48Å; T203-I219 PolarHBondContact O-N 3.42Å; F205-I219 HydrophobicContact CD2-CD1 3.83Å; F205-I219 HydrophobicContact CD2-CG1 4.22Å; F205-I219 HydrophobicContact CE2-CD1 3.58Å; F205-I219 HydrophobicContact CE2-CG1 4.2Å; L217-I219 HydrophobicContact CD2-CD1 4.13Å; L217-I219 HydrophobicContact CD2-CG1 4.18Å; L217-I219 HydrophobicContact CG-CG1 4.15Å; I219-L224 HydrophobicContact CB-CD2 4.44Å; I219-L224 HydrophobicContact CD1-CD2 4.25Å; I219-L224 HydrophobicContact CG1-CD2 3.84Å; I219-L224 HydrophobicContact CG2-CD2 4.2Å; I219-W241 HydrophobicContact CG2-CH2 4.09Å; I219-W241 HydrophobicContact CG2-CZ2 3.92Å; I219-I279 HydrophobicContact CD1-CB 4.31Å; I219-I279 HydrophobicContact CD1-CG1 4.3Å; I219-I279 HydrophobicContact CD1-CG2 3.9Å; I219-L282 HydrophobicContact CB-CD2 4.22Å; I219-L282 HydrophobicContact CD1-CD2 4.27Å; I219-L282 HydrophobicContact CG2-CD2 4.29Å; I219-L282 HydrophobicContact CG2-CG 4.22Å
220D97.2Very high96.7Very high14 Ų1443.6 Ų43.68%0.07521%0.206CC..  trans-133.6-170.2-179.16919.2000112.2V202 L222 G223 N225 W241V202-D220 HydrophobicContact CG2-CB 4.32Å; D220-L222 PolarHBondContact O-N 2.79Å; D220-L222 WeakPolarHBondContact OD1-CA 3.46Å; D220-L222 PolarHBondContact OD1-N 2.9Å; D220-G223 PolarHBondContact N-O 3.46Å; D220-G223 PolarHBondContact OD1-N 2.83Å; D220-N225 PolarHBondContact OD2-ND2 3.48Å; D220-W241 PolarHBondContact O-NE1 3.31Å
221A96.5Very high96.8Very high7 Ų739.3 Ų39.36%0.05819%0.186CC..SBendtrans-67.3-19.7179.500000113.8Y85 E87 W241Y85-A221 WeakPolarHBondContact O-CB 3.27Å; E87-A221 HydrophobicContact CG-CB 3.99Å; A221-W241 VanDerWaalsContact O-CD1 3.23Å; A221-W241 PolarHBondContact O-NE1 3.19Å
222L95.1Very high96.8Very high37 Ų3735.2 Ų35.219%0.19417%0.169CC..SBendtrans-105.7-29.5-170.9-63.2170.1000113.4E87 D220 P240 W241 L525 R529E87-L222 HydrophobicContact CB-CD2 4.37Å; E87-L222 HydrophobicContact CG-CD2 3.72Å; E87-L222 HydrophobicContact CG-CG 4.46Å; E87-L222 WeakPolarHBondContact OE2-CD2 3.38Å; D220-L222 PolarHBondContact O-N 2.79Å; D220-L222 WeakPolarHBondContact OD1-CA 3.46Å; D220-L222 PolarHBondContact OD1-N 2.9Å; L222-P240 WeakPolarHBondContact O-CA 3.48Å; L222-W241 PolarHBondContact O-N 3.07Å; L222-L525 HydrophobicContact CD1-CD1 4.36Å; L222-R529 VanDerWaalsContact CB-NH2 3.33Å
223G96.4Very high96.8Very high0 Ų027.7 Ų27.70%014%0.137CC..EExtended strand (participates in β ladder)trans175.2-156.7179.800000115.7D220 F239 W241D220-G223 PolarHBondContact N-O 3.46Å; D220-G223 PolarHBondContact OD1-N 2.83Å; G223-F239 VanDerWaalsContact CA-O 3.32Å; G223-F239 WeakPolarHBondContact CA-O 3.21Å; G223-W241 VanDerWaalsContact CA-CE2 3.45Å; G223-W241 VanDerWaalsContact N-NE1 3.15Å; G223-W241 WeakPolarHBondContact O-CZ2 3.3Å
224L98.1Very high96.7Very high0 Ų026 Ų260%013%0.128CC..EExtended strand (participates in β ladder)trans-104130.3169.7-58.2176.7000109.1L217 I219 T238 F239 W241 I244 L247 V256L217-L224 HydrophobicContact CD1-CB 4.09Å; L217-L224 HydrophobicContact CD1-CD2 4.3Å; I219-L224 HydrophobicContact CB-CD2 4.44Å; I219-L224 HydrophobicContact CD1-CD2 4.25Å; I219-L224 HydrophobicContact CG1-CD2 3.84Å; I219-L224 HydrophobicContact CG2-CD2 4.2Å; L224-T238 CarbonylContact O-C 3.51Å; L224-T238 WeakPolarHBondContact O-CA 3.28Å; L224-F239 HydrophobicContact CB-CB 4.27Å; L224-F239 PolarHBondContact N-O 2.82Å; L224-F239 PolarHBondContact O-N 3.01Å; L224-W241 HydrophobicContact CD1-CZ3 4.44Å; L224-W241 HydrophobicContact CD2-CH2 3.44Å; L224-W241 VanDerWaalsContact CD2-CH2 3.44Å; L224-W241 HydrophobicContact CD2-CZ2 4.32Å; L224-W241 HydrophobicContact CD2-CZ3 3.99Å; L224-W241 HydrophobicContact CG-CH2 3.79Å; L224-W241 HydrophobicContact CG-CZ3 3.87Å; L224-I244 HydrophobicContact CD1-CD1 3.85Å; L224-I244 HydrophobicContact CG-CD1 4.03Å; L224-L247 HydrophobicContact CD1-CD2 4.21Å; L224-V256 HydrophobicContact CD1-CG1 4.12Å; L224-V256 HydrophobicContact CD1-CG2 3.75Å
225N97.6Very high96.6Very high0 Ų023.2 Ų23.20%011%0.114CC..EExtended strand (participates in β ladder)trans-121.6136.6-179.5-57.3-51.3000109.6L217 G218 D220 Y227 P235 V237 T238L217-N225 CarbonylContact C-O 3.52Å; L217-N225 WeakPolarHBondContact CA-O 3.49Å; G218-N225 PolarHBondContact N-O 3.02Å; G218-N225 PolarHBondContact O-N 2.82Å; D220-N225 PolarHBondContact OD2-ND2 3.48Å; N225-Y227 HydrophobicContact CB-CD2 4.4Å; N225-Y227 HydrophobicContact CB-CE2 3.5Å; N225-P235 HydrophobicContact CB-CB 3.86Å; N225-P235 HydrophobicContact CB-CG 4.43Å; N225-V237 CarbonylContact C-O 3.49Å; N225-V237 WeakPolarHBondContact CA-O 3.3Å; N225-T238 WeakPolarHBondContact OD1-CB 3.43Å; N225-T238 PolarHBondContact OD1-OG1 3.11Å
226I98Very high96.4Very high0 Ų026.4 Ų26.40%013%0.127CC..EExtended strand (participates in β ladder)trans-107.9131.7176.7-47.2-64.7000109I207 L215 W216 L217 P235 K236 V237 F239 F540I207-I226 HydrophobicContact CD1-CD1 3.81Å; L215-I226 HydrophobicContact CB-CG2 4.29Å; L215-I226 HydrophobicContact CD1-CG2 4.13Å; W216-I226 CarbonylContact O-C 3.46Å; W216-I226 WeakPolarHBondContact O-CA 3.35Å; L217-I226 HydrophobicContact CD1-CD1 3.62Å; I226-P235 CarbonylContact O-C 3.47Å; I226-P235 WeakPolarHBondContact O-CA 3.33Å; I226-K236 PolarHBondContact O-N 3.4Å; I226-V237 HydrophobicContact CB-CB 4.12Å; I226-V237 HydrophobicContact CG1-CB 4.23Å; I226-V237 PolarHBondContact N-O 2.93Å; I226-V237 PolarHBondContact O-N 3.3Å; I226-F239 HydrophobicContact CG1-CE2 4.27Å; I226-F540 HydrophobicContact CB-CD2 4.36Å; I226-F540 HydrophobicContact CD1-CD2 4.37Å; I226-F540 HydrophobicContact CD1-CE2 4.25Å; I226-F540 HydrophobicContact CG1-CD2 3.95Å; I226-F540 HydrophobicContact CG1-CE2 4.31Å; I226-F540 HydrophobicContact CG2-CD2 3.86Å; I226-F540 HydrophobicContact CG2-CE2 4Å
227Y97.6Very high96.2Very high4 Ų424.8 Ų24.82%0.01612%0.121CC..EExtended strand (participates in β ladder)trans-122.9152.1178.7-47.4-116.9000110.1F204 W216 N225 N231 Q232 P235F204-Y227 HydrophobicContact CD1-CE2 4.49Å; F204-Y227 HydrophobicContact CE1-CD2 4.04Å; F204-Y227 HydrophobicContact CE1-CE1 4.26Å; F204-Y227 AromaticContact CE1-CE2 3.81Å; F204-Y227 HydrophobicContact CE1-CE2 3.81Å; F204-Y227 HydrophobicContact CE1-CG 4.43Å; F204-Y227 AromaticContact CE1-CZ 3.94Å; W216-Y227 HydrophobicContact CB-CD2 4.44Å; W216-Y227 PolarHBondContact N-O 3.06Å; W216-Y227 PolarHBondContact O-N 3.26Å; N225-Y227 HydrophobicContact CB-CD2 4.4Å; N225-Y227 HydrophobicContact CB-CE2 3.5Å; Y227-N231 VanDerWaalsContact CB-O 3.31Å; Y227-N231 WeakPolarHBondContact CB-O 3.34Å; Y227-Q232 WeakPolarHBondContact CD1-O 3.47Å; Y227-Q232 VanDerWaalsContact CE1-O 3.31Å; Y227-Q232 WeakPolarHBondContact CE1-O 3.43Å; Y227-P235 HydrophobicContact CD1-CB 3.92Å; Y227-P235 HydrophobicContact CD2-CB 4.35Å; Y227-P235 HydrophobicContact CE1-CB 3.63Å; Y227-P235 VanDerWaalsContact CE1-CD 3.42Å; Y227-P235 HydrophobicContact CE1-CG 3.85Å; Y227-P235 VanDerWaalsContact CE1-N 3.35Å; Y227-P235 HydrophobicContact CE2-CB 4.05Å; Y227-P235 HydrophobicContact CG-CB 4.25Å
228E96.2Very high96.1Very high69 Ų6924.9 Ų24.932%0.32212%0.122SC..EExtended strand (participates in β ladder)trans-64.5152.8167.9-68.7168.8161.800109.6D230 N231 K236 M543E228-D230 WeakPolarHBondContact CB-OD1 3.29Å; E228-D230 PolarHBondContact O-N 3.01Å; E228-N231 PolarHBondContact O-N 3.09Å; E228-K236 HydrophobicContact CG-CG 4.03Å; E228-K236 VanDerWaalsContact OE1-CE 3.27Å; E228-K236 WeakPolarHBondContact OE1-CE 3.35Å; E228-K236 WeakPolarHBondContact OE2-CE 3.35Å; E228-K236 IonicContact OE2-NZ 3.68Å; E228-M543 HydrophobicContact CG-CE 3.59Å
229Y95.3Very high95.9Very high104 Ų10425.1 Ų25.141%0.40812%0.123SC..THydrogen-bonded Turntrans-66-28.2-172.2-168.4-108.4000113.6K206 D214 W216K206-Y229 HydrophobicContact CD-CE2 4.14Å; K206-Y229 HydrophobicContact CG-CE2 4.42Å; K206-Y229 PolarHBondContact NZ-OH 2.99Å; D214-Y229 HydrophobicContact CB-CD2 3.93Å; D214-Y229 HydrophobicContact CB-CE2 4.34Å; D214-Y229 HydrophobicContact CB-CG 4.11Å; D214-Y229 WeakPolarHBondContact O-CB 3.36Å; W216-Y229 AromaticContact CE2-CE2 3.97Å; W216-Y229 HydrophobicContact CZ2-CE2 4.02Å; W216-Y229 AromaticContact NE1-CD2 3.61Å; W216-Y229 AromaticContact NE1-CE2 3.96Å; W216-Y229 PolarHBondContact NE1-O 3.08Å
230D94.1Very high95.8Very high114 Ų11425.5 Ų25.561%0.6113%0.125SC*.THydrogen-bonded Turntrans-89.3-14.7179.962.7-27.2000113.6E228 Q510E228-D230 WeakPolarHBondContact CB-OD1 3.29Å; E228-D230 PolarHBondContact O-N 3.01Å; D230-Q510 PolarHBondContact O-NE2 2.83Å; D230-Q510 PolarHBondContact O-OE1 3.38Å
231N94.2Very high95.7Very high20 Ų2024.9 Ų24.911%0.10712%0.122CC..  trans-130.7103.2-177.4-177.5-13.3000112.1Y227 E228 L233 A234Y227-N231 VanDerWaalsContact CB-O 3.31Å; Y227-N231 WeakPolarHBondContact CB-O 3.34Å; E228-N231 PolarHBondContact O-N 3.09Å; N231-L233 PolarHBondContact OD1-N 3.19Å; N231-A234 PolarHBondContact OD1-N 2.98Å; N231-A234 VanDerWaalsContact OD1-N 3.1Å
232Q95.3Very high95.6Very high50 Ų5029.1 Ų29.123%0.23414%0.144CC..SBendtrans-93.70.2176.7-68.5-179.4-111.600114.2F204 W216 Y227F204-Q232 HydrophobicContact CE1-CB 4.12Å; F204-Q232 HydrophobicContact CE1-CG 4.38Å; F204-Q232 HydrophobicContact CZ-CB 4.14Å; W216-Q232 HydrophobicContact CD2-CG 4.43Å; W216-Q232 HydrophobicContact CG-CG 4.05Å; Y227-Q232 WeakPolarHBondContact CD1-O 3.47Å; Y227-Q232 VanDerWaalsContact CE1-O 3.31Å; Y227-Q232 WeakPolarHBondContact CE1-O 3.43Å
233L95.5Very high95.5Very high5 Ų529.1 Ų29.13%0.02614%0.143CC..SBendtrans-85.6-43.8-178.7-62.1179.2000111.5Y116 E198 M199 N231 I507 Q510 I514Y116-L233 HydrophobicContact CD1-CD1 4.42Å; Y116-L233 HydrophobicContact CD1-CD2 3.81Å; Y116-L233 HydrophobicContact CG-CD2 3.98Å; E198-L233 HydrophobicContact CB-CB 4.3Å; E198-L233 HydrophobicContact CB-CD2 4.05Å; E198-L233 WeakPolarHBondContact CB-O 3.37Å; E198-L233 HydrophobicContact CG-CB 4.26Å; E198-L233 HydrophobicContact CG-CD2 4.45Å; M199-L233 HydrophobicContact CG-CD2 4.18Å; M199-L233 HydrophobicContact SD-CD2 4.18Å; N231-L233 PolarHBondContact OD1-N 3.19Å; L233-I507 HydrophobicContact CD1-CG1 3.77Å; L233-I507 WeakPolarHBondContact CD1-O 3.46Å; L233-I507 HydrophobicContact CD2-CD1 4.04Å; L233-I507 HydrophobicContact CD2-CG1 4.06Å; L233-I507 HydrophobicContact CG-CD1 4.27Å; L233-I507 HydrophobicContact CG-CG1 3.9Å; L233-Q510 HydrophobicContact CD1-CB 4.17Å; L233-I514 HydrophobicContact CB-CD1 3.68Å; L233-I514 HydrophobicContact CD1-CD1 4.22Å
234A93.9Very high95.4Very high14 Ų1429.5 Ų29.512%0.11615%0.145CC..SBendtrans-113.8110.7-17500000111.9N231 I514 T524N231-A234 PolarHBondContact OD1-N 2.98Å; N231-A234 VanDerWaalsContact OD1-N 3.1Å; A234-I514 HydrophobicContact CB-CD1 3.84Å; A234-I514 HydrophobicContact CB-CG1 4.4Å; A234-T524 HydrophobicContact CB-CG2 4.23Å
235P95.9Very high95.2Very high9 Ų934.5 Ų34.56%0.05817%0.168CC..  trans-68.5145.5173.623.5-25.2000111.4N225 I226 Y227 T524 L525 I528N225-P235 HydrophobicContact CB-CB 3.86Å; N225-P235 HydrophobicContact CB-CG 4.43Å; I226-P235 CarbonylContact O-C 3.47Å; I226-P235 WeakPolarHBondContact O-CA 3.33Å; Y227-P235 HydrophobicContact CD1-CB 3.92Å; Y227-P235 HydrophobicContact CD2-CB 4.35Å; Y227-P235 HydrophobicContact CE1-CB 3.63Å; Y227-P235 VanDerWaalsContact CE1-CD 3.42Å; Y227-P235 HydrophobicContact CE1-CG 3.85Å; Y227-P235 VanDerWaalsContact CE1-N 3.35Å; Y227-P235 HydrophobicContact CE2-CB 4.05Å; Y227-P235 HydrophobicContact CG-CB 4.25Å; P235-T524 HydrophobicContact CG-CG2 4.49Å; P235-L525 HydrophobicContact CG-CD2 4.12Å; P235-I528 HydrophobicContact CB-CD1 3.77Å; P235-I528 HydrophobicContact CG-CD1 3.63Å
236K94.6Very high95.1Very high72 Ų7240.5 Ų40.531%0.31319%0.194SC..SBendtrans-95.8-33.2176.8-64.7-59.9-167.8-179.20113I226 E228 Q539 M543I226-K236 PolarHBondContact O-N 3.4Å; E228-K236 HydrophobicContact CG-CG 4.03Å; E228-K236 VanDerWaalsContact OE1-CE 3.27Å; E228-K236 WeakPolarHBondContact OE1-CE 3.35Å; E228-K236 WeakPolarHBondContact OE2-CE 3.35Å; E228-K236 IonicContact OE2-NZ 3.68Å; K236-Q539 PolarHBondContact O-NE2 3.35Å; K236-M543 HydrophobicContact CB-CE 3.79Å; K236-M543 HydrophobicContact CB-SD 4.12Å; K236-M543 HydrophobicContact CG-CE 3.82Å
237V94.3Very high95.1Very high1 Ų141.7 Ų41.71%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-135138.6-177.3-172.50000108.6N225 I226 F239 R536 Q539 F540 M543N225-V237 CarbonylContact C-O 3.49Å; N225-V237 WeakPolarHBondContact CA-O 3.3Å; I226-V237 HydrophobicContact CB-CB 4.12Å; I226-V237 HydrophobicContact CG1-CB 4.23Å; I226-V237 PolarHBondContact N-O 2.93Å; I226-V237 PolarHBondContact O-N 3.3Å; V237-F239 HydrophobicContact CB-CE2 4.48Å; V237-F239 HydrophobicContact CG1-CD2 4.35Å; V237-F239 HydrophobicContact CG1-CE2 3.48Å; V237-F239 VanDerWaalsContact CG1-CE2 3.48Å; V237-F239 HydrophobicContact CG1-CZ 3.66Å; V237-R536 HydrophobicContact CG1-CB 3.77Å; V237-R536 HydrophobicContact CG1-CG 4.26Å; V237-R536 VanDerWaalsContact CG1-O 3.3Å; V237-R536 WeakPolarHBondContact CG1-O 3.43Å; V237-Q539 HydrophobicContact CG2-CB 4.16Å; V237-Q539 HydrophobicContact CG2-CG 3.87Å; V237-F540 HydrophobicContact CG1-CB 4.49Å; V237-F540 HydrophobicContact CG2-CB 4.35Å; V237-M543 HydrophobicContact CG2-SD 3.92Å
238T95.1Very high95.1Very high1 Ų143.6 Ų43.61%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-130.8148176.9-172.70000111.8L224 N225 I528 R529 R536L224-T238 CarbonylContact O-C 3.51Å; L224-T238 WeakPolarHBondContact O-CA 3.28Å; N225-T238 WeakPolarHBondContact OD1-CB 3.43Å; N225-T238 PolarHBondContact OD1-OG1 3.11Å; T238-I528 HydrophobicContact CG2-CB 4.43Å; T238-I528 HydrophobicContact CG2-CD1 3.89Å; T238-I528 HydrophobicContact CG2-CG1 3.68Å; T238-R529 HydrophobicContact CG2-CB 4.47Å; T238-R529 HydrophobicContact CG2-CG 3.61Å; T238-R536 VanDerWaalsContact O-CD 3.3Å; T238-R536 WeakPolarHBondContact O-CD 3.31Å; T238-R536 PolarHBondContact O-NH1 2.93Å
239F95.2Very high95.2Very high5 Ų543.8 Ų43.82%0.02221%0.213CC..EExtended strand (participates in β ladder)trans-128.392.5174-59.5-87.3000108G223 L224 I226 V237 I244 L266 T533 R536 V537G223-F239 VanDerWaalsContact CA-O 3.32Å; G223-F239 WeakPolarHBondContact CA-O 3.21Å; L224-F239 HydrophobicContact CB-CB 4.27Å; L224-F239 PolarHBondContact N-O 2.82Å; L224-F239 PolarHBondContact O-N 3.01Å; I226-F239 HydrophobicContact CG1-CE2 4.27Å; V237-F239 HydrophobicContact CB-CE2 4.48Å; V237-F239 HydrophobicContact CG1-CD2 4.35Å; V237-F239 HydrophobicContact CG1-CE2 3.48Å; V237-F239 VanDerWaalsContact CG1-CE2 3.48Å; V237-F239 HydrophobicContact CG1-CZ 3.66Å; F239-I244 HydrophobicContact CB-CD1 4.03Å; F239-I244 HydrophobicContact CB-CG1 4.37Å; F239-I244 WeakPolarHBondContact O-CD1 3.45Å; F239-L266 HydrophobicContact CD1-CD2 4.47Å; F239-L266 HydrophobicContact CD2-CD2 3.72Å; F239-L266 HydrophobicContact CE1-CB 4.49Å; F239-L266 HydrophobicContact CE1-CD2 4.21Å; F239-L266 HydrophobicContact CE2-CD1 4.25Å; F239-L266 HydrophobicContact CE2-CD2 3.41Å; F239-L266 VanDerWaalsContact CE2-CD2 3.41Å; F239-L266 HydrophobicContact CE2-CG 4.37Å; F239-L266 HydrophobicContact CG-CD2 4.25Å; F239-L266 HydrophobicContact CZ-CB 4.4Å; F239-L266 HydrophobicContact CZ-CD1 4.03Å; F239-L266 HydrophobicContact CZ-CD2 3.68Å; F239-L266 HydrophobicContact CZ-CG 4.25Å; F239-T533 HydrophobicContact CD1-CG2 4.08Å; F239-T533 HydrophobicContact CE1-CG2 4.14Å; F239-R536 HydrophobicContact CE1-CB 4.26Å; F239-R536 HydrophobicContact CZ-CB 4.34Å; F239-V537 HydrophobicContact CE1-CG2 3.74Å; F239-V537 HydrophobicContact CZ-CG2 4.08Å
240P94.7Very high95.3Very high10 Ų1042.1 Ų42.17%0.06522%0.216CC..EExtended strand (participates in β ladder)trans-56.9147.4176.5-27.437.1000112.5L222 N242 E243 R529L222-P240 WeakPolarHBondContact O-CA 3.48Å; P240-N242 VanDerWaalsContact C-N 3.25Å; P240-N242 WeakPolarHBondContact CB-OD1 3.36Å; P240-N242 PolarHBondContact O-N 2.78Å; P240-E243 HydrophobicContact CB-CG 4.42Å; P240-E243 PolarHBondContact O-N 3.35Å; P240-R529 HydrophobicContact CG-CG 4.32Å
241W96.1Very high95.4Very high0 Ų045.6 Ų45.60%022%0.221CC..G310 helixtrans-58.8-34-177.6-69.2128.4000113.7I219 D220 A221 L222 G223 L224 E243 I244 L247 N286 H287 Y290I219-W241 HydrophobicContact CG2-CH2 4.09Å; I219-W241 HydrophobicContact CG2-CZ2 3.92Å; D220-W241 PolarHBondContact O-NE1 3.31Å; A221-W241 VanDerWaalsContact O-CD1 3.23Å; A221-W241 PolarHBondContact O-NE1 3.19Å; L222-W241 PolarHBondContact O-N 3.07Å; G223-W241 VanDerWaalsContact CA-CE2 3.45Å; G223-W241 VanDerWaalsContact N-NE1 3.15Å; G223-W241 WeakPolarHBondContact O-CZ2 3.3Å; L224-W241 HydrophobicContact CD1-CZ3 4.44Å; L224-W241 HydrophobicContact CD2-CH2 3.44Å; L224-W241 VanDerWaalsContact CD2-CH2 3.44Å; L224-W241 HydrophobicContact CD2-CZ2 4.32Å; L224-W241 HydrophobicContact CD2-CZ3 3.99Å; L224-W241 HydrophobicContact CG-CH2 3.79Å; L224-W241 HydrophobicContact CG-CZ3 3.87Å; W241-E243 PolarHBondContact O-N 2.81Å; W241-I244 HydrophobicContact CE3-CD1 3.7Å; W241-I244 HydrophobicContact CZ3-CD1 3.8Å; W241-I244 PolarHBondContact O-N 3.42Å; W241-L247 HydrophobicContact CZ3-CD1 4.17Å; W241-N286 HydrophobicContact CZ2-CB 3.77Å; W241-H287 HydrophobicContact CD2-CB 4.08Å; W241-H287 HydrophobicContact CE3-CB 3.95Å; W241-H287 HydrophobicContact CG-CB 4.46Å; W241-H287 HydrophobicContact CZ3-CB 4.49Å; W241-Y290 HydrophobicContact CB-CD1 3.5Å; W241-Y290 VanDerWaalsContact CB-CD1 3.5Å; W241-Y290 HydrophobicContact CB-CD2 3.77Å; W241-Y290 HydrophobicContact CB-CE1 3.71Å; W241-Y290 HydrophobicContact CB-CE2 3.9Å; W241-Y290 HydrophobicContact CB-CG 3.54Å; W241-Y290 AromaticContact CD1-CD2 3.47Å; W241-Y290 VanDerWaalsContact CD1-CD2 3.47Å; W241-Y290 AromaticContact CD1-CG 3.65Å; W241-Y290 HydrophobicContact CG-CD1 4.35Å; W241-Y290 HydrophobicContact CG-CD2 4.02Å; W241-Y290 HydrophobicContact CG-CE2 4.47Å; W241-Y290 AromaticContact CG-CG 3.93Å; W241-Y290 HydrophobicContact CG-CG 3.93Å
242N93.4Very high95.6Very high96 Ų9647.6 Ų47.651%0.51323%0.231SC..G310 helixtrans-67.7-13.7176.461.1-53.3000114.4P240 Y290P240-N242 VanDerWaalsContact C-N 3.25Å; P240-N242 WeakPolarHBondContact CB-OD1 3.36Å; P240-N242 PolarHBondContact O-N 2.78Å; N242-Y290 HydrophobicContact CB-CE1 4.01Å; N242-Y290 WeakPolarHBondContact CB-OH 3.46Å; N242-Y290 PolarHBondContact OD1-OH 3.24Å; N242-Y290 VanDerWaalsContact OD1-OH 3.07Å
243E93.1Very high95.7Very high37 Ų3748.2 Ų48.217%0.17323%0.233CC..G310 helixtrans-97.7-6177.1-63.6179.9-164.800112.8P240 W241 P258 V259 T533 R536P240-E243 HydrophobicContact CB-CG 4.42Å; P240-E243 PolarHBondContact O-N 3.35Å; W241-E243 PolarHBondContact O-N 2.81Å; E243-P258 CarbonylContact O-C 3.55Å; E243-P258 VanDerWaalsContact O-CA 3.23Å; E243-P258 WeakPolarHBondContact O-CA 3.28Å; E243-V259 PolarHBondContact O-N 3.48Å; E243-T533 PolarHBondContact OE2-OG1 3.39Å; E243-R536 IonicContact OE1-CZ 3.11Å; E243-R536 IonicContact OE1-NH1 2.78Å; E243-R536 PolarHBondContact OE1-NH1 3.35Å; E243-R536 IonicContact OE1-NH2 3.57Å; E243-R536 PolarHBondContact OE1-NH2 2.88Å; E243-R536 IonicContact OE2-CZ 2.65Å; E243-R536 IonicContact OE2-NH1 2.8Å; E243-R536 PolarHBondContact OE2-NH1 3.34Å; E243-R536 IonicContact OE2-NH2 3.17Å; E243-R536 PolarHBondContact OE2-NH2 3.31Å
244I95Very high95.9Very high9 Ų948 Ų485%0.04623%0.232CC..EExtended strand (participates in β ladder)trans-101.2114.4-175.3-64.4171.8000109.7L224 F239 W241 L247 V256L224-I244 HydrophobicContact CD1-CD1 3.85Å; L224-I244 HydrophobicContact CG-CD1 4.03Å; F239-I244 HydrophobicContact CB-CD1 4.03Å; F239-I244 HydrophobicContact CB-CG1 4.37Å; F239-I244 WeakPolarHBondContact O-CD1 3.45Å; W241-I244 HydrophobicContact CE3-CD1 3.7Å; W241-I244 HydrophobicContact CZ3-CD1 3.8Å; W241-I244 PolarHBondContact O-N 3.42Å; I244-L247 HydrophobicContact CG2-CD2 3.59Å; I244-L247 HydrophobicContact CG2-CG 3.9Å; I244-V256 HydrophobicContact CD1-CG1 3.96Å; I244-V256 HydrophobicContact CG1-CG1 3.81Å; I244-V256 HydrophobicContact CG2-CG1 4.06Å
245Q94.8Very high96.1Very high105 Ų10550 Ų5049%0.49124%0.238SC..EExtended strand (participates in β ladder)trans-78.4-45.4175.2-173.7176.165.600112.1K257 P258 V259Q245-K257 PolarHBondContact N-O 2.93Å; Q245-K257 VanDerWaalsContact OE1-CD 3.28Å; Q245-P258 VanDerWaalsContact CB-O 3.27Å; Q245-P258 WeakPolarHBondContact CB-O 3.5Å; Q245-V259 HydrophobicContact CB-CG2 4.2Å
246K95.5Very high96.1Very high125 Ų12549.8 Ų49.854%0.54324%0.237SC..EExtended strand (participates in β ladder)trans-154.6135.5-170.1-173.2175.3-179.3178.10111.5K257K246-K257 HydrophobicContact CB-CB 4.19Å; K246-K257 PolarHBondContact N-O 3.48Å; K246-K257 WeakPolarHBondContact O-CB 3.42Å; K246-K257 PolarHBondContact O-N 3.3Å
247L97.8Very high96.1Very high25 Ų2550.7 Ų50.713%0.13124%0.241CC..EExtended strand (participates in β ladder)trans-106.2134.7169.7-57.4175.1000109.1L224 W241 I244 F254 V256 L280L224-L247 HydrophobicContact CD1-CD2 4.21Å; W241-L247 HydrophobicContact CZ3-CD1 4.17Å; I244-L247 HydrophobicContact CG2-CD2 3.59Å; I244-L247 HydrophobicContact CG2-CG 3.9Å; L247-F254 HydrophobicContact CB-CE1 4.22Å; L247-F254 HydrophobicContact CB-CZ 4.19Å; L247-F254 HydrophobicContact CD2-CE1 4.09Å; L247-V256 HydrophobicContact CD2-CB 4.09Å; L247-V256 HydrophobicContact CD2-CG1 3.83Å; L247-V256 HydrophobicContact CD2-CG2 3.74Å; L247-L280 HydrophobicContact CB-CD1 3.56Å
248S97.8Very high96.1Very high45 Ų4550.9 Ų50.932%0.31524%0.242SC..EExtended strand (participates in β ladder)trans-153.5163.8175.861.10000111F255S248-F255 PolarHBondContact N-O 2.96Å; S248-F255 PolarHBondContact O-N 3.31Å
249Y98.1Very high96Very high73 Ų7354.6 Ų54.629%0.28627%0.265SS..EExtended strand (participates in β ladder)trans-145.2153.8176.673.1-93.4000111R251 K253 T273 K277 L280Y249-R251 WeakPolarHBondContact CD2-O 3.38Å; Y249-K253 CarbonylContact C-O 3.48Å; Y249-K253 VanDerWaalsContact CA-O 3.22Å; Y249-K253 WeakPolarHBondContact CA-O 3.43Å; Y249-K253 WeakPolarHBondContact CB-O 3.46Å; Y249-T273 HydrophobicContact CE2-CG2 3.98Å; Y249-K277 HydrophobicContact CE1-CG 3.93Å; Y249-K277 HydrophobicContact CE2-CG 4.22Å; Y249-K277 WeakPolarHBondContact OH-CE 3.42Å; Y249-K277 WeakPolarHBondContact OH-CG 3.17Å; Y249-L280 HydrophobicContact CD1-CB 4.19Å; Y249-L280 HydrophobicContact CD1-CD2 3.8Å; Y249-L280 HydrophobicContact CE1-CB 4.38Å; Y249-L280 HydrophobicContact CE1-CD2 3.63Å
250S97.7Very high95.6Very high69 Ų6959.1 Ų59.148%0.48329%0.286SS..EExtended strand (participates in β ladder)trans-128.3111.6168.2-177.40000109N252 K253S250-N252 PolarHBondContact O-N 2.79Å; S250-K253 PolarHBondContact N-O 3.46Å; S250-K253 PolarHBondContact O-N 3.38Å
251R96.3Very high95Very high187 Ų18763.8 Ų63.871%0.70633%0.325SS*.THydrogen-bonded Turntrans52.8-109.9-169.2-62.1-175.9-73.8179-4.4111Y249 T273 S276Y249-R251 WeakPolarHBondContact CD2-O 3.38Å; R251-T273 WeakPolarHBondContact CA-OG1 3.44Å; R251-T273 WeakPolarHBondContact O-CA 3.17Å; R251-S276 PolarHBondContact O-OG 3.44Å
252N97Very high94.3Very high61 Ų6169.1 Ų69.133%0.32636%0.362SS..THydrogen-bonded Turntrans-102.8-1.5-179.774.8-42.9000113.7S250 Y269 T270S250-N252 PolarHBondContact O-N 2.79Å; N252-Y269 CarbonylContact O-C 3.5Å; N252-Y269 WeakPolarHBondContact O-CA 3.33Å; N252-T270 WeakPolarHBondContact CB-O 3.46Å; N252-T270 PolarHBondContact ND2-O 2.98Å; N252-T270 VanDerWaalsContact ND2-O 3.12Å; N252-T270 PolarHBondContact O-N 2.92Å; N252-T270 PolarHBondContact O-OG1 3.26Å; N252-T270 VanDerWaalsContact O-OG1 3.12Å
253K98.2Very high93.7Very high64 Ų6465.2 Ų65.228%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-89.8122.8175.6-172.8172.2-173.7164.40109.4Y249 S250 F255 V267 Y269Y249-K253 CarbonylContact C-O 3.48Å; Y249-K253 VanDerWaalsContact CA-O 3.22Å; Y249-K253 WeakPolarHBondContact CA-O 3.43Å; Y249-K253 WeakPolarHBondContact CB-O 3.46Å; S250-K253 PolarHBondContact N-O 3.46Å; S250-K253 PolarHBondContact O-N 3.38Å; K253-F255 HydrophobicContact CB-CE2 4.4Å; K253-F255 HydrophobicContact CB-CZ 4.41Å; K253-F255 HydrophobicContact CD-CE1 4.03Å; K253-F255 HydrophobicContact CD-CE2 4.39Å; K253-F255 HydrophobicContact CD-CZ 3.59Å; K253-F255 HydrophobicContact CG-CE1 4.17Å; K253-F255 HydrophobicContact CG-CE2 4.01Å; K253-F255 HydrophobicContact CG-CZ 3.66Å; K253-V267 HydrophobicContact CD-CG1 4.23Å; K253-V267 HydrophobicContact CG-CG1 3.98Å; K253-Y269 HydrophobicContact CB-CD1 3.99Å; K253-Y269 HydrophobicContact CB-CE1 3.86Å; K253-Y269 HydrophobicContact CD-CE1 3.72Å; K253-Y269 VanDerWaalsContact CE-OH 3.31Å; K253-Y269 WeakPolarHBondContact CE-OH 3.46Å; K253-Y269 HydrophobicContact CG-CD1 4.11Å; K253-Y269 HydrophobicContact CG-CE1 3.6Å; K253-Y269 PolarHBondContact NZ-OH 3.14Å
254F98.6Very high93.6Very high0 Ų066.7 Ų66.70%035%0.351CS..EExtended strand (participates in β ladder)trans-110144.8-177.2-155.9-82000110.5L247 V256 V267 F268 S276 I279 L280L247-F254 HydrophobicContact CB-CE1 4.22Å; L247-F254 HydrophobicContact CB-CZ 4.19Å; L247-F254 HydrophobicContact CD2-CE1 4.09Å; F254-V256 HydrophobicContact CD1-CG2 4.01Å; F254-V256 HydrophobicContact CE1-CG2 3.99Å; F254-V267 WeakPolarHBondContact O-CA 3.26Å; F254-F268 HydrophobicContact CB-CD1 4.4Å; F254-F268 HydrophobicContact CB-CD2 3.75Å; F254-F268 HydrophobicContact CB-CE1 4.1Å; F254-F268 HydrophobicContact CB-CE2 3.39Å; F254-F268 HydrophobicContact CB-CG 4.25Å; F254-F268 HydrophobicContact CB-CZ 3.58Å; F254-F268 AromaticContact CD1-CE1 3.58Å; F254-F268 HydrophobicContact CD1-CE1 3.58Å; F254-F268 AromaticContact CD1-CE2 3.97Å; F254-F268 HydrophobicContact CD1-CE2 3.97Å; F254-F268 AromaticContact CD1-CZ 3.23Å; F254-F268 HydrophobicContact CD1-CZ 3.23Å; F254-F268 HydrophobicContact CD2-CE2 4.32Å; F254-F268 HydrophobicContact CD2-CZ 4.25Å; F254-F268 HydrophobicContact CE1-CE1 4.37Å; F254-F268 AromaticContact CE1-CZ 3.95Å; F254-F268 HydrophobicContact CE1-CZ 3.95Å; F254-F268 HydrophobicContact CG-CD2 4.47Å; F254-F268 HydrophobicContact CG-CE1 4.1Å; F254-F268 AromaticContact CG-CE2 3.64Å; F254-F268 HydrophobicContact CG-CE2 3.64Å; F254-F268 AromaticContact CG-CZ 3.42Å; F254-F268 HydrophobicContact CG-CZ 3.42Å; F254-F268 VanDerWaalsContact CG-CZ 3.42Å; F254-F268 PolarHBondContact N-O 3.49Å; F254-F268 PolarHBondContact O-N 2.92Å; F254-S276 WeakPolarHBondContact CE2-O 3.19Å; F254-I279 HydrophobicContact CD2-CG2 4.16Å; F254-I279 HydrophobicContact CE1-CG2 4.2Å; F254-I279 HydrophobicContact CE2-CB 4.01Å; F254-I279 HydrophobicContact CE2-CG2 3.58Å; F254-I279 HydrophobicContact CZ-CB 4.47Å; F254-I279 HydrophobicContact CZ-CG2 3.61Å; F254-L280 HydrophobicContact CE2-CB 4.03Å; F254-L280 HydrophobicContact CZ-CB 4.26Å; F254-L280 HydrophobicContact CZ-CD1 4.26Å
255F97.9Very high93.5Very high56 Ų5669 Ų6925%0.24637%0.365CS..EExtended strand (participates in β ladder)trans-129.5124.4-176-53.4-92.2000109.8S248 K253 V265 L266 V267S248-F255 PolarHBondContact N-O 2.96Å; S248-F255 PolarHBondContact O-N 3.31Å; K253-F255 HydrophobicContact CB-CE2 4.4Å; K253-F255 HydrophobicContact CB-CZ 4.41Å; K253-F255 HydrophobicContact CD-CE1 4.03Å; K253-F255 HydrophobicContact CD-CE2 4.39Å; K253-F255 HydrophobicContact CD-CZ 3.59Å; K253-F255 HydrophobicContact CG-CE1 4.17Å; K253-F255 HydrophobicContact CG-CE2 4.01Å; K253-F255 HydrophobicContact CG-CZ 3.66Å; F255-V265 HydrophobicContact CB-CG1 4.18Å; F255-V265 HydrophobicContact CD1-CG1 4.34Å; F255-L266 WeakPolarHBondContact CA-O 3.32Å; F255-V267 HydrophobicContact CD1-CG2 3.81Å; F255-V267 HydrophobicContact CE1-CG2 4.19Å
256V97.1Very high93.5Very high5 Ų564.1 Ų64.13%0.0334%0.342CS..EExtended strand (participates in β ladder)trans-112.2102173-178.90000107.3L224 I244 L247 F254 L266 F268L224-V256 HydrophobicContact CD1-CG1 4.12Å; L224-V256 HydrophobicContact CD1-CG2 3.75Å; I244-V256 HydrophobicContact CD1-CG1 3.96Å; I244-V256 HydrophobicContact CG1-CG1 3.81Å; I244-V256 HydrophobicContact CG2-CG1 4.06Å; L247-V256 HydrophobicContact CD2-CB 4.09Å; L247-V256 HydrophobicContact CD2-CG1 3.83Å; L247-V256 HydrophobicContact CD2-CG2 3.74Å; F254-V256 HydrophobicContact CD1-CG2 4.01Å; F254-V256 HydrophobicContact CE1-CG2 3.99Å; V256-L266 HydrophobicContact CB-CB 4.05Å; V256-L266 HydrophobicContact CB-CD2 4.03Å; V256-L266 HydrophobicContact CB-CG 4.39Å; V256-L266 HydrophobicContact CG1-CD2 4.5Å; V256-L266 HydrophobicContact CG2-CD2 4.01Å; V256-L266 PolarHBondContact N-O 3.39Å; V256-L266 PolarHBondContact O-N 3.48Å; V256-F268 HydrophobicContact CG2-CE1 3.83Å
257K94.9Very high93.6Very high90 Ų9059 Ų5939%0.39132%0.322SS..EExtended strand (participates in β ladder)trans-86.2125.1-179.3-170.9-178.3-179.9-156.40109.4Q245 K246 V265Q245-K257 PolarHBondContact N-O 2.93Å; Q245-K257 VanDerWaalsContact OE1-CD 3.28Å; K246-K257 HydrophobicContact CB-CB 4.19Å; K246-K257 PolarHBondContact N-O 3.48Å; K246-K257 WeakPolarHBondContact O-CB 3.42Å; K246-K257 PolarHBondContact O-N 3.3Å; K257-V265 HydrophobicContact CG-CG2 4.33Å
258P94.1Very high93.6Very high5 Ų557.8 Ų57.83%0.03232%0.315CS..EExtended strand (participates in β ladder)trans-72162.5177.230.3-34.9000112.2E243 Q245 T533E243-P258 CarbonylContact O-C 3.55Å; E243-P258 VanDerWaalsContact O-CA 3.23Å; E243-P258 WeakPolarHBondContact O-CA 3.28Å; Q245-P258 VanDerWaalsContact CB-O 3.27Å; Q245-P258 WeakPolarHBondContact CB-O 3.5Å; P258-T533 HydrophobicContact CB-CG2 4.19Å
259V91.8Very high93.7Very high80 Ų8058.6 Ų58.649%0.48531%0.312SS..SBendtrans-64.9-40.1172.21730000111.7E243 Q245 A261E243-V259 PolarHBondContact O-N 3.48Å; Q245-V259 HydrophobicContact CB-CG2 4.2Å; V259-A261 PolarHBondContact O-N 3.44Å
260E88.3Confident93.6Very high100 Ų10055.3 Ų55.347%0.46730%0.3SS..SBendtrans-63.7124176.1-65.3-179-179.400111S262 G263E260-S262 VanDerWaalsContact C-N 3.26Å; E260-S262 PolarHBondContact O-N 3.06Å; E260-G263 WeakPolarHBondContact O-CA 3.28Å; E260-G263 PolarHBondContact O-N 3.4Å
261A80.8Confident93.5Very high108 Ų10857.3 Ų57.389%0.89331%0.305SS*.THydrogen-bonded Turntrans-63.3-31.8-179.500000113.1V259 G263V259-A261 PolarHBondContact O-N 3.44Å; A261-G263 VanDerWaalsContact C-N 3.28Å
262S81.5Confident93.4Very high111 Ų11150.4 Ų50.478%0.77629%0.285SS*.THydrogen-bonded Turntrans-83.5-1.5172.653.30000113.6E260E260-S262 VanDerWaalsContact C-N 3.26Å; E260-S262 PolarHBondContact O-N 3.06Å
263G81.7Confident93.3Very high14 Ų1450 Ų5014%0.14429%0.285CS..SBendtrans-70.5141.3-176.700000112E260 A261E260-G263 WeakPolarHBondContact O-CA 3.28Å; E260-G263 PolarHBondContact O-N 3.4Å; A261-G263 VanDerWaalsContact C-N 3.28Å
264K90.4Very high93Very high69 Ų6949 Ų4930%0.328%0.281SS..PPolyproline II helixtrans-71.4130176.4-167.8172.8170.8-1780109.8L266 V537 D538 E541K264-L266 PolarHBondContact O-N 3.27Å; K264-V537 HydrophobicContact CB-CB 4.34Å; K264-V537 HydrophobicContact CB-CG1 4.2Å; K264-V537 HydrophobicContact CB-CG2 4.45Å; K264-V537 HydrophobicContact CD-CB 4.23Å; K264-V537 HydrophobicContact CD-CG1 3.66Å; K264-V537 HydrophobicContact CG-CB 4.44Å; K264-V537 HydrophobicContact CG-CG1 3.81Å; K264-D538 IonicContact NZ-OD1 2.76Å; K264-D538 PolarHBondContact NZ-OD1 2.93Å; K264-E541 WeakPolarHBondContact CE-OE1 3.21Å; K264-E541 WeakPolarHBondContact CE-OE2 3.42Å; K264-E541 IonicContact NZ-OE1 2.73Å; K264-E541 PolarHBondContact NZ-OE1 2.73Å; K264-E541 VanDerWaalsContact NZ-OE1 3.11Å; K264-E541 IonicContact NZ-OE2 3.91Å; K264-E541 PolarHBondContact NZ-OE2 3.02Å
265V93.6Very high92.8Very high58 Ų5850.1 Ų50.135%0.35229%0.288SS..PPolyproline II helixtrans-73.7121.3177.7179.60000108.8F255 K257 V267F255-V265 HydrophobicContact CB-CG1 4.18Å; F255-V265 HydrophobicContact CD1-CG1 4.34Å; K257-V265 HydrophobicContact CG-CG2 4.33Å; V265-V267 HydrophobicContact CG1-CG2 4.23Å
266L95Very high92.7Very high1 Ų147.5 Ų47.51%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-72.8130.6172.5167.976.1000109.4F239 F255 V256 K264 F268 V537 F540F239-L266 HydrophobicContact CD1-CD2 4.47Å; F239-L266 HydrophobicContact CD2-CD2 3.72Å; F239-L266 HydrophobicContact CE1-CB 4.49Å; F239-L266 HydrophobicContact CE1-CD2 4.21Å; F239-L266 HydrophobicContact CE2-CD1 4.25Å; F239-L266 HydrophobicContact CE2-CD2 3.41Å; F239-L266 VanDerWaalsContact CE2-CD2 3.41Å; F239-L266 HydrophobicContact CE2-CG 4.37Å; F239-L266 HydrophobicContact CG-CD2 4.25Å; F239-L266 HydrophobicContact CZ-CB 4.4Å; F239-L266 HydrophobicContact CZ-CD1 4.03Å; F239-L266 HydrophobicContact CZ-CD2 3.68Å; F239-L266 HydrophobicContact CZ-CG 4.25Å; F255-L266 WeakPolarHBondContact CA-O 3.32Å; V256-L266 HydrophobicContact CB-CB 4.05Å; V256-L266 HydrophobicContact CB-CD2 4.03Å; V256-L266 HydrophobicContact CB-CG 4.39Å; V256-L266 HydrophobicContact CG1-CD2 4.5Å; V256-L266 HydrophobicContact CG2-CD2 4.01Å; V256-L266 PolarHBondContact N-O 3.39Å; V256-L266 PolarHBondContact O-N 3.48Å; K264-L266 PolarHBondContact O-N 3.27Å; L266-F268 HydrophobicContact CD2-CD1 4.36Å; L266-F268 HydrophobicContact CG-CD1 4.38Å; L266-V537 HydrophobicContact CB-CG2 4.16Å; L266-F540 HydrophobicContact CD1-CB 4.22Å; L266-F540 HydrophobicContact CD1-CD1 3.16Å; L266-F540 HydrophobicContact CD1-CD2 4.34Å; L266-F540 HydrophobicContact CD1-CE1 3.49Å; L266-F540 VanDerWaalsContact CD1-CE1 3.49Å; L266-F540 HydrophobicContact CD1-CG 3.63Å; L266-F540 HydrophobicContact CD1-CZ 4.2Å
267V97.3Very high92.5Very high18 Ų1852 Ų5211%0.10930%0.295CS..EExtended strand (participates in β ladder)trans-127.8126.1-177.7176.40000109.8K253 F254 F255 V265 Y269 F540K253-V267 HydrophobicContact CD-CG1 4.23Å; K253-V267 HydrophobicContact CG-CG1 3.98Å; F254-V267 WeakPolarHBondContact O-CA 3.26Å; F255-V267 HydrophobicContact CD1-CG2 3.81Å; F255-V267 HydrophobicContact CE1-CG2 4.19Å; V265-V267 HydrophobicContact CG1-CG2 4.23Å; V267-Y269 HydrophobicContact CG1-CE2 4.34Å; V267-F540 WeakPolarHBondContact O-CE1 3.45Å
268F98.2Very high92.5Very high0 Ų049 Ų490%028%0.283CS..EExtended strand (participates in β ladder)trans-139.3165.9172.862.3-97.9000111I207 K208 L217 F254 V256 L266 T270 I279 F540I207-F268 HydrophobicContact CB-CD2 3.96Å; I207-F268 HydrophobicContact CD1-CB 4.1Å; I207-F268 HydrophobicContact CD1-CD2 4.26Å; I207-F268 HydrophobicContact CD1-CG 4.11Å; I207-F268 HydrophobicContact CG2-CD2 3.6Å; I207-F268 HydrophobicContact CG2-CE2 3.8Å; K208-F268 CarbonylContact O-C 3.58Å; K208-F268 WeakPolarHBondContact O-CA 3.46Å; K208-F268 WeakPolarHBondContact O-CB 3.49Å; L217-F268 HydrophobicContact CD2-CE2 4.05Å; L217-F268 HydrophobicContact CD2-CZ 3.76Å; F254-F268 HydrophobicContact CB-CD1 4.4Å; F254-F268 HydrophobicContact CB-CD2 3.75Å; F254-F268 HydrophobicContact CB-CE1 4.1Å; F254-F268 HydrophobicContact CB-CE2 3.39Å; F254-F268 HydrophobicContact CB-CG 4.25Å; F254-F268 HydrophobicContact CB-CZ 3.58Å; F254-F268 AromaticContact CD1-CE1 3.58Å; F254-F268 HydrophobicContact CD1-CE1 3.58Å; F254-F268 AromaticContact CD1-CE2 3.97Å; F254-F268 HydrophobicContact CD1-CE2 3.97Å; F254-F268 AromaticContact CD1-CZ 3.23Å; F254-F268 HydrophobicContact CD1-CZ 3.23Å; F254-F268 HydrophobicContact CD2-CE2 4.32Å; F254-F268 HydrophobicContact CD2-CZ 4.25Å; F254-F268 HydrophobicContact CE1-CE1 4.37Å; F254-F268 AromaticContact CE1-CZ 3.95Å; F254-F268 HydrophobicContact CE1-CZ 3.95Å; F254-F268 HydrophobicContact CG-CD2 4.47Å; F254-F268 HydrophobicContact CG-CE1 4.1Å; F254-F268 AromaticContact CG-CE2 3.64Å; F254-F268 HydrophobicContact CG-CE2 3.64Å; F254-F268 AromaticContact CG-CZ 3.42Å; F254-F268 HydrophobicContact CG-CZ 3.42Å; F254-F268 VanDerWaalsContact CG-CZ 3.42Å; F254-F268 PolarHBondContact N-O 3.49Å; F254-F268 PolarHBondContact O-N 2.92Å; V256-F268 HydrophobicContact CG2-CE1 3.83Å; L266-F268 HydrophobicContact CD2-CD1 4.36Å; L266-F268 HydrophobicContact CG-CD1 4.38Å; F268-T270 HydrophobicContact CD2-CG2 4.45Å; F268-T270 HydrophobicContact CE2-CG2 4.22Å; F268-I279 HydrophobicContact CE2-CD1 4.1Å; F268-I279 HydrophobicContact CZ-CG2 4.35Å; F268-F540 HydrophobicContact CB-CE1 4.49Å; F268-F540 HydrophobicContact CB-CZ 3.88Å
269Y98.5Very high92.6Very high61 Ų6148.7 Ų48.724%0.23928%0.282CS..EExtended strand (participates in β ladder)trans-117.7142.2-176.3-57.5-92000110.1I207 K208 E210 N252 K253 V267I207-Y269 CarbonylContact C-O 3.55Å; I207-Y269 WeakPolarHBondContact CA-O 3.31Å; K208-Y269 PolarHBondContact N-O 3.46Å; K208-Y269 PolarHBondContact O-N 3.32Å; E210-Y269 HydrophobicContact CG-CE2 4.2Å; N252-Y269 CarbonylContact O-C 3.5Å; N252-Y269 WeakPolarHBondContact O-CA 3.33Å; K253-Y269 HydrophobicContact CB-CD1 3.99Å; K253-Y269 HydrophobicContact CB-CE1 3.86Å; K253-Y269 HydrophobicContact CD-CE1 3.72Å; K253-Y269 VanDerWaalsContact CE-OH 3.31Å; K253-Y269 WeakPolarHBondContact CE-OH 3.46Å; K253-Y269 HydrophobicContact CG-CD1 4.11Å; K253-Y269 HydrophobicContact CG-CE1 3.6Å; K253-Y269 PolarHBondContact NZ-OH 3.14Å; V267-Y269 HydrophobicContact CG1-CE2 4.34Å
270T97.9Very high92.8Very high5 Ų546.7 Ų46.73%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-109.1166.9173.956.60000109.6I207 N252 F268 C272 T275 S276 I279I207-T270 HydrophobicContact CG2-CG2 4.3Å; N252-T270 WeakPolarHBondContact CB-O 3.46Å; N252-T270 PolarHBondContact ND2-O 2.98Å; N252-T270 VanDerWaalsContact ND2-O 3.12Å; N252-T270 PolarHBondContact O-N 2.92Å; N252-T270 PolarHBondContact O-OG1 3.26Å; N252-T270 VanDerWaalsContact O-OG1 3.12Å; F268-T270 HydrophobicContact CD2-CG2 4.45Å; F268-T270 HydrophobicContact CE2-CG2 4.22Å; T270-C272 VanDerWaalsContact C-N 3.26Å; T270-C272 PolarHBondContact O-N 2.81Å; T270-C272 PolarHBondContact OG1-O 2.78Å; T270-T275 HydrophobicContact CG2-CG2 4.07Å; T270-S276 PolarHBondContact OG1-OG 2.94Å; T270-I279 HydrophobicContact CG2-CD1 3.58Å
271D95.4Very high93.1Very high110 Ų11044.2 Ų44.259%0.58826%0.258SS*.SBendtrans-65.5-30.9176.7-63.3-28.9000112.6
272C94.3Very high93.8Very high43 Ų4339.3 Ų39.329%0.29122%0.217SC..SBendtrans-157.6162.6-18072.10000113.8T270 H274 T275 S276T270-C272 VanDerWaalsContact C-N 3.26Å; T270-C272 PolarHBondContact O-N 2.81Å; T270-C272 PolarHBondContact OG1-O 2.78Å; C272-H274 PolarHBondContact O-N 2.96Å; C272-H274 VanDerWaalsContact O-N 3.1Å; C272-T275 WeakPolarHBondContact O-CB 3.37Å; C272-T275 PolarHBondContact O-N 3.43Å; C272-T275 PolarHBondContact SG-OG1 3.25Å; C272-T275 VanDerWaalsContact SG-OG1 3.34Å; C272-S276 PolarHBondContact O-N 3.25Å
273T94.5Very high94.5Very high53 Ų5334 Ų3433%0.32518%0.18SC..Hα-helixtrans-56.9-26.8175.8-49.40000113.7Y249 R251 K277Y249-T273 HydrophobicContact CE2-CG2 3.98Å; R251-T273 WeakPolarHBondContact CA-OG1 3.44Å; R251-T273 WeakPolarHBondContact O-CA 3.17Å; T273-K277 WeakPolarHBondContact O-CG 3.45Å; T273-K277 PolarHBondContact O-N 2.94Å; T273-K277 VanDerWaalsContact O-N 3.12Å
274H91.3Very high95.2Very high42 Ų4237 Ų3719%0.19420%0.195CC..Hα-helixtrans-68.7-44.6176.4174.578.6000111.4D51 R55 C272 S276 K277 L278D51-H274 IonicContact OD2-CE1 3.58Å; R55-H274 VanDerWaalsContact CZ-CD2 3.44Å; R55-H274 PolarHBondContact NH1-CD2 3.45Å; R55-H274 VanDerWaalsContact NH1-CD2 3.35Å; R55-H274 VanDerWaalsContact NH2-CG 3.35Å; R55-H274 PolarHBondContact NH2-ND1 3.42Å; C272-H274 PolarHBondContact O-N 2.96Å; C272-H274 VanDerWaalsContact O-N 3.1Å; H274-S276 PolarHBondContact O-N 3.01Å; H274-K277 WeakPolarHBondContact O-CB 3.17Å; H274-K277 PolarHBondContact O-N 3.29Å; H274-K277 VanDerWaalsContact O-N 3.13Å; H274-L278 PolarHBondContact O-N 2.93Å
275T94Very high95.4Very high24 Ų2434.3 Ų34.315%0.14719%0.187CC..Hα-helixtrans-60.3-45.1175.1-50.60000111.1F205 T270 C272 K277 L278 I279F205-T275 HydrophobicContact CD1-CG2 3.78Å; T270-T275 HydrophobicContact CG2-CG2 4.07Å; C272-T275 WeakPolarHBondContact O-CB 3.37Å; C272-T275 PolarHBondContact O-N 3.43Å; C272-T275 PolarHBondContact SG-OG1 3.25Å; C272-T275 VanDerWaalsContact SG-OG1 3.34Å; T275-K277 VanDerWaalsContact C-N 3.28Å; T275-K277 PolarHBondContact O-N 2.62Å; T275-L278 WeakPolarHBondContact O-CB 2.99Å; T275-L278 PolarHBondContact O-N 3.26Å; T275-I279 HydrophobicContact CG2-CD1 4.13Å; T275-I279 WeakPolarHBondContact O-CG1 3.28Å; T275-I279 PolarHBondContact O-N 3.13Å
276S96.4Very high95.6Very high0 Ų031.8 Ų31.80%017%0.171CC..Hα-helixtrans-55.7-40.7173.4-71.10000112.9R251 F254 T270 C272 H274 L280R251-S276 PolarHBondContact O-OG 3.44Å; F254-S276 WeakPolarHBondContact CE2-O 3.19Å; T270-S276 PolarHBondContact OG1-OG 2.94Å; C272-S276 PolarHBondContact O-N 3.25Å; H274-S276 PolarHBondContact O-N 3.01Å; S276-L280 WeakPolarHBondContact O-CB 3.11Å; S276-L280 PolarHBondContact O-N 3.23Å
277K93.2Very high95.7Very high99 Ų9935.1 Ų35.143%0.4319%0.187SC..Hα-helixtrans-65.5-40.7174.9-75.5171.1-179.9178.30112.7Y249 T273 H274 T275 N281Y249-K277 HydrophobicContact CE1-CG 3.93Å; Y249-K277 HydrophobicContact CE2-CG 4.22Å; Y249-K277 WeakPolarHBondContact OH-CE 3.42Å; Y249-K277 WeakPolarHBondContact OH-CG 3.17Å; T273-K277 WeakPolarHBondContact O-CG 3.45Å; T273-K277 PolarHBondContact O-N 2.94Å; T273-K277 VanDerWaalsContact O-N 3.12Å; H274-K277 WeakPolarHBondContact O-CB 3.17Å; H274-K277 PolarHBondContact O-N 3.29Å; H274-K277 VanDerWaalsContact O-N 3.13Å; T275-K277 VanDerWaalsContact C-N 3.28Å; T275-K277 PolarHBondContact O-N 2.62Å; K277-N281 WeakPolarHBondContact O-CB 3.47Å; K277-N281 PolarHBondContact O-N 2.78Å; K277-N281 PolarHBondContact O-ND2 3.27Å; K277-N281 VanDerWaalsContact O-ND2 3.1Å
278L93.6Very high95.6Very high27 Ų2740.9 Ų40.914%0.14121%0.21CC..Hα-helixtrans-63.5-48.5178-69.5178.2000111F205 H274 T275 L280 N281 L282F205-L278 HydrophobicContact CE1-CB 4Å; F205-L278 HydrophobicContact CE1-CD1 4.49Å; F205-L278 HydrophobicContact CZ-CB 4.34Å; H274-L278 PolarHBondContact O-N 2.93Å; T275-L278 WeakPolarHBondContact O-CB 2.99Å; T275-L278 PolarHBondContact O-N 3.26Å; L278-L280 VanDerWaalsContact C-N 3.35Å; L278-L280 PolarHBondContact O-N 3.42Å; L278-N281 PolarHBondContact O-N 2.99Å; L278-L282 WeakPolarHBondContact O-CB 3.38Å; L278-L282 PolarHBondContact O-N 3.2Å
279I96.8Very high95.5Very high0 Ų041.8 Ų41.80%022%0.215CC..Hα-helixtrans-55.6-50.2175.9-69170.4000110.2F205 I207 L217 I219 F254 F268 T270 T275 N281 L282 S283F205-I279 HydrophobicContact CB-CD1 3.94Å; F205-I279 HydrophobicContact CB-CG1 4.19Å; F205-I279 HydrophobicContact CD1-CD1 4.26Å; F205-I279 HydrophobicContact CD1-CG1 3.8Å; F205-I279 HydrophobicContact CD2-CD1 4.39Å; F205-I279 HydrophobicContact CD2-CG1 3.74Å; F205-I279 HydrophobicContact CE1-CG1 4.05Å; F205-I279 HydrophobicContact CE2-CG1 4.01Å; F205-I279 HydrophobicContact CG-CD1 3.94Å; F205-I279 HydrophobicContact CG-CG1 3.62Å; F205-I279 HydrophobicContact CZ-CG1 4.15Å; I207-I279 HydrophobicContact CG2-CD1 4.47Å; L217-I279 HydrophobicContact CD2-CD1 3.81Å; L217-I279 HydrophobicContact CD2-CG1 4.16Å; L217-I279 HydrophobicContact CD2-CG2 3.86Å; I219-I279 HydrophobicContact CD1-CB 4.31Å; I219-I279 HydrophobicContact CD1-CG1 4.3Å; I219-I279 HydrophobicContact CD1-CG2 3.9Å; F254-I279 HydrophobicContact CD2-CG2 4.16Å; F254-I279 HydrophobicContact CE1-CG2 4.2Å; F254-I279 HydrophobicContact CE2-CB 4.01Å; F254-I279 HydrophobicContact CE2-CG2 3.58Å; F254-I279 HydrophobicContact CZ-CB 4.47Å; F254-I279 HydrophobicContact CZ-CG2 3.61Å; F268-I279 HydrophobicContact CE2-CD1 4.1Å; F268-I279 HydrophobicContact CZ-CG2 4.35Å; T270-I279 HydrophobicContact CG2-CD1 3.58Å; T275-I279 HydrophobicContact CG2-CD1 4.13Å; T275-I279 WeakPolarHBondContact O-CG1 3.28Å; T275-I279 PolarHBondContact O-N 3.13Å; I279-N281 PolarHBondContact O-N 2.99Å; I279-L282 PolarHBondContact O-N 3.5Å; I279-S283 VanDerWaalsContact O-CB 3.23Å; I279-S283 WeakPolarHBondContact O-CB 3.49Å; I279-S283 PolarHBondContact O-N 3.08Å; I279-S283 PolarHBondContact O-OG 3.41Å
280L96.2Very high95.4Very high37 Ų3739.8 Ų39.819%0.19421%0.208CC..Hα-helixtrans-58.7-48.2179.7-177.666.8000111.8L247 Y249 F254 S276 L278 T284L247-L280 HydrophobicContact CB-CD1 3.56Å; Y249-L280 HydrophobicContact CD1-CB 4.19Å; Y249-L280 HydrophobicContact CD1-CD2 3.8Å; Y249-L280 HydrophobicContact CE1-CB 4.38Å; Y249-L280 HydrophobicContact CE1-CD2 3.63Å; F254-L280 HydrophobicContact CE2-CB 4.03Å; F254-L280 HydrophobicContact CZ-CB 4.26Å; F254-L280 HydrophobicContact CZ-CD1 4.26Å; S276-L280 WeakPolarHBondContact O-CB 3.11Å; S276-L280 PolarHBondContact O-N 3.23Å; L278-L280 VanDerWaalsContact C-N 3.35Å; L278-L280 PolarHBondContact O-N 3.42Å; L280-T284 VanDerWaalsContact O-CB 3.29Å; L280-T284 WeakPolarHBondContact O-CB 3.38Å; L280-T284 PolarHBondContact O-N 3.4Å; L280-T284 PolarHBondContact O-OG1 3.33Å
281N93.7Very high95.2Very high48 Ų4841.6 Ų41.626%0.25722%0.223SC..Hα-helixtrans-65.5-43.2-177.2-69.3-29.3000111.9K277 L278 I279 G285K277-N281 WeakPolarHBondContact O-CB 3.47Å; K277-N281 PolarHBondContact O-N 2.78Å; K277-N281 PolarHBondContact O-ND2 3.27Å; K277-N281 VanDerWaalsContact O-ND2 3.1Å; L278-N281 PolarHBondContact O-N 2.99Å; I279-N281 PolarHBondContact O-N 2.99Å; N281-G285 PolarHBondContact O-N 3.5Å; N281-G285 VanDerWaalsContact O-N 3.16Å
282L95.5Very high95.2Very high6 Ų640.8 Ų40.83%0.03122%0.217CC..Hα-helixtrans-67.1-47.4179.6-175.362.8000110.9K83 Y84 T203 F205 I219 L278 I279 T284 G285 N286K83-L282 HydrophobicContact CG-CD1 4.32Å; Y84-L282 HydrophobicContact CD1-CD1 4.18Å; Y84-L282 HydrophobicContact CE1-CD1 3.89Å; T203-L282 HydrophobicContact CG2-CD2 3.71Å; F205-L282 HydrophobicContact CE2-CD2 3.98Å; F205-L282 HydrophobicContact CZ-CD2 4.21Å; I219-L282 HydrophobicContact CB-CD2 4.22Å; I219-L282 HydrophobicContact CD1-CD2 4.27Å; I219-L282 HydrophobicContact CG2-CD2 4.29Å; I219-L282 HydrophobicContact CG2-CG 4.22Å; L278-L282 WeakPolarHBondContact O-CB 3.38Å; L278-L282 PolarHBondContact O-N 3.2Å; I279-L282 PolarHBondContact O-N 3.5Å; L282-T284 VanDerWaalsContact C-N 3.33Å; L282-T284 PolarHBondContact O-N 2.96Å; L282-G285 PolarHBondContact O-N 2.83Å; L282-N286 PolarHBondContact O-N 3.11Å; L282-N286 PolarHBondContact O-ND2 3.01Å
283S97.7Very high95.1Very high0 Ų041.4 Ų41.40%021%0.213CC..Hα-helixtrans-60.6-41.8177.5-540000112I279 G285 N286 H287I279-S283 VanDerWaalsContact O-CB 3.23Å; I279-S283 WeakPolarHBondContact O-CB 3.49Å; I279-S283 PolarHBondContact O-N 3.08Å; I279-S283 PolarHBondContact O-OG 3.41Å; S283-G285 VanDerWaalsContact C-N 3.31Å; S283-G285 PolarHBondContact O-N 2.97Å; S283-N286 PolarHBondContact O-N 2.86Å; S283-H287 WeakPolarHBondContact O-CB 3.4Å; S283-H287 PolarHBondContact O-N 3.44Å
284T95.6Very high95.1Very high76 Ų7644.2 Ų44.247%0.46622%0.218SC..Hα-helixtrans-62.6-39.7177.6-57.70000111.5L280 L282 K288L280-T284 VanDerWaalsContact O-CB 3.29Å; L280-T284 WeakPolarHBondContact O-CB 3.38Å; L280-T284 PolarHBondContact O-N 3.4Å; L280-T284 PolarHBondContact O-OG1 3.33Å; L282-T284 VanDerWaalsContact C-N 3.33Å; L282-T284 PolarHBondContact O-N 2.96Å; T284-K288 WeakPolarHBondContact O-CB 3.34Å; T284-K288 PolarHBondContact O-N 3.35Å
285G94.6Very high95.2Very high12 Ų1248.3 Ų48.312%0.12424%0.238CC..Hα-helixtrans-67.3-47.3176.700000112.7N281 L282 S283 K288 L289N281-G285 PolarHBondContact O-N 3.5Å; N281-G285 VanDerWaalsContact O-N 3.16Å; L282-G285 PolarHBondContact O-N 2.83Å; S283-G285 VanDerWaalsContact C-N 3.31Å; S283-G285 PolarHBondContact O-N 2.97Å; G285-K288 PolarHBondContact O-N 3.32Å; G285-L289 PolarHBondContact O-N 3.29Å; G285-L289 VanDerWaalsContact O-N 3.07Å
286N97.2Very high95.1Very high5 Ų552.6 Ų52.63%0.02727%0.265CS..Hα-helixtrans-61.3-48.5175.6-81-55.2000111.9W241 L282 S283 K288 L289 Y290W241-N286 HydrophobicContact CZ2-CB 3.77Å; L282-N286 PolarHBondContact O-N 3.11Å; L282-N286 PolarHBondContact O-ND2 3.01Å; S283-N286 PolarHBondContact O-N 2.86Å; N286-K288 VanDerWaalsContact C-N 3.28Å; N286-K288 PolarHBondContact O-N 2.87Å; N286-L289 PolarHBondContact O-N 3.37Å; N286-L289 VanDerWaalsContact O-N 3.12Å; N286-Y290 WeakPolarHBondContact O-CB 3.45Å; N286-Y290 PolarHBondContact O-N 3.24Å
287H96.9Very high95Very high71 Ų7155.7 Ų55.733%0.32928%0.282SS..Hα-helixtrans-58-39.3175.9178.1-83.5000112.3W241 S283 Y290 A291W241-H287 HydrophobicContact CD2-CB 4.08Å; W241-H287 HydrophobicContact CE3-CB 3.95Å; W241-H287 HydrophobicContact CG-CB 4.46Å; W241-H287 HydrophobicContact CZ3-CB 4.49Å; S283-H287 WeakPolarHBondContact O-CB 3.4Å; S283-H287 PolarHBondContact O-N 3.44Å; H287-Y290 WeakPolarHBondContact O-CB 3.27Å; H287-Y290 PolarHBondContact O-N 2.95Å; H287-A291 PolarHBondContact O-N 2.76Å
288K95.8Very high95Very high139 Ų13954 Ų5460%0.60428%0.282SS*.Hα-helixtrans-62.2-45.9175.2-178.9-178.6175.8-175.20111.5T284 G285 N286 A291 I292T284-K288 WeakPolarHBondContact O-CB 3.34Å; T284-K288 PolarHBondContact O-N 3.35Å; G285-K288 PolarHBondContact O-N 3.32Å; N286-K288 VanDerWaalsContact C-N 3.28Å; N286-K288 PolarHBondContact O-N 2.87Å; K288-A291 PolarHBondContact O-N 3.13Å; K288-I292 HydrophobicContact CG-CD1 4.04Å; K288-I292 WeakPolarHBondContact O-CG1 3.28Å; K288-I292 PolarHBondContact O-N 2.79Å
289L95.7Very high95Very high19 Ų1958.5 Ų58.510%0.09931%0.306CS..Hα-helixtrans-66.6-40.6178.3-70.3170.3000111.5W43 Y84 G285 N286 A291 I292 R293W43-L289 HydrophobicContact CB-CD2 4.39Å; W43-L289 HydrophobicContact CG-CD2 4.41Å; Y84-L289 HydrophobicContact CD1-CD1 4.27Å; Y84-L289 HydrophobicContact CD2-CD1 3.93Å; Y84-L289 HydrophobicContact CG-CD1 3.58Å; G285-L289 PolarHBondContact O-N 3.29Å; G285-L289 VanDerWaalsContact O-N 3.07Å; N286-L289 PolarHBondContact O-N 3.37Å; N286-L289 VanDerWaalsContact O-N 3.12Å; L289-A291 VanDerWaalsContact C-N 3.3Å; L289-A291 PolarHBondContact O-N 2.8Å; L289-I292 PolarHBondContact O-N 3.24Å; L289-I292 VanDerWaalsContact O-N 3.17Å; L289-R293 WeakPolarHBondContact O-CG 3.46Å; L289-R293 PolarHBondContact O-N 2.95Å
290Y96.1Very high94.9Very high20 Ų2063.9 Ų63.98%0.07833%0.331CS..Hα-helixtrans-54.8-44.3171.8178.3-84.9000112E87 W241 N242 N286 H287 R294E87-Y290 WeakPolarHBondContact OE1-CD2 3.39Å; W241-Y290 HydrophobicContact CB-CD1 3.5Å; W241-Y290 VanDerWaalsContact CB-CD1 3.5Å; W241-Y290 HydrophobicContact CB-CD2 3.77Å; W241-Y290 HydrophobicContact CB-CE1 3.71Å; W241-Y290 HydrophobicContact CB-CE2 3.9Å; W241-Y290 HydrophobicContact CB-CG 3.54Å; W241-Y290 AromaticContact CD1-CD2 3.47Å; W241-Y290 VanDerWaalsContact CD1-CD2 3.47Å; W241-Y290 AromaticContact CD1-CG 3.65Å; W241-Y290 HydrophobicContact CG-CD1 4.35Å; W241-Y290 HydrophobicContact CG-CD2 4.02Å; W241-Y290 HydrophobicContact CG-CE2 4.47Å; W241-Y290 AromaticContact CG-CG 3.93Å; W241-Y290 HydrophobicContact CG-CG 3.93Å; N242-Y290 HydrophobicContact CB-CE1 4.01Å; N242-Y290 WeakPolarHBondContact CB-OH 3.46Å; N242-Y290 PolarHBondContact OD1-OH 3.24Å; N242-Y290 VanDerWaalsContact OD1-OH 3.07Å; N286-Y290 WeakPolarHBondContact O-CB 3.45Å; N286-Y290 PolarHBondContact O-N 3.24Å; H287-Y290 WeakPolarHBondContact O-CB 3.27Å; H287-Y290 PolarHBondContact O-N 2.95Å; Y290-R294 VanDerWaalsContact CD2-CZ 3.49Å; Y290-R294 VanDerWaalsContact CE1-NE 3.27Å; Y290-R294 PolarHBondContact O-NH1 2.87Å; Y290-R294 PolarHBondContact OH-NE 3.26Å; Y290-R294 PolarHBondContact OH-NH2 3.02Å
291A95.3Very high94.8Very high42 Ų4263.1 Ų63.135%0.34733%0.327SS..Hα-helixtrans-67.2-40.7176.900000112.5H287 K288 L289 R294H287-A291 PolarHBondContact O-N 2.76Å; K288-A291 PolarHBondContact O-N 3.13Å; L289-A291 VanDerWaalsContact C-N 3.3Å; L289-A291 PolarHBondContact O-N 2.8Å; A291-R294 PolarHBondContact O-N 2.92Å
292I94.1Very high94.8Very high93 Ų9365.2 Ų65.248%0.47734%0.336SS..Hα-helixtrans-62.6-42.6177.9-71166.8000111.2K288 L289 R294 Q295K288-I292 HydrophobicContact CG-CD1 4.04Å; K288-I292 WeakPolarHBondContact O-CG1 3.28Å; K288-I292 PolarHBondContact O-N 2.79Å; L289-I292 PolarHBondContact O-N 3.24Å; L289-I292 VanDerWaalsContact O-N 3.17Å; I292-R294 PolarHBondContact O-N 3.09Å; I292-R294 VanDerWaalsContact O-N 3.12Å; I292-Q295 WeakPolarHBondContact O-CB 3.19Å; I292-Q295 PolarHBondContact O-N 3.44Å
293R93Very high94.8Very high56 Ų5671.1 Ų71.121%0.21136%0.363CS..Hα-helixtrans-58.9-23.9179.1-73.6171.1-172.5119.84.7114.6Y85 E92 L289Y85-R293 PolarHBondContact O-NH2 3.12Å; E92-R293 IonicContact OE1-NE 3.46Å; E92-R293 WeakPolarHBondContact OE2-CD 3.29Å; E92-R293 IonicContact OE2-CZ 3.3Å; E92-R293 IonicContact OE2-NE 2.8Å; E92-R293 PolarHBondContact OE2-NE 3.46Å; E92-R293 IonicContact OE2-NH2 2.79Å; L289-R293 WeakPolarHBondContact O-CG 3.46Å; L289-R293 PolarHBondContact O-N 2.95Å
294R93.7Very high94.6Very high113 Ų11371.4 Ų71.443%0.42637%0.365SS..THydrogen-bonded Turntrans-91-4179.2-73.3157.4-179.567.814.6112.9E87 Y290 A291 I292E87-R294 IonicContact OE1-CZ 3.42Å; E87-R294 IonicContact OE1-NH1 3.69Å; E87-R294 PolarHBondContact OE1-NH1 3.25Å; E87-R294 IonicContact OE1-NH2 2.94Å; E87-R294 PolarHBondContact OE1-NH2 2.82Å; E87-R294 IonicContact OE2-NH2 2.94Å; Y290-R294 VanDerWaalsContact CD2-CZ 3.49Å; Y290-R294 VanDerWaalsContact CE1-NE 3.27Å; Y290-R294 PolarHBondContact O-NH1 2.87Å; Y290-R294 PolarHBondContact OH-NE 3.26Å; Y290-R294 PolarHBondContact OH-NH2 3.02Å; A291-R294 PolarHBondContact O-N 2.92Å; I292-R294 PolarHBondContact O-N 3.09Å; I292-R294 VanDerWaalsContact O-N 3.12Å
295Q93.1Very high94.6Very high128 Ų12871.6 Ų71.660%0.59836%0.359SS*.SBendtrans-93.7157.5168.8-57.6-55.2-53.300109.1I292I292-Q295 WeakPolarHBondContact O-CB 3.19Å; I292-Q295 PolarHBondContact O-N 3.44Å
296P93.4Very high94.6Very high113 Ų11375 Ų7573%0.73438%0.377SS*.PPolyproline II helixtrans-53.5142.9167.5-23.934.1000110.9S298P296-S298 PolarHBondContact O-N 3.45Å
297D93.1Very high94.5Very high66 Ų6679.2 Ų79.235%0.35340%0.395SS..PPolyproline II helixtrans-51.7139.5175.2-74.6-31.4000110.6V301 Q302 K305D297-V301 HydrophobicContact CB-CB 4.15Å; D297-V301 HydrophobicContact CB-CG1 3.87Å; D297-Q302 HydrophobicContact CB-CG 3.64Å; D297-Q302 PolarHBondContact O-NE2 3.01Å; D297-K305 IonicContact OD1-NZ 2.92Å; D297-K305 WeakPolarHBondContact OD2-CE 3.43Å; D297-K305 IonicContact OD2-NZ 3.55Å; D297-K305 PolarHBondContact OD2-NZ 2.92Å
298S93.6Very high94.3Very high62 Ų6277 Ų7743%0.43439%0.389SS..PPolyproline II helixtrans-61.1154.2170.972.60000110.2P296 E300 V301 Q302P296-S298 PolarHBondContact O-N 3.45Å; S298-E300 PolarHBondContact O-N 2.84Å; S298-E300 VanDerWaalsContact O-N 3.13Å; S298-V301 PolarHBondContact O-N 3.39Å; S298-V301 WeakPolarHBondContact OG-CG2 3.44Å; S298-V301 PolarHBondContact OG-N 3.3Å; S298-Q302 WeakPolarHBondContact O-CG 3.45Å; S298-Q302 PolarHBondContact O-N 3.08Å
299I94.2Very high94.1Very high123 Ų12377.4 Ų77.463%0.63139%0.391SS*.Hα-helixtrans-52.1-39.3176.4-64.5163.8000111Q302 Q303I299-Q302 PolarHBondContact O-N 3.41Å; I299-Q303 WeakPolarHBondContact O-CB 3.38Å; I299-Q303 VanDerWaalsContact O-CG 3.29Å; I299-Q303 WeakPolarHBondContact O-CG 3.27Å; I299-Q303 PolarHBondContact O-N 3.35Å
300E93.5Very high94.1Very high113 Ų11381.9 Ų81.953%0.52841%0.411SS..Hα-helixtrans-61.5-49.3176.4-167.8-174.5174.600111.6S298 Q302 Q303 M304S298-E300 PolarHBondContact O-N 2.84Å; S298-E300 VanDerWaalsContact O-N 3.13Å; E300-Q302 VanDerWaalsContact C-N 3.35Å; E300-Q302 PolarHBondContact O-N 3.41Å; E300-Q303 PolarHBondContact O-N 2.85Å; E300-M304 HydrophobicContact CG-CE 3.73Å; E300-M304 VanDerWaalsContact O-CG 3.27Å; E300-M304 WeakPolarHBondContact O-CG 3.24Å; E300-M304 PolarHBondContact O-N 2.96Å; E300-M304 WeakPolarHBondContact OE1-CE 3.21Å
301V94.5Very high93.8Very high20 Ų2086.9 Ų86.912%0.12143%0.43CS..Hα-helixtrans-63.1-40.7177.8171.10000111.2W43 I94 D297 S298 Q303 M304 K305W43-V301 HydrophobicContact CH2-CG2 4.07Å; W43-V301 HydrophobicContact CZ2-CG2 4.36Å; I94-V301 HydrophobicContact CD1-CG1 3.74Å; D297-V301 HydrophobicContact CB-CB 4.15Å; D297-V301 HydrophobicContact CB-CG1 3.87Å; S298-V301 PolarHBondContact O-N 3.39Å; S298-V301 WeakPolarHBondContact OG-CG2 3.44Å; S298-V301 PolarHBondContact OG-N 3.3Å; V301-Q303 PolarHBondContact O-N 2.79Å; V301-M304 WeakPolarHBondContact O-CB 3.37Å; V301-M304 PolarHBondContact O-N 2.93Å; V301-K305 WeakPolarHBondContact O-CG 3.39Å; V301-K305 PolarHBondContact O-N 3.16Å
302Q94.9Very high93.5Very high93 Ų9388.6 Ų88.644%0.43543%0.431SS..Hα-helixtrans-59.4-46.8174.8-68.2178.2-6.900111.4D297 S298 I299 E300 M304 K305 V306D297-Q302 HydrophobicContact CB-CG 3.64Å; D297-Q302 PolarHBondContact O-NE2 3.01Å; S298-Q302 WeakPolarHBondContact O-CG 3.45Å; S298-Q302 PolarHBondContact O-N 3.08Å; I299-Q302 PolarHBondContact O-N 3.41Å; E300-Q302 VanDerWaalsContact C-N 3.35Å; E300-Q302 PolarHBondContact O-N 3.41Å; Q302-M304 VanDerWaalsContact C-N 3.31Å; Q302-M304 PolarHBondContact O-N 3.29Å; Q302-K305 PolarHBondContact O-N 2.67Å; Q302-V306 WeakPolarHBondContact O-CG2 3.45Å; Q302-V306 PolarHBondContact O-N 2.61Å
303Q95.5Very high93.3Very high129 Ų12988.1 Ų88.160%0.60343%0.433SS*.Hα-helixtrans-62-38.3175.1-72.9174.3-900112.1I299 E300 V301 K307I299-Q303 WeakPolarHBondContact O-CB 3.38Å; I299-Q303 VanDerWaalsContact O-CG 3.29Å; I299-Q303 WeakPolarHBondContact O-CG 3.27Å; I299-Q303 PolarHBondContact O-N 3.35Å; E300-Q303 PolarHBondContact O-N 2.85Å; V301-Q303 PolarHBondContact O-N 2.79Å; Q303-K307 WeakPolarHBondContact O-CB 3.47Å; Q303-K307 PolarHBondContact O-N 2.62Å
304M93.9Very high93.2Very high6 Ų690.1 Ų90.13%0.0345%0.446CS..Hα-helixtrans-62-44.6174.2-62.9-158.7-157.200111.4R40 E41 W43 I94 E300 V301 Q302 K307 A308R40-M304 HydrophobicContact CB-CE 3.96Å; R40-M304 HydrophobicContact CB-SD 4Å; E41-M304 HydrophobicContact CG-SD 4.32Å; W43-M304 HydrophobicContact CH2-CE 4.32Å; I94-M304 HydrophobicContact CD1-CB 4.38Å; I94-M304 HydrophobicContact CG2-CB 3.82Å; I94-M304 WeakPolarHBondContact CG2-O 3.38Å; E300-M304 HydrophobicContact CG-CE 3.73Å; E300-M304 VanDerWaalsContact O-CG 3.27Å; E300-M304 WeakPolarHBondContact O-CG 3.24Å; E300-M304 PolarHBondContact O-N 2.96Å; E300-M304 WeakPolarHBondContact OE1-CE 3.21Å; V301-M304 WeakPolarHBondContact O-CB 3.37Å; V301-M304 PolarHBondContact O-N 2.93Å; Q302-M304 VanDerWaalsContact C-N 3.31Å; Q302-M304 PolarHBondContact O-N 3.29Å; M304-K307 PolarHBondContact O-N 3.04Å; M304-A308 VanDerWaalsContact O-CB 3.27Å; M304-A308 WeakPolarHBondContact O-CB 3.27Å; M304-A308 PolarHBondContact O-N 3.19Å
305K94.8Very high92.9Very high80 Ų8087.3 Ų87.335%0.34844%0.436SS..Hα-helixtrans-63.4-45.5178.7-73.2-176.7177.3178.20112.3I94 D297 V301 Q302 A308 K309I94-K305 HydrophobicContact CD1-CD 4.32Å; I94-K305 HydrophobicContact CD1-CG 3.59Å; I94-K305 HydrophobicContact CG1-CG 3.87Å; I94-K305 HydrophobicContact CG2-CG 4.33Å; D297-K305 IonicContact OD1-NZ 2.92Å; D297-K305 WeakPolarHBondContact OD2-CE 3.43Å; D297-K305 IonicContact OD2-NZ 3.55Å; D297-K305 PolarHBondContact OD2-NZ 2.92Å; V301-K305 WeakPolarHBondContact O-CG 3.39Å; V301-K305 PolarHBondContact O-N 3.16Å; Q302-K305 PolarHBondContact O-N 2.67Å; K305-A308 PolarHBondContact O-N 3.2Å; K305-K309 WeakPolarHBondContact O-CB 3.26Å; K305-K309 PolarHBondContact O-N 3.4Å
306V95.4Very high92.6Very high84 Ų8483.7 Ų83.751%0.50942%0.42SS..Hα-helixtrans-59.3-51.1176.9172.40000110.3Q302 A308 K309 E310Q302-V306 WeakPolarHBondContact O-CG2 3.45Å; Q302-V306 PolarHBondContact O-N 2.61Å; V306-A308 VanDerWaalsContact C-N 3.32Å; V306-A308 PolarHBondContact O-N 2.72Å; V306-K309 PolarHBondContact O-N 3.28Å; V306-K309 VanDerWaalsContact O-N 3.16Å; V306-E310 WeakPolarHBondContact O-CG 3.29Å; V306-E310 PolarHBondContact O-N 3.15Å
307K94.5Very high92.3Very high93 Ų9380.9 Ų80.940%0.40441%0.407SS..Hα-helixtrans-63.1-36.4179-172.7175-174.9173.90113Q303 M304 R311Q303-K307 WeakPolarHBondContact O-CB 3.47Å; Q303-K307 PolarHBondContact O-N 2.62Å; M304-K307 PolarHBondContact O-N 3.04Å; K307-R311 WeakPolarHBondContact O-CB 3.46Å; K307-R311 VanDerWaalsContact O-CG 3.28Å; K307-R311 WeakPolarHBondContact O-CG 3.48Å; K307-R311 PolarHBondContact O-N 3.18Å; K307-R311 VanDerWaalsContact O-N 3.08Å
308A92.7Very high92.1Very high24 Ų2483.8 Ų83.820%0.19842%0.418CS..Hα-helixtrans-66.7-41.5175.800000111.3I94 M304 K305 V306 R311 Q312I94-A308 HydrophobicContact CG2-CB 3.64Å; M304-A308 VanDerWaalsContact O-CB 3.27Å; M304-A308 WeakPolarHBondContact O-CB 3.27Å; M304-A308 PolarHBondContact O-N 3.19Å; K305-A308 PolarHBondContact O-N 3.2Å; V306-A308 VanDerWaalsContact C-N 3.32Å; V306-A308 PolarHBondContact O-N 2.72Å; A308-R311 PolarHBondContact O-N 2.82Å; A308-Q312 WeakPolarHBondContact O-CB 3.26Å; A308-Q312 PolarHBondContact O-N 2.87Å
309K92.1Very high91.5Very high149 Ų14984.1 Ų84.165%0.64841%0.41SS*.Hα-helixtrans-64.2-45.7175.9-171.3176.6-179.2-177.60111.8K305 V306 R311 Q312 T313K305-K309 WeakPolarHBondContact O-CB 3.26Å; K305-K309 PolarHBondContact O-N 3.4Å; V306-K309 PolarHBondContact O-N 3.28Å; V306-K309 VanDerWaalsContact O-N 3.16Å; K309-R311 PolarHBondContact O-N 3Å; K309-Q312 WeakPolarHBondContact O-CB 3.36Å; K309-Q312 PolarHBondContact O-N 3.5Å; K309-Q312 VanDerWaalsContact O-N 3.13Å; K309-T313 PolarHBondContact O-N 2.87Å; K309-T313 PolarHBondContact O-OG1 3.46Å
310E93.9Very high91.1Very high112 Ų11284 Ų8452%0.52341%0.407SS..Hα-helixtrans-57.4-46.9174.8-71.7169.8174.200111.8V306 Q312 T313 I314V306-E310 WeakPolarHBondContact O-CG 3.29Å; V306-E310 PolarHBondContact O-N 3.15Å; E310-Q312 VanDerWaalsContact C-N 3.28Å; E310-Q312 PolarHBondContact O-N 2.89Å; E310-T313 PolarHBondContact O-N 3.31Å; E310-I314 VanDerWaalsContact O-CG1 3.3Å; E310-I314 WeakPolarHBondContact O-CG1 3.5Å; E310-I314 PolarHBondContact O-N 3.05Å
311R91.4Very high90.8Very high125 Ų12585.8 Ų85.847%0.47241%0.413SS..Hα-helixtrans-63.2-34.6176.1-75.1175175-159.8-5.6112.8K307 A308 K309 R315K307-R311 WeakPolarHBondContact O-CB 3.46Å; K307-R311 VanDerWaalsContact O-CG 3.28Å; K307-R311 WeakPolarHBondContact O-CG 3.48Å; K307-R311 PolarHBondContact O-N 3.18Å; K307-R311 VanDerWaalsContact O-N 3.08Å; A308-R311 PolarHBondContact O-N 2.82Å; K309-R311 PolarHBondContact O-N 3Å; R311-R315 WeakPolarHBondContact O-CB 3.18Å; R311-R315 VanDerWaalsContact O-CG 3.28Å; R311-R315 WeakPolarHBondContact O-CG 3.34Å; R311-R315 PolarHBondContact O-N 3.34Å; R311-R315 VanDerWaalsContact O-N 3.16Å; R311-R315 PolarHBondContact O-NE 2.98Å
312Q88.6Confident90.2Very high79 Ų7989.1 Ų89.137%0.36943%0.43SS..Hα-helixtrans-67.7-51175.7-179.5164.111.700110.5A308 K309 E310 I314 R315 D316A308-Q312 WeakPolarHBondContact O-CB 3.26Å; A308-Q312 PolarHBondContact O-N 2.87Å; K309-Q312 WeakPolarHBondContact O-CB 3.36Å; K309-Q312 PolarHBondContact O-N 3.5Å; K309-Q312 VanDerWaalsContact O-N 3.13Å; E310-Q312 VanDerWaalsContact C-N 3.28Å; E310-Q312 PolarHBondContact O-N 2.89Å; Q312-I314 VanDerWaalsContact C-N 3.31Å; Q312-I314 PolarHBondContact O-N 3.5Å; Q312-R315 PolarHBondContact O-N 3.46Å; Q312-R315 VanDerWaalsContact O-N 3.08Å; Q312-D316 VanDerWaalsContact CG-OD2 3.28Å; Q312-D316 WeakPolarHBondContact CG-OD2 3.49Å; Q312-D316 PolarHBondContact O-N 3.44Å
313T90.4Very high89.5Confident83 Ų8391.6 Ų91.651%0.50944%0.435SS..Hα-helixtrans-56.6-42.4177.5-58.30000112.7K309 E310 D316 A317K309-T313 PolarHBondContact O-N 2.87Å; K309-T313 PolarHBondContact O-OG1 3.46Å; E310-T313 PolarHBondContact O-N 3.31Å; T313-D316 PolarHBondContact O-N 2.9Å; T313-A317 WeakPolarHBondContact O-CB 3.36Å; T313-A317 PolarHBondContact O-N 2.89Å
314I91.2Very high89Confident97 Ų9788.1 Ų88.150%0.49743%0.428SS..Hα-helixtrans-62.3-46.7176.1-67.7164.5000110.9E310 Q312 A317 E318E310-I314 VanDerWaalsContact O-CG1 3.3Å; E310-I314 WeakPolarHBondContact O-CG1 3.5Å; E310-I314 PolarHBondContact O-N 3.05Å; Q312-I314 VanDerWaalsContact C-N 3.31Å; Q312-I314 PolarHBondContact O-N 3.5Å; I314-A317 PolarHBondContact O-N 3.43Å; I314-E318 WeakPolarHBondContact O-CG 3.5Å; I314-E318 PolarHBondContact O-N 3.48Å
315R87Confident88.7Confident54 Ų5494 Ų9420%0.20446%0.455CS..Hα-helixtrans-64.5-40.2179.2-75.8-174.3-61.21776.4112.4E96 D184 R311 Q312 E318 R319E96-R315 IonicContact OE2-NH1 3.86Å; E96-R315 PolarHBondContact OE2-NH1 3.35Å; D184-R315 IonicContact OD2-CZ 2.66Å; D184-R315 IonicContact OD2-NH1 2.84Å; D184-R315 PolarHBondContact OD2-NH1 2.65Å; D184-R315 IonicContact OD2-NH2 2.98Å; D184-R315 PolarHBondContact OD2-NH2 3.32Å; R311-R315 WeakPolarHBondContact O-CB 3.18Å; R311-R315 VanDerWaalsContact O-CG 3.28Å; R311-R315 WeakPolarHBondContact O-CG 3.34Å; R311-R315 PolarHBondContact O-N 3.34Å; R311-R315 VanDerWaalsContact O-N 3.16Å; R311-R315 PolarHBondContact O-NE 2.98Å; Q312-R315 PolarHBondContact O-N 3.46Å; Q312-R315 VanDerWaalsContact O-N 3.08Å; R315-E318 PolarHBondContact O-N 2.92Å; R315-R319 WeakPolarHBondContact O-CG 3.25Å; R315-R319 PolarHBondContact O-N 3.38Å
316D85.3Confident88Confident52 Ų5294.1 Ų94.128%0.27846%0.457SS..Hα-helixtrans-65.5-44.2179.8-64.7-19.4000110Q312 T313 E318 R319 E320Q312-D316 VanDerWaalsContact CG-OD2 3.28Å; Q312-D316 WeakPolarHBondContact CG-OD2 3.49Å; Q312-D316 PolarHBondContact O-N 3.44Å; T313-D316 PolarHBondContact O-N 2.9Å; D316-E318 PolarHBondContact O-N 3.49Å; D316-R319 PolarHBondContact O-N 2.72Å; D316-E320 WeakPolarHBondContact O-CB 3.26Å; D316-E320 PolarHBondContact O-N 3.17Å
317A88.9Confident87.4Confident55 Ų5595.4 Ų95.446%0.45546%0.458SS..Hα-helixtrans-63.1-41.3174.700000113T313 I314 R319 K321T313-A317 WeakPolarHBondContact O-CB 3.36Å; T313-A317 PolarHBondContact O-N 2.89Å; I314-A317 PolarHBondContact O-N 3.43Å; A317-R319 VanDerWaalsContact C-N 3.32Å; A317-R319 PolarHBondContact O-N 2.91Å; A317-K321 WeakPolarHBondContact O-CB 3.06Å; A317-K321 PolarHBondContact O-N 3.13Å
318E87.5Confident87.1Confident126 Ų12693.3 Ų93.359%0.58946%0.458SS*.Hα-helixtrans-62.3-39.2174.9-77.1176.3177.900112I314 R315 D316 L322I314-E318 WeakPolarHBondContact O-CG 3.5Å; I314-E318 PolarHBondContact O-N 3.48Å; R315-E318 PolarHBondContact O-N 2.92Å; D316-E318 PolarHBondContact O-N 3.49Å; E318-L322 WeakPolarHBondContact O-CB 3.28Å; E318-L322 PolarHBondContact O-N 3.16Å
319R82.3Confident86.8Confident70 Ų7099.4 Ų99.426%0.26448%0.476SS..Hα-helixtrans-72.9-40.4178.1-75.2-173.3-160.8161.521.1113.3S182 D185 R315 D316 A317 K321 L322 R323S182-R319 PolarHBondContact OG-NH2 3.05Å; D185-R319 IonicContact OD2-CZ 3.83Å; D185-R319 IonicContact OD2-NH1 2.83Å; D185-R319 PolarHBondContact OD2-NH1 2.78Å; D185-R319 IonicContact OD2-NH2 3.47Å; D185-R319 PolarHBondContact OD2-NH2 3.05Å; R315-R319 WeakPolarHBondContact O-CG 3.25Å; R315-R319 PolarHBondContact O-N 3.38Å; D316-R319 PolarHBondContact O-N 2.72Å; A317-R319 VanDerWaalsContact C-N 3.32Å; A317-R319 PolarHBondContact O-N 2.91Å; R319-K321 VanDerWaalsContact C-N 3.29Å; R319-L322 PolarHBondContact O-N 3.14Å; R319-R323 WeakPolarHBondContact O-CB 3.43Å; R319-R323 PolarHBondContact O-N 3.43Å
320E84.4Confident86.4Confident119 Ų11998.7 Ų98.756%0.55648%0.475SS*.Hα-helixtrans-59.9-45.7175.4-175.4178.1-175.300109.9D316 L322 R323 A324D316-E320 WeakPolarHBondContact O-CB 3.26Å; D316-E320 PolarHBondContact O-N 3.17Å; E320-L322 PolarHBondContact O-N 2.93Å; E320-R323 PolarHBondContact O-N 3.47Å; E320-A324 WeakPolarHBondContact O-CB 3.44Å; E320-A324 PolarHBondContact O-N 3.35Å
321K87.5Confident86.2Confident151 Ų15196.8 Ų96.866%0.65747%0.471SS*.Hα-helixtrans-58.4-47173.5-175.4179.9177.1-177.60112.5A317 R319 R323 A324 E325A317-K321 WeakPolarHBondContact O-CB 3.06Å; A317-K321 PolarHBondContact O-N 3.13Å; R319-K321 VanDerWaalsContact C-N 3.29Å; K321-R323 VanDerWaalsContact C-N 3.32Å; K321-R323 PolarHBondContact O-N 3.36Å; K321-A324 PolarHBondContact O-N 2.56Å; K321-E325 WeakPolarHBondContact O-CB 3.28Å; K321-E325 PolarHBondContact O-N 2.84Å
322L82.6Confident86.1Confident91 Ų9195.7 Ų95.748%0.47647%0.472SS..Hα-helixtrans-63.2-39.2178.3-179.662.8000112E318 R319 E320 E325 Q326E318-L322 WeakPolarHBondContact O-CB 3.28Å; E318-L322 PolarHBondContact O-N 3.16Å; R319-L322 PolarHBondContact O-N 3.14Å; E320-L322 PolarHBondContact O-N 2.93Å; L322-E325 PolarHBondContact O-N 2.84Å; L322-Q326 WeakPolarHBondContact O-CG 3.38Å; L322-Q326 PolarHBondContact O-N 2.66Å
323R79.3Confident86.1Confident145 Ų14596 Ų9655%0.54747%0.474SS..Hα-helixtrans-65.6-47.4177.2-172.7-172.5-58.4-178.13110.9R319 E320 K321 E325 Q326 E327R319-R323 WeakPolarHBondContact O-CB 3.43Å; R319-R323 PolarHBondContact O-N 3.43Å; E320-R323 PolarHBondContact O-N 3.47Å; K321-R323 VanDerWaalsContact C-N 3.32Å; K321-R323 PolarHBondContact O-N 3.36Å; R323-E325 VanDerWaalsContact C-N 3.26Å; R323-E325 PolarHBondContact O-N 2.86Å; R323-Q326 PolarHBondContact O-N 2.8Å; R323-Q326 VanDerWaalsContact O-N 3.14Å; R323-E327 WeakPolarHBondContact CD-OE1 3.44Å; R323-E327 HydrophobicContact CG-CG 4.4Å; R323-E327 WeakPolarHBondContact CG-OE1 3.48Å; R323-E327 WeakPolarHBondContact O-CG 3.48Å; R323-E327 PolarHBondContact O-N 3.27Å
324A84.9Confident86.1Confident55 Ų5598.4 Ų98.446%0.45548%0.477SS..Hα-helixtrans-58.8-39.317600000111.6E320 K321 A328E320-A324 WeakPolarHBondContact O-CB 3.44Å; E320-A324 PolarHBondContact O-N 3.35Å; K321-A324 PolarHBondContact O-N 2.56Å; A324-A328 WeakPolarHBondContact O-CB 3.24Å; A324-A328 PolarHBondContact O-N 3.48Å
325E87.2Confident86.1Confident129 Ų129101.1 Ų101.160%0.60348%0.481SS*.Hα-helixtrans-65.7-41.8174.9-172.6-180164.300112.5K321 L322 R323 R329K321-E325 WeakPolarHBondContact O-CB 3.28Å; K321-E325 PolarHBondContact O-N 2.84Å; L322-E325 PolarHBondContact O-N 2.84Å; R323-E325 VanDerWaalsContact C-N 3.26Å; R323-E325 PolarHBondContact O-N 2.86Å; E325-R329 VanDerWaalsContact O-CB 3.3Å; E325-R329 WeakPolarHBondContact O-CB 3.43Å; E325-R329 PolarHBondContact O-N 3.35Å
326Q80.7Confident86.3Confident84 Ų84103.1 Ų103.139%0.39350%0.495SS..Hα-helixtrans-64.3-48176-74.7175.3-8.200111.9L322 R323 R329 E330L322-Q326 WeakPolarHBondContact O-CG 3.38Å; L322-Q326 PolarHBondContact O-N 2.66Å; R323-Q326 PolarHBondContact O-N 2.8Å; R323-Q326 VanDerWaalsContact O-N 3.14Å; Q326-R329 PolarHBondContact O-N 2.57Å; Q326-E330 WeakPolarHBondContact O-CG 3.43Å; Q326-E330 PolarHBondContact O-N 3.45Å
327E84Confident86.7Confident110 Ų110106 Ų10651%0.51451%0.507SS..Hα-helixtrans-63-44.4178.5-71.9173.5-172.800111.1R323 R329 E330 V331R323-E327 WeakPolarHBondContact CD-OE1 3.44Å; R323-E327 HydrophobicContact CG-CG 4.4Å; R323-E327 WeakPolarHBondContact CG-OE1 3.48Å; R323-E327 WeakPolarHBondContact O-CG 3.48Å; R323-E327 PolarHBondContact O-N 3.27Å; E327-R329 VanDerWaalsContact C-N 3.3Å; E327-R329 PolarHBondContact O-N 3.38Å; E327-E330 PolarHBondContact O-N 3.16Å; E327-V331 VanDerWaalsContact O-CG2 3.31Å; E327-V331 WeakPolarHBondContact O-CG2 3.35Å; E327-V331 PolarHBondContact O-N 3.32Å
328A87.6Confident86.8Confident49 Ų49106.3 Ų106.341%0.40550%0.501SS..Hα-helixtrans-59.7-40.8174.200000111.9A324 V331 M332A324-A328 WeakPolarHBondContact O-CB 3.24Å; A324-A328 PolarHBondContact O-N 3.48Å; A328-V331 PolarHBondContact O-N 2.97Å; A328-M332 WeakPolarHBondContact O-CB 3.41Å; A328-M332 WeakPolarHBondContact O-CG 3.23Å; A328-M332 PolarHBondContact O-N 2.88Å
329R85.2Confident86.9Confident153 Ų153105.8 Ų105.858%0.57750%0.5SS*.Hα-helixtrans-66.4-43.9176.9-176.5174.6175.9160.73112.5E325 Q326 E327 V331 M332 E333E325-R329 VanDerWaalsContact O-CB 3.3Å; E325-R329 WeakPolarHBondContact O-CB 3.43Å; E325-R329 PolarHBondContact O-N 3.35Å; Q326-R329 PolarHBondContact O-N 2.57Å; E327-R329 VanDerWaalsContact C-N 3.3Å; E327-R329 PolarHBondContact O-N 3.38Å; R329-V331 VanDerWaalsContact C-N 3.31Å; R329-V331 PolarHBondContact O-N 3.03Å; R329-M332 PolarHBondContact O-N 3.24Å; R329-E333 HydrophobicContact CG-CG 4.33Å; R329-E333 IonicContact CZ-OE1 3.17Å; R329-E333 IonicContact NE-OE1 3.91Å; R329-E333 PolarHBondContact NE-OE1 2.73Å; R329-E333 IonicContact NH2-OE1 3.43Å; R329-E333 PolarHBondContact NH2-OE1 3.5Å; R329-E333 WeakPolarHBondContact O-CB 3.09Å; R329-E333 WeakPolarHBondContact O-CG 2.97Å; R329-E333 PolarHBondContact O-N 3Å
330E85Confident87.4Confident134 Ų134108.1 Ų108.163%0.62651%0.514SS*.Hα-helixtrans-61.5-40.8176.2-74-180-177.100111.5Q326 E327 E333 K334Q326-E330 WeakPolarHBondContact O-CG 3.43Å; Q326-E330 PolarHBondContact O-N 3.45Å; E327-E330 PolarHBondContact O-N 3.16Å; E330-E333 PolarHBondContact O-N 3.47Å; E330-K334 WeakPolarHBondContact O-CB 3.47Å; E330-K334 PolarHBondContact O-N 3.41Å
331V89.9Confident87.8Confident72 Ų72108.8 Ų108.844%0.43651%0.511SS..Hα-helixtrans-63.8-44.8174.8171.40000111.2E327 A328 R329 K334 R335E327-V331 VanDerWaalsContact O-CG2 3.31Å; E327-V331 WeakPolarHBondContact O-CG2 3.35Å; E327-V331 PolarHBondContact O-N 3.32Å; A328-V331 PolarHBondContact O-N 2.97Å; R329-V331 VanDerWaalsContact C-N 3.31Å; R329-V331 PolarHBondContact O-N 3.03Å; V331-K334 PolarHBondContact O-N 3.01Å; V331-R335 VanDerWaalsContact O-CG 3.3Å; V331-R335 WeakPolarHBondContact O-CG 3.46Å; V331-R335 PolarHBondContact O-N 3.34Å
332M88.1Confident88Confident102 Ų102106.7 Ų106.750%0.50251%0.506SS..Hα-helixtrans-64.6-44.1176.9-74.9-173.2-69.500112.4A328 R329 K334 R335 L336A328-M332 WeakPolarHBondContact O-CB 3.41Å; A328-M332 WeakPolarHBondContact O-CG 3.23Å; A328-M332 PolarHBondContact O-N 2.88Å; R329-M332 PolarHBondContact O-N 3.24Å; M332-K334 VanDerWaalsContact C-N 3.32Å; M332-K334 PolarHBondContact O-N 3.25Å; M332-R335 PolarHBondContact O-N 2.59Å; M332-L336 WeakPolarHBondContact O-CG 3.38Å; M332-L336 PolarHBondContact O-N 2.99Å
333E88.2Confident88.3Confident86 Ų86108 Ų10840%0.40251%0.511SS..Hα-helixtrans-61.9-41.3177.4-76.1179.3-172.300111.1R329 E330 L336 Q337R329-E333 HydrophobicContact CG-CG 4.33Å; R329-E333 IonicContact CZ-OE1 3.17Å; R329-E333 IonicContact NE-OE1 3.91Å; R329-E333 PolarHBondContact NE-OE1 2.73Å; R329-E333 IonicContact NH2-OE1 3.43Å; R329-E333 PolarHBondContact NH2-OE1 3.5Å; R329-E333 WeakPolarHBondContact O-CB 3.09Å; R329-E333 WeakPolarHBondContact O-CG 2.97Å; R329-E333 PolarHBondContact O-N 3Å; E330-E333 PolarHBondContact O-N 3.47Å; E333-L336 PolarHBondContact O-N 2.7Å; E333-Q337 VanDerWaalsContact O-CG 3.32Å; E333-Q337 WeakPolarHBondContact O-CG 3.19Å; E333-Q337 PolarHBondContact O-N 3.03Å
334K90.7Very high88.9Confident132 Ų132106.3 Ų106.357%0.57451%0.51SS*.Hα-helixtrans-63.4-45.2173.4-172.5179.6178.2-175.30112.1E330 V331 M332 L336 Q337 D338E330-K334 WeakPolarHBondContact O-CB 3.47Å; E330-K334 PolarHBondContact O-N 3.41Å; V331-K334 PolarHBondContact O-N 3.01Å; M332-K334 VanDerWaalsContact C-N 3.32Å; M332-K334 PolarHBondContact O-N 3.25Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-L336 PolarHBondContact O-N 3.24Å; K334-Q337 WeakPolarHBondContact O-CB 3.24Å; K334-Q337 PolarHBondContact O-N 3.45Å; K334-D338 PolarHBondContact O-N 2.92Å
335R91Very high89.3Confident155 Ų155108.5 Ų108.559%0.58551%0.511SS*.Hα-helixtrans-59-43175.9-75.5175.3-175.5-178.82.1112V331 M332 D338 M339V331-R335 VanDerWaalsContact O-CG 3.3Å; V331-R335 WeakPolarHBondContact O-CG 3.46Å; V331-R335 PolarHBondContact O-N 3.34Å; M332-R335 PolarHBondContact O-N 2.59Å; R335-D338 PolarHBondContact O-N 3.01Å; R335-M339 WeakPolarHBondContact O-CB 3.22Å; R335-M339 PolarHBondContact O-N 3.21Å
336L92.5Very high89.3Confident96 Ų96105.1 Ų105.150%0.50350%0.497SS..Hα-helixtrans-63.7-41.4176.2-73.2173.8000111.8M332 E333 K334 M339 Q340M332-L336 WeakPolarHBondContact O-CG 3.38Å; M332-L336 PolarHBondContact O-N 2.99Å; E333-L336 PolarHBondContact O-N 2.7Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-L336 PolarHBondContact O-N 3.24Å; L336-M339 HydrophobicContact CD2-CE 3.94Å; L336-M339 PolarHBondContact O-N 3.29Å; L336-Q340 WeakPolarHBondContact O-CB 3.46Å; L336-Q340 VanDerWaalsContact O-CG 3.28Å; L336-Q340 WeakPolarHBondContact O-CG 3.44Å; L336-Q340 PolarHBondContact O-N 2.78Å
337Q93Very high89.7Confident113 Ų113107.3 Ų107.353%0.52851%0.507SS..Hα-helixtrans-64.4-42.2175.4-73.3173.98.100112.3E333 K334 Q340 R341E333-Q337 VanDerWaalsContact O-CG 3.32Å; E333-Q337 WeakPolarHBondContact O-CG 3.19Å; E333-Q337 PolarHBondContact O-N 3.03Å; K334-Q337 WeakPolarHBondContact O-CB 3.24Å; K334-Q337 PolarHBondContact O-N 3.45Å; Q337-Q340 PolarHBondContact O-N 3.38Å; Q337-R341 WeakPolarHBondContact O-CB 3.42Å; Q337-R341 PolarHBondContact O-N 2.92Å
338D91.8Very high90.2Very high60 Ų60106.2 Ų106.232%0.32150%0.502SS..Hα-helixtrans-66.3-41.6177.8-69.6-21.7000110.6K334 R335 R341 L342K334-D338 PolarHBondContact O-N 2.92Å; R335-D338 PolarHBondContact O-N 3.01Å; D338-R341 PolarHBondContact O-N 2.9Å; D338-R341 IonicContact OD1-NH2 3.45Å; D338-L342 WeakPolarHBondContact O-CG 3.36Å; D338-L342 PolarHBondContact O-N 3.42Å
339M89.8Confident90.3Very high115 Ų115105.4 Ų105.457%0.56750%0.495SS*.Hα-helixtrans-64.1-42174.4-173.3176.272.200112.4R335 L336 R341 L342 M343R335-M339 WeakPolarHBondContact O-CB 3.22Å; R335-M339 PolarHBondContact O-N 3.21Å; L336-M339 HydrophobicContact CD2-CE 3.94Å; L336-M339 PolarHBondContact O-N 3.29Å; M339-R341 VanDerWaalsContact C-N 3.32Å; M339-R341 PolarHBondContact O-N 3.48Å; M339-L342 PolarHBondContact O-N 2.92Å; M339-M343 WeakPolarHBondContact O-CB 3.13Å; M339-M343 PolarHBondContact O-N 3.43Å
340Q91.4Very high90.5Very high120 Ų120101.5 Ų101.556%0.56148%0.483SS*.Hα-helixtrans-61.6-41.6174.4-79.1176.8-9.100111.7L336 Q337 M343 Q344L336-Q340 WeakPolarHBondContact O-CB 3.46Å; L336-Q340 VanDerWaalsContact O-CG 3.28Å; L336-Q340 WeakPolarHBondContact O-CG 3.44Å; L336-Q340 PolarHBondContact O-N 2.78Å; Q337-Q340 PolarHBondContact O-N 3.38Å; Q340-M343 PolarHBondContact O-N 3.4Å; Q340-Q344 PolarHBondContact O-N 3.27Å
341R93Very high90.9Very high133 Ų13397.4 Ų97.450%0.50247%0.472SS..Hα-helixtrans-63.6-47.7176.8-169.7-174.5-50.416914.1111.5Q337 D338 M339 M343 Q344 E345Q337-R341 WeakPolarHBondContact O-CB 3.42Å; Q337-R341 PolarHBondContact O-N 2.92Å; D338-R341 PolarHBondContact O-N 2.9Å; D338-R341 IonicContact OD1-NH2 3.45Å; M339-R341 VanDerWaalsContact C-N 3.32Å; M339-R341 PolarHBondContact O-N 3.48Å; R341-M343 VanDerWaalsContact C-N 3.31Å; R341-M343 PolarHBondContact O-N 3.35Å; R341-Q344 PolarHBondContact O-N 2.85Å; R341-E345 WeakPolarHBondContact O-CG 3.5Å; R341-E345 PolarHBondContact O-N 2.89Å
342L92.1Very high91Very high106 Ų106100.8 Ų100.856%0.55548%0.476SS*.Hα-helixtrans-59.7-41.9176.5-74.2170.1000111.8D338 M339 Q344 E345 N346D338-L342 WeakPolarHBondContact O-CG 3.36Å; D338-L342 PolarHBondContact O-N 3.42Å; M339-L342 PolarHBondContact O-N 2.92Å; L342-Q344 PolarHBondContact O-N 3.22Å; L342-E345 PolarHBondContact O-N 3.33Å; L342-N346 WeakPolarHBondContact O-CB 3.2Å; L342-N346 PolarHBondContact O-N 2.84Å
343M89.5Confident91.2Very high119 Ų11997.4 Ų97.459%0.58646%0.462SS*.Hα-helixtrans-62.3-42.7176.4-171.4-179.172.400111.8M339 Q340 R341 N346 E347M339-M343 WeakPolarHBondContact O-CB 3.13Å; M339-M343 PolarHBondContact O-N 3.43Å; Q340-M343 PolarHBondContact O-N 3.4Å; R341-M343 VanDerWaalsContact C-N 3.31Å; R341-M343 PolarHBondContact O-N 3.35Å; M343-N346 PolarHBondContact O-N 2.88Å; M343-E347 WeakPolarHBondContact O-CB 3.4Å; M343-E347 PolarHBondContact O-N 3.16Å
344Q92.2Very high91.3Very high109 Ų10997.5 Ų97.551%0.50946%0.462SS..Hα-helixtrans-66-45.4176.4-174.9-176.8-1500111.8Q340 R341 L342 N346 E347 E348Q340-Q344 PolarHBondContact O-N 3.27Å; R341-Q344 PolarHBondContact O-N 2.85Å; L342-Q344 PolarHBondContact O-N 3.22Å; Q344-N346 PolarHBondContact O-N 3.48Å; Q344-E347 PolarHBondContact O-N 2.98Å; Q344-E348 PolarHBondContact NE2-OE1 3.42Å; Q344-E348 WeakPolarHBondContact O-CB 3.37Å; Q344-E348 WeakPolarHBondContact O-CG 3.41Å; Q344-E348 PolarHBondContact O-N 3.45Å
345E91.5Very high91.4Very high102 Ų10294.4 Ų94.448%0.47745%0.454SS..Hα-helixtrans-59.3-38.5177-74.9174.4-175.700111.5R341 L342 A349R341-E345 WeakPolarHBondContact O-CG 3.5Å; R341-E345 PolarHBondContact O-N 2.89Å; L342-E345 PolarHBondContact O-N 3.33Å; E345-A349 WeakPolarHBondContact O-CB 3.5Å; E345-A349 PolarHBondContact O-N 3.46Å
346N88.9Confident91.5Very high57 Ų5789.5 Ų89.531%0.30544%0.442SS..Hα-helixtrans-70-42.9175.8-170.860.1000112.7L342 M343 Q344 E348 A349 F350 Y451L342-N346 WeakPolarHBondContact O-CB 3.2Å; L342-N346 PolarHBondContact O-N 2.84Å; M343-N346 PolarHBondContact O-N 2.88Å; Q344-N346 PolarHBondContact O-N 3.48Å; N346-E348 VanDerWaalsContact C-N 3.32Å; N346-E348 PolarHBondContact O-N 2.86Å; N346-A349 PolarHBondContact O-N 3.18Å; N346-F350 WeakPolarHBondContact O-CB 3.33Å; N346-F350 PolarHBondContact O-N 3.28Å; N346-Y451 HydrophobicContact CB-CE2 4.09Å; N346-Y451 WeakPolarHBondContact CB-OH 3.42Å; N346-Y451 VanDerWaalsContact CG-OH 3.3Å; N346-Y451 WeakPolarHBondContact ND2-CE2 3.39Å; N346-Y451 PolarHBondContact ND2-OH 2.94Å; N346-Y451 WeakPolarHBondContact OD1-CE2 3.33Å
347E89.1Confident91.6Very high131 Ų13185.9 Ų85.961%0.61242%0.423SS*.Hα-helixtrans-61-41.8175.1-174.2176.3-175.400111.3M343 Q344 F350 A351M343-E347 WeakPolarHBondContact O-CB 3.4Å; M343-E347 PolarHBondContact O-N 3.16Å; Q344-E347 PolarHBondContact O-N 2.98Å; E347-F350 PolarHBondContact O-N 3.35Å; E347-A351 WeakPolarHBondContact O-CB 3.33Å; E347-A351 PolarHBondContact O-N 3.27Å
348E93.2Very high91.6Very high87 Ų8785.6 Ų85.641%0.40742%0.421SS..Hα-helixtrans-66.1-39.9174.6-71.8178.2-166.200112.3Q344 N346 A351 R352Q344-E348 PolarHBondContact NE2-OE1 3.42Å; Q344-E348 WeakPolarHBondContact O-CB 3.37Å; Q344-E348 WeakPolarHBondContact O-CG 3.41Å; Q344-E348 PolarHBondContact O-N 3.45Å; N346-E348 VanDerWaalsContact C-N 3.32Å; N346-E348 PolarHBondContact O-N 2.86Å; E348-A351 PolarHBondContact O-N 3.42Å; E348-R352 VanDerWaalsContact O-CG 3.3Å; E348-R352 WeakPolarHBondContact O-CG 3.47Å; E348-R352 PolarHBondContact O-N 2.88Å; E348-R352 IonicContact OE2-NH1 3Å
349A90.7Very high91.7Very high32 Ų3288.7 Ų88.726%0.26443%0.434SS..Hα-helixtrans-63-44.8174.700000111.5E345 N346 R352 T353E345-A349 WeakPolarHBondContact O-CB 3.5Å; E345-A349 PolarHBondContact O-N 3.46Å; N346-A349 PolarHBondContact O-N 3.18Å; A349-R352 WeakPolarHBondContact O-CB 3.3Å; A349-R352 PolarHBondContact O-N 2.76Å; A349-T353 PolarHBondContact O-N 3Å; A349-T353 PolarHBondContact O-OG1 2.62Å; A349-T353 VanDerWaalsContact O-OG1 3.13Å
350F89.9Confident91.9Very high71 Ų7186.1 Ų86.131%0.31142%0.418SS..Hα-helixtrans-59.6-48.7175.5-179.1-92.3000111.5N346 E347 R352 T353 Q354 H444 M448N346-F350 WeakPolarHBondContact O-CB 3.33Å; N346-F350 PolarHBondContact O-N 3.28Å; E347-F350 PolarHBondContact O-N 3.35Å; F350-R352 VanDerWaalsContact C-N 3.31Å; F350-R352 PolarHBondContact O-N 3.36Å; F350-T353 PolarHBondContact O-N 2.97Å; F350-Q354 WeakPolarHBondContact O-CB 3.49Å; F350-Q354 PolarHBondContact O-N 3.13Å; F350-H444 AromaticContact CD2-NE2 3.34Å; F350-H444 VanDerWaalsContact CD2-NE2 3.34Å; F350-H444 WeakPolarHBondContact CD2-NE2 3.47Å; F350-H444 AromaticContact CE2-CE1 3.51Å; F350-H444 AromaticContact CE2-NE2 3.1Å; F350-H444 WeakPolarHBondContact CE2-NE2 3.29Å; F350-H444 AromaticContact CZ-NE2 4Å; F350-M448 HydrophobicContact CD2-SD 3.86Å; F350-M448 HydrophobicContact CE2-CE 4.31Å; F350-M448 HydrophobicContact CE2-SD 3.74Å
351A92Very high92Very high48 Ų4883.9 Ų83.940%0.39741%0.408SS..Hα-helixtrans-60.8-39177.800000112.5E347 E348 T355E347-A351 WeakPolarHBondContact O-CB 3.33Å; E347-A351 PolarHBondContact O-N 3.27Å; E348-A351 PolarHBondContact O-N 3.42Å; A351-T355 WeakPolarHBondContact O-CB 3.47Å; A351-T355 PolarHBondContact O-N 3.11Å; A351-T355 PolarHBondContact O-OG1 2.92Å
352R91.9Very high92.1Very high142 Ų14281.7 Ų81.754%0.53641%0.412SS..Hα-helixtrans-61.7-48.8173.8-75.8-175.1-64.6-103.82.8111.2E348 A349 F350 Q354 T355 V356E348-R352 VanDerWaalsContact O-CG 3.3Å; E348-R352 WeakPolarHBondContact O-CG 3.47Å; E348-R352 PolarHBondContact O-N 2.88Å; E348-R352 IonicContact OE2-NH1 3Å; A349-R352 WeakPolarHBondContact O-CB 3.3Å; A349-R352 PolarHBondContact O-N 2.76Å; F350-R352 VanDerWaalsContact C-N 3.31Å; F350-R352 PolarHBondContact O-N 3.36Å; R352-Q354 VanDerWaalsContact C-N 3.35Å; R352-Q354 PolarHBondContact O-N 3.2Å; R352-T355 PolarHBondContact O-N 3.35Å; R352-V356 WeakPolarHBondContact O-CG2 3.43Å; R352-V356 PolarHBondContact O-N 3.43Å; R352-V356 VanDerWaalsContact O-N 3.07Å
353T91.9Very high92.2Very high32 Ų3279.3 Ų79.320%0.19640%0.397CS..Hα-helixtrans-64.1-41.6179.7-55.40000111.3A349 F350 T355 V356 L357 V440 H444A349-T353 PolarHBondContact O-N 3Å; A349-T353 PolarHBondContact O-OG1 2.62Å; A349-T353 VanDerWaalsContact O-OG1 3.13Å; F350-T353 PolarHBondContact O-N 2.97Å; T353-T355 PolarHBondContact O-N 2.81Å; T353-V356 PolarHBondContact O-N 2.92Å; T353-L357 HydrophobicContact CG2-CD1 4.49Å; T353-L357 WeakPolarHBondContact O-CG 3.22Å; T353-L357 PolarHBondContact O-N 2.96Å; T353-V440 HydrophobicContact CG2-CG1 4.14Å; T353-H444 HydrophobicContact CG2-CB 3.89Å; T353-H444 VanDerWaalsContact CG2-CD2 3.43Å; T353-H444 WeakPolarHBondContact CG2-CD2 3.36Å
354Q90.9Very high92.4Very high87 Ų8774.1 Ų74.141%0.40737%0.372SS..Hα-helixtrans-62.3-42.2176.3-173.2150.638.900112.3F350 R352 V356 L357 E358F350-Q354 WeakPolarHBondContact O-CB 3.49Å; F350-Q354 PolarHBondContact O-N 3.13Å; R352-Q354 VanDerWaalsContact C-N 3.35Å; R352-Q354 PolarHBondContact O-N 3.2Å; Q354-V356 VanDerWaalsContact C-N 3.31Å; Q354-V356 PolarHBondContact O-N 3.22Å; Q354-L357 PolarHBondContact O-N 3.02Å; Q354-E358 WeakPolarHBondContact O-CG 3.31Å; Q354-E358 PolarHBondContact O-N 2.87Å
355T93.5Very high92.5Very high67 Ų6773.9 Ų73.941%0.41137%0.374SS..Hα-helixtrans-60.2-41.8174.7-56.40000111.7A351 R352 T353 E358 Q359A351-T355 WeakPolarHBondContact O-CB 3.47Å; A351-T355 PolarHBondContact O-N 3.11Å; A351-T355 PolarHBondContact O-OG1 2.92Å; R352-T355 PolarHBondContact O-N 3.35Å; T353-T355 PolarHBondContact O-N 2.81Å; T355-E358 PolarHBondContact O-N 3.4Å; T355-Q359 VanDerWaalsContact O-CG 3.3Å; T355-Q359 WeakPolarHBondContact O-CG 3.44Å; T355-Q359 PolarHBondContact O-N 3.3Å
356V93.4Very high92.6Very high53 Ų5373.5 Ų73.532%0.32137%0.372SS..Hα-helixtrans-66.5-41.5178.3170.70000111R352 T353 Q354 Q359 Y360 V440R352-V356 WeakPolarHBondContact O-CG2 3.43Å; R352-V356 PolarHBondContact O-N 3.43Å; R352-V356 VanDerWaalsContact O-N 3.07Å; T353-V356 PolarHBondContact O-N 2.92Å; Q354-V356 VanDerWaalsContact C-N 3.31Å; Q354-V356 PolarHBondContact O-N 3.22Å; V356-Q359 PolarHBondContact O-N 2.95Å; V356-Y360 HydrophobicContact CG1-CD2 3.64Å; V356-Y360 HydrophobicContact CG1-CE2 3.39Å; V356-Y360 WeakPolarHBondContact O-CD2 3.47Å; V356-Y360 PolarHBondContact O-N 3.22Å; V356-V440 HydrophobicContact CG1-CG1 4.44Å
357L93.1Very high92.8Very high20 Ų2070.8 Ų70.811%0.10536%0.358CS..Hα-helixtrans-59.7-47.2174.8-72.7176.2000111.7T353 Q354 Q359 Y360 E361 L437 V440 R441T353-L357 HydrophobicContact CG2-CD1 4.49Å; T353-L357 WeakPolarHBondContact O-CG 3.22Å; T353-L357 PolarHBondContact O-N 2.96Å; Q354-L357 PolarHBondContact O-N 3.02Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 3.14Å; L357-Y360 PolarHBondContact O-N 3.15Å; L357-E361 WeakPolarHBondContact O-CG 3.33Å; L357-E361 PolarHBondContact O-N 3.16Å; L357-L437 HydrophobicContact CD2-CD1 3.75Å; L357-V440 HydrophobicContact CD2-CB 4Å; L357-V440 HydrophobicContact CD2-CG1 3.67Å; L357-V440 HydrophobicContact CG-CG1 4.15Å; L357-R441 HydrophobicContact CD1-CG 4.28Å; L357-R441 HydrophobicContact CD2-CB 4.35Å; L357-R441 HydrophobicContact CD2-CG 3.44Å; L357-R441 VanDerWaalsContact CD2-CG 3.44Å
358E93.7Very high93Very high107 Ų10767.2 Ų67.250%0.534%0.343SS..Hα-helixtrans-60.2-41.1176.9-72.8175.4-177.200112.1Q354 T355 E361 C362Q354-E358 WeakPolarHBondContact O-CG 3.31Å; Q354-E358 PolarHBondContact O-N 2.87Å; T355-E358 PolarHBondContact O-N 3.4Å; E358-E361 PolarHBondContact O-N 3.24Å; E358-C362 WeakPolarHBondContact O-CB 3.43Å; E358-C362 PolarHBondContact O-N 3.45Å; E358-C362 PolarHBondContact O-SG 3.23Å
359Q93.9Very high93Very high125 Ų12565.7 Ų65.758%0.58435%0.345SS*.Hα-helixtrans-61.4-45.2176.2-74.8174.15.100112.1T355 V356 L357 C362 K363T355-Q359 VanDerWaalsContact O-CG 3.3Å; T355-Q359 WeakPolarHBondContact O-CG 3.44Å; T355-Q359 PolarHBondContact O-N 3.3Å; V356-Q359 PolarHBondContact O-N 2.95Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 3.14Å; Q359-C362 PolarHBondContact O-N 2.84Å; Q359-K363 WeakPolarHBondContact O-CB 3.37Å; Q359-K363 PolarHBondContact O-N 3.46Å
360Y93.3Very high93.1Very high61 Ų6166.5 Ų66.524%0.23934%0.343CS..Hα-helixtrans-66.5-40.7177.2-78.4-54.9000112.2V356 L357 K363 V364 F433 E436 V440V356-Y360 HydrophobicContact CG1-CD2 3.64Å; V356-Y360 HydrophobicContact CG1-CE2 3.39Å; V356-Y360 WeakPolarHBondContact O-CD2 3.47Å; V356-Y360 PolarHBondContact O-N 3.22Å; L357-Y360 PolarHBondContact O-N 3.15Å; Y360-K363 PolarHBondContact O-N 3.28Å; Y360-V364 WeakPolarHBondContact O-CG2 3.41Å; Y360-V364 PolarHBondContact O-N 3.23Å; Y360-F433 AromaticContact CD1-CD1 3.63Å; Y360-F433 HydrophobicContact CD1-CD1 3.63Å; Y360-F433 HydrophobicContact CD1-CE1 4.14Å; Y360-F433 AromaticContact CE1-CD1 3.68Å; Y360-F433 HydrophobicContact CE1-CD1 3.68Å; Y360-F433 AromaticContact CE1-CE1 3.89Å; Y360-F433 HydrophobicContact CE1-CE1 3.89Å; Y360-E436 HydrophobicContact CE1-CG 4.19Å; Y360-E436 HydrophobicContact CE2-CG 4.19Å; Y360-V440 HydrophobicContact CE2-CG2 4.22Å
361E94Very high93.2Very high72 Ų7263.5 Ų63.534%0.33633%0.33SS..Hα-helixtrans-61-46.8174.3-75.2177.7-172.400112L357 E358 K363 V364 N365 L437 R441L357-E361 WeakPolarHBondContact O-CG 3.33Å; L357-E361 PolarHBondContact O-N 3.16Å; E358-E361 PolarHBondContact O-N 3.24Å; E361-K363 VanDerWaalsContact C-N 3.3Å; E361-K363 PolarHBondContact O-N 3.13Å; E361-V364 PolarHBondContact O-N 3.47Å; E361-N365 WeakPolarHBondContact O-CB 3.39Å; E361-N365 PolarHBondContact O-N 3.27Å; E361-N365 PolarHBondContact O-ND2 3.47Å; E361-L437 HydrophobicContact CG-CD1 3.98Å; E361-L437 HydrophobicContact CG-CD2 3.91Å; E361-R441 IonicContact OE1-CZ 3.29Å; E361-R441 IonicContact OE1-NE 2.9Å; E361-R441 IonicContact OE1-NH2 2.79Å; E361-R441 PolarHBondContact OE1-NH2 3.24Å
362C95.5Very high93.2Very high87 Ų8765.6 Ų65.659%0.58833%0.332SS*.Hα-helixtrans-57.9-43.1173.7-78.90000111.4E358 Q359 N365 E366E358-C362 WeakPolarHBondContact O-CB 3.43Å; E358-C362 PolarHBondContact O-N 3.45Å; E358-C362 PolarHBondContact O-SG 3.23Å; Q359-C362 PolarHBondContact O-N 2.84Å; C362-N365 PolarHBondContact O-N 2.96Å; C362-E366 WeakPolarHBondContact O-CB 3.45Å; C362-E366 PolarHBondContact O-N 3.21Å
363K94.4Very high93.3Very high57 Ų5765.1 Ų65.125%0.24834%0.336CS..Hα-helixtrans-66.7-42.3179.9-17360.7-174.3171.50112.5Q359 Y360 E361 N365 E366 L367 F433Q359-K363 WeakPolarHBondContact O-CB 3.37Å; Q359-K363 PolarHBondContact O-N 3.46Å; Y360-K363 PolarHBondContact O-N 3.28Å; E361-K363 VanDerWaalsContact C-N 3.3Å; E361-K363 PolarHBondContact O-N 3.13Å; K363-N365 VanDerWaalsContact C-N 3.32Å; K363-N365 PolarHBondContact O-N 2.65Å; K363-E366 WeakPolarHBondContact CD-OE2 3.42Å; K363-E366 IonicContact NZ-OE2 3.1Å; K363-E366 PolarHBondContact NZ-OE2 3.09Å; K363-E366 PolarHBondContact O-N 3.31Å; K363-L367 HydrophobicContact CG-CD1 4.26Å; K363-L367 WeakPolarHBondContact O-CG 3.33Å; K363-L367 PolarHBondContact O-N 2.82Å; K363-F433 HydrophobicContact CG-CD1 4.16Å; K363-F433 HydrophobicContact CG-CD2 4.11Å; K363-F433 HydrophobicContact CG-CE1 4.09Å; K363-F433 HydrophobicContact CG-CE2 4.06Å; K363-F433 HydrophobicContact CG-CG 4.15Å; K363-F433 HydrophobicContact CG-CZ 4.05Å
364V94.1Very high93.2Very high10 Ų1065.2 Ų65.26%0.06133%0.334CS..Hα-helixtrans-62.3-41.4174.7169.50000110.7Y360 E361 L367 N368 F433 E434 L437Y360-V364 WeakPolarHBondContact O-CG2 3.41Å; Y360-V364 PolarHBondContact O-N 3.23Å; E361-V364 PolarHBondContact O-N 3.47Å; V364-L367 PolarHBondContact O-N 2.9Å; V364-N368 WeakPolarHBondContact O-CB 3.4Å; V364-N368 VanDerWaalsContact O-CG 3.3Å; V364-N368 PolarHBondContact O-N 3.37Å; V364-N368 PolarHBondContact O-ND2 2.9Å; V364-N368 VanDerWaalsContact O-ND2 3.09Å; V364-F433 HydrophobicContact CG2-CB 3.93Å; V364-E434 HydrophobicContact CG1-CG 3.81Å; V364-E434 HydrophobicContact CG2-CG 3.89Å; V364-L437 HydrophobicContact CG2-CD2 4.4Å
365N93.8Very high93.3Very high103 Ų10364.3 Ų64.355%0.55133%0.329SS*.Hα-helixtrans-65.1-40.9176.3-71.8-26.8000112.6E361 C362 K363 N368 A369E361-N365 WeakPolarHBondContact O-CB 3.39Å; E361-N365 PolarHBondContact O-N 3.27Å; E361-N365 PolarHBondContact O-ND2 3.47Å; C362-N365 PolarHBondContact O-N 2.96Å; K363-N365 VanDerWaalsContact C-N 3.32Å; K363-N365 PolarHBondContact O-N 2.65Å; N365-N368 WeakPolarHBondContact O-CB 3.23Å; N365-N368 PolarHBondContact O-N 3.36Å; N365-A369 PolarHBondContact O-N 3.14Å
366E94.2Very high93.3Very high94 Ų9464.1 Ų64.144%0.43933%0.326SS..Hα-helixtrans-61.4-48.8174.2-173.9-169.7-162.200111.2C362 K363 N368 A369 Q370C362-E366 WeakPolarHBondContact O-CB 3.45Å; C362-E366 PolarHBondContact O-N 3.21Å; K363-E366 WeakPolarHBondContact CD-OE2 3.42Å; K363-E366 IonicContact NZ-OE2 3.1Å; K363-E366 PolarHBondContact NZ-OE2 3.09Å; K363-E366 PolarHBondContact O-N 3.31Å; E366-N368 VanDerWaalsContact C-N 3.28Å; E366-N368 PolarHBondContact O-N 3.26Å; E366-A369 PolarHBondContact O-N 3.24Å; E366-Q370 WeakPolarHBondContact O-CB 3.39Å; E366-Q370 WeakPolarHBondContact O-CG 3.48Å; E366-Q370 PolarHBondContact O-N 3.08Å; E366-Q370 PolarHBondContact OE1-NE2 2.94Å
367L93.2Very high93.2Very high1 Ų163 Ų631%0.00532%0.322CS..Hα-helixtrans-62.5-36.1177.7-72.6171.1000111.9K363 V364 L371 E429 K430 F433K363-L367 HydrophobicContact CG-CD1 4.26Å; K363-L367 WeakPolarHBondContact O-CG 3.33Å; K363-L367 PolarHBondContact O-N 2.82Å; V364-L367 PolarHBondContact O-N 2.9Å; L367-L371 WeakPolarHBondContact O-CB 3.4Å; L367-L371 PolarHBondContact O-N 3.45Å; L367-E429 HydrophobicContact CD1-CG 4.06Å; L367-E429 HydrophobicContact CD2-CG 4.39Å; L367-K430 HydrophobicContact CB-CB 4.25Å; L367-K430 HydrophobicContact CD1-CB 4.29Å; L367-F433 HydrophobicContact CD1-CD2 3.61Å; L367-F433 HydrophobicContact CD1-CE2 4.23Å; L367-F433 HydrophobicContact CD1-CG 4.41Å
368N92.6Very high93.1Very high56 Ų5666.1 Ų66.130%0.29933%0.332SS..Hα-helixtrans-62.4-44.8173.2-82.5-40.9000112.5V364 N365 E366 L371 E372 K430V364-N368 WeakPolarHBondContact O-CB 3.4Å; V364-N368 VanDerWaalsContact O-CG 3.3Å; V364-N368 PolarHBondContact O-N 3.37Å; V364-N368 PolarHBondContact O-ND2 2.9Å; V364-N368 VanDerWaalsContact O-ND2 3.09Å; N365-N368 WeakPolarHBondContact O-CB 3.23Å; N365-N368 PolarHBondContact O-N 3.36Å; E366-N368 VanDerWaalsContact C-N 3.28Å; E366-N368 PolarHBondContact O-N 3.26Å; N368-L371 PolarHBondContact O-N 3.24Å; N368-E372 PolarHBondContact O-N 3.23Å; N368-K430 WeakPolarHBondContact OD1-CD 3.48Å; N368-K430 WeakPolarHBondContact OD1-CE 3.24Å; N368-K430 PolarHBondContact OD1-NZ 3.44Å
369A93.8Very high93Very high54 Ų5466.4 Ų66.445%0.44633%0.332SS..Hα-helixtrans-64.2-46.4177.400000111.3N365 E366 L371 E372 E373N365-A369 PolarHBondContact O-N 3.14Å; E366-A369 PolarHBondContact O-N 3.24Å; A369-L371 VanDerWaalsContact C-N 3.35Å; A369-L371 PolarHBondContact O-N 3.13Å; A369-E372 PolarHBondContact O-N 3Å; A369-E373 PolarHBondContact O-N 3.43Å
370Q91.4Very high92.9Very high49 Ų4966.9 Ų66.923%0.22933%0.334CS..Hα-helixtrans-59.9-43175.6-76.3-177.411.700112.2E366 E372 E373 E374 R426E366-Q370 WeakPolarHBondContact O-CB 3.39Å; E366-Q370 WeakPolarHBondContact O-CG 3.48Å; E366-Q370 PolarHBondContact O-N 3.08Å; E366-Q370 PolarHBondContact OE1-NE2 2.94Å; Q370-E372 VanDerWaalsContact C-N 3.29Å; Q370-E372 PolarHBondContact O-N 3.11Å; Q370-E373 PolarHBondContact O-N 2.66Å; Q370-E374 VanDerWaalsContact O-CG 3.3Å; Q370-E374 WeakPolarHBondContact O-CG 3.25Å; Q370-E374 PolarHBondContact O-N 3.44Å; Q370-R426 PolarHBondContact O-NH1 3.05Å
371L92.8Very high92.8Very high8 Ų865.5 Ų65.54%0.04233%0.331CS..Hα-helixtrans-63.7-37.2177.8-173.171.6000111.5L367 N368 A369 K375 L423 R426 E427L367-L371 WeakPolarHBondContact O-CB 3.4Å; L367-L371 PolarHBondContact O-N 3.45Å; N368-L371 PolarHBondContact O-N 3.24Å; A369-L371 VanDerWaalsContact C-N 3.35Å; A369-L371 PolarHBondContact O-N 3.13Å; L371-K375 HydrophobicContact CG-CD 4.29Å; L371-K375 WeakPolarHBondContact O-CB 2.87Å; L371-K375 WeakPolarHBondContact O-CG 3.48Å; L371-K375 PolarHBondContact O-N 3.06Å; L371-L423 HydrophobicContact CD1-CD2 3.53Å; L371-L423 HydrophobicContact CG-CD2 4.42Å; L371-R426 HydrophobicContact CD1-CB 4.25Å; L371-E427 HydrophobicContact CD1-CG 3.48Å; L371-E427 VanDerWaalsContact CD1-CG 3.48Å; L371-E427 HydrophobicContact CD2-CG 3.77Å; L371-E427 HydrophobicContact CG-CG 4.28Å
372E92.8Very high92.6Very high92 Ų9265.3 Ų65.343%0.4333%0.33SS..Hα-helixtrans-69.4-39.5176.5-170.457-15000112.1N368 A369 Q370 K375 N376N368-E372 PolarHBondContact O-N 3.23Å; A369-E372 PolarHBondContact O-N 3Å; Q370-E372 VanDerWaalsContact C-N 3.29Å; Q370-E372 PolarHBondContact O-N 3.11Å; E372-K375 PolarHBondContact O-N 3.26Å; E372-N376 WeakPolarHBondContact O-CB 3.43Å; E372-N376 VanDerWaalsContact O-CG 3.26Å; E372-N376 PolarHBondContact O-N 3.19Å; E372-N376 PolarHBondContact O-ND2 3.24Å; E372-N376 PolarHBondContact OE1-ND2 2.7Å
373E92.5Very high92.4Very high133 Ų13364.8 Ų64.862%0.62133%0.327SS*.Hα-helixtrans-60-47.3172.7-73.9179.5-178.600111.7A369 Q370 K375 N376 A377A369-E373 PolarHBondContact O-N 3.43Å; Q370-E373 PolarHBondContact O-N 2.66Å; E373-K375 PolarHBondContact O-N 2.9Å; E373-N376 PolarHBondContact O-N 3.26Å; E373-A377 WeakPolarHBondContact O-CB 3.42Å; E373-A377 PolarHBondContact O-N 3.03Å
374E91.4Very high92.2Very high33 Ų3365.7 Ų65.715%0.15433%0.334CS..Hα-helixtrans-65.3-38.5177.4-65.3-62.4162.400112.3Q370 N376 A377 R378 Q419 L422 L423 R426Q370-E374 VanDerWaalsContact O-CG 3.3Å; Q370-E374 WeakPolarHBondContact O-CG 3.25Å; Q370-E374 PolarHBondContact O-N 3.44Å; E374-N376 VanDerWaalsContact C-N 3.28Å; E374-N376 PolarHBondContact O-N 2.92Å; E374-A377 PolarHBondContact O-N 2.96Å; E374-R378 WeakPolarHBondContact O-CB 3.44Å; E374-R378 PolarHBondContact O-N 2.6Å; E374-Q419 PolarHBondContact OE2-NE2 3.46Å; E374-L422 VanDerWaalsContact CD-CD2 3.44Å; E374-L422 HydrophobicContact CG-CD2 3.66Å; E374-L423 HydrophobicContact CB-CD2 3.39Å; E374-L423 HydrophobicContact CB-CG 4.04Å; E374-L423 HydrophobicContact CG-CD2 4.46Å; E374-R426 IonicContact OE1-CZ 2.81Å; E374-R426 IonicContact OE1-NH1 3.08Å; E374-R426 PolarHBondContact OE1-NH1 3.49Å; E374-R426 IonicContact OE1-NH2 2.78Å; E374-R426 PolarHBondContact OE1-NH2 3.07Å
375K92.2Very high91.9Very high69 Ų6967.2 Ų67.230%0.334%0.34SS..Hα-helixtrans-61.1-40.3173.5-80.2170.6179.11720111.1L371 E372 E373 K379 L423 E427L371-K375 HydrophobicContact CG-CD 4.29Å; L371-K375 WeakPolarHBondContact O-CB 2.87Å; L371-K375 WeakPolarHBondContact O-CG 3.48Å; L371-K375 PolarHBondContact O-N 3.06Å; E372-K375 PolarHBondContact O-N 3.26Å; E373-K375 PolarHBondContact O-N 2.9Å; K375-K379 VanDerWaalsContact O-CG 3.29Å; K375-K379 WeakPolarHBondContact O-CG 3.41Å; K375-K379 PolarHBondContact O-N 3.38Å; K375-L423 HydrophobicContact CG-CD2 3.94Å; K375-E427 IonicContact NZ-OE1 3.23Å; K375-E427 PolarHBondContact NZ-OE1 3.32Å
376N93.4Very high91.6Very high63 Ų6365.2 Ų65.234%0.33733%0.334SS..Hα-helixtrans-71.7-39.9178.1-71.2-34.6000112.2E372 E373 E374 K379 Q380E372-N376 WeakPolarHBondContact O-CB 3.43Å; E372-N376 VanDerWaalsContact O-CG 3.26Å; E372-N376 PolarHBondContact O-N 3.19Å; E372-N376 PolarHBondContact O-ND2 3.24Å; E372-N376 PolarHBondContact OE1-ND2 2.7Å; E373-N376 PolarHBondContact O-N 3.26Å; E374-N376 VanDerWaalsContact C-N 3.28Å; E374-N376 PolarHBondContact O-N 2.92Å; N376-K379 PolarHBondContact O-N 3.13Å; N376-K379 PolarHBondContact OD1-NZ 2.86Å; N376-Q380 WeakPolarHBondContact O-CG 3.3Å; N376-Q380 PolarHBondContact O-N 2.86Å
377A91.2Very high91.3Very high30 Ų3067.4 Ų67.425%0.24834%0.339CS..Hα-helixtrans-63.8-41.2173.300000111.9E373 E374 K379 Q380 L381E373-A377 WeakPolarHBondContact O-CB 3.42Å; E373-A377 PolarHBondContact O-N 3.03Å; E374-A377 PolarHBondContact O-N 2.96Å; A377-K379 PolarHBondContact O-N 3.19Å; A377-Q380 WeakPolarHBondContact O-CB 3.33Å; A377-Q380 PolarHBondContact O-N 3.29Å; A377-Q380 VanDerWaalsContact O-N 3.15Å; A377-L381 PolarHBondContact O-N 3.28Å
378R90.9Very high90.8Very high84 Ų8468 Ų6832%0.31734%0.342SS..Hα-helixtrans-58.9-48172179.5-177.5157.8-174.6-7.2111.9E374 Q380 L381 E382 Q419 N420 L423E374-R378 WeakPolarHBondContact O-CB 3.44Å; E374-R378 PolarHBondContact O-N 2.6Å; R378-Q380 PolarHBondContact O-N 3.5Å; R378-L381 PolarHBondContact O-N 2.92Å; R378-L381 VanDerWaalsContact O-N 3.11Å; R378-E382 HydrophobicContact CG-CG 4.39Å; R378-E382 IonicContact CZ-OE1 2.82Å; R378-E382 VanDerWaalsContact CZ-OE1 3.23Å; R378-E382 IonicContact NE-OE1 3.95Å; R378-E382 PolarHBondContact NE-OE1 2.96Å; R378-E382 IonicContact NH2-OE1 2.75Å; R378-E382 PolarHBondContact NH2-OE1 3.35Å; R378-E382 WeakPolarHBondContact O-CG 3.4Å; R378-E382 PolarHBondContact O-N 3.14Å; R378-Q419 HydrophobicContact CB-CG 4.17Å; R378-N420 VanDerWaalsContact CD-OD1 3.25Å; R378-N420 WeakPolarHBondContact CD-OD1 3.38Å; R378-N420 PolarHBondContact NE-OD1 3.42Å; R378-N420 VanDerWaalsContact NE-OD1 3.15Å; R378-N420 PolarHBondContact NH1-OD1 3.4Å; R378-L423 HydrophobicContact CB-CD1 4.26Å
379K92.4Very high90.4Very high114 Ų11469.2 Ų69.250%0.49635%0.346SS..Hα-helixtrans-57.6-37.1176.2-74.2169.7-169.2162.50111.8K375 N376 A377 S383K375-K379 VanDerWaalsContact O-CG 3.29Å; K375-K379 WeakPolarHBondContact O-CG 3.41Å; K375-K379 PolarHBondContact O-N 3.38Å; N376-K379 PolarHBondContact O-N 3.13Å; N376-K379 PolarHBondContact OD1-NZ 2.86Å; A377-K379 PolarHBondContact O-N 3.19Å; K379-S383 WeakPolarHBondContact O-CB 3.49Å; K379-S383 PolarHBondContact O-N 2.97Å
380Q92.2Very high90Very high134 Ų13471.9 Ų71.963%0.62635%0.349SS*.Hα-helixtrans-66-44.9175-69.9173.710.300111.7N376 A377 R378 S383 L384N376-Q380 WeakPolarHBondContact O-CG 3.3Å; N376-Q380 PolarHBondContact O-N 2.86Å; A377-Q380 WeakPolarHBondContact O-CB 3.33Å; A377-Q380 PolarHBondContact O-N 3.29Å; A377-Q380 VanDerWaalsContact O-N 3.15Å; R378-Q380 PolarHBondContact O-N 3.5Å; Q380-S383 PolarHBondContact O-N 3.07Å; Q380-S383 PolarHBondContact O-OG 3.34Å; Q380-L384 PolarHBondContact O-N 3.48Å
381L90Very high89.6Confident33 Ų3370.3 Ų70.317%0.17335%0.345CS..Hα-helixtrans-61.3-43.2174.3-68.1-176.9000112.2A377 R378 S383 L384 Q385 I412 K415 I416A377-L381 PolarHBondContact O-N 3.28Å; R378-L381 PolarHBondContact O-N 2.92Å; R378-L381 VanDerWaalsContact O-N 3.11Å; L381-S383 VanDerWaalsContact C-N 3.31Å; L381-S383 PolarHBondContact O-N 2.87Å; L381-L384 PolarHBondContact O-N 3.16Å; L381-Q385 WeakPolarHBondContact O-CB 3.18Å; L381-Q385 PolarHBondContact O-N 3.09Å; L381-I412 HydrophobicContact CD2-CD1 4.26Å; L381-K415 HydrophobicContact CD1-CB 3.88Å; L381-I416 HydrophobicContact CB-CD1 4.1Å; L381-I416 HydrophobicContact CB-CG1 3.57Å; L381-I416 HydrophobicContact CD1-CG1 4.05Å; L381-I416 HydrophobicContact CG-CG1 4.48Å
382E90.2Very high88.7Confident68 Ų6872 Ų7232%0.31835%0.354SS..Hα-helixtrans-61.6-39175.7-72.7175.6171.200111.5R378 Q385 C386 I416R378-E382 HydrophobicContact CG-CG 4.39Å; R378-E382 IonicContact CZ-OE1 2.82Å; R378-E382 VanDerWaalsContact CZ-OE1 3.23Å; R378-E382 IonicContact NE-OE1 3.95Å; R378-E382 PolarHBondContact NE-OE1 2.96Å; R378-E382 IonicContact NH2-OE1 2.75Å; R378-E382 PolarHBondContact NH2-OE1 3.35Å; R378-E382 WeakPolarHBondContact O-CG 3.4Å; R378-E382 PolarHBondContact O-N 3.14Å; E382-Q385 WeakPolarHBondContact O-CB 3.33Å; E382-Q385 PolarHBondContact O-N 3.29Å; E382-C386 PolarHBondContact O-N 2.99Å; E382-I416 HydrophobicContact CG-CD1 4.22Å
383S91.6Very high88Confident75 Ų7577.3 Ų77.352%0.52437%0.37SS..Hα-helixtrans-65.9-38.7174.577.60000112.4K379 Q380 L381 C386 Y387K379-S383 WeakPolarHBondContact O-CB 3.49Å; K379-S383 PolarHBondContact O-N 2.97Å; Q380-S383 PolarHBondContact O-N 3.07Å; Q380-S383 PolarHBondContact O-OG 3.34Å; L381-S383 VanDerWaalsContact C-N 3.31Å; L381-S383 PolarHBondContact O-N 2.87Å; S383-C386 PolarHBondContact O-N 2.98Å; S383-Y387 WeakPolarHBondContact O-CB 3.04Å; S383-Y387 PolarHBondContact O-N 3.41Å
384L89.6Confident87.3Confident76 Ų7677.3 Ų77.340%0.39837%0.368SS..Hα-helixtrans-69.2-38.6176.5-173.764.4000111.2Q380 L381 Y387 L388 I412Q380-L384 PolarHBondContact O-N 3.48Å; L381-L384 PolarHBondContact O-N 3.16Å; L384-Y387 WeakPolarHBondContact O-CB 3.42Å; L384-Y387 PolarHBondContact O-N 2.91Å; L384-L388 HydrophobicContact CG-CD1 4.47Å; L384-L388 WeakPolarHBondContact O-CG 3.28Å; L384-L388 PolarHBondContact O-N 3.3Å; L384-I412 HydrophobicContact CD2-CD1 3.63Å; L384-I412 HydrophobicContact CD2-CG1 4.2Å; L384-I412 HydrophobicContact CG-CD1 4.5Å
385Q88Confident85.9Confident42 Ų4284 Ų8420%0.19640%0.404CS..Hα-helixtrans-58.8-50.5171.8-176.9-176.61100110.9L381 E382 Y387 L388 E389 I412 I416L381-Q385 WeakPolarHBondContact O-CB 3.18Å; L381-Q385 PolarHBondContact O-N 3.09Å; E382-Q385 WeakPolarHBondContact O-CB 3.33Å; E382-Q385 PolarHBondContact O-N 3.29Å; Q385-Y387 VanDerWaalsContact C-N 3.27Å; Q385-Y387 PolarHBondContact O-N 3.11Å; Q385-L388 PolarHBondContact O-N 3.35Å; Q385-L388 VanDerWaalsContact O-N 3.17Å; Q385-E389 WeakPolarHBondContact O-CG 3.25Å; Q385-E389 PolarHBondContact O-N 2.83Å; Q385-I412 HydrophobicContact CB-CG2 3.94Å; Q385-I416 HydrophobicContact CB-CD1 4.1Å
386C86.8Confident85Confident62 Ų6284.4 Ų84.442%0.41943%0.428SS..Hα-helixtrans-58.6-41177.4-170.40000111.5E382 S383 E389 E390E382-C386 PolarHBondContact O-N 2.99Å; S383-C386 PolarHBondContact O-N 2.98Å; C386-E389 PolarHBondContact O-N 3.47Å; C386-E390 WeakPolarHBondContact O-CG 3.44Å; C386-E390 PolarHBondContact O-N 2.94Å
387Y87.3Confident83.9Confident140 Ų14083.8 Ų83.855%0.54942%0.424SS..Hα-helixtrans-63.6-43.9175.5177.6-95.3000112.8S383 L384 Q385 E390 A391S383-Y387 WeakPolarHBondContact O-CB 3.04Å; S383-Y387 PolarHBondContact O-N 3.41Å; L384-Y387 WeakPolarHBondContact O-CB 3.42Å; L384-Y387 PolarHBondContact O-N 2.91Å; Q385-Y387 VanDerWaalsContact C-N 3.27Å; Q385-Y387 PolarHBondContact O-N 3.11Å; Y387-E390 PolarHBondContact O-N 2.88Å; Y387-A391 WeakPolarHBondContact O-CB 3.39Å; Y387-A391 PolarHBondContact O-N 3.37Å
388L84.6Confident83.3Confident12 Ų1285.2 Ų85.26%0.06343%0.432CS..Hα-helixtrans-65.2-39176.3-73.2172.6000111.8L384 Q385 A391 N392 L405 E408 I412L384-L388 HydrophobicContact CG-CD1 4.47Å; L384-L388 WeakPolarHBondContact O-CG 3.28Å; L384-L388 PolarHBondContact O-N 3.3Å; Q385-L388 PolarHBondContact O-N 3.35Å; Q385-L388 VanDerWaalsContact O-N 3.17Å; L388-A391 PolarHBondContact O-N 3.06Å; L388-N392 WeakPolarHBondContact O-CB 3.3Å; L388-N392 PolarHBondContact O-N 3.34Å; L388-L405 HydrophobicContact CD2-CD2 3.84Å; L388-E408 HydrophobicContact CD1-CB 4.2Å; L388-E408 WeakPolarHBondContact CD2-OE2 3.39Å; L388-I412 HydrophobicContact CD1-CG1 3.82Å
389E83.5Confident82.8Confident82 Ų8289.1 Ų89.138%0.38346%0.456SS..Hα-helixtrans-62.5-44.1173.8-74.7179-174.200112.2Q385 C386 N392 R393Q385-E389 WeakPolarHBondContact O-CG 3.25Å; Q385-E389 PolarHBondContact O-N 2.83Å; C386-E389 PolarHBondContact O-N 3.47Å; E389-N392 PolarHBondContact O-N 2.88Å; E389-R393 PolarHBondContact O-N 3.35Å; E389-R393 VanDerWaalsContact O-N 3.15Å
390E84.9Confident82.3Confident110 Ų11090 Ų9051%0.51446%0.462SS..Hα-helixtrans-63.5-42.5173.4-77.7-175.6178.600112.3C386 Y387 R393 K394C386-E390 WeakPolarHBondContact O-CG 3.44Å; C386-E390 PolarHBondContact O-N 2.94Å; Y387-E390 PolarHBondContact O-N 2.88Å; E390-R393 WeakPolarHBondContact O-CB 3.29Å; E390-R393 PolarHBondContact O-N 3.43Å; E390-K394 PolarHBondContact O-N 3.37Å
391A82.9Confident81.9Confident17 Ų1787.5 Ų87.514%0.1445%0.451CS..Hα-helixtrans-61.1-44.8176.700000111.4Y387 L388 R393 K394 L397 L405Y387-A391 WeakPolarHBondContact O-CB 3.39Å; Y387-A391 PolarHBondContact O-N 3.37Å; L388-A391 PolarHBondContact O-N 3.06Å; A391-R393 PolarHBondContact O-N 3Å; A391-K394 WeakPolarHBondContact O-CB 3.43Å; A391-K394 PolarHBondContact O-N 2.86Å; A391-K394 VanDerWaalsContact O-N 3.12Å; A391-L397 WeakPolarHBondContact O-CD1 3.29Å; A391-L405 HydrophobicContact CB-CD1 4.44Å
392N75.4Confident81.5Confident43 Ų4392 Ų9223%0.2347%0.465CS..Hα-helixtrans-66.8-23.8178.8-147.82.4000112.8L388 E389 L405L388-N392 WeakPolarHBondContact O-CB 3.3Å; L388-N392 PolarHBondContact O-N 3.34Å; E389-N392 PolarHBondContact O-N 2.88Å; N392-L405 HydrophobicContact CB-CD1 4.28Å
393R76.8Confident81.2Confident203 Ų20394.8 Ų94.877%0.76648%0.478SS*.Hα-helixtrans-73.5-20.7172.7-83.1177.6173.1164.42.1114.1E389 E390 A391 L395E389-R393 PolarHBondContact O-N 3.35Å; E389-R393 VanDerWaalsContact O-N 3.15Å; E390-R393 WeakPolarHBondContact O-CB 3.29Å; E390-R393 PolarHBondContact O-N 3.43Å; A391-R393 PolarHBondContact O-N 3Å; R393-L395 PolarHBondContact O-N 3.23Å
394K77.9Confident80.9Confident133 Ų13398 Ų9858%0.57848%0.479SS*.SBendtrans-65.8127-177-68.5179.5-177.5171.40110.9E390 A391 G396E390-K394 PolarHBondContact O-N 3.37Å; A391-K394 WeakPolarHBondContact O-CB 3.43Å; A391-K394 PolarHBondContact O-N 2.86Å; A391-K394 VanDerWaalsContact O-N 3.12Å; K394-G396 PolarHBondContact O-N 3.08Å
395L63.1Low80.6Confident173 Ų17395.6 Ų95.691%0.90647%0.466SS*.THydrogen-bonded Turntrans-69.5123.1177.9-69.8164.3000109.8R393R393-L395 PolarHBondContact O-N 3.23Å
396G72.8Confident80.5Confident78 Ų7895 Ų9580%0.80447%0.468SS*.THydrogen-bonded Turntrans128.8-4.9174.800000116.9K394K394-G396 PolarHBondContact O-N 3.08Å
397L69.1Low80.5Confident50 Ų5097.1 Ų97.126%0.26247%0.472SS..  trans-70.3140179-66.2164.1000112.7A391 E401 R402 L405A391-L397 WeakPolarHBondContact O-CD1 3.29Å; L397-E401 VanDerWaalsContact CA-OE2 3.27Å; L397-E401 WeakPolarHBondContact CA-OE2 3.43Å; L397-E401 HydrophobicContact CB-CB 4.18Å; L397-E401 HydrophobicContact CD2-CB 4Å; L397-E401 WeakPolarHBondContact CD2-OE2 3.5Å; L397-R402 HydrophobicContact CB-CG 4.09Å; L397-L405 HydrophobicContact CD1-CD1 3.7Å
398S79.7Confident80.5Confident60 Ų6094.9 Ų94.942%0.4247%0.467SS..  trans-63.3156.7170.3177.80000111.5E400 E401 R402S398-E400 PolarHBondContact O-N 3.26Å; S398-E401 PolarHBondContact N-OE2 3.05Å; S398-E401 PolarHBondContact O-N 2.98Å; S398-E401 VanDerWaalsContact O-N 3.08Å; S398-R402 PolarHBondContact O-N 3.46Å
399M79.3Confident80.6Confident166 Ų16698.4 Ų98.482%0.81848%0.479SS*.Hα-helixtrans-54-39.3173.1-77.4-175.162.200111.9R402 Q403M399-R402 PolarHBondContact O-N 2.94Å; M399-Q403 PolarHBondContact O-N 2.96Å
400E83.5Confident80.9Confident132 Ų13298.3 Ų98.362%0.61748%0.481SS*.Hα-helixtrans-66.8-34.6177.6-66.7-179.4177.300113.1S398 R404S398-E400 PolarHBondContact O-N 3.26Å; E400-R404 PolarHBondContact O-N 3.39Å; E400-R404 IonicContact OE2-NH2 3.58Å
401E82.6Confident81.2Confident82 Ų8298.6 Ų98.638%0.38348%0.483SS..Hα-helixtrans-72.9-41.6177.8-68.3172.4152.200110.9L397 S398 Q403 R404 L405L397-E401 VanDerWaalsContact CA-OE2 3.27Å; L397-E401 WeakPolarHBondContact CA-OE2 3.43Å; L397-E401 HydrophobicContact CB-CB 4.18Å; L397-E401 HydrophobicContact CD2-CB 4Å; L397-E401 WeakPolarHBondContact CD2-OE2 3.5Å; S398-E401 PolarHBondContact N-OE2 3.05Å; S398-E401 PolarHBondContact O-N 2.98Å; S398-E401 VanDerWaalsContact O-N 3.08Å; E401-Q403 VanDerWaalsContact C-N 3.3Å; E401-Q403 PolarHBondContact O-N 3.45Å; E401-R404 PolarHBondContact O-N 2.89Å; E401-L405 WeakPolarHBondContact O-CB 2.92Å; E401-L405 WeakPolarHBondContact O-CG 3.31Å; E401-L405 PolarHBondContact O-N 3.2Å
402R80.9Confident81.5Confident129 Ų12998.4 Ų98.449%0.48748%0.479SS..Hα-helixtrans-59.9-40.9172.6-75.5-174.4177.3-163.6-2.8112.1L397 S398 M399 A406L397-R402 HydrophobicContact CB-CG 4.09Å; S398-R402 PolarHBondContact O-N 3.46Å; M399-R402 PolarHBondContact O-N 2.94Å; R402-A406 VanDerWaalsContact O-CB 3.31Å; R402-A406 WeakPolarHBondContact O-CB 3.33Å; R402-A406 PolarHBondContact O-N 2.96Å
403Q84.6Confident82.2Confident126 Ų126101.2 Ų101.259%0.58949%0.491SS*.Hα-helixtrans-69.9-39.2179.2-170.4158.4-0.300112.1M399 E401 A406 Q407M399-Q403 PolarHBondContact O-N 2.96Å; E401-Q403 VanDerWaalsContact C-N 3.3Å; E401-Q403 PolarHBondContact O-N 3.45Å; Q403-A406 PolarHBondContact O-N 3.31Å; Q403-Q407 WeakPolarHBondContact O-CG 3.44Å; Q403-Q407 PolarHBondContact O-N 2.75Å
404R85.4Confident82.9Confident141 Ų14194.4 Ų94.453%0.53248%0.478SS..Hα-helixtrans-61.5-47.9171.6-84.1-174.2-87.1-161.8-6.8112.5E400 E401 A406 Q407 E408E400-R404 PolarHBondContact O-N 3.39Å; E400-R404 IonicContact OE2-NH2 3.58Å; E401-R404 PolarHBondContact O-N 2.89Å; R404-A406 VanDerWaalsContact C-N 3.3Å; R404-A406 PolarHBondContact O-N 2.83Å; R404-Q407 PolarHBondContact O-N 2.84Å; R404-E408 PolarHBondContact O-N 3.32Å
405L84.3Confident83.6Confident26 Ų2692.8 Ų92.814%0.13647%0.471CS..Hα-helixtrans-63.5-35.4177.2-71.8173.7000112.5L388 A391 N392 L397 E401 R409L388-L405 HydrophobicContact CD2-CD2 3.84Å; A391-L405 HydrophobicContact CB-CD1 4.44Å; N392-L405 HydrophobicContact CB-CD1 4.28Å; L397-L405 HydrophobicContact CD1-CD1 3.7Å; E401-L405 WeakPolarHBondContact O-CB 2.92Å; E401-L405 WeakPolarHBondContact O-CG 3.31Å; E401-L405 PolarHBondContact O-N 3.2Å; L405-R409 VanDerWaalsContact O-CB 3.31Å; L405-R409 WeakPolarHBondContact O-CB 3.42Å; L405-R409 PolarHBondContact O-N 3.33Å
406A84.5Confident84.9Confident29 Ų2985.2 Ų85.224%0.2443%0.431CS..Hα-helixtrans-65.6-43.7174.300000111.7R402 Q403 R404 R409 D410R402-A406 VanDerWaalsContact O-CB 3.31Å; R402-A406 WeakPolarHBondContact O-CB 3.33Å; R402-A406 PolarHBondContact O-N 2.96Å; Q403-A406 PolarHBondContact O-N 3.31Å; R404-A406 VanDerWaalsContact C-N 3.3Å; R404-A406 PolarHBondContact O-N 2.83Å; A406-R409 PolarHBondContact O-N 3.3Å; A406-D410 PolarHBondContact O-N 3.46Å
407Q87.1Confident85.8Confident107 Ų10786.9 Ų86.950%0.542%0.418SS..Hα-helixtrans-61.8-48174.6-74.3175.9-2000111.9Q403 R404 R409 D410 E411Q403-Q407 WeakPolarHBondContact O-CG 3.44Å; Q403-Q407 PolarHBondContact O-N 2.75Å; R404-Q407 PolarHBondContact O-N 2.84Å; Q407-R409 VanDerWaalsContact C-N 3.3Å; Q407-R409 PolarHBondContact O-N 2.82Å; Q407-D410 PolarHBondContact O-N 2.92Å; Q407-E411 WeakPolarHBondContact O-CG 3.49Å; Q407-E411 PolarHBondContact O-N 3.24Å
408E88.5Confident86.9Confident94 Ų9490.6 Ų90.644%0.43943%0.434SS..Hα-helixtrans-59.3-40.9175.6-75.3-179.3-176.100111.7L388 R404 E411 I412L388-E408 HydrophobicContact CD1-CB 4.2Å; L388-E408 WeakPolarHBondContact CD2-OE2 3.39Å; R404-E408 PolarHBondContact O-N 3.32Å; E408-E411 PolarHBondContact O-N 2.94Å; E408-I412 VanDerWaalsContact O-CG1 3.3Å; E408-I412 WeakPolarHBondContact O-CG1 3.28Å; E408-I412 PolarHBondContact O-N 3.46Å
409R86.7Confident87.4Confident86 Ų8689 Ų8933%0.32542%0.42SS..Hα-helixtrans-62.5-47.8176.3-175.2-16065.4-178.2-1.1111.5L405 A406 Q407 E411 I412 E413L405-R409 VanDerWaalsContact O-CB 3.31Å; L405-R409 WeakPolarHBondContact O-CB 3.42Å; L405-R409 PolarHBondContact O-N 3.33Å; A406-R409 PolarHBondContact O-N 3.3Å; Q407-R409 VanDerWaalsContact C-N 3.3Å; Q407-R409 PolarHBondContact O-N 2.82Å; R409-E411 VanDerWaalsContact C-N 3.27Å; R409-E411 PolarHBondContact O-N 3.45Å; R409-I412 PolarHBondContact O-N 2.75Å; R409-E413 WeakPolarHBondContact O-CB 3.43Å; R409-E413 PolarHBondContact O-N 3.5Å
410D88.9Confident88Confident79 Ų7983.1 Ų83.142%0.42239%0.392SS..Hα-helixtrans-64.3-34.8-179.8-63.5-6.7000110.7A406 Q407 A414A406-D410 PolarHBondContact O-N 3.46Å; Q407-D410 PolarHBondContact O-N 2.92Å; D410-A414 WeakPolarHBondContact O-CB 3.36Å; D410-A414 PolarHBondContact O-N 3.24Å
411E90.6Very high88.4Confident116 Ų11681.1 Ų81.154%0.54238%0.382SS..Hα-helixtrans-65.4-42.7171-74.8179.7-166.300112.9Q407 E408 R409 A414 K415Q407-E411 WeakPolarHBondContact O-CG 3.49Å; Q407-E411 PolarHBondContact O-N 3.24Å; E408-E411 PolarHBondContact O-N 2.94Å; R409-E411 VanDerWaalsContact C-N 3.27Å; R409-E411 PolarHBondContact O-N 3.45Å; E411-A414 PolarHBondContact O-N 3.46Å; E411-K415 WeakPolarHBondContact O-CG 3.3Å; E411-K415 PolarHBondContact O-N 3.46Å
412I90.3Very high88.8Confident14 Ų1479.9 Ų79.97%0.07238%0.378CS..Hα-helixtrans-66.6-40.6175.5-67.6-56.5000110.9L381 L384 Q385 L388 E408 R409 A414 K415 I416L381-I412 HydrophobicContact CD2-CD1 4.26Å; L384-I412 HydrophobicContact CD2-CD1 3.63Å; L384-I412 HydrophobicContact CD2-CG1 4.2Å; L384-I412 HydrophobicContact CG-CD1 4.5Å; Q385-I412 HydrophobicContact CB-CG2 3.94Å; L388-I412 HydrophobicContact CD1-CG1 3.82Å; E408-I412 VanDerWaalsContact O-CG1 3.3Å; E408-I412 WeakPolarHBondContact O-CG1 3.28Å; E408-I412 PolarHBondContact O-N 3.46Å; R409-I412 PolarHBondContact O-N 2.75Å; I412-A414 VanDerWaalsContact C-N 3.34Å; I412-A414 PolarHBondContact O-N 3.14Å; I412-K415 HydrophobicContact CD1-CD 4.35Å; I412-K415 PolarHBondContact O-N 3.38Å; I412-I416 HydrophobicContact CG2-CD1 3.88Å; I412-I416 HydrophobicContact CG2-CG1 4.35Å; I412-I416 WeakPolarHBondContact O-CG1 3.4Å; I412-I416 PolarHBondContact O-N 2.96Å
413E89.4Confident89.3Confident101 Ų10174.1 Ų74.147%0.47236%0.357SS..Hα-helixtrans-62.4-41.8176.2-170.7172-174.400111.1R409 I416 H417R409-E413 WeakPolarHBondContact O-CB 3.43Å; R409-E413 PolarHBondContact O-N 3.5Å; E413-I416 PolarHBondContact O-N 2.89Å; E413-H417 WeakPolarHBondContact O-CB 3.35Å; E413-H417 PolarHBondContact O-N 2.88Å
414A91.5Very high89.6Confident60 Ų6073.9 Ų73.950%0.49636%0.356SS..Hα-helixtrans-61-43.2172.600000112.3D410 E411 I412 H417 E418D410-A414 WeakPolarHBondContact O-CB 3.36Å; D410-A414 PolarHBondContact O-N 3.24Å; E411-A414 PolarHBondContact O-N 3.46Å; I412-A414 VanDerWaalsContact C-N 3.34Å; I412-A414 PolarHBondContact O-N 3.14Å; A414-H417 WeakPolarHBondContact O-CB 3.32Å; A414-H417 PolarHBondContact O-N 2.88Å; A414-E418 PolarHBondContact O-N 3Å
415K92.6Very high89.9Confident100 Ų10073.2 Ų73.244%0.43536%0.359SS..Hα-helixtrans-65.3-39.3175.7-73.4173.5-177.4168.70112.9L381 E411 I412 H417 E418 Q419L381-K415 HydrophobicContact CD1-CB 3.88Å; E411-K415 WeakPolarHBondContact O-CG 3.3Å; E411-K415 PolarHBondContact O-N 3.46Å; I412-K415 HydrophobicContact CD1-CD 4.35Å; I412-K415 PolarHBondContact O-N 3.38Å; K415-H417 VanDerWaalsContact C-N 3.3Å; K415-E418 PolarHBondContact O-N 2.88Å; K415-Q419 WeakPolarHBondContact O-CB 3.39Å; K415-Q419 PolarHBondContact O-N 3.37Å
416I91.4Very high90.2Very high14 Ų1474.6 Ų74.67%0.07236%0.362CS..Hα-helixtrans-63.4-40.7174.2-71169.6000110L381 E382 Q385 I412 E413 Q419 N420L381-I416 HydrophobicContact CB-CD1 4.1Å; L381-I416 HydrophobicContact CB-CG1 3.57Å; L381-I416 HydrophobicContact CD1-CG1 4.05Å; L381-I416 HydrophobicContact CG-CG1 4.48Å; E382-I416 HydrophobicContact CG-CD1 4.22Å; Q385-I416 HydrophobicContact CB-CD1 4.1Å; I412-I416 HydrophobicContact CG2-CD1 3.88Å; I412-I416 HydrophobicContact CG2-CG1 4.35Å; I412-I416 WeakPolarHBondContact O-CG1 3.4Å; I412-I416 PolarHBondContact O-N 2.96Å; E413-I416 PolarHBondContact O-N 2.89Å; I416-Q419 PolarHBondContact O-N 3.48Å; I416-N420 WeakPolarHBondContact O-CB 3.43Å; I416-N420 VanDerWaalsContact O-CG 3.27Å; I416-N420 PolarHBondContact O-N 3.07Å; I416-N420 PolarHBondContact O-ND2 3.33Å; I416-N420 VanDerWaalsContact O-ND2 3.12Å
417H91.4Very high90.6Very high113 Ų11376.7 Ų76.752%0.52337%0.367SS..Hα-helixtrans-63.4-46.5176.3-171.266.2000111.9E413 A414 K415 Q419 N420 Q421E413-H417 WeakPolarHBondContact O-CB 3.35Å; E413-H417 PolarHBondContact O-N 2.88Å; A414-H417 WeakPolarHBondContact O-CB 3.32Å; A414-H417 PolarHBondContact O-N 2.88Å; K415-H417 VanDerWaalsContact C-N 3.3Å; H417-Q419 VanDerWaalsContact C-N 3.34Å; H417-Q419 PolarHBondContact O-N 3.43Å; H417-N420 WeakPolarHBondContact O-CB 3.49Å; H417-N420 PolarHBondContact O-N 3.41Å; H417-Q421 PolarHBondContact CD2-NE2 2.86Å; H417-Q421 PolarHBondContact NE2-NE2 3.2Å; H417-Q421 PolarHBondContact O-N 3.2Å
418E92Very high90.9Very high128 Ų12876.7 Ų76.760%0.59837%0.367SS*.Hα-helixtrans-58.5-45.3174.2-175.4178.6-168.600111.4A414 K415 N420 Q421 L422A414-E418 PolarHBondContact O-N 3Å; K415-E418 PolarHBondContact O-N 2.88Å; E418-N420 VanDerWaalsContact C-N 3.31Å; E418-N420 PolarHBondContact O-N 3.14Å; E418-Q421 PolarHBondContact O-N 3.34Å; E418-L422 PolarHBondContact O-N 3.49Å
419Q90.1Very high91.2Very high26 Ų2675.8 Ų75.812%0.12136%0.363CS..Hα-helixtrans-67.6-31.2179.1-162.1148.333.700112.7E374 R378 K415 I416 H417 L423E374-Q419 PolarHBondContact OE2-NE2 3.46Å; R378-Q419 HydrophobicContact CB-CG 4.17Å; K415-Q419 WeakPolarHBondContact O-CB 3.39Å; K415-Q419 PolarHBondContact O-N 3.37Å; I416-Q419 PolarHBondContact O-N 3.48Å; H417-Q419 VanDerWaalsContact C-N 3.34Å; H417-Q419 PolarHBondContact O-N 3.43Å; Q419-L423 VanDerWaalsContact O-CB 3.32Å; Q419-L423 WeakPolarHBondContact O-CB 3.44Å; Q419-L423 VanDerWaalsContact O-CG 3.24Å; Q419-L423 WeakPolarHBondContact O-CG 3.28Å; Q419-L423 PolarHBondContact O-N 3.3Å
420N91.5Very high91.4Very high42 Ų4273.7 Ų73.723%0.22536%0.356CS..Hα-helixtrans-67.3-39.7171.7-78.5-36.3000112.6R378 I416 H417 E418 L423 Q424R378-N420 VanDerWaalsContact CD-OD1 3.25Å; R378-N420 WeakPolarHBondContact CD-OD1 3.38Å; R378-N420 PolarHBondContact NE-OD1 3.42Å; R378-N420 VanDerWaalsContact NE-OD1 3.15Å; R378-N420 PolarHBondContact NH1-OD1 3.4Å; I416-N420 WeakPolarHBondContact O-CB 3.43Å; I416-N420 VanDerWaalsContact O-CG 3.27Å; I416-N420 PolarHBondContact O-N 3.07Å; I416-N420 PolarHBondContact O-ND2 3.33Å; I416-N420 VanDerWaalsContact O-ND2 3.12Å; H417-N420 WeakPolarHBondContact O-CB 3.49Å; H417-N420 PolarHBondContact O-N 3.41Å; E418-N420 VanDerWaalsContact C-N 3.31Å; E418-N420 PolarHBondContact O-N 3.14Å; N420-L423 PolarHBondContact O-N 2.94Å; N420-Q424 WeakPolarHBondContact O-CG 3.42Å; N420-Q424 PolarHBondContact O-N 3.05Å
421Q91.8Very high91.7Very high90 Ų9077.1 Ų77.142%0.42136%0.363SS..Hα-helixtrans-63.7-47.2174.3-68.2-178.74.500110.5H417 E418 L423 Q424 E425H417-Q421 PolarHBondContact CD2-NE2 2.86Å; H417-Q421 PolarHBondContact NE2-NE2 3.2Å; H417-Q421 PolarHBondContact O-N 3.2Å; E418-Q421 PolarHBondContact O-N 3.34Å; Q421-L423 VanDerWaalsContact C-N 3.33Å; Q421-L423 PolarHBondContact O-N 2.92Å; Q421-Q424 WeakPolarHBondContact O-CB 3.38Å; Q421-Q424 PolarHBondContact O-N 3.42Å; Q421-Q424 VanDerWaalsContact O-N 3.11Å; Q421-E425 WeakPolarHBondContact O-CG 3.13Å; Q421-E425 PolarHBondContact O-N 2.93Å
422L91.4Very high91.8Very high56 Ų5678 Ų7829%0.29337%0.367SS..Hα-helixtrans-62.5-38.9178.1-170149.6000112.4E374 E418 E425 R426E374-L422 VanDerWaalsContact CD-CD2 3.44Å; E374-L422 HydrophobicContact CG-CD2 3.66Å; E418-L422 PolarHBondContact O-N 3.49Å; L422-E425 PolarHBondContact O-N 3.3Å; L422-R426 HydrophobicContact CD2-CG 4.29Å; L422-R426 WeakPolarHBondContact O-CB 3.35Å; L422-R426 WeakPolarHBondContact O-CG 3.35Å; L422-R426 PolarHBondContact O-N 3.27Å
423L91.3Very high91.9Very high9 Ų980 Ų805%0.04738%0.376CS..Hα-helixtrans-61.4-45.1172.1-81.3172.4000111.9L371 E374 K375 R378 Q419 N420 Q421 R426 E427L371-L423 HydrophobicContact CD1-CD2 3.53Å; L371-L423 HydrophobicContact CG-CD2 4.42Å; E374-L423 HydrophobicContact CB-CD2 3.39Å; E374-L423 HydrophobicContact CB-CG 4.04Å; E374-L423 HydrophobicContact CG-CD2 4.46Å; K375-L423 HydrophobicContact CG-CD2 3.94Å; R378-L423 HydrophobicContact CB-CD1 4.26Å; Q419-L423 VanDerWaalsContact O-CB 3.32Å; Q419-L423 WeakPolarHBondContact O-CB 3.44Å; Q419-L423 VanDerWaalsContact O-CG 3.24Å; Q419-L423 WeakPolarHBondContact O-CG 3.28Å; Q419-L423 PolarHBondContact O-N 3.3Å; N420-L423 PolarHBondContact O-N 2.94Å; Q421-L423 VanDerWaalsContact C-N 3.33Å; Q421-L423 PolarHBondContact O-N 2.92Å; L423-R426 PolarHBondContact O-N 2.97Å; L423-E427 WeakPolarHBondContact O-CB 3.48Å; L423-E427 WeakPolarHBondContact O-CG 3.38Å; L423-E427 PolarHBondContact O-N 3.43Å
424Q91.2Very high92.1Very high120 Ų12079 Ų7956%0.56137%0.371SS*.Hα-helixtrans-61.9-46.8177.3-76.3178.6-13.700111.4N420 Q421 R426 E427 E428N420-Q424 WeakPolarHBondContact O-CG 3.42Å; N420-Q424 PolarHBondContact O-N 3.05Å; Q421-Q424 WeakPolarHBondContact O-CB 3.38Å; Q421-Q424 PolarHBondContact O-N 3.42Å; Q421-Q424 VanDerWaalsContact O-N 3.11Å; Q424-R426 PolarHBondContact O-N 2.96Å; Q424-E427 PolarHBondContact O-N 3.24Å; Q424-E428 WeakPolarHBondContact O-CB 3.46Å; Q424-E428 WeakPolarHBondContact O-CG 3.37Å; Q424-E428 PolarHBondContact O-N 2.95Å
425E91.8Very high92.2Very high128 Ų12879 Ų7960%0.59837%0.37SS*.Hα-helixtrans-58.9-45.2176.8-71.2177.8176.500111.7Q421 L422 E428 E429Q421-E425 WeakPolarHBondContact O-CG 3.13Å; Q421-E425 PolarHBondContact O-N 2.93Å; L422-E425 PolarHBondContact O-N 3.3Å; E425-E428 PolarHBondContact O-N 3.49Å; E425-E429 WeakPolarHBondContact O-CB 3.49Å; E425-E429 PolarHBondContact O-N 3.41Å
426R91.1Very high92.2Very high55 Ų5577.2 Ų77.221%0.20836%0.364CS..Hα-helixtrans-67.3-37176.3-76-165.7176.7159.510.9113.2Q370 L371 E374 L422 L423 Q424 E428 K430Q370-R426 PolarHBondContact O-NH1 3.05Å; L371-R426 HydrophobicContact CD1-CB 4.25Å; E374-R426 IonicContact OE1-CZ 2.81Å; E374-R426 IonicContact OE1-NH1 3.08Å; E374-R426 PolarHBondContact OE1-NH1 3.49Å; E374-R426 IonicContact OE1-NH2 2.78Å; E374-R426 PolarHBondContact OE1-NH2 3.07Å; L422-R426 HydrophobicContact CD2-CG 4.29Å; L422-R426 WeakPolarHBondContact O-CB 3.35Å; L422-R426 WeakPolarHBondContact O-CG 3.35Å; L422-R426 PolarHBondContact O-N 3.27Å; L423-R426 PolarHBondContact O-N 2.97Å; Q424-R426 PolarHBondContact O-N 2.96Å; R426-E428 VanDerWaalsContact C-N 3.33Å; R426-K430 VanDerWaalsContact O-CB 3.28Å; R426-K430 WeakPolarHBondContact O-CB 3.35Å; R426-K430 PolarHBondContact O-N 2.93Å
427E92.4Very high92.2Very high73 Ų7377.1 Ų77.134%0.34136%0.364SS..Hα-helixtrans-66.1-36.7174.5-76.1-172.9167.600111.8L371 K375 L423 Q424 R431L371-E427 HydrophobicContact CD1-CG 3.48Å; L371-E427 VanDerWaalsContact CD1-CG 3.48Å; L371-E427 HydrophobicContact CD2-CG 3.77Å; L371-E427 HydrophobicContact CG-CG 4.28Å; K375-E427 IonicContact NZ-OE1 3.23Å; K375-E427 PolarHBondContact NZ-OE1 3.32Å; L423-E427 WeakPolarHBondContact O-CB 3.48Å; L423-E427 WeakPolarHBondContact O-CG 3.38Å; L423-E427 PolarHBondContact O-N 3.43Å; Q424-E427 PolarHBondContact O-N 3.24Å; E427-R431 VanDerWaalsContact O-CB 3.3Å; E427-R431 WeakPolarHBondContact O-CB 3.41Å; E427-R431 PolarHBondContact O-N 2.73Å
428E93.4Very high92.3Very high107 Ų10774.5 Ų74.550%0.536%0.361SS..Hα-helixtrans-68.3-45.8173.9-73.7-179.7-177.700111.9Q424 E425 R426 K430 R431 Q432Q424-E428 WeakPolarHBondContact O-CB 3.46Å; Q424-E428 WeakPolarHBondContact O-CG 3.37Å; Q424-E428 PolarHBondContact O-N 2.95Å; E425-E428 PolarHBondContact O-N 3.49Å; R426-E428 VanDerWaalsContact C-N 3.33Å; E428-K430 PolarHBondContact O-N 3.23Å; E428-R431 WeakPolarHBondContact O-CB 3.36Å; E428-R431 PolarHBondContact O-N 2.94Å; E428-Q432 WeakPolarHBondContact O-CG 3.48Å; E428-Q432 PolarHBondContact O-N 3.41Å
429E93.5Very high92.4Very high74 Ų7476.3 Ų76.335%0.34636%0.362SS..Hα-helixtrans-58.6-47.9175-172.9-178-174.600110.9L367 E425 R431 Q432 F433L367-E429 HydrophobicContact CD1-CG 4.06Å; L367-E429 HydrophobicContact CD2-CG 4.39Å; E425-E429 WeakPolarHBondContact O-CB 3.49Å; E425-E429 PolarHBondContact O-N 3.41Å; E429-R431 VanDerWaalsContact C-N 3.33Å; E429-R431 PolarHBondContact O-N 3.34Å; E429-Q432 WeakPolarHBondContact O-CB 3.42Å; E429-Q432 PolarHBondContact O-N 3.49Å; E429-F433 HydrophobicContact CG-CD2 3.89Å; E429-F433 HydrophobicContact CG-CE2 3.73Å; E429-F433 VanDerWaalsContact O-CD2 3.31Å; E429-F433 WeakPolarHBondContact O-CD2 3.5Å; E429-F433 PolarHBondContact O-N 3.04Å
430K92.8Very high92.4Very high43 Ų4375.9 Ų75.919%0.18736%0.361CS..Hα-helixtrans-56.2-47.1174.3178.9-169.9159.6-179.80111.4L367 N368 R426 E428 Q432 F433 E434L367-K430 HydrophobicContact CB-CB 4.25Å; L367-K430 HydrophobicContact CD1-CB 4.29Å; N368-K430 WeakPolarHBondContact OD1-CD 3.48Å; N368-K430 WeakPolarHBondContact OD1-CE 3.24Å; N368-K430 PolarHBondContact OD1-NZ 3.44Å; R426-K430 VanDerWaalsContact O-CB 3.28Å; R426-K430 WeakPolarHBondContact O-CB 3.35Å; R426-K430 PolarHBondContact O-N 2.93Å; E428-K430 PolarHBondContact O-N 3.23Å; K430-Q432 VanDerWaalsContact C-N 3.27Å; K430-Q432 PolarHBondContact O-N 2.9Å; K430-F433 PolarHBondContact O-N 3.44Å; K430-E434 WeakPolarHBondContact CE-OE1 3.36Å; K430-E434 WeakPolarHBondContact CE-OE2 3.1Å; K430-E434 HydrophobicContact CG-CG 4.31Å; K430-E434 IonicContact NZ-OE1 2.81Å; K430-E434 PolarHBondContact NZ-OE1 3.23Å; K430-E434 WeakPolarHBondContact O-CB 3.22Å; K430-E434 WeakPolarHBondContact O-CG 3.46Å; K430-E434 PolarHBondContact O-N 3.48Å
431R93.4Very high92.4Very high151 Ų15178.6 Ų78.657%0.5737%0.369SS*.Hα-helixtrans-61.5-36.2-179.7-170.7-176.2-64.6139.53.3111.7E427 E428 E429 A435E427-R431 VanDerWaalsContact O-CB 3.3Å; E427-R431 WeakPolarHBondContact O-CB 3.41Å; E427-R431 PolarHBondContact O-N 2.73Å; E428-R431 WeakPolarHBondContact O-CB 3.36Å; E428-R431 PolarHBondContact O-N 2.94Å; E429-R431 VanDerWaalsContact C-N 3.33Å; E429-R431 PolarHBondContact O-N 3.34Å; R431-A435 VanDerWaalsContact O-CB 3.29Å; R431-A435 WeakPolarHBondContact O-CB 3.34Å; R431-A435 PolarHBondContact O-N 2.93Å
432Q93.3Very high92.4Very high134 Ų13477 Ų7763%0.62637%0.37SS*.Hα-helixtrans-65.7-47.7175-69.8175.915.800111.5E428 E429 K430 A435 E436E428-Q432 WeakPolarHBondContact O-CG 3.48Å; E428-Q432 PolarHBondContact O-N 3.41Å; E429-Q432 WeakPolarHBondContact O-CB 3.42Å; E429-Q432 PolarHBondContact O-N 3.49Å; K430-Q432 VanDerWaalsContact C-N 3.27Å; K430-Q432 PolarHBondContact O-N 2.9Å; Q432-A435 PolarHBondContact O-N 3.02Å; Q432-E436 PolarHBondContact O-N 2.92Å
433F92.9Very high92.2Very high57 Ų5779.3 Ų79.325%0.2538%0.381CS..Hα-helixtrans-66.6-36.9178.2-79.3-68.8000113.1Y360 K363 V364 L367 E429 K430 E436 L437Y360-F433 AromaticContact CD1-CD1 3.63Å; Y360-F433 HydrophobicContact CD1-CD1 3.63Å; Y360-F433 HydrophobicContact CD1-CE1 4.14Å; Y360-F433 AromaticContact CE1-CD1 3.68Å; Y360-F433 HydrophobicContact CE1-CD1 3.68Å; Y360-F433 AromaticContact CE1-CE1 3.89Å; Y360-F433 HydrophobicContact CE1-CE1 3.89Å; K363-F433 HydrophobicContact CG-CD1 4.16Å; K363-F433 HydrophobicContact CG-CD2 4.11Å; K363-F433 HydrophobicContact CG-CE1 4.09Å; K363-F433 HydrophobicContact CG-CE2 4.06Å; K363-F433 HydrophobicContact CG-CG 4.15Å; K363-F433 HydrophobicContact CG-CZ 4.05Å; V364-F433 HydrophobicContact CG2-CB 3.93Å; L367-F433 HydrophobicContact CD1-CD2 3.61Å; L367-F433 HydrophobicContact CD1-CE2 4.23Å; L367-F433 HydrophobicContact CD1-CG 4.41Å; E429-F433 HydrophobicContact CG-CD2 3.89Å; E429-F433 HydrophobicContact CG-CE2 3.73Å; E429-F433 VanDerWaalsContact O-CD2 3.31Å; E429-F433 WeakPolarHBondContact O-CD2 3.5Å; E429-F433 PolarHBondContact O-N 3.04Å; K430-F433 PolarHBondContact O-N 3.44Å; F433-E436 PolarHBondContact O-N 3.2Å; F433-L437 VanDerWaalsContact O-CB 3.24Å; F433-L437 WeakPolarHBondContact O-CB 3.42Å; F433-L437 PolarHBondContact O-N 3.35Å
434E92.9Very high92Very high79 Ų7980.4 Ų80.437%0.36939%0.386SS..Hα-helixtrans-65.2-39.5173.2-75.8-178.7155.700112.1V364 K430 A438V364-E434 HydrophobicContact CG1-CG 3.81Å; V364-E434 HydrophobicContact CG2-CG 3.89Å; K430-E434 WeakPolarHBondContact CE-OE1 3.36Å; K430-E434 WeakPolarHBondContact CE-OE2 3.1Å; K430-E434 HydrophobicContact CG-CG 4.31Å; K430-E434 IonicContact NZ-OE1 2.81Å; K430-E434 PolarHBondContact NZ-OE1 3.23Å; K430-E434 WeakPolarHBondContact O-CB 3.22Å; K430-E434 WeakPolarHBondContact O-CG 3.46Å; K430-E434 PolarHBondContact O-N 3.48Å; E434-A438 WeakPolarHBondContact O-CB 3.3Å; E434-A438 PolarHBondContact O-N 2.9Å
435A93.7Very high91.7Very high59 Ų5980.2 Ų80.249%0.48839%0.385SS..Hα-helixtrans-66.1-42.5175.800000111.9R431 Q432 A438 R439R431-A435 VanDerWaalsContact O-CB 3.29Å; R431-A435 WeakPolarHBondContact O-CB 3.34Å; R431-A435 PolarHBondContact O-N 2.93Å; Q432-A435 PolarHBondContact O-N 3.02Å; A435-A438 PolarHBondContact O-N 2.99Å; A435-R439 WeakPolarHBondContact O-CB 3.5Å; A435-R439 PolarHBondContact O-N 3.4Å
436E92.2Very high91.4Very high63 Ų6376.8 Ų76.829%0.29438%0.378SS..Hα-helixtrans-69.1-39.9176.9-168.460.9-160.900111.5Y360 Q432 F433 A438 R439 V440Y360-E436 HydrophobicContact CE1-CG 4.19Å; Y360-E436 HydrophobicContact CE2-CG 4.19Å; Q432-E436 PolarHBondContact O-N 2.92Å; F433-E436 PolarHBondContact O-N 3.2Å; E436-A438 PolarHBondContact O-N 3.38Å; E436-R439 WeakPolarHBondContact O-CB 3.35Å; E436-R439 PolarHBondContact O-N 3.02Å; E436-R439 IonicContact OE1-NH1 2.84Å; E436-R439 IonicContact OE2-NH1 2.68Å; E436-R439 PolarHBondContact OE2-NH1 2.84Å; E436-V440 HydrophobicContact CG-CG2 4.47Å; E436-V440 WeakPolarHBondContact O-CG2 3.43Å; E436-V440 PolarHBondContact O-N 3.13Å
437L93Very high91Very high13 Ų1378.5 Ų78.57%0.06839%0.392CS..Hα-helixtrans-58.3-46.5172.3177.361.3000111.5L357 E361 V364 F433 R439 V440 R441L357-L437 HydrophobicContact CD2-CD1 3.75Å; E361-L437 HydrophobicContact CG-CD1 3.98Å; E361-L437 HydrophobicContact CG-CD2 3.91Å; V364-L437 HydrophobicContact CG2-CD2 4.4Å; F433-L437 VanDerWaalsContact O-CB 3.24Å; F433-L437 WeakPolarHBondContact O-CB 3.42Å; F433-L437 PolarHBondContact O-N 3.35Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 3.41Å; L437-V440 PolarHBondContact O-N 2.98Å; L437-R441 HydrophobicContact CD1-CG 4.35Å; L437-R441 WeakPolarHBondContact O-CB 3.45Å; L437-R441 WeakPolarHBondContact O-CG 3.37Å; L437-R441 PolarHBondContact O-N 3.3Å
438A92.5Very high90.3Very high57 Ų5779.1 Ų79.147%0.47140%0.396SS..Hα-helixtrans-61.9-39.4176.600000111.9E434 A435 E436 A442E434-A438 WeakPolarHBondContact O-CB 3.3Å; E434-A438 PolarHBondContact O-N 2.9Å; A435-A438 PolarHBondContact O-N 2.99Å; E436-A438 PolarHBondContact O-N 3.38Å; A438-A442 WeakPolarHBondContact O-CB 3.39Å; A438-A442 PolarHBondContact O-N 3.01Å
439R93.1Very high89.6Confident166 Ų16678.8 Ų78.863%0.62640%0.397SS*.Hα-helixtrans-64.9-48.5176.9-175.9-170.9175.9-158.5-1.3112.1A435 E436 L437 A442 M443A435-R439 WeakPolarHBondContact O-CB 3.5Å; A435-R439 PolarHBondContact O-N 3.4Å; E436-R439 WeakPolarHBondContact O-CB 3.35Å; E436-R439 PolarHBondContact O-N 3.02Å; E436-R439 IonicContact OE1-NH1 2.84Å; E436-R439 IonicContact OE2-NH1 2.68Å; E436-R439 PolarHBondContact OE2-NH1 2.84Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 3.41Å; R439-A442 PolarHBondContact O-N 3Å; R439-M443 PolarHBondContact O-N 3.46Å
440V91.6Very high88.5Confident17 Ų1780.3 Ų80.310%0.10340%0.404CS..Hα-helixtrans-66.1-39.3179.7178.20000110.7T353 V356 L357 Y360 E436 L437 M443 H444T353-V440 HydrophobicContact CG2-CG1 4.14Å; V356-V440 HydrophobicContact CG1-CG1 4.44Å; L357-V440 HydrophobicContact CD2-CB 4Å; L357-V440 HydrophobicContact CD2-CG1 3.67Å; L357-V440 HydrophobicContact CG-CG1 4.15Å; Y360-V440 HydrophobicContact CE2-CG2 4.22Å; E436-V440 HydrophobicContact CG-CG2 4.47Å; E436-V440 WeakPolarHBondContact O-CG2 3.43Å; E436-V440 PolarHBondContact O-N 3.13Å; L437-V440 PolarHBondContact O-N 2.98Å; V440-M443 PolarHBondContact O-N 2.91Å; V440-H444 WeakPolarHBondContact O-CB 3.43Å; V440-H444 PolarHBondContact O-N 2.96Å
441R91.8Very high87.2Confident100 Ų10081.9 Ų81.938%0.37741%0.41SS..Hα-helixtrans-61.6-46.7173.5-78.4-171-168.1156.90.7112.3L357 E361 L437 M443 H444 E445L357-R441 HydrophobicContact CD1-CG 4.28Å; L357-R441 HydrophobicContact CD2-CB 4.35Å; L357-R441 HydrophobicContact CD2-CG 3.44Å; L357-R441 VanDerWaalsContact CD2-CG 3.44Å; E361-R441 IonicContact OE1-CZ 3.29Å; E361-R441 IonicContact OE1-NE 2.9Å; E361-R441 IonicContact OE1-NH2 2.79Å; E361-R441 PolarHBondContact OE1-NH2 3.24Å; L437-R441 HydrophobicContact CD1-CG 4.35Å; L437-R441 WeakPolarHBondContact O-CB 3.45Å; L437-R441 WeakPolarHBondContact O-CG 3.37Å; L437-R441 PolarHBondContact O-N 3.3Å; R441-M443 VanDerWaalsContact C-N 3.29Å; R441-M443 PolarHBondContact O-N 2.82Å; R441-H444 PolarHBondContact O-N 3.45Å; R441-E445 WeakPolarHBondContact O-CB 3.21Å; R441-E445 WeakPolarHBondContact O-CG 3.38Å; R441-E445 PolarHBondContact O-N 3.19Å
442A90.9Very high85.6Confident55 Ų5577.7 Ų77.746%0.45540%0.403SS..Hα-helixtrans-62-38.9178.700000112A438 R439 A446A438-A442 WeakPolarHBondContact O-CB 3.39Å; A438-A442 PolarHBondContact O-N 3.01Å; R439-A442 PolarHBondContact O-N 3Å; A442-A446 WeakPolarHBondContact O-CB 3.35Å; A442-A446 PolarHBondContact O-N 3.49Å
443M87.6Confident83.9Confident105 Ų10577.4 Ų77.452%0.51740%0.402SS..Hα-helixtrans-64.9-44.3174.7-165.8175.778.900111.4R439 V440 R441 A446 D447R439-M443 PolarHBondContact O-N 3.46Å; V440-M443 PolarHBondContact O-N 2.91Å; R441-M443 VanDerWaalsContact C-N 3.29Å; R441-M443 PolarHBondContact O-N 2.82Å; M443-A446 PolarHBondContact O-N 3.47Å; M443-D447 VanDerWaalsContact O-CG 3.31Å; M443-D447 PolarHBondContact O-N 2.88Å
444H86.7Confident82Confident32 Ų3279.8 Ų79.815%0.14841%0.414CS..Hα-helixtrans-63.9-41.5176.6177.7-83.6000112.8F350 T353 V440 R441 D447 M448F350-H444 AromaticContact CD2-NE2 3.34Å; F350-H444 VanDerWaalsContact CD2-NE2 3.34Å; F350-H444 WeakPolarHBondContact CD2-NE2 3.47Å; F350-H444 AromaticContact CE2-CE1 3.51Å; F350-H444 AromaticContact CE2-NE2 3.1Å; F350-H444 WeakPolarHBondContact CE2-NE2 3.29Å; F350-H444 AromaticContact CZ-NE2 4Å; T353-H444 HydrophobicContact CG2-CB 3.89Å; T353-H444 VanDerWaalsContact CG2-CD2 3.43Å; T353-H444 WeakPolarHBondContact CG2-CD2 3.36Å; V440-H444 WeakPolarHBondContact O-CB 3.43Å; V440-H444 PolarHBondContact O-N 2.96Å; R441-H444 PolarHBondContact O-N 3.45Å; H444-D447 PolarHBondContact O-N 3.5Å; H444-M448 WeakPolarHBondContact O-CB 3.42Å; H444-M448 VanDerWaalsContact O-CG 3.22Å; H444-M448 WeakPolarHBondContact O-CG 3.44Å; H444-M448 PolarHBondContact O-N 3.22Å
445E86Confident80Confident117 Ų11783.6 Ų83.655%0.54743%0.429SS..Hα-helixtrans-62.8-43.5174.9-75.9171.7-172.700111.2R441 D447 M448 D449R441-E445 WeakPolarHBondContact O-CB 3.21Å; R441-E445 WeakPolarHBondContact O-CG 3.38Å; R441-E445 PolarHBondContact O-N 3.19Å; E445-D447 PolarHBondContact O-N 2.84Å; E445-M448 PolarHBondContact O-N 2.98Å; E445-D449 PolarHBondContact O-N 3.38Å
446A84.9Confident77.7Confident55 Ų5588.6 Ų88.646%0.45544%0.443SS..Hα-helixtrans-63-41.3175.600000112.7A442 M443 M448 D449 H450A442-A446 WeakPolarHBondContact O-CB 3.35Å; A442-A446 PolarHBondContact O-N 3.49Å; M443-A446 PolarHBondContact O-N 3.47Å; A446-M448 VanDerWaalsContact C-N 3.31Å; A446-M448 PolarHBondContact O-N 2.93Å; A446-D449 PolarHBondContact O-N 3.45Å; A446-H450 WeakPolarHBondContact O-CB 3.36Å; A446-H450 PolarHBondContact O-N 3.18Å
447D82Confident75.3Confident91 Ų9194 Ų9449%0.48747%0.468SS..Hα-helixtrans-63.2-38.8175.6-72.2-20.6000111.3M443 H444 E445 Y451M443-D447 VanDerWaalsContact O-CG 3.31Å; M443-D447 PolarHBondContact O-N 2.88Å; H444-D447 PolarHBondContact O-N 3.5Å; E445-D447 PolarHBondContact O-N 2.84Å; D447-Y451 WeakPolarHBondContact O-CB 3.3Å; D447-Y451 PolarHBondContact O-N 3.33Å
448M78.8Confident72.8Confident86 Ų8697.7 Ų97.742%0.42449%0.494SS..Hα-helixtrans-69.2-41177.2-73.2-64.1-64.600112.9F350 H444 E445 A446 Y451 S452F350-M448 HydrophobicContact CD2-SD 3.86Å; F350-M448 HydrophobicContact CE2-CE 4.31Å; F350-M448 HydrophobicContact CE2-SD 3.74Å; H444-M448 WeakPolarHBondContact O-CB 3.42Å; H444-M448 VanDerWaalsContact O-CG 3.22Å; H444-M448 WeakPolarHBondContact O-CG 3.44Å; H444-M448 PolarHBondContact O-N 3.22Å; E445-M448 PolarHBondContact O-N 2.98Å; A446-M448 VanDerWaalsContact C-N 3.31Å; A446-M448 PolarHBondContact O-N 2.93Å; M448-Y451 WeakPolarHBondContact O-CB 3.43Å; M448-Y451 PolarHBondContact O-N 3.36Å; M448-S452 PolarHBondContact O-N 3.46Å
449D77.2Confident70.1Confident101 Ų101101.5 Ų101.554%0.5451%0.507SS..Hα-helixtrans-62.5-47.4176.1-76-16.5000110.4E445 A446 Y451 S452 E453E445-D449 PolarHBondContact O-N 3.38Å; A446-D449 PolarHBondContact O-N 3.45Å; D449-Y451 VanDerWaalsContact C-N 3.26Å; D449-Y451 PolarHBondContact O-N 2.8Å; D449-S452 WeakPolarHBondContact O-CB 3.24Å; D449-S452 PolarHBondContact O-N 3.43Å; D449-S452 PolarHBondContact O-OG 3.47Å; D449-E453 PolarHBondContact O-N 2.94Å; D449-E453 VanDerWaalsContact O-N 3.07Å
450H71.6Confident67.2Low105 Ų105103 Ų10349%0.48652%0.521SS..Hα-helixtrans-59.6-36.7175.5-174.5-89.4000112.2A446 E453 Q454A446-H450 WeakPolarHBondContact O-CB 3.36Å; A446-H450 PolarHBondContact O-N 3.18Å; H450-E453 PolarHBondContact O-N 3.07Å; H450-Q454 PolarHBondContact CE1-NE2 3.25Å; H450-Q454 PolarHBondContact O-N 3.46Å; H450-Q454 VanDerWaalsContact O-N 3.14Å
451Y64.3Low64.4Low77 Ų77108.1 Ų108.130%0.30256%0.556SS.*Hα-helixtrans-68.4-35.2175.1-134.1-86000113N346 D447 M448 D449 K455N346-Y451 HydrophobicContact CB-CE2 4.09Å; N346-Y451 WeakPolarHBondContact CB-OH 3.42Å; N346-Y451 VanDerWaalsContact CG-OH 3.3Å; N346-Y451 WeakPolarHBondContact ND2-CE2 3.39Å; N346-Y451 PolarHBondContact ND2-OH 2.94Å; N346-Y451 WeakPolarHBondContact OD1-CE2 3.33Å; D447-Y451 WeakPolarHBondContact O-CB 3.3Å; D447-Y451 PolarHBondContact O-N 3.33Å; M448-Y451 WeakPolarHBondContact O-CB 3.43Å; M448-Y451 PolarHBondContact O-N 3.36Å; D449-Y451 VanDerWaalsContact C-N 3.26Å; D449-Y451 PolarHBondContact O-N 2.8Å; Y451-K455 PolarHBondContact O-N 2.96Å
452S60.3Low61.6Low62 Ų62112.3 Ų112.343%0.43458%0.58SS.*Hα-helixtrans-68.6-35.6177.481.40000112.1M448 D449M448-S452 PolarHBondContact O-N 3.46Å; D449-S452 WeakPolarHBondContact O-CB 3.24Å; D449-S452 PolarHBondContact O-N 3.43Å; D449-S452 PolarHBondContact O-OG 3.47Å
453E57.2Low58.9Low129 Ų129116.9 Ų116.960%0.60360%0.596SS**Hα-helixtrans-69.4-45175.7-69.218016900111.4D449 H450 K455 Q456 E457D449-E453 PolarHBondContact O-N 2.94Å; D449-E453 VanDerWaalsContact O-N 3.07Å; H450-E453 PolarHBondContact O-N 3.07Å; E453-K455 VanDerWaalsContact C-N 3.31Å; E453-K455 PolarHBondContact O-N 2.94Å; E453-Q456 PolarHBondContact O-N 3.42Å; E453-E457 PolarHBondContact O-N 3.26Å
454Q54.1Low56.3Low106 Ų106120.7 Ų120.750%0.49561%0.613SS.*Hα-helixtrans-63.2-32.7177.5-76.4-168.1-7.500113.9H450 Q456 E457H450-Q454 PolarHBondContact CE1-NE2 3.25Å; H450-Q454 PolarHBondContact O-N 3.46Å; H450-Q454 VanDerWaalsContact O-N 3.14Å; Q454-Q456 PolarHBondContact O-N 2.86Å; Q454-E457 PolarHBondContact O-N 2.89Å
455K50.5Low53.7Low159 Ų159123.2 Ų123.269%0.69164%0.639SS**Hα-helixtrans-65.5-26174.7-100.6-174.7177.6177.60113.1Y451 E453Y451-K455 PolarHBondContact O-N 2.96Å; E453-K455 VanDerWaalsContact C-N 3.31Å; E453-K455 PolarHBondContact O-N 2.94Å
456Q44.8Very low51.2Low165 Ų165124.2 Ų124.277%0.77165%0.653SS**Hα-helixtrans-80.6-24.5178.1-69.9-176.71.100112.8E453 Q454E453-Q456 PolarHBondContact O-N 3.42Å; Q454-Q456 PolarHBondContact O-N 2.86Å
457E43.1Very low48.8Very low176 Ų176128.5 Ų128.582%0.82267%0.668SS**Hα-helixtrans-85.6-7.4178.7-102.3-177169.200114.5E453 Q454E453-E457 PolarHBondContact O-N 3.26Å; Q454-E457 PolarHBondContact O-N 2.89Å
458S39.7Very low46.5Very low90 Ų90131 Ų13163%0.62968%0.682SS**  trans-87.2-4.1-173-178.10000115.4
459D36.1Very low44.4Very low138 Ų138132.1 Ų132.174%0.73869%0.693SS**SBendtrans-90.1114.5174.9-73.2-22.9000108.8
460E31.5Very low42.3Very low197 Ų197133.7 Ų133.792%0.92170%0.702SS**  trans95.379174.2-51.4-177.7178.100117
461C33.7Very low40.8Very low125 Ų125136.5 Ų136.585%0.84572%0.715SS**  trans-97.4102.5153-163.70000108L463C461-L463 PolarHBondContact O-N 3.05Å
462E32.1Very low39.6Very low187 Ų187138.2 Ų138.287%0.87473%0.729SS**  trans-59.7120.6173.6-130.3178.1179.800109E464E462-E464 PolarHBondContact O-N 3.32Å; E462-E464 VanDerWaalsContact O-N 3.09Å
463L35.6Very low38.8Very low151 Ų151142.3 Ų142.379%0.79175%0.746SS**  trans-68.6107.1177.2-73.5163.2000108.8C461 A465C461-L463 PolarHBondContact O-N 3.05Å; L463-A465 PolarHBondContact O-N 3.46Å
464E32.1Very low38Very low186 Ų186147.6 Ų147.687%0.86976%0.76SS**  trans-58.9124.2170.2-71.2-166.8166.900109.9E462 V466E462-E464 PolarHBondContact O-N 3.32Å; E462-E464 VanDerWaalsContact O-N 3.09Å; E464-V466 PolarHBondContact O-N 2.98Å; E464-V466 VanDerWaalsContact O-N 3.16Å
465A31.8Very low37.3Very low85 Ų85148 Ų14870%0.70276%0.762SS**  trans-64.4114.8174.700000109.2L463 N467L463-A465 PolarHBondContact O-N 3.46Å; A465-N467 PolarHBondContact O-N 3.4Å
466V33.8Very low37.3Very low138 Ų138143.3 Ų143.384%0.83675%0.749SS**  trans-64.3105.9170.7-174.10000107E464 N468E464-V466 PolarHBondContact O-N 2.98Å; E464-V466 VanDerWaalsContact O-N 3.16Å; V466-N468 PolarHBondContact O-N 2.65Å
467N34Very low37.7Very low145 Ų145141.1 Ų141.178%0.77574%0.737SS**  trans-57.9134.4177.6-80.3-43.9000110.3A465 V469A465-N467 PolarHBondContact O-N 3.4Å; N467-V469 PolarHBondContact O-N 3.04Å
468N34Very low38.1Very low143 Ų143138.8 Ų138.877%0.76573%0.726SS**  trans-41.5122.8176.3-65.6-26.8000112V466 D470V466-N468 PolarHBondContact O-N 2.65Å; N468-D470 VanDerWaalsContact C-N 3.26Å; N468-D470 PolarHBondContact O-N 3.06Å; N468-D470 VanDerWaalsContact O-N 3.13Å
469V35.4Very low39Very low110 Ų110138.4 Ų138.467%0.66772%0.717SS**  trans-84.279.6165.5-169.40000107N467N467-V469 PolarHBondContact O-N 3.04Å
470D33.4Very low40.5Very low134 Ų134133.4 Ų133.472%0.71769%0.692SS**  trans-77.3125.7158.7-102.4-39.8000107.9N468N468-D470 VanDerWaalsContact C-N 3.26Å; N468-D470 PolarHBondContact O-N 3.06Å; N468-D470 VanDerWaalsContact O-N 3.13Å
471E39.6Very low42.5Very low163 Ų163127.7 Ų127.776%0.76267%0.667SS**  trans153.317.9139.2-146.366-148.600114.8
472D38.8Very low44.4Very low114 Ų114126.8 Ų126.861%0.6165%0.65SS**  trans-97.25.1-173.3-84.7-20.4000117.5R474 Q475D472-R474 PolarHBondContact O-N 3.23Å; D472-Q475 PolarHBondContact O-N 3.3Å
473L44.2Very low46.8Very low148 Ų148120.8 Ų120.878%0.77562%0.624SS**THydrogen-bonded Turntrans-72.5-4.7-173.2-89148000115.8
474R40.1Very low49.2Very low240 Ų240114.2 Ų114.291%0.90659%0.59SS**THydrogen-bonded Turntrans-105.3-21.5174.5-75.4-172-178.8-1713.6114.7D472D472-R474 PolarHBondContact O-N 3.23Å
475Q39.1Very low51.9Low114 Ų114108.2 Ų108.253%0.53357%0.572SS.*THydrogen-bonded Turntrans-72.4-30.5175-111.986.4-5.900112.4D472 K477 Q478 D479D472-Q475 PolarHBondContact O-N 3.3Å; Q475-K477 VanDerWaalsContact C-N 3.32Å; Q475-K477 PolarHBondContact O-N 2.97Å; Q475-Q478 PolarHBondContact O-N 3.35Å; Q475-D479 PolarHBondContact O-N 3.17Å
476S51.3Low54.7Low60 Ų60107.9 Ų107.942%0.4256%0.561SS.*Hα-helixtrans-54.2-34.4-168.4117.80000116.2T480S476-T480 WeakPolarHBondContact O-CB 3.46Å; S476-T480 PolarHBondContact O-N 3.23Å; S476-T480 VanDerWaalsContact O-N 3.13Å; S476-T480 PolarHBondContact O-OG1 2.87Å
477K52Low57.4Low119 Ų119103.5 Ų103.552%0.51753%0.53SS..Hα-helixtrans-70.9-42.9-175.8-82.8-169.2177.1-171.20112.3R192 Q475 D481R192-K477 PolarHBondContact NH2-O 3.29Å; Q475-K477 VanDerWaalsContact C-N 3.32Å; Q475-K477 PolarHBondContact O-N 2.97Å; K477-D481 PolarHBondContact O-N 3.44Å
478Q52.5Low60.2Low128 Ų12898.7 Ų98.760%0.59850%0.504SS*.Hα-helixtrans-72.2-42.1-178.7-172.5176.3-20.400110.1Q475 T480 D481 E482Q475-Q478 PolarHBondContact O-N 3.35Å; Q478-T480 VanDerWaalsContact C-N 3.27Å; Q478-T480 PolarHBondContact O-N 3.01Å; Q478-D481 PolarHBondContact O-N 2.85Å; Q478-D481 VanDerWaalsContact O-N 3.14Å; Q478-E482 HydrophobicContact CG-CG 4.47Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.44Å; Q478-E482 PolarHBondContact NE2-OE1 3.37Å; Q478-E482 WeakPolarHBondContact O-CG 3.44Å; Q478-E482 PolarHBondContact O-N 3.49Å
479D58.2Low63.1Low82 Ų8299.3 Ų99.344%0.43950%0.5SS..Hα-helixtrans-59.2-40176.6-59-21.5000111.8Q475 E482 D483Q475-D479 PolarHBondContact O-N 3.17Å; D479-E482 PolarHBondContact O-N 2.9Å; D479-D483 VanDerWaalsContact O-CB 3.27Å; D479-D483 WeakPolarHBondContact O-CB 3.48Å; D479-D483 PolarHBondContact O-N 2.9Å
480T68.4Low65.8Low33 Ų3399 Ų9920%0.20249%0.493CS..Hα-helixtrans-67.3-40177.5-49.80000111.9S476 Q478 D483 H484S476-T480 WeakPolarHBondContact O-CB 3.46Å; S476-T480 PolarHBondContact O-N 3.23Å; S476-T480 VanDerWaalsContact O-N 3.13Å; S476-T480 PolarHBondContact O-OG1 2.87Å; Q478-T480 VanDerWaalsContact C-N 3.27Å; Q478-T480 PolarHBondContact O-N 3.01Å; T480-D483 PolarHBondContact O-N 2.89Å; T480-H484 PolarHBondContact O-CD2 3.47Å; T480-H484 VanDerWaalsContact O-CG 3.23Å; T480-H484 PolarHBondContact O-N 2.94Å
481D72.4Confident68.8Low76 Ų7693.6 Ų93.641%0.40647%0.465SS..Hα-helixtrans-69.3-38.9178.1-70.7-25.8000111.5R192 K477 Q478 H484 A485R192-D481 IonicContact CZ-OD1 2.8Å; R192-D481 IonicContact CZ-OD2 3.15Å; R192-D481 IonicContact NE-OD1 2.59Å; R192-D481 PolarHBondContact NE-OD1 2.97Å; R192-D481 IonicContact NH2-OD1 3.01Å; R192-D481 PolarHBondContact NH2-OD1 3.39Å; R192-D481 IonicContact NH2-OD2 2.78Å; R192-D481 PolarHBondContact NH2-OD2 3.19Å; K477-D481 PolarHBondContact O-N 3.44Å; Q478-D481 PolarHBondContact O-N 2.85Å; Q478-D481 VanDerWaalsContact O-N 3.14Å; D481-H484 PolarHBondContact O-N 2.9Å; D481-A485 WeakPolarHBondContact O-CB 3.39Å; D481-A485 PolarHBondContact O-N 3.33Å
482E73.6Confident71.4Confident106 Ų10690.8 Ų90.850%0.49545%0.447SS..Hα-helixtrans-65.6-38.6174.1-71.2-178.7-166.100111.8Q478 D479 A485 T486Q478-E482 HydrophobicContact CG-CG 4.47Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.44Å; Q478-E482 PolarHBondContact NE2-OE1 3.37Å; Q478-E482 WeakPolarHBondContact O-CG 3.44Å; Q478-E482 PolarHBondContact O-N 3.49Å; D479-E482 PolarHBondContact O-N 2.9Å; E482-A485 PolarHBondContact O-N 2.88Å; E482-T486 WeakPolarHBondContact O-CB 3.3Å; E482-T486 PolarHBondContact O-N 3.41Å; E482-T486 PolarHBondContact O-OG1 3.4Å
483D83Confident74Confident61 Ų6191.6 Ų91.633%0.32645%0.447SS..Hα-helixtrans-62.9-47.9173-177.241.4000111.4D479 T480 A485 T486 R487D479-D483 VanDerWaalsContact O-CB 3.27Å; D479-D483 WeakPolarHBondContact O-CB 3.48Å; D479-D483 PolarHBondContact O-N 2.9Å; T480-D483 PolarHBondContact O-N 2.89Å; D483-A485 PolarHBondContact O-N 3.48Å; D483-T486 PolarHBondContact O-N 2.9Å; D483-R487 WeakPolarHBondContact O-CB 3.33Å; D483-R487 VanDerWaalsContact O-CG 3.26Å; D483-R487 WeakPolarHBondContact O-CG 3.45Å; D483-R487 PolarHBondContact O-N 2.69Å; D483-R487 IonicContact OD1-CZ 2.65Å; D483-R487 IonicContact OD1-NE 3.4Å; D483-R487 PolarHBondContact OD1-NE 3.44Å; D483-R487 IonicContact OD1-NH2 3.61Å; D483-R487 PolarHBondContact OD1-NH2 3.09Å; D483-R487 IonicContact OD2-CZ 3.61Å; D483-R487 IonicContact OD2-NE 2.7Å; D483-R487 PolarHBondContact OD2-NE 3.2Å; D483-R487 IonicContact OD2-NH2 3.46Å; D483-R487 PolarHBondContact OD2-NH2 3.37Å
484H86.8Confident76.4Confident13 Ų1388 Ų886%0.0643%0.429CS..Hα-helixtrans-58.9-47.3175.6-70.3173.6000112.4Y128 E189 T480 D481 T486 R487 L488Y128-H484 PolarHBondContact OH-NE2 2.94Å; Y128-H484 VanDerWaalsContact OH-NE2 3.14Å; E189-H484 IonicContact OE2-CE1 2.7Å; E189-H484 PolarHBondContact OE2-CE1 3.11Å; E189-H484 IonicContact OE2-NE2 3.59Å; T480-H484 PolarHBondContact O-CD2 3.47Å; T480-H484 VanDerWaalsContact O-CG 3.23Å; T480-H484 PolarHBondContact O-N 2.94Å; D481-H484 PolarHBondContact O-N 2.9Å; H484-T486 VanDerWaalsContact C-N 3.3Å; H484-T486 PolarHBondContact O-N 3.33Å; H484-R487 PolarHBondContact O-N 2.93Å; H484-L488 WeakPolarHBondContact O-CB 3.5Å; H484-L488 VanDerWaalsContact O-CG 3.29Å; H484-L488 WeakPolarHBondContact O-CG 3.36Å; H484-L488 PolarHBondContact O-N 2.87Å
485A88.1Confident79Confident60 Ų6076.6 Ų76.650%0.49639%0.386SS..Hα-helixtrans-60.3-41.9178.800000111.8D481 E482 D483 K489D481-A485 WeakPolarHBondContact O-CB 3.39Å; D481-A485 PolarHBondContact O-N 3.33Å; E482-A485 PolarHBondContact O-N 2.88Å; D483-A485 PolarHBondContact O-N 3.48Å; A485-K489 WeakPolarHBondContact O-CB 3.5Å; A485-K489 PolarHBondContact O-N 3.33Å
486T90.6Very high81.6Confident79 Ų7974.8 Ų74.849%0.48539%0.386SS..Hα-helixtrans-63.5-46177.1-59.60000111.2E482 D483 H484 K489 L490E482-T486 WeakPolarHBondContact O-CB 3.3Å; E482-T486 PolarHBondContact O-N 3.41Å; E482-T486 PolarHBondContact O-OG1 3.4Å; D483-T486 PolarHBondContact O-N 2.9Å; H484-T486 VanDerWaalsContact C-N 3.3Å; H484-T486 PolarHBondContact O-N 3.33Å; T486-K489 WeakPolarHBondContact O-CB 3.31Å; T486-K489 PolarHBondContact O-N 3.41Å; T486-L490 HydrophobicContact CG2-CD1 4.34Å; T486-L490 WeakPolarHBondContact O-CG 3.47Å; T486-L490 PolarHBondContact O-N 3.47Å
487R89.8Confident83.5Confident45 Ų4576.6 Ų76.617%0.1740%0.398CS..Hα-helixtrans-63.4-45.5177.9-71.2167.9-174.8-129.217.2112.6H178 D483 H484 K489 L490 L491H178-R487 PolarHBondContact CE1-NH1 3.49Å; H178-R487 PolarHBondContact CE1-NH2 3.45Å; H178-R487 PolarHBondContact NE2-NH1 3.25Å; D483-R487 WeakPolarHBondContact O-CB 3.33Å; D483-R487 VanDerWaalsContact O-CG 3.26Å; D483-R487 WeakPolarHBondContact O-CG 3.45Å; D483-R487 PolarHBondContact O-N 2.69Å; D483-R487 IonicContact OD1-CZ 2.65Å; D483-R487 IonicContact OD1-NE 3.4Å; D483-R487 PolarHBondContact OD1-NE 3.44Å; D483-R487 IonicContact OD1-NH2 3.61Å; D483-R487 PolarHBondContact OD1-NH2 3.09Å; D483-R487 IonicContact OD2-CZ 3.61Å; D483-R487 IonicContact OD2-NE 2.7Å; D483-R487 PolarHBondContact OD2-NE 3.2Å; D483-R487 IonicContact OD2-NH2 3.46Å; D483-R487 PolarHBondContact OD2-NH2 3.37Å; H484-R487 PolarHBondContact O-N 2.93Å; R487-K489 VanDerWaalsContact C-N 3.27Å; R487-K489 PolarHBondContact O-N 2.96Å; R487-L490 PolarHBondContact O-N 3.38Å; R487-L491 WeakPolarHBondContact O-CB 3.41Å; R487-L491 WeakPolarHBondContact O-CG 3.05Å; R487-L491 PolarHBondContact O-N 3.37Å
488L93.8Very high85.5Confident44 Ų4472.7 Ų72.723%0.2338%0.384CS..Hα-helixtrans-60.3-39.8177.1-71.5174.2000111.1E120 L124 H484 R492E120-L488 HydrophobicContact CB-CD2 4.38Å; E120-L488 HydrophobicContact CG-CD2 4.14Å; L124-L488 HydrophobicContact CB-CD2 4.31Å; L124-L488 HydrophobicContact CD2-CD2 3.77Å; L124-L488 HydrophobicContact CD2-CG 4Å; H484-L488 WeakPolarHBondContact O-CB 3.5Å; H484-L488 VanDerWaalsContact O-CG 3.29Å; H484-L488 WeakPolarHBondContact O-CG 3.36Å; H484-L488 PolarHBondContact O-N 2.87Å; L488-R492 VanDerWaalsContact O-CB 3.24Å; L488-R492 WeakPolarHBondContact O-CB 3.38Å; L488-R492 PolarHBondContact O-N 2.84Å
489K93.7Very high87.5Confident157 Ų15769.4 Ų69.468%0.68337%0.367SS*.Hα-helixtrans-62.5-46.3174.8-174.8-179177.7-175.90112.1A485 T486 R487 R492 Q493A485-K489 WeakPolarHBondContact O-CB 3.5Å; A485-K489 PolarHBondContact O-N 3.33Å; T486-K489 WeakPolarHBondContact O-CB 3.31Å; T486-K489 PolarHBondContact O-N 3.41Å; R487-K489 VanDerWaalsContact C-N 3.27Å; R487-K489 PolarHBondContact O-N 2.96Å; K489-R492 PolarHBondContact O-N 3.46Å; K489-Q493 PolarHBondContact O-N 2.84Å
490L93.6Very high89.1Confident102 Ų10266.9 Ų66.953%0.53435%0.353SS..Hα-helixtrans-64.6-45.1178.1-69.8174.2000111.9T486 R487 R492 Q493 D494T486-L490 HydrophobicContact CG2-CD1 4.34Å; T486-L490 WeakPolarHBondContact O-CG 3.47Å; T486-L490 PolarHBondContact O-N 3.47Å; R487-L490 PolarHBondContact O-N 3.38Å; L490-R492 VanDerWaalsContact C-N 3.35Å; L490-R492 PolarHBondContact O-N 2.93Å; L490-Q493 PolarHBondContact O-N 3.04Å; L490-D494 WeakPolarHBondContact O-CB 3.39Å; L490-D494 PolarHBondContact O-N 3.11Å
491L94.7Very high90.2Very high22 Ų2269.7 Ų69.712%0.11537%0.372CS..Hα-helixtrans-62.1-42176.6-75.3169.9000111.6E120 V123 L124 R487 Q493 D494 L495E120-L491 HydrophobicContact CB-CB 3.82Å; E120-L491 WeakPolarHBondContact O-CD1 3.35Å; V123-L491 HydrophobicContact CB-CD2 4.5Å; V123-L491 HydrophobicContact CG1-CD1 4.38Å; V123-L491 HydrophobicContact CG1-CD2 3.86Å; L124-L491 HydrophobicContact CB-CD1 4.02Å; R487-L491 WeakPolarHBondContact O-CB 3.41Å; R487-L491 WeakPolarHBondContact O-CG 3.05Å; R487-L491 PolarHBondContact O-N 3.37Å; L491-Q493 VanDerWaalsContact C-N 3.33Å; L491-Q493 PolarHBondContact O-N 3.05Å; L491-D494 PolarHBondContact O-N 3.39Å; L491-L495 WeakPolarHBondContact O-CB 3.49Å; L491-L495 VanDerWaalsContact O-CG 3.25Å; L491-L495 WeakPolarHBondContact O-CG 2.76Å; L491-L495 PolarHBondContact O-N 2.89Å
492R93.9Very high91.1Very high103 Ų10373.5 Ų73.539%0.38939%0.392SS..Hα-helixtrans-62.5-41.1176-174.4173.2-179.8173.72.3111.8E120 L488 K489 L490 S496E120-R492 HydrophobicContact CB-CB 4.15Å; E120-R492 HydrophobicContact CG-CB 4.14Å; L488-R492 VanDerWaalsContact O-CB 3.24Å; L488-R492 WeakPolarHBondContact O-CB 3.38Å; L488-R492 PolarHBondContact O-N 2.84Å; K489-R492 PolarHBondContact O-N 3.46Å; L490-R492 VanDerWaalsContact C-N 3.35Å; L490-R492 PolarHBondContact O-N 2.93Å; R492-S496 WeakPolarHBondContact O-CB 3.32Å; R492-S496 PolarHBondContact O-N 3.17Å; R492-S496 VanDerWaalsContact O-N 3.08Å
493Q94.9Very high92Very high132 Ų13273.3 Ų73.362%0.61739%0.39SS*.Hα-helixtrans-64.5-47.1175.9-176.5177.6-1.100111.4K489 L490 L491 L495 S496K489-Q493 PolarHBondContact O-N 2.84Å; L490-Q493 PolarHBondContact O-N 3.04Å; L491-Q493 VanDerWaalsContact C-N 3.33Å; L491-Q493 PolarHBondContact O-N 3.05Å; Q493-L495 PolarHBondContact O-N 3.45Å; Q493-S496 WeakPolarHBondContact O-CB 3.42Å; Q493-S496 PolarHBondContact O-N 2.95Å; Q493-S496 PolarHBondContact O-OG 3.45Å
494D94Very high92.4Very high71 Ų7172.4 Ų72.438%0.3838%0.384SS..Hα-helixtrans-60.2-43.2177.7172.646.4000112.2K170 L490 L491 S496 S497K170-D494 IonicContact NZ-OD1 3.47Å; K170-D494 PolarHBondContact NZ-OD1 3Å; K170-D494 IonicContact NZ-OD2 2.84Å; K170-D494 PolarHBondContact NZ-OD2 3.5Å; L490-D494 WeakPolarHBondContact O-CB 3.39Å; L490-D494 PolarHBondContact O-N 3.11Å; L491-D494 PolarHBondContact O-N 3.39Å; D494-S496 VanDerWaalsContact C-N 3.33Å; D494-S496 PolarHBondContact O-N 2.94Å; D494-S497 PolarHBondContact O-OG 2.91Å
495L94.8Very high92.7Very high2 Ų275.1 Ų75.11%0.0140%0.397CS..Hα-helixtrans-75.2-19.2179.4-69.4173.9000113.9A119 E120 V123 Y160 L162 W167 K170 L491 Q493 S497 V498 R499A119-L495 HydrophobicContact CB-CD1 3.85Å; E120-L495 HydrophobicContact CB-CD1 4.47Å; V123-L495 HydrophobicContact CG2-CD1 4.3Å; Y160-L495 HydrophobicContact CD1-CB 4.24Å; Y160-L495 HydrophobicContact CD1-CD2 4.4Å; Y160-L495 WeakPolarHBondContact CD1-O 3.4Å; Y160-L495 HydrophobicContact CE1-CB 3.73Å; Y160-L495 WeakPolarHBondContact CE1-O 3.44Å; L162-L495 HydrophobicContact CD1-CD2 4.02Å; W167-L495 HydrophobicContact CH2-CD2 3.8Å; W167-L495 HydrophobicContact CZ3-CD1 4.47Å; W167-L495 HydrophobicContact CZ3-CD2 3.65Å; K170-L495 HydrophobicContact CD-CD2 3.81Å; L491-L495 WeakPolarHBondContact O-CB 3.49Å; L491-L495 VanDerWaalsContact O-CG 3.25Å; L491-L495 WeakPolarHBondContact O-CG 2.76Å; L491-L495 PolarHBondContact O-N 2.89Å; Q493-L495 PolarHBondContact O-N 3.45Å; L495-S497 VanDerWaalsContact C-N 3.3Å; L495-S497 PolarHBondContact O-N 3.43Å; L495-V498 WeakPolarHBondContact O-CG2 3.36Å; L495-V498 PolarHBondContact O-N 2.81Å; L495-R499 PolarHBondContact O-N 3.43Å
496S93.2Very high92.9Very high76 Ų7675.6 Ų75.653%0.53140%0.4SS..Hα-helixtrans-61.8-35.1-174.369.80000113.8R492 Q493 D494R492-S496 WeakPolarHBondContact O-CB 3.32Å; R492-S496 PolarHBondContact O-N 3.17Å; R492-S496 VanDerWaalsContact O-N 3.08Å; Q493-S496 WeakPolarHBondContact O-CB 3.42Å; Q493-S496 PolarHBondContact O-N 2.95Å; Q493-S496 PolarHBondContact O-OG 3.45Å; D494-S496 VanDerWaalsContact C-N 3.33Å; D494-S496 PolarHBondContact O-N 2.94Å
497S91.3Very high93.1Very high97 Ų9773.8 Ų73.868%0.67839%0.387SS*.THydrogen-bonded Turntrans-73.8-26.7-176.160.80000113.6D494 L495D494-S497 PolarHBondContact O-OG 2.91Å; L495-S497 VanDerWaalsContact C-N 3.3Å; L495-S497 PolarHBondContact O-N 3.43Å
498V94Very high93.3Very high37 Ų3771.8 Ų71.822%0.22438%0.38CS..THydrogen-bonded Turntrans-1040.8-176.6-650000112.8Y160 N161 L162 L495Y160-V498 CarbonylContact C-O 3.54Å; Y160-V498 WeakPolarHBondContact CA-O 3.31Å; Y160-V498 HydrophobicContact CD1-CG2 4.16Å; N161-V498 PolarHBondContact N-O 3.33Å; L162-V498 HydrophobicContact CD1-CG2 3.9Å; L162-V498 HydrophobicContact CD2-CB 4.13Å; L162-V498 HydrophobicContact CD2-CG1 4.12Å; L162-V498 HydrophobicContact CD2-CG2 3.99Å; L162-V498 HydrophobicContact CG-CB 4.23Å; L162-V498 HydrophobicContact CG-CG2 3.9Å; L495-V498 WeakPolarHBondContact O-CG2 3.36Å; L495-V498 PolarHBondContact O-N 2.81Å
499R94.3Very high93.2Very high60 Ų6074.4 Ų74.423%0.22639%0.393CS..BIsolated β-bridgetrans-71.4140.7178.2-163.2170.3-170-162-2.7111.4Y160 L495 P501 E512Y160-R499 HydrophobicContact CD1-CB 3.72Å; Y160-R499 HydrophobicContact CD1-CG 3.92Å; Y160-R499 HydrophobicContact CE1-CB 3.54Å; Y160-R499 HydrophobicContact CE1-CG 3.49Å; Y160-R499 VanDerWaalsContact CE1-CG 3.49Å; Y160-R499 HydrophobicContact CE2-CG 4.4Å; Y160-R499 PolarHBondContact OH-NE 3Å; L495-R499 PolarHBondContact O-N 3.43Å; R499-P501 WeakPolarHBondContact O-CD 3.28Å; R499-E512 IonicContact CZ-OE1 3.56Å; R499-E512 IonicContact NH1-OE1 3.21Å; R499-E512 PolarHBondContact NH1-OE1 3.43Å; R499-E512 IonicContact NH2-OE1 3.51Å; R499-E512 PolarHBondContact NH2-OE1 3.18Å
500N93Very high93.2Very high28 Ų2868.6 Ų68.615%0.1537%0.368CS..  trans-109102.1179.1-170-24.9000110.8Q159 N161 N502 K503Q159-N500 WeakPolarHBondContact O-CB 3.49Å; Q159-N500 PolarHBondContact O-N 3.04Å; N161-N500 PolarHBondContact OD1-ND2 2.96Å; N161-N500 VanDerWaalsContact OD1-ND2 3.11Å; N500-N502 PolarHBondContact O-N 2.91Å; N500-N502 VanDerWaalsContact O-N 3.13Å; N500-N502 PolarHBondContact OD1-N 3.38Å; N500-K503 HydrophobicContact CB-CD 4.4Å; N500-K503 HydrophobicContact CB-CG 4.46Å; N500-K503 PolarHBondContact O-N 3.38Å; N500-K503 VanDerWaalsContact O-N 3.09Å
501P90Very high93.3Very high93 Ų9365.3 Ų65.360%0.60435%0.349SS*.G310 helixtrans-58.1-29.3-177.4-2635.1000114.1R499 K503 M504R499-P501 WeakPolarHBondContact O-CD 3.28Å; P501-K503 PolarHBondContact O-N 3.2Å; P501-M504 PolarHBondContact O-N 2.98Å
502N92.4Very high93.2Very high155 Ų15566.9 Ų66.983%0.82936%0.356SS*.G310 helixtrans-73-11.8-178-64-35.5000113.6N500N500-N502 PolarHBondContact O-N 2.91Å; N500-N502 VanDerWaalsContact O-N 3.13Å; N500-N502 PolarHBondContact OD1-N 3.38Å
503K92.7Very high93.2Very high102 Ų10265.4 Ų65.444%0.44336%0.356SS..G310 helixtrans-107.65179.6-64.9-174.5179.5179.20113E158 Q159 N500 P501E158-K503 WeakPolarHBondContact O-CD 3.18Å; E158-K503 PolarHBondContact O-NZ 3.05Å; E158-K503 VanDerWaalsContact O-NZ 3.11Å; Q159-K503 WeakPolarHBondContact CG-O 3.48Å; N500-K503 HydrophobicContact CB-CD 4.4Å; N500-K503 HydrophobicContact CB-CG 4.46Å; N500-K503 PolarHBondContact O-N 3.38Å; N500-K503 VanDerWaalsContact O-N 3.09Å; P501-K503 PolarHBondContact O-N 3.2Å
504M91.4Very high93.1Very high42 Ų4259.7 Ų59.721%0.20733%0.329CS..  trans-67.1137.3174.5-69.6-178.760.600110.6P501 D508 I509 E512P501-M504 PolarHBondContact O-N 2.98Å; M504-D508 HydrophobicContact CB-CB 4.48Å; M504-D508 HydrophobicContact CE-CB 3.97Å; M504-I509 HydrophobicContact CE-CG1 4.02Å; M504-E512 VanDerWaalsContact CE-OE1 3.22Å; M504-E512 WeakPolarHBondContact CE-OE1 3.44Å
505Q91.8Very high93Very high71 Ų7158.3 Ų58.333%0.33232%0.324SS..  trans-90.2163.3174.8-56.3-177.6-16.400109.7N155 I507 D508 I509N155-Q505 VanDerWaalsContact CG-NE2 3.25Å; N155-Q505 PolarHBondContact ND2-OE1 3.4Å; N155-Q505 PolarHBondContact OD1-NE2 2.92Å; Q505-I507 HydrophobicContact CB-CG2 4.12Å; Q505-I507 PolarHBondContact O-N 3.05Å; Q505-D508 WeakPolarHBondContact CA-OD2 3.41Å; Q505-D508 VanDerWaalsContact CB-OD2 3.24Å; Q505-D508 WeakPolarHBondContact CB-OD2 3.47Å; Q505-D508 PolarHBondContact N-OD2 3.17Å; Q505-D508 WeakPolarHBondContact O-CB 3.49Å; Q505-D508 PolarHBondContact O-N 3.15Å; Q505-I509 PolarHBondContact O-N 2.9Å
506A93.3Very high92.9Very high69 Ų6962.7 Ų62.757%0.5735%0.354SS*.Hα-helixtrans-56.3-35.7177.900000112.6D508 I509 Q510A506-D508 VanDerWaalsContact C-N 3.34Å; A506-D508 PolarHBondContact O-N 3.24Å; A506-I509 PolarHBondContact O-N 3.47Å; A506-Q510 VanDerWaalsContact O-CG 3.3Å; A506-Q510 WeakPolarHBondContact O-CG 3.32Å; A506-Q510 PolarHBondContact O-N 2.87Å
507I94.1Very high92.9Very high41 Ų4165.3 Ų65.321%0.2136%0.356CS..Hα-helixtrans-66.9-32.7178-166.2165000112.5Y116 M199 L233 Q505 Q510 Y511Y116-I507 HydrophobicContact CD2-CB 4.4Å; Y116-I507 HydrophobicContact CD2-CD1 3.8Å; Y116-I507 HydrophobicContact CD2-CG1 3.77Å; Y116-I507 HydrophobicContact CD2-CG2 3.79Å; Y116-I507 HydrophobicContact CE2-CG1 4.22Å; Y116-I507 HydrophobicContact CE2-CG2 3.84Å; Y116-I507 HydrophobicContact CG-CD1 3.93Å; Y116-I507 HydrophobicContact CG-CG1 4.07Å; M199-I507 HydrophobicContact SD-CD1 4.27Å; L233-I507 HydrophobicContact CD1-CG1 3.77Å; L233-I507 WeakPolarHBondContact CD1-O 3.46Å; L233-I507 HydrophobicContact CD2-CD1 4.04Å; L233-I507 HydrophobicContact CD2-CG1 4.06Å; L233-I507 HydrophobicContact CG-CD1 4.27Å; L233-I507 HydrophobicContact CG-CG1 3.9Å; Q505-I507 HydrophobicContact CB-CG2 4.12Å; Q505-I507 PolarHBondContact O-N 3.05Å; I507-Q510 PolarHBondContact O-N 2.75Å; I507-Y511 WeakPolarHBondContact O-CB 3.3Å; I507-Y511 PolarHBondContact O-N 2.86Å
508D93.5Very high92.9Very high3 Ų362.3 Ų62.32%0.01634%0.341CS..Hα-helixtrans-69.4-41.1176.2-54.8-70.1000111.5Y116 Q159 M504 Q505 A506 Q510 Y511 E512Y116-D508 WeakPolarHBondContact CE2-OD1 3.49Å; Y116-D508 PolarHBondContact OH-OD1 3.43Å; Q159-D508 PolarHBondContact NE2-OD1 2.77Å; Q159-D508 VanDerWaalsContact NE2-OD1 3.15Å; Q159-D508 PolarHBondContact NE2-OD2 3.12Å; M504-D508 HydrophobicContact CB-CB 4.48Å; M504-D508 HydrophobicContact CE-CB 3.97Å; Q505-D508 WeakPolarHBondContact CA-OD2 3.41Å; Q505-D508 VanDerWaalsContact CB-OD2 3.24Å; Q505-D508 WeakPolarHBondContact CB-OD2 3.47Å; Q505-D508 PolarHBondContact N-OD2 3.17Å; Q505-D508 WeakPolarHBondContact O-CB 3.49Å; Q505-D508 PolarHBondContact O-N 3.15Å; A506-D508 VanDerWaalsContact C-N 3.34Å; A506-D508 PolarHBondContact O-N 3.24Å; D508-Q510 VanDerWaalsContact C-N 3.3Å; D508-Q510 PolarHBondContact O-N 2.82Å; D508-Y511 PolarHBondContact O-N 3.49Å; D508-E512 WeakPolarHBondContact O-CG 3.37Å; D508-E512 PolarHBondContact O-N 3.43Å
509I93.4Very high92.8Very high100 Ų10063.5 Ų63.551%0.51335%0.345SS..Hα-helixtrans-63.5-41176.9-61.2169.9000109.9M504 Q505 A506 E512 D513M504-I509 HydrophobicContact CE-CG1 4.02Å; Q505-I509 PolarHBondContact O-N 2.9Å; A506-I509 PolarHBondContact O-N 3.47Å; I509-E512 PolarHBondContact O-N 3.41Å; I509-D513 WeakPolarHBondContact O-CB 3.47Å; I509-D513 PolarHBondContact O-N 3.02Å
510Q93.7Very high92.6Very high34 Ų3463.2 Ų63.216%0.15935%0.348CS..Hα-helixtrans-64.8-43.3175.4-72.4170.12.100112.2D230 L233 A506 I507 D508 E512 D513 I514D230-Q510 PolarHBondContact O-NE2 2.83Å; D230-Q510 PolarHBondContact O-OE1 3.38Å; L233-Q510 HydrophobicContact CD1-CB 4.17Å; A506-Q510 VanDerWaalsContact O-CG 3.3Å; A506-Q510 WeakPolarHBondContact O-CG 3.32Å; A506-Q510 PolarHBondContact O-N 2.87Å; I507-Q510 PolarHBondContact O-N 2.75Å; D508-Q510 VanDerWaalsContact C-N 3.3Å; D508-Q510 PolarHBondContact O-N 2.82Å; Q510-E512 VanDerWaalsContact C-N 3.32Å; Q510-E512 PolarHBondContact O-N 2.75Å; Q510-D513 PolarHBondContact O-N 3.35Å; Q510-I514 WeakPolarHBondContact O-CD1 3.25Å; Q510-I514 VanDerWaalsContact O-CG1 3.25Å; Q510-I514 WeakPolarHBondContact O-CG1 3.47Å; Q510-I514 PolarHBondContact O-N 3.37Å
511Y94.3Very high92.5Very high34 Ų3463.3 Ų63.313%0.13335%0.347CS..Hα-helixtrans-59.3-45.3175.5176.8-105.4000111.1Y116 P118 I507 D508 D513 I514 V515Y116-Y511 HydrophobicContact CD1-CD2 4.31Å; Y116-Y511 HydrophobicContact CD1-CG 4.48Å; Y116-Y511 HydrophobicContact CE1-CD1 4Å; Y116-Y511 AromaticContact CE1-CD2 3.65Å; Y116-Y511 HydrophobicContact CE1-CD2 3.65Å; Y116-Y511 HydrophobicContact CE1-CE2 4.34Å; Y116-Y511 AromaticContact CE1-CG 3.46Å; Y116-Y511 HydrophobicContact CE1-CG 3.46Å; Y116-Y511 VanDerWaalsContact CE1-CG 3.46Å; P118-Y511 HydrophobicContact CB-CD1 4.22Å; P118-Y511 HydrophobicContact CB-CE1 3.63Å; P118-Y511 HydrophobicContact CG-CE1 3.91Å; P118-Y511 HydrophobicContact CG-CE2 4.47Å; I507-Y511 WeakPolarHBondContact O-CB 3.3Å; I507-Y511 PolarHBondContact O-N 2.86Å; D508-Y511 PolarHBondContact O-N 3.49Å; Y511-D513 PolarHBondContact O-N 3.38Å; Y511-I514 WeakPolarHBondContact O-CB 3.46Å; Y511-I514 PolarHBondContact O-N 2.96Å; Y511-V515 HydrophobicContact CD1-CG2 4.29Å; Y511-V515 HydrophobicContact CD2-CG2 4.26Å; Y511-V515 HydrophobicContact CE1-CG2 3.84Å; Y511-V515 HydrophobicContact CE2-CG2 3.81Å; Y511-V515 HydrophobicContact CG-CG2 4.48Å; Y511-V515 WeakPolarHBondContact O-CG2 3.22Å; Y511-V515 PolarHBondContact O-N 3.46Å
512E92.9Very high92.6Very high55 Ų5563 Ų6326%0.25733%0.334SS..Hα-helixtrans-63.1-40.9176.7-76.4-179.3-169.900113.4R499 M504 D508 I509 Q510 I514 V515 S516R499-E512 IonicContact CZ-OE1 3.56Å; R499-E512 IonicContact NH1-OE1 3.21Å; R499-E512 PolarHBondContact NH1-OE1 3.43Å; R499-E512 IonicContact NH2-OE1 3.51Å; R499-E512 PolarHBondContact NH2-OE1 3.18Å; M504-E512 VanDerWaalsContact CE-OE1 3.22Å; M504-E512 WeakPolarHBondContact CE-OE1 3.44Å; D508-E512 WeakPolarHBondContact O-CG 3.37Å; D508-E512 PolarHBondContact O-N 3.43Å; I509-E512 PolarHBondContact O-N 3.41Å; Q510-E512 VanDerWaalsContact C-N 3.32Å; Q510-E512 PolarHBondContact O-N 2.75Å; E512-I514 VanDerWaalsContact C-N 3.34Å; E512-V515 PolarHBondContact O-N 3.02Å; E512-S516 WeakPolarHBondContact O-CB 3.42Å; E512-S516 PolarHBondContact O-N 3.2Å; E512-S516 PolarHBondContact O-OG 3.35Å
513D94.2Very high92.6Very high72 Ų7261.7 Ų61.739%0.38532%0.317SS..Hα-helixtrans-60.4-44.6174.8176.467000111.2I509 Q510 Y511 S516 K517I509-D513 WeakPolarHBondContact O-CB 3.47Å; I509-D513 PolarHBondContact O-N 3.02Å; Q510-D513 PolarHBondContact O-N 3.35Å; Y511-D513 PolarHBondContact O-N 3.38Å; D513-S516 PolarHBondContact O-N 3.26Å; D513-S516 PolarHBondContact O-OG 2.84Å; D513-K517 WeakPolarHBondContact O-CG 3.24Å; D513-K517 PolarHBondContact O-N 2.86Å; D513-K517 WeakPolarHBondContact OD1-CE 3.35Å; D513-K517 IonicContact OD1-NZ 2.67Å; D513-K517 PolarHBondContact OD1-NZ 3.29Å; D513-K517 IonicContact OD2-NZ 3.51Å; D513-K517 PolarHBondContact OD2-NZ 3.15Å
514I92.6Very high92.4Very high11 Ų1157.5 Ų57.56%0.05630%0.3CS..Hα-helixtrans-59.4-51.6175.6-68.6163.8000110.5L233 A234 Q510 Y511 E512 S516 K517 M519L233-I514 HydrophobicContact CB-CD1 3.68Å; L233-I514 HydrophobicContact CD1-CD1 4.22Å; A234-I514 HydrophobicContact CB-CD1 3.84Å; A234-I514 HydrophobicContact CB-CG1 4.4Å; Q510-I514 WeakPolarHBondContact O-CD1 3.25Å; Q510-I514 VanDerWaalsContact O-CG1 3.25Å; Q510-I514 WeakPolarHBondContact O-CG1 3.47Å; Q510-I514 PolarHBondContact O-N 3.37Å; Y511-I514 WeakPolarHBondContact O-CB 3.46Å; Y511-I514 PolarHBondContact O-N 2.96Å; E512-I514 VanDerWaalsContact C-N 3.34Å; I514-S516 PolarHBondContact O-N 3.49Å; I514-K517 PolarHBondContact O-N 3.11Å; I514-M519 HydrophobicContact CG2-CB 3.82Å; I514-M519 WeakPolarHBondContact O-CB 3.29Å; I514-M519 PolarHBondContact O-N 2.94Å; I514-M519 VanDerWaalsContact O-N 3.09Å
515V91.8Very high92.3Very high43 Ų4356 Ų5626%0.26129%0.293SS..Hα-helixtrans-65.1-38.6-178.8173.60000111.7Y511 E512 K517 G518Y511-V515 HydrophobicContact CD1-CG2 4.29Å; Y511-V515 HydrophobicContact CD2-CG2 4.26Å; Y511-V515 HydrophobicContact CE1-CG2 3.84Å; Y511-V515 HydrophobicContact CE2-CG2 3.81Å; Y511-V515 HydrophobicContact CG-CG2 4.48Å; Y511-V515 WeakPolarHBondContact O-CG2 3.22Å; Y511-V515 PolarHBondContact O-N 3.46Å; E512-V515 PolarHBondContact O-N 3.02Å; V515-K517 PolarHBondContact O-N 2.98Å; V515-G518 WeakPolarHBondContact O-CA 3.32Å; V515-G518 PolarHBondContact O-N 3.49Å
516S93Very high92.1Very high94 Ų9459.9 Ų59.966%0.65731%0.305SS*.Hα-helixtrans-63.8-29.3178.676.60000112.8E512 D513 I514 G518E512-S516 WeakPolarHBondContact O-CB 3.42Å; E512-S516 PolarHBondContact O-N 3.2Å; E512-S516 PolarHBondContact O-OG 3.35Å; D513-S516 PolarHBondContact O-N 3.26Å; D513-S516 PolarHBondContact O-OG 2.84Å; I514-S516 PolarHBondContact O-N 3.49Å; S516-G518 PolarHBondContact O-N 2.92Å
517K93.2Very high91.9Very high130 Ų13058.9 Ų58.957%0.56530%0.297SS*.THydrogen-bonded Turntrans-79.52.8173.6-69.4167.9-177.8165.20112.9D513 I514 V515 M519D513-K517 WeakPolarHBondContact O-CG 3.24Å; D513-K517 PolarHBondContact O-N 2.86Å; D513-K517 WeakPolarHBondContact OD1-CE 3.35Å; D513-K517 IonicContact OD1-NZ 2.67Å; D513-K517 PolarHBondContact OD1-NZ 3.29Å; D513-K517 IonicContact OD2-NZ 3.51Å; D513-K517 PolarHBondContact OD2-NZ 3.15Å; I514-K517 PolarHBondContact O-N 3.11Å; V515-K517 PolarHBondContact O-N 2.98Å; K517-M519 HydrophobicContact CB-CG 4.01Å; K517-M519 PolarHBondContact O-N 3.33Å
518G91.5Very high91.6Very high35 Ų3558.3 Ų58.336%0.36129%0.294SS..THydrogen-bonded Turntrans65.423.4-174.900000112.7V515 S516 R523V515-G518 WeakPolarHBondContact O-CA 3.32Å; V515-G518 PolarHBondContact O-N 3.49Å; S516-G518 PolarHBondContact O-N 2.92Å; G518-R523 WeakPolarHBondContact O-CD 3.5Å; G518-R523 PolarHBondContact O-NH1 3.04Å
519M91.7Very high91.2Very high62 Ų6262.3 Ų62.331%0.30531%0.309SS..  trans-92.8144.4176.8-63.6-63.6-69.100109.5I514 K517 R523 A527I514-M519 HydrophobicContact CG2-CB 3.82Å; I514-M519 WeakPolarHBondContact O-CB 3.29Å; I514-M519 PolarHBondContact O-N 2.94Å; I514-M519 VanDerWaalsContact O-N 3.09Å; K517-M519 HydrophobicContact CB-CG 4.01Å; K517-M519 PolarHBondContact O-N 3.33Å; M519-R523 HydrophobicContact CE-CB 4.14Å; M519-R523 HydrophobicContact SD-CB 4.29Å; M519-A527 HydrophobicContact CE-CB 4.44Å
520D91.1Very high90.6Very high54 Ų5464.8 Ų64.829%0.28932%0.318SS..  trans-132.9175.2171.361.249.1000108.2Y522 R523 T524D520-Y522 VanDerWaalsContact C-N 3.27Å; D520-Y522 PolarHBondContact O-N 2.93Å; D520-Y522 WeakPolarHBondContact OD1-CA 3.41Å; D520-Y522 PolarHBondContact OD1-N 3.38Å; D520-R523 PolarHBondContact O-N 2.95Å; D520-R523 WeakPolarHBondContact OD1-CG 3.33Å; D520-R523 PolarHBondContact OD1-N 2.81Å; D520-R523 VanDerWaalsContact OD2-CD 3.22Å; D520-R523 WeakPolarHBondContact OD2-CD 3.39Å; D520-R523 WeakPolarHBondContact OD2-CG 3.44Å; D520-R523 IonicContact OD2-CZ 3.84Å; D520-R523 IonicContact OD2-NE 3.43Å; D520-R523 PolarHBondContact OD2-NE 3.18Å; D520-T524 VanDerWaalsContact O-CB 3.28Å; D520-T524 WeakPolarHBondContact O-CB 3.43Å; D520-T524 PolarHBondContact O-N 2.9Å; D520-T524 PolarHBondContact O-OG1 2.97Å
521K90.8Very high89.9Confident30 Ų3065.6 Ų65.613%0.1334%0.336CS..Hα-helixtrans-47.9-48.6176.8179.5-179.5-174.61670112.6Q195 L197 F200 L525Q195-K521 PolarHBondContact O-NZ 3.32Å; L197-K521 PolarHBondContact O-NZ 2.68Å; F200-K521 PolarHBondContact O-NZ 3.41Å; K521-L525 HydrophobicContact CG-CD1 4.29Å; K521-L525 WeakPolarHBondContact O-CB 3.41Å; K521-L525 VanDerWaalsContact O-CG 3.29Å; K521-L525 WeakPolarHBondContact O-CG 3.39Å; K521-L525 PolarHBondContact O-N 3.43Å
522Y91.1Very high89.4Confident85 Ų8567.5 Ų67.533%0.33335%0.348SS..Hα-helixtrans-76.2-39.3-173.4-58.6-73.7000112.9D196 D520 T524 L525 R526D196-Y522 WeakPolarHBondContact OD1-CE2 3.39Å; D196-Y522 PolarHBondContact OD1-OH 2.86Å; D196-Y522 VanDerWaalsContact OD1-OH 3.11Å; D520-Y522 VanDerWaalsContact C-N 3.27Å; D520-Y522 PolarHBondContact O-N 2.93Å; D520-Y522 WeakPolarHBondContact OD1-CA 3.41Å; D520-Y522 PolarHBondContact OD1-N 3.38Å; Y522-T524 VanDerWaalsContact C-N 3.35Å; Y522-L525 PolarHBondContact O-N 3.26Å; Y522-R526 WeakPolarHBondContact O-CB 3.5Å; Y522-R526 WeakPolarHBondContact O-CG 3.48Å; Y522-R526 PolarHBondContact O-N 3.17Å
523R91.6Very high88.9Confident128 Ų12865.3 Ų65.348%0.48334%0.339SS..Hα-helixtrans-63.4-42.7172.7-69.6176.2-163.4-155-8.3110.8G518 M519 D520 R526 A527G518-R523 WeakPolarHBondContact O-CD 3.5Å; G518-R523 PolarHBondContact O-NH1 3.04Å; M519-R523 HydrophobicContact CE-CB 4.14Å; M519-R523 HydrophobicContact SD-CB 4.29Å; D520-R523 PolarHBondContact O-N 2.95Å; D520-R523 WeakPolarHBondContact OD1-CG 3.33Å; D520-R523 PolarHBondContact OD1-N 2.81Å; D520-R523 VanDerWaalsContact OD2-CD 3.22Å; D520-R523 WeakPolarHBondContact OD2-CD 3.39Å; D520-R523 WeakPolarHBondContact OD2-CG 3.44Å; D520-R523 IonicContact OD2-CZ 3.84Å; D520-R523 IonicContact OD2-NE 3.43Å; D520-R523 PolarHBondContact OD2-NE 3.18Å; R523-R526 PolarHBondContact O-N 3.34Å; R523-A527 WeakPolarHBondContact O-CB 3.46Å; R523-A527 PolarHBondContact O-N 3.42Å
524T90.1Very high88.6Confident14 Ų1467.4 Ų67.49%0.08634%0.344CS..Hα-helixtrans-60-51.3176-56.30000110.3A234 P235 D520 Y522 R526 A527 I528A234-T524 HydrophobicContact CB-CG2 4.23Å; P235-T524 HydrophobicContact CG-CG2 4.49Å; D520-T524 VanDerWaalsContact O-CB 3.28Å; D520-T524 WeakPolarHBondContact O-CB 3.43Å; D520-T524 PolarHBondContact O-N 2.9Å; D520-T524 PolarHBondContact O-OG1 2.97Å; Y522-T524 VanDerWaalsContact C-N 3.35Å; T524-R526 VanDerWaalsContact C-N 3.34Å; T524-R526 PolarHBondContact O-N 2.88Å; T524-A527 PolarHBondContact O-N 2.82Å; T524-I528 WeakPolarHBondContact O-CG1 3.39Å; T524-I528 PolarHBondContact O-N 3.43Å; T524-I528 VanDerWaalsContact O-N 3.1Å
525L88.1Confident88.4Confident11 Ų1173.5 Ų73.56%0.05837%0.371CS..Hα-helixtrans-60.9-38.9177.3-73.5174.3000113L222 P235 K521 Y522 I528 R529L222-L525 HydrophobicContact CD1-CD1 4.36Å; P235-L525 HydrophobicContact CG-CD2 4.12Å; K521-L525 HydrophobicContact CG-CD1 4.29Å; K521-L525 WeakPolarHBondContact O-CB 3.41Å; K521-L525 VanDerWaalsContact O-CG 3.29Å; K521-L525 WeakPolarHBondContact O-CG 3.39Å; K521-L525 PolarHBondContact O-N 3.43Å; Y522-L525 PolarHBondContact O-N 3.26Å; L525-I528 HydrophobicContact CD2-CD1 4.36Å; L525-R529 WeakPolarHBondContact O-CB 3.41Å; L525-R529 WeakPolarHBondContact O-CD 3.3Å; L525-R529 WeakPolarHBondContact O-CG 3.31Å; L525-R529 PolarHBondContact O-N 3.25Å
526R89Confident88.4Confident152 Ų15271.8 Ų71.857%0.57436%0.359SS*.Hα-helixtrans-63.2-49.4175.3-80-173.6-71.2-111.1-2111.4Y522 R523 T524 I528 R529Y522-R526 WeakPolarHBondContact O-CB 3.5Å; Y522-R526 WeakPolarHBondContact O-CG 3.48Å; Y522-R526 PolarHBondContact O-N 3.17Å; R523-R526 PolarHBondContact O-N 3.34Å; T524-R526 VanDerWaalsContact C-N 3.34Å; T524-R526 PolarHBondContact O-N 2.88Å; R526-I528 PolarHBondContact O-N 2.68Å; R526-R529 PolarHBondContact O-N 2.98Å
527A88.7Confident88.2Confident48 Ų4867.3 Ų67.340%0.39733%0.328SS..Hα-helixtrans-59.9-44-177.900000112.5M519 R523 T524 R529 E530M519-A527 HydrophobicContact CE-CB 4.44Å; R523-A527 WeakPolarHBondContact O-CB 3.46Å; R523-A527 PolarHBondContact O-N 3.42Å; T524-A527 PolarHBondContact O-N 2.82Å; A527-R529 VanDerWaalsContact C-N 3.29Å; A527-R529 PolarHBondContact O-N 3.18Å; A527-E530 WeakPolarHBondContact O-CB 3.38Å; A527-E530 PolarHBondContact O-N 2.95Å
528I87.8Confident88.1Confident29 Ų2964.2 Ų64.215%0.14932%0.318CS..Hα-helixtrans-78.9-11.1-178.867.7171.9000114P235 T238 T524 L525 R526 E530P235-I528 HydrophobicContact CB-CD1 3.77Å; P235-I528 HydrophobicContact CG-CD1 3.63Å; T238-I528 HydrophobicContact CG2-CB 4.43Å; T238-I528 HydrophobicContact CG2-CD1 3.89Å; T238-I528 HydrophobicContact CG2-CG1 3.68Å; T524-I528 WeakPolarHBondContact O-CG1 3.39Å; T524-I528 PolarHBondContact O-N 3.43Å; T524-I528 VanDerWaalsContact O-N 3.1Å; L525-I528 HydrophobicContact CD2-CD1 4.36Å; R526-I528 PolarHBondContact O-N 2.68Å; I528-E530 VanDerWaalsContact C-N 3.33Å
529R84Confident88.1Confident87 Ų8766.3 Ų66.333%0.32832%0.318SS..Hα-helixtrans-81-16.4172.2-78.2173.5-173.6-179.94.3112.4L222 T238 P240 L525 R526 A527L222-R529 VanDerWaalsContact CB-NH2 3.33Å; T238-R529 HydrophobicContact CG2-CB 4.47Å; T238-R529 HydrophobicContact CG2-CG 3.61Å; P240-R529 HydrophobicContact CG-CG 4.32Å; L525-R529 WeakPolarHBondContact O-CB 3.41Å; L525-R529 WeakPolarHBondContact O-CD 3.3Å; L525-R529 WeakPolarHBondContact O-CG 3.31Å; L525-R529 PolarHBondContact O-N 3.25Å; R526-R529 PolarHBondContact O-N 2.98Å; A527-R529 VanDerWaalsContact C-N 3.29Å; A527-R529 PolarHBondContact O-N 3.18Å
530E81.3Confident88.1Confident152 Ų15263.4 Ų63.471%0.7130%0.304SS*.  trans-65.5142.3177.6-64.5-179.1-177.100111.1A527 I528A527-E530 WeakPolarHBondContact O-CB 3.38Å; A527-E530 PolarHBondContact O-N 2.95Å; I528-E530 VanDerWaalsContact C-N 3.33Å
531G78.7Confident88.1Confident52 Ų5263.4 Ų63.454%0.53630%0.302SS..SBendtrans88.8175.5-177.900000114.9R536G531-R536 PolarHBondContact O-NH2 2.92Å
532N83.3Confident88.1Confident74 Ų7465.9 Ų65.940%0.39632%0.323SS..  trans-86.8159.4-174.267.139.6000112.7K534 K535 R536N532-K534 PolarHBondContact O-N 3.23Å; N532-K534 PolarHBondContact OD1-N 3.01Å; N532-K535 PolarHBondContact O-N 3.33Å; N532-K535 WeakPolarHBondContact OD1-CG 3.49Å; N532-K535 PolarHBondContact OD1-N 2.93Å; N532-R536 PolarHBondContact O-N 3.15Å
533T84.3Confident88.2Confident9 Ų963.8 Ų63.86%0.05532%0.317CS..Hα-helixtrans-59.5-34.5-178.9-47.20000112F239 E243 P258 R536 V537F239-T533 HydrophobicContact CD1-CG2 4.08Å; F239-T533 HydrophobicContact CE1-CG2 4.14Å; E243-T533 PolarHBondContact OE2-OG1 3.39Å; P258-T533 HydrophobicContact CB-CG2 4.19Å; T533-R536 PolarHBondContact O-N 3.47Å; T533-V537 WeakPolarHBondContact O-CG2 3.36Å; T533-V537 PolarHBondContact O-N 2.97Å
534K86.7Confident88Confident115 Ų11560.6 Ų60.650%0.531%0.309SS..Hα-helixtrans-60.3-49.4177.8-177.1-180176.5-178.90112.3N532 R536 V537 D538N532-K534 PolarHBondContact O-N 3.23Å; N532-K534 PolarHBondContact OD1-N 3.01Å; K534-R536 PolarHBondContact O-N 3.43Å; K534-V537 PolarHBondContact O-N 3.38Å; K534-V537 VanDerWaalsContact O-N 3.14Å; K534-D538 PolarHBondContact O-N 3.4Å
535K88.9Confident87.9Confident140 Ų14063.1 Ų63.161%0.60932%0.32SS*.Hα-helixtrans-57.8-38.6176.8-76.9-177.6177.7-174.30111.7N532 D538 Q539N532-K535 PolarHBondContact O-N 3.33Å; N532-K535 WeakPolarHBondContact OD1-CG 3.49Å; N532-K535 PolarHBondContact OD1-N 2.93Å; K535-D538 PolarHBondContact O-N 3.04Å; K535-Q539 WeakPolarHBondContact O-CB 3.49Å; K535-Q539 PolarHBondContact O-N 2.91Å
536R91.1Very high87.9Confident6 Ų665.9 Ų65.92%0.02334%0.335CS..Hα-helixtrans-67.9-37177.2-77.5-177.7-84.7149.9-11112.9V237 T238 F239 E243 G531 N532 T533 K534 Q539 F540V237-R536 HydrophobicContact CG1-CB 3.77Å; V237-R536 HydrophobicContact CG1-CG 4.26Å; V237-R536 VanDerWaalsContact CG1-O 3.3Å; V237-R536 WeakPolarHBondContact CG1-O 3.43Å; T238-R536 VanDerWaalsContact O-CD 3.3Å; T238-R536 WeakPolarHBondContact O-CD 3.31Å; T238-R536 PolarHBondContact O-NH1 2.93Å; F239-R536 HydrophobicContact CE1-CB 4.26Å; F239-R536 HydrophobicContact CZ-CB 4.34Å; E243-R536 IonicContact OE1-CZ 3.11Å; E243-R536 IonicContact OE1-NH1 2.78Å; E243-R536 PolarHBondContact OE1-NH1 3.35Å; E243-R536 IonicContact OE1-NH2 3.57Å; E243-R536 PolarHBondContact OE1-NH2 2.88Å; E243-R536 IonicContact OE2-CZ 2.65Å; E243-R536 IonicContact OE2-NH1 2.8Å; E243-R536 PolarHBondContact OE2-NH1 3.34Å; E243-R536 IonicContact OE2-NH2 3.17Å; E243-R536 PolarHBondContact OE2-NH2 3.31Å; G531-R536 PolarHBondContact O-NH2 2.92Å; N532-R536 PolarHBondContact O-N 3.15Å; T533-R536 PolarHBondContact O-N 3.47Å; K534-R536 PolarHBondContact O-N 3.43Å; R536-Q539 PolarHBondContact O-N 3.12Å; R536-F540 PolarHBondContact O-N 3.25Å
537V89.4Confident87.8Confident0 Ų060.9 Ų60.90%032%0.321CS..Hα-helixtrans-65.5-43.9170.9-179.50000111.1F239 K264 L266 T533 K534 Q539 F540 E541F239-V537 HydrophobicContact CE1-CG2 3.74Å; F239-V537 HydrophobicContact CZ-CG2 4.08Å; K264-V537 HydrophobicContact CB-CB 4.34Å; K264-V537 HydrophobicContact CB-CG1 4.2Å; K264-V537 HydrophobicContact CB-CG2 4.45Å; K264-V537 HydrophobicContact CD-CB 4.23Å; K264-V537 HydrophobicContact CD-CG1 3.66Å; K264-V537 HydrophobicContact CG-CB 4.44Å; K264-V537 HydrophobicContact CG-CG1 3.81Å; L266-V537 HydrophobicContact CB-CG2 4.16Å; T533-V537 WeakPolarHBondContact O-CG2 3.36Å; T533-V537 PolarHBondContact O-N 2.97Å; K534-V537 PolarHBondContact O-N 3.38Å; K534-V537 VanDerWaalsContact O-N 3.14Å; V537-Q539 VanDerWaalsContact C-N 3.31Å; V537-Q539 PolarHBondContact O-N 3.48Å; V537-F540 WeakPolarHBondContact O-CB 3.41Å; V537-F540 PolarHBondContact O-N 3.05Å; V537-E541 WeakPolarHBondContact O-CG 3.46Å; V537-E541 PolarHBondContact O-N 3.43Å
538D90.4Very high87.7Confident66 Ų6661.7 Ų61.735%0.35332%0.316SS..Hα-helixtrans-64.1-37.6177.9-64-25.4000111.5K264 K534 K535 E541 S542K264-D538 IonicContact NZ-OD1 2.76Å; K264-D538 PolarHBondContact NZ-OD1 2.93Å; K534-D538 PolarHBondContact O-N 3.4Å; K535-D538 PolarHBondContact O-N 3.04Å; D538-E541 PolarHBondContact O-N 3.35Å; D538-S542 WeakPolarHBondContact O-CB 3.38Å; D538-S542 PolarHBondContact O-N 3.4Å
539Q92.1Very high87.7Confident78 Ų7863.9 Ų63.936%0.36433%0.327SS..Hα-helixtrans-61.9-48172.8-172.8-174.9-4.700111.2K236 V237 K535 R536 V537 E541 S542 M543K236-Q539 PolarHBondContact O-NE2 3.35Å; V237-Q539 HydrophobicContact CG2-CB 4.16Å; V237-Q539 HydrophobicContact CG2-CG 3.87Å; K535-Q539 WeakPolarHBondContact O-CB 3.49Å; K535-Q539 PolarHBondContact O-N 2.91Å; R536-Q539 PolarHBondContact O-N 3.12Å; V537-Q539 VanDerWaalsContact C-N 3.31Å; V537-Q539 PolarHBondContact O-N 3.48Å; Q539-E541 VanDerWaalsContact C-N 3.28Å; Q539-E541 PolarHBondContact O-N 3.31Å; Q539-S542 WeakPolarHBondContact O-CB 3.49Å; Q539-S542 PolarHBondContact O-N 3.24Å; Q539-S542 PolarHBondContact O-OG 3.08Å; Q539-M543 WeakPolarHBondContact O-CG 3.37Å; Q539-M543 PolarHBondContact O-N 2.88Å; Q539-M543 VanDerWaalsContact O-N 3.17Å
540F91.9Very high88Confident1 Ų162.2 Ų62.20%0.00433%0.327CS..Hα-helixtrans-57.7-39.3176.3167.6-100.5000113I207 N209 L215 I226 V237 L266 V267 F268 R536 V537 S542I207-F540 HydrophobicContact CD1-CE2 4.21Å; N209-F540 HydrophobicContact CB-CE1 3.69Å; N209-F540 HydrophobicContact CB-CE2 4.15Å; N209-F540 HydrophobicContact CB-CZ 3.47Å; N209-F540 VanDerWaalsContact CB-CZ 3.47Å; L215-F540 HydrophobicContact CD1-CD2 4.1Å; L215-F540 HydrophobicContact CD1-CE2 3.58Å; L215-F540 HydrophobicContact CD1-CZ 4.38Å; I226-F540 HydrophobicContact CB-CD2 4.36Å; I226-F540 HydrophobicContact CD1-CD2 4.37Å; I226-F540 HydrophobicContact CD1-CE2 4.25Å; I226-F540 HydrophobicContact CG1-CD2 3.95Å; I226-F540 HydrophobicContact CG1-CE2 4.31Å; I226-F540 HydrophobicContact CG2-CD2 3.86Å; I226-F540 HydrophobicContact CG2-CE2 4Å; V237-F540 HydrophobicContact CG1-CB 4.49Å; V237-F540 HydrophobicContact CG2-CB 4.35Å; L266-F540 HydrophobicContact CD1-CB 4.22Å; L266-F540 HydrophobicContact CD1-CD1 3.16Å; L266-F540 HydrophobicContact CD1-CD2 4.34Å; L266-F540 HydrophobicContact CD1-CE1 3.49Å; L266-F540 VanDerWaalsContact CD1-CE1 3.49Å; L266-F540 HydrophobicContact CD1-CG 3.63Å; L266-F540 HydrophobicContact CD1-CZ 4.2Å; V267-F540 WeakPolarHBondContact O-CE1 3.45Å; F268-F540 HydrophobicContact CB-CE1 4.49Å; F268-F540 HydrophobicContact CB-CZ 3.88Å; R536-F540 PolarHBondContact O-N 3.25Å; V537-F540 WeakPolarHBondContact O-CB 3.41Å; V537-F540 PolarHBondContact O-N 3.05Å; F540-S542 VanDerWaalsContact C-N 3.3Å
541E91.3Very high88.5Confident54 Ų5455.3 Ų55.325%0.25230%0.298SS..Hα-helixtrans-74.7-21.8177-71.1176.2-169.900113.2K211 K264 V537 D538 Q539K211-E541 WeakPolarHBondContact CE-O 3.41Å; K211-E541 PolarHBondContact NZ-O 3.49Å; K264-E541 WeakPolarHBondContact CE-OE1 3.21Å; K264-E541 WeakPolarHBondContact CE-OE2 3.42Å; K264-E541 IonicContact NZ-OE1 2.73Å; K264-E541 PolarHBondContact NZ-OE1 2.73Å; K264-E541 VanDerWaalsContact NZ-OE1 3.11Å; K264-E541 IonicContact NZ-OE2 3.91Å; K264-E541 PolarHBondContact NZ-OE2 3.02Å; V537-E541 WeakPolarHBondContact O-CG 3.46Å; V537-E541 PolarHBondContact O-N 3.43Å; D538-E541 PolarHBondContact O-N 3.35Å; Q539-E541 VanDerWaalsContact C-N 3.28Å; Q539-E541 PolarHBondContact O-N 3.31Å
542S91.2Very high89.3Confident82 Ų8255.6 Ų55.657%0.57328%0.278SS*.Hα-helixtrans-78.2-29.9176.976.20000113.3K211 D538 Q539 F540K211-S542 PolarHBondContact NZ-O 2.93Å; D538-S542 WeakPolarHBondContact O-CB 3.38Å; D538-S542 PolarHBondContact O-N 3.4Å; Q539-S542 WeakPolarHBondContact O-CB 3.49Å; Q539-S542 PolarHBondContact O-N 3.24Å; Q539-S542 PolarHBondContact O-OG 3.08Å; F540-S542 VanDerWaalsContact C-N 3.3Å
543M91.6Very high89.9Confident42 Ų4253.9 Ų53.921%0.20727%0.267CS..  trans-59.10169-59.8171.978.500110.8N209 T213 L215 E228 K236 V237 Q539N209-M543 PolarHBondContact ND2-OXT 2.81Å; T213-M543 WeakPolarHBondContact CG2-O 3.27Å; T213-M543 PolarHBondContact OG1-O 3.44Å; L215-M543 HydrophobicContact CD1-CB 4.46Å; L215-M543 HydrophobicContact CD2-CB 4.46Å; L215-M543 HydrophobicContact CD2-CE 3.83Å; E228-M543 HydrophobicContact CG-CE 3.59Å; K236-M543 HydrophobicContact CB-CE 3.79Å; K236-M543 HydrophobicContact CB-SD 4.12Å; K236-M543 HydrophobicContact CG-CE 3.82Å; V237-M543 HydrophobicContact CG2-SD 3.92Å; Q539-M543 WeakPolarHBondContact O-CG 3.37Å; Q539-M543 PolarHBondContact O-N 2.88Å; Q539-M543 VanDerWaalsContact O-N 3.17Å

Retrieved 543 of 543 residues in 273 ms (Link to these results)

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