A0A3Q0KL48_SCHMA Loading...

Pre-mRNA-splicing factor ISY1-like protein

AlphaFold DB (A0A5K4EKT6), UniProt , Accession A0A3Q0KL48, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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
1M71.8Confident88.4Confident225 Ų225106.8 Ų106.8100%1.10860%0.603SS**  01280-75.8161.279.300108.1
2A81.9Confident88.6Confident50 Ų50108.5 Ų108.541%0.41361%0.609SS.*  trans-60.4147.2175.100000111.4E6 K7A2-E6 VanDerWaalsContact CA-OE2 3.32Å; A2-E6 WeakPolarHBondContact CA-OE2 3.46Å; A2-E6 HydrophobicContact CB-CB 4.22Å; A2-E6 WeakPolarHBondContact CB-OE2 3.26Å; A2-K7 HydrophobicContact CB-CG 4.16Å; A2-K7 WeakPolarHBondContact O-CE 3.49Å
3R90.3Very high88.8Confident193 Ų193102.2 Ų102.273%0.72858%0.579SS**  trans-66.1155.3177-71-179.8178.7152.8-1.5110.2A5 E6 K7R3-A5 PolarHBondContact O-N 2.81Å; R3-E6 HydrophobicContact CB-CG 4.45Å; R3-E6 PolarHBondContact N-OE2 2.85Å; R3-E6 WeakPolarHBondContact O-CB 3.46Å; R3-E6 PolarHBondContact O-N 2.84Å; R3-K7 PolarHBondContact O-N 3.49Å; R3-K7 VanDerWaalsContact O-N 3.07Å
4S91.7Very high88.8Confident103 Ų103105.8 Ų105.872%0.7258%0.578SS**Hα-helixtrans-54.3-40.2179.2-172.60000112.3E6 K7 A8S4-E6 VanDerWaalsContact C-N 3.34Å; S4-E6 PolarHBondContact O-N 3.41Å; S4-K7 PolarHBondContact O-N 3Å; S4-A8 WeakPolarHBondContact O-CB 3.23Å; S4-A8 PolarHBondContact O-N 2.99Å
5A91.5Very high88.8Confident61 Ų61109.2 Ų109.250%0.50458%0.58SS.*Hα-helixtrans-58.8-42.3176.300000112.8R3 A8 M9R3-A5 PolarHBondContact O-N 2.81Å; A5-A8 PolarHBondContact O-N 3.1Å; A5-M9 VanDerWaalsContact O-CG 3.3Å; A5-M9 WeakPolarHBondContact O-CG 3.48Å; A5-M9 PolarHBondContact O-N 3.3Å; A5-M9 VanDerWaalsContact O-N 3.13Å
6E91Very high88.9Confident101 Ų101112.9 Ų112.947%0.47258%0.583SS.*Hα-helixtrans-68.7-41.6178.1-65.7164.6179.900111.1A2 R3 S4 A8 M9 T10A2-E6 VanDerWaalsContact CA-OE2 3.32Å; A2-E6 WeakPolarHBondContact CA-OE2 3.46Å; A2-E6 HydrophobicContact CB-CB 4.22Å; A2-E6 WeakPolarHBondContact CB-OE2 3.26Å; R3-E6 HydrophobicContact CB-CG 4.45Å; R3-E6 PolarHBondContact N-OE2 2.85Å; R3-E6 WeakPolarHBondContact O-CB 3.46Å; R3-E6 PolarHBondContact O-N 2.84Å; S4-E6 VanDerWaalsContact C-N 3.34Å; S4-E6 PolarHBondContact O-N 3.41Å; E6-A8 VanDerWaalsContact C-N 3.31Å; E6-A8 PolarHBondContact O-N 3.34Å; E6-M9 PolarHBondContact O-N 3.36Å; E6-M9 VanDerWaalsContact O-N 3.09Å; E6-T10 PolarHBondContact O-N 2.84Å
7K92.7Very high88.8Confident107 Ų107108.5 Ų108.547%0.46557%0.567SS.*Hα-helixtrans-61.2-40.3175.2-67.6-178-179.6179.70111.7A2 R3 S4 M9 T10 A13A2-K7 HydrophobicContact CB-CG 4.16Å; A2-K7 WeakPolarHBondContact O-CE 3.49Å; R3-K7 PolarHBondContact O-N 3.49Å; R3-K7 VanDerWaalsContact O-N 3.07Å; S4-K7 PolarHBondContact O-N 3Å; K7-M9 PolarHBondContact O-N 2.85Å; K7-T10 WeakPolarHBondContact O-CB 3.44Å; K7-T10 WeakPolarHBondContact O-CG2 3.49Å; K7-T10 PolarHBondContact O-N 3.35Å; K7-T10 PolarHBondContact O-OG1 3.34Å; K7-A13 WeakPolarHBondContact O-CB 3.28Å
8A89.4Confident88.6Confident63 Ų63106.7 Ų106.752%0.52156%0.561SS.*Hα-helixtrans-66.9-24.9175.900000112.9S4 A5 E6 A13S4-A8 WeakPolarHBondContact O-CB 3.23Å; S4-A8 PolarHBondContact O-N 2.99Å; A5-A8 PolarHBondContact O-N 3.1Å; E6-A8 VanDerWaalsContact C-N 3.31Å; E6-A8 PolarHBondContact O-N 3.34Å; A8-A13 VanDerWaalsContact O-CB 3.28Å; A8-A13 WeakPolarHBondContact O-CB 3.5Å
9M87.7Confident88.4Confident118 Ų118107.7 Ų107.758%0.58156%0.558SS**THydrogen-bonded Turntrans-85.9-2.3177.2-72-178.4-170.300114.1A5 E6 K7 R14A5-M9 VanDerWaalsContact O-CG 3.3Å; A5-M9 WeakPolarHBondContact O-CG 3.48Å; A5-M9 PolarHBondContact O-N 3.3Å; A5-M9 VanDerWaalsContact O-N 3.13Å; E6-M9 PolarHBondContact O-N 3.36Å; E6-M9 VanDerWaalsContact O-N 3.09Å; K7-M9 PolarHBondContact O-N 2.85Å; M9-R14 PolarHBondContact O-NE 3Å; M9-R14 PolarHBondContact O-NH2 3.16Å
10T92.2Very high88Confident70 Ų70105.7 Ų105.743%0.42955%0.55SS.*SBendtrans-62.9150.6176.660.30000111.8E6 K7 L12 A13 R14E6-T10 PolarHBondContact O-N 2.84Å; K7-T10 WeakPolarHBondContact O-CB 3.44Å; K7-T10 WeakPolarHBondContact O-CG2 3.49Å; K7-T10 PolarHBondContact O-N 3.35Å; K7-T10 PolarHBondContact O-OG1 3.34Å; T10-L12 PolarHBondContact O-N 3.4Å; T10-A13 PolarHBondContact O-N 3.45Å; T10-A13 VanDerWaalsContact OG1-CB 3.26Å; T10-A13 WeakPolarHBondContact OG1-CB 3.22Å; T10-A13 PolarHBondContact OG1-N 3.04Å; T10-R14 WeakPolarHBondContact O-CG 3.29Å; T10-R14 PolarHBondContact O-N 2.82Å
11A92.6Very high87.1Confident84 Ų84105 Ų10569%0.69455%0.547SS*.Hα-helixtrans-55.6-39.7-179.100000112.5R14 W15A11-R14 PolarHBondContact O-N 2.9Å; A11-W15 VanDerWaalsContact O-CB 3.28Å; A11-W15 WeakPolarHBondContact O-CB 3.29Å; A11-W15 PolarHBondContact O-N 3.48Å
12L90.7Very high86.7Confident127 Ų127102.4 Ų102.467%0.66553%0.525SS*.Hα-helixtrans-67.1-41.8176.7-170.5152.2000112T10 W15 R16T10-L12 PolarHBondContact O-N 3.4Å; L12-W15 PolarHBondContact O-N 3.26Å; L12-R16 VanDerWaalsContact O-CB 3.31Å; L12-R16 WeakPolarHBondContact O-CB 3.3Å; L12-R16 PolarHBondContact O-N 3.46Å
13A90.6Very high85.7Confident27 Ų27106.2 Ų106.222%0.22354%0.543CS..Hα-helixtrans-64.3-42.8176.500000111.6K7 A8 T10 R16 A17K7-A13 WeakPolarHBondContact O-CB 3.28Å; A8-A13 VanDerWaalsContact O-CB 3.28Å; A8-A13 WeakPolarHBondContact O-CB 3.5Å; T10-A13 PolarHBondContact O-N 3.45Å; T10-A13 VanDerWaalsContact OG1-CB 3.26Å; T10-A13 WeakPolarHBondContact OG1-CB 3.22Å; T10-A13 PolarHBondContact OG1-N 3.04Å; A13-R16 PolarHBondContact O-N 2.85Å; A13-A17 WeakPolarHBondContact O-CB 3.23Å; A13-A17 PolarHBondContact O-N 3.34Å
14R89.3Confident84.4Confident152 Ų152103.6 Ų103.657%0.57454%0.539SS*.Hα-helixtrans-63.4-45.2174-65-176.7-163.1-166.30.4112M9 T10 A11 A17 V18M9-R14 PolarHBondContact O-NE 3Å; M9-R14 PolarHBondContact O-NH2 3.16Å; T10-R14 WeakPolarHBondContact O-CG 3.29Å; T10-R14 PolarHBondContact O-N 2.82Å; A11-R14 PolarHBondContact O-N 2.9Å; R14-A17 PolarHBondContact O-N 3.1Å; R14-V18 WeakPolarHBondContact O-CG2 3.5Å; R14-V18 PolarHBondContact O-N 2.97Å
15W89.3Confident82.9Confident157 Ų157105.2 Ų105.260%0.59554%0.535SS*.Hα-helixtrans-58.4-51.3176.1-172.386.9000109.7A11 L12 A17 V18 Y19A11-W15 VanDerWaalsContact O-CB 3.28Å; A11-W15 WeakPolarHBondContact O-CB 3.29Å; A11-W15 PolarHBondContact O-N 3.48Å; L12-W15 PolarHBondContact O-N 3.26Å; W15-A17 VanDerWaalsContact C-N 3.34Å; W15-A17 PolarHBondContact O-N 2.95Å; W15-V18 WeakPolarHBondContact O-CB 3.32Å; W15-V18 PolarHBondContact O-N 3.11Å; W15-V18 VanDerWaalsContact O-N 3.09Å; W15-Y19 AromaticContact CD1-CE2 3.67Å; W15-Y19 AromaticContact CD2-CD2 3.77Å; W15-Y19 HydrophobicContact CD2-CD2 3.77Å; W15-Y19 AromaticContact CD2-CE2 3.57Å; W15-Y19 HydrophobicContact CD2-CE2 3.57Å; W15-Y19 AromaticContact CE2-CD2 3.72Å; W15-Y19 AromaticContact CE2-CE2 3.1Å; W15-Y19 AromaticContact CE2-CZ 3.74Å; W15-Y19 HydrophobicContact CE3-CD2 4.06Å; W15-Y19 HydrophobicContact CE3-CE2 4.27Å; W15-Y19 HydrophobicContact CG-CD2 4.23Å; W15-Y19 AromaticContact CG-CE2 3.91Å; W15-Y19 HydrophobicContact CG-CE2 3.91Å; W15-Y19 HydrophobicContact CH2-CD2 4.22Å; W15-Y19 HydrophobicContact CH2-CE2 4.15Å; W15-Y19 AromaticContact CZ2-CD2 3.95Å; W15-Y19 HydrophobicContact CZ2-CD2 3.95Å; W15-Y19 HydrophobicContact CZ2-CE1 4.48Å; W15-Y19 AromaticContact CZ2-CE2 3.43Å; W15-Y19 HydrophobicContact CZ2-CE2 3.43Å; W15-Y19 VanDerWaalsContact CZ2-CE2 3.43Å; W15-Y19 AromaticContact CZ2-CZ 3.68Å; W15-Y19 HydrophobicContact CZ3-CD2 4.28Å; W15-Y19 AromaticContact NE1-CE2 3.2Å; W15-Y19 AromaticContact NE1-CZ 3.79Å; W15-Y19 WeakPolarHBondContact O-CD2 3.46Å; W15-Y19 PolarHBondContact O-N 3.34Å
16R90.4Very high81.6Confident169 Ų169108.1 Ų108.164%0.63855%0.547SS*.Hα-helixtrans-57-43.5176.9-172.6177.5179.4172.10.3112.6L12 A13 V18 Y19 V20L12-R16 VanDerWaalsContact O-CB 3.31Å; L12-R16 WeakPolarHBondContact O-CB 3.3Å; L12-R16 PolarHBondContact O-N 3.46Å; A13-R16 PolarHBondContact O-N 2.85Å; R16-V18 PolarHBondContact O-N 3.25Å; R16-Y19 PolarHBondContact O-N 3.2Å; R16-V20 HydrophobicContact CG-CG2 3.91Å; R16-V20 WeakPolarHBondContact O-CB 3.39Å; R16-V20 VanDerWaalsContact O-CG2 3.31Å; R16-V20 WeakPolarHBondContact O-CG2 3.46Å; R16-V20 PolarHBondContact O-N 2.86Å
17A86.1Confident80.8Confident38 Ų38108.1 Ų108.131%0.31455%0.545SS..Hα-helixtrans-58.3-46.8175.300000111A13 R14 W15 Y19 V20 D21A13-A17 WeakPolarHBondContact O-CB 3.23Å; A13-A17 PolarHBondContact O-N 3.34Å; R14-A17 PolarHBondContact O-N 3.1Å; W15-A17 VanDerWaalsContact C-N 3.34Å; W15-A17 PolarHBondContact O-N 2.95Å; A17-Y19 VanDerWaalsContact C-N 3.28Å; A17-Y19 PolarHBondContact O-N 3.03Å; A17-V20 PolarHBondContact O-N 2.99Å; A17-D21 WeakPolarHBondContact O-CA 3.27Å; A17-D21 WeakPolarHBondContact O-CB 3.47Å; A17-D21 PolarHBondContact O-N 3.06Å
18V85.9Confident80.4Confident76 Ų76112.3 Ų112.346%0.46156%0.564SS.*Hα-helixtrans-58.7-34.8177.6173.70000113.2R14 W15 R16 R22R14-V18 WeakPolarHBondContact O-CG2 3.5Å; R14-V18 PolarHBondContact O-N 2.97Å; W15-V18 WeakPolarHBondContact O-CB 3.32Å; W15-V18 PolarHBondContact O-N 3.11Å; W15-V18 VanDerWaalsContact O-N 3.09Å; R16-V18 PolarHBondContact O-N 3.25Å; V18-R22 WeakPolarHBondContact O-CB 3.2Å; V18-R22 WeakPolarHBondContact O-CD 3.36Å; V18-R22 WeakPolarHBondContact O-CG 3.46Å; V18-R22 PolarHBondContact O-N 3.05Å
19Y84.2Confident80.4Confident125 Ų125111.4 Ų111.449%0.4955%0.547SS..Hα-helixtrans-84.4-41.7177.9-72.5-88.8000113.2W15 R16 A17 R22 V23W15-Y19 AromaticContact CD1-CE2 3.67Å; W15-Y19 AromaticContact CD2-CD2 3.77Å; W15-Y19 HydrophobicContact CD2-CD2 3.77Å; W15-Y19 AromaticContact CD2-CE2 3.57Å; W15-Y19 HydrophobicContact CD2-CE2 3.57Å; W15-Y19 AromaticContact CE2-CD2 3.72Å; W15-Y19 AromaticContact CE2-CE2 3.1Å; W15-Y19 AromaticContact CE2-CZ 3.74Å; W15-Y19 HydrophobicContact CE3-CD2 4.06Å; W15-Y19 HydrophobicContact CE3-CE2 4.27Å; W15-Y19 HydrophobicContact CG-CD2 4.23Å; W15-Y19 AromaticContact CG-CE2 3.91Å; W15-Y19 HydrophobicContact CG-CE2 3.91Å; W15-Y19 HydrophobicContact CH2-CD2 4.22Å; W15-Y19 HydrophobicContact CH2-CE2 4.15Å; W15-Y19 AromaticContact CZ2-CD2 3.95Å; W15-Y19 HydrophobicContact CZ2-CD2 3.95Å; W15-Y19 HydrophobicContact CZ2-CE1 4.48Å; W15-Y19 AromaticContact CZ2-CE2 3.43Å; W15-Y19 HydrophobicContact CZ2-CE2 3.43Å; W15-Y19 VanDerWaalsContact CZ2-CE2 3.43Å; W15-Y19 AromaticContact CZ2-CZ 3.68Å; W15-Y19 HydrophobicContact CZ3-CD2 4.28Å; W15-Y19 AromaticContact NE1-CE2 3.2Å; W15-Y19 AromaticContact NE1-CZ 3.79Å; W15-Y19 WeakPolarHBondContact O-CD2 3.46Å; W15-Y19 PolarHBondContact O-N 3.34Å; R16-Y19 PolarHBondContact O-N 3.2Å; A17-Y19 VanDerWaalsContact C-N 3.28Å; A17-Y19 PolarHBondContact O-N 3.03Å; Y19-R22 PolarHBondContact O-N 3.41Å; Y19-V23 WeakPolarHBondContact O-CG2 3.33Å; Y19-V23 PolarHBondContact O-N 3.42Å
20V81.7Confident80.5Confident67 Ų67107.3 Ų107.341%0.40653%0.529SS..Hα-helixtrans-70.9-42.7-179.9175.80000110.4R16 A17 R22 V23 Q24R16-V20 HydrophobicContact CG-CG2 3.91Å; R16-V20 WeakPolarHBondContact O-CB 3.39Å; R16-V20 VanDerWaalsContact O-CG2 3.31Å; R16-V20 WeakPolarHBondContact O-CG2 3.46Å; R16-V20 PolarHBondContact O-N 2.86Å; A17-V20 PolarHBondContact O-N 2.99Å; V20-R22 VanDerWaalsContact C-N 3.3Å; V20-R22 PolarHBondContact O-N 3.47Å; V20-V23 WeakPolarHBondContact O-CA 3.48Å; V20-V23 WeakPolarHBondContact O-CB 3.49Å; V20-V23 PolarHBondContact O-N 2.72Å; V20-Q24 PolarHBondContact O-N 3.12Å
21D68.6Low80.4Confident92 Ų92114 Ų11449%0.49255%0.548SS..Hα-helixtrans-73.2-21.7178.1-58.3-18.8000111.8A17 V23 Q24 E25A17-D21 WeakPolarHBondContact O-CA 3.27Å; A17-D21 WeakPolarHBondContact O-CB 3.47Å; A17-D21 PolarHBondContact O-N 3.06Å; D21-V23 VanDerWaalsContact C-N 3.27Å; D21-Q24 CarbonylContact O-C 3.6Å; D21-Q24 PolarHBondContact O-N 3.38Å; D21-E25 WeakPolarHBondContact O-CA 3.28Å; D21-E25 WeakPolarHBondContact O-CG 3.39Å; D21-E25 PolarHBondContact O-N 2.95Å
22R63Low80.4Confident171 Ų171113.8 Ų113.865%0.64553%0.534SS*.Hα-helixtrans-65.3-33.5165.7-90.4178.7-163.2-117.27.9112.2V18 Y19 V20V18-R22 WeakPolarHBondContact O-CB 3.2Å; V18-R22 WeakPolarHBondContact O-CD 3.36Å; V18-R22 WeakPolarHBondContact O-CG 3.46Å; V18-R22 PolarHBondContact O-N 3.05Å; Y19-R22 PolarHBondContact O-N 3.41Å; V20-R22 VanDerWaalsContact C-N 3.3Å; V20-R22 PolarHBondContact O-N 3.47Å
23V60.6Low80.5Confident130 Ų130108.2 Ų108.279%0.78851%0.507SS*.Hα-helixtrans-76.9-32.1175.9178.10000110.5Y19 V20 D21Y19-V23 WeakPolarHBondContact O-CG2 3.33Å; Y19-V23 PolarHBondContact O-N 3.42Å; V20-V23 WeakPolarHBondContact O-CA 3.48Å; V20-V23 WeakPolarHBondContact O-CB 3.49Å; V20-V23 PolarHBondContact O-N 2.72Å; D21-V23 VanDerWaalsContact C-N 3.27Å
24Q62.7Low80.5Confident138 Ų138111.2 Ų111.265%0.64553%0.526SS*.THydrogen-bonded Turntrans-112.244.2177-60.9-165.4-7.400112V20 D21 T26V20-Q24 PolarHBondContact O-N 3.12Å; D21-Q24 CarbonylContact O-C 3.6Å; D21-Q24 PolarHBondContact O-N 3.38Å; Q24-T26 PolarHBondContact O-N 3.21Å
25E60Low80.6Confident137 Ų137110.2 Ų110.264%0.6453%0.528SS*.  trans-52.8113.4175.4-76.9179.9-17700105.5D21 K27D21-E25 WeakPolarHBondContact O-CA 3.28Å; D21-E25 WeakPolarHBondContact O-CG 3.39Å; D21-E25 PolarHBondContact O-N 2.95Å; E25-K27 PolarHBondContact O-N 2.64Å
26T65.7Low80.6Confident122 Ų122103.3 Ų103.375%0.74850%0.503SS*.  trans-66.788.7-175.841.20000105.1Q24 K28Q24-T26 PolarHBondContact O-N 3.21Å; T26-K28 PolarHBondContact O-N 3.31Å
27K74.4Confident80.6Confident101 Ų101101.5 Ų101.544%0.43951%0.511SS..  trans-54113.5-171.6-67-176.8179.7178.70106.2E25 R29 D41 Y45E25-K27 PolarHBondContact O-N 2.64Å; K27-R29 PolarHBondContact O-N 3.03Å; K27-D41 IonicContact NZ-OD1 3.79Å; K27-D41 PolarHBondContact NZ-OD1 2.94Å; K27-D41 IonicContact NZ-OD2 3.04Å; K27-D41 PolarHBondContact NZ-OD2 3.44Å; K27-Y45 HydrophobicContact CB-CE1 4.24Å; K27-Y45 WeakPolarHBondContact CB-OH 3.46Å
28K83.4Confident80.8Confident195 Ų195101 Ų10185%0.84851%0.51SS*.PPolyproline II helixtrans-61.4127.4178-175.7179.1177.6-177.40106.9T26T26-K28 PolarHBondContact O-N 3.31Å
29R88.6Confident81.1Confident44 Ų44100.4 Ų100.417%0.16650%0.504CS..PPolyproline II helixtrans-55.4126.7177.2177.4165.166.2-120.28.7109.4K27 Y45 I49 E52 E83 W87K27-R29 PolarHBondContact O-N 3.03Å; R29-Y45 HydrophobicContact CB-CD1 3.89Å; R29-Y45 HydrophobicContact CB-CE1 4.2Å; R29-Y45 HydrophobicContact CG-CD1 4.08Å; R29-Y45 HydrophobicContact CG-CG 4.26Å; R29-I49 VanDerWaalsContact CZ-CG1 3.46Å; R29-E52 IonicContact CZ-OE1 3.38Å; R29-E52 IonicContact CZ-OE2 3.38Å; R29-E52 IonicContact NH1-OE1 3.53Å; R29-E52 PolarHBondContact NH1-OE1 2.98Å; R29-E52 IonicContact NH1-OE2 3.4Å; R29-E52 PolarHBondContact NH1-OE2 3.2Å; R29-E52 IonicContact NH2-OE1 2.7Å; R29-E52 IonicContact NH2-OE2 3.91Å; R29-E52 PolarHBondContact NH2-OE2 3.42Å; R29-E83 IonicContact CZ-OE2 2.81Å; R29-E83 IonicContact NE-OE2 3.74Å; R29-E83 IonicContact NH2-OE2 3.97Å; R29-E83 PolarHBondContact NH2-OE2 3.01Å; R29-W87 HydrophobicContact CG-CZ2 4Å
30P90.8Very high81.5Confident32 Ų32103.1 Ų103.121%0.20852%0.518CS..PPolyproline II helixtrans-66.4151.3174.829.2-34.4000109.7I32 Y45 W87P30-I32 VanDerWaalsContact C-N 3.33Å; P30-Y45 HydrophobicContact CG-CE2 4.18Å; P30-W87 HydrophobicContact CG-CH2 3.59Å; P30-W87 HydrophobicContact CG-CZ2 3.79Å
31Y90.2Very high82Confident210 Ų210102.5 Ų102.582%0.82451%0.513SS*.SBendtrans-69.3-34.9-178.2-176.2-109.1000111.7
32I92.5Very high83.1Confident79 Ų7998.1 Ų98.141%0.40549%0.489SS..SBendtrans-110.1126.6-178.1-56.5175.4000108.8P30 S34 E35P30-I32 VanDerWaalsContact C-N 3.33Å; I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 3.49Å; I32-E35 HydrophobicContact CB-CG 4.09Å; I32-E35 HydrophobicContact CG2-CG 4.44Å; I32-E35 PolarHBondContact O-N 2.83Å
33A91.8Very high84.6Confident11 Ų1192.8 Ų92.89%0.09147%0.473CS..G310 helixtrans-62.7-37.2-18000000112.3E35 C36 W87 H90A33-E35 PolarHBondContact O-N 2.69Å; A33-E35 VanDerWaalsContact O-N 3.17Å; A33-C36 WeakPolarHBondContact O-CB 3.23Å; A33-C36 PolarHBondContact O-N 2.91Å; A33-C36 VanDerWaalsContact O-N 3.11Å; A33-W87 HydrophobicContact CB-CD2 3.85Å; A33-W87 HydrophobicContact CB-CE3 3.92Å; A33-W87 HydrophobicContact CB-CG 4.36Å; A33-W87 HydrophobicContact CB-CH2 4.34Å; A33-W87 HydrophobicContact CB-CZ2 4.27Å; A33-W87 HydrophobicContact CB-CZ3 4.16Å; A33-H90 HydrophobicContact CB-CB 3.94Å; A33-H90 PolarHBondContact O-CD2 3.07Å; A33-H90 PolarHBondContact O-NE2 2.98Å; A33-H90 VanDerWaalsContact O-NE2 3.11Å
34S90.8Very high86.1Confident90 Ų9092.1 Ų92.163%0.62946%0.457SS*.G310 helixtrans-62.5-21-177.5-51.10000114.9I32 C36I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 3.49Å; S34-C36 PolarHBondContact O-N 3.23Å
35E90.9Very high87.6Confident130 Ų13086.2 Ų86.261%0.60743%0.43SS*.G310 helixtrans-70.3-21.5176.9-67.8178.917000112.4I32 A33 T37I32-E35 HydrophobicContact CB-CG 4.09Å; I32-E35 HydrophobicContact CG2-CG 4.44Å; I32-E35 PolarHBondContact O-N 2.83Å; A33-E35 PolarHBondContact O-N 2.69Å; A33-E35 VanDerWaalsContact O-N 3.17Å; E35-T37 PolarHBondContact O-N 2.92Å
36C90.3Very high89.1Confident13 Ų1381.7 Ų81.79%0.08841%0.406CS..  trans-86.7105.2-177.7-174.30000111.2A33 S34 S42 W87 H90A33-C36 WeakPolarHBondContact O-CB 3.23Å; A33-C36 PolarHBondContact O-N 2.91Å; A33-C36 VanDerWaalsContact O-N 3.11Å; S34-C36 PolarHBondContact O-N 3.23Å; C36-S42 PolarHBondContact SG-OG 3.29Å; C36-S42 VanDerWaalsContact SG-OG 3.34Å; C36-W87 HydrophobicContact CB-CH2 3.93Å; C36-W87 HydrophobicContact CB-CZ3 3.85Å; C36-H90 PolarHBondContact O-NE2 2.96Å
37T89.7Confident90.4Very high130 Ų13084 Ų8480%0.79840%0.401SS*.  trans-79.2-20.9178.555.60000113.7E35E35-T37 PolarHBondContact O-N 2.92Å
38G91.1Very high91.3Very high29 Ų2981.8 Ų81.830%0.29939%0.393SS..  trans-87.8121.3-174.900000113.7K40 D41 S42G38-K40 VanDerWaalsContact C-N 3.31Å; G38-K40 PolarHBondContact O-N 2.88Å; G38-D41 PolarHBondContact O-N 3.46Å; G38-S42 PolarHBondContact O-N 2.92Å; G38-S42 PolarHBondContact O-OG 3.09Å
39L92.3Very high91.8Very high63 Ų6372.5 Ų72.533%0.3335%0.352SS..Hα-helixtrans-56.9-41.3176.1178.162.2000112.9D41 S42 L43 I91 L94L39-D41 PolarHBondContact O-N 2.98Å; L39-S42 PolarHBondContact O-N 3.32Å; L39-L43 HydrophobicContact CD1-CD1 4.31Å; L39-L43 HydrophobicContact CD1-CG 4.34Å; L39-L43 HydrophobicContact CG-CD1 4.11Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.47Å; L39-L43 PolarHBondContact O-N 3.37Å; L39-I91 HydrophobicContact CD1-CG2 3.82Å; L39-L94 HydrophobicContact CD1-CB 4.41Å
40K91.9Very high92.1Very high181 Ų18172.1 Ų72.179%0.78736%0.355SS*.Hα-helixtrans-63.8-41.2-180-67.9-177-179.5178.10112.3G38 L43 Y44G38-K40 VanDerWaalsContact C-N 3.31Å; G38-K40 PolarHBondContact O-N 2.88Å; K40-L43 PolarHBondContact O-N 2.84Å; K40-Y44 PolarHBondContact O-N 3.46Å
41D92Very high92.2Very high55 Ų5575.8 Ų75.829%0.29437%0.369SS..Hα-helixtrans-70-41.5178.7-76.3-9.7000110.2K27 G38 L39 L43 Y44 Y45K27-D41 IonicContact NZ-OD1 3.79Å; K27-D41 PolarHBondContact NZ-OD1 2.94Å; K27-D41 IonicContact NZ-OD2 3.04Å; K27-D41 PolarHBondContact NZ-OD2 3.44Å; G38-D41 PolarHBondContact O-N 3.46Å; L39-D41 PolarHBondContact O-N 2.98Å; D41-L43 PolarHBondContact O-N 3.34Å; D41-Y44 WeakPolarHBondContact O-CB 3.4Å; D41-Y44 PolarHBondContact O-N 2.99Å; D41-Y44 VanDerWaalsContact O-N 3.12Å; D41-Y45 HydrophobicContact CB-CE2 4.13Å; D41-Y45 WeakPolarHBondContact O-CD2 3.35Å; D41-Y45 PolarHBondContact O-N 3.39Å
42S93.1Very high92.4Very high0 Ų067.4 Ų67.40%034%0.337CS..Hα-helixtrans-59.3-43.3173.9-58.50000112.4C36 G38 L39 Y44 Y45 R46C36-S42 PolarHBondContact SG-OG 3.29Å; C36-S42 VanDerWaalsContact SG-OG 3.34Å; G38-S42 PolarHBondContact O-N 2.92Å; G38-S42 PolarHBondContact O-OG 3.09Å; L39-S42 PolarHBondContact O-N 3.32Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 2.75Å; S42-Y45 PolarHBondContact O-N 3.49Å; S42-R46 WeakPolarHBondContact O-CB 3.38Å; S42-R46 PolarHBondContact O-N 2.87Å
43L93Very high92.5Very high59 Ų5963.6 Ų63.631%0.30932%0.318SS..Hα-helixtrans-62.9-38174.6-74169000112.5L39 K40 D41 R47 I91 F99L39-L43 HydrophobicContact CD1-CD1 4.31Å; L39-L43 HydrophobicContact CD1-CG 4.34Å; L39-L43 HydrophobicContact CG-CD1 4.11Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.47Å; L39-L43 PolarHBondContact O-N 3.37Å; K40-L43 PolarHBondContact O-N 2.84Å; D41-L43 PolarHBondContact O-N 3.34Å; L43-R47 WeakPolarHBondContact O-CB 3.32Å; L43-R47 PolarHBondContact O-N 2.91Å; L43-R47 VanDerWaalsContact O-N 3.09Å; L43-I91 HydrophobicContact CD2-CD1 4.12Å; L43-I91 HydrophobicContact CD2-CG2 4.33Å; L43-F99 HydrophobicContact CD2-CE2 3.46Å; L43-F99 VanDerWaalsContact CD2-CE2 3.46Å; L43-F99 HydrophobicContact CD2-CZ 3.49Å; L43-F99 VanDerWaalsContact CD2-CZ 3.49Å
44Y92.4Very high92.6Very high115 Ų11566.4 Ų66.445%0.45134%0.337SS..Hα-helixtrans-63.4-49175.4176.2-94000111.4K40 D41 S42 R46 R47 Q48K40-Y44 PolarHBondContact O-N 3.46Å; D41-Y44 WeakPolarHBondContact O-CB 3.4Å; D41-Y44 PolarHBondContact O-N 2.99Å; D41-Y44 VanDerWaalsContact O-N 3.12Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 2.75Å; Y44-R46 PolarHBondContact O-N 3.35Å; Y44-R47 WeakPolarHBondContact O-CB 3.35Å; Y44-R47 PolarHBondContact O-N 2.93Å; Y44-Q48 PolarHBondContact O-N 3.36Å
45Y93.7Very high92.8Very high15 Ų1569.5 Ų69.56%0.05934%0.335CS..Hα-helixtrans-65.2-39.7179.1-63.5-50.7000112.8K27 R29 P30 D41 S42 R47 Q48 I49 W87K27-Y45 HydrophobicContact CB-CE1 4.24Å; K27-Y45 WeakPolarHBondContact CB-OH 3.46Å; R29-Y45 HydrophobicContact CB-CD1 3.89Å; R29-Y45 HydrophobicContact CB-CE1 4.2Å; R29-Y45 HydrophobicContact CG-CD1 4.08Å; R29-Y45 HydrophobicContact CG-CG 4.26Å; P30-Y45 HydrophobicContact CG-CE2 4.18Å; D41-Y45 HydrophobicContact CB-CE2 4.13Å; D41-Y45 WeakPolarHBondContact O-CD2 3.35Å; D41-Y45 PolarHBondContact O-N 3.39Å; S42-Y45 PolarHBondContact O-N 3.49Å; Y45-R47 VanDerWaalsContact C-N 3.32Å; Y45-R47 PolarHBondContact O-N 2.99Å; Y45-Q48 WeakPolarHBondContact O-CB 3.3Å; Y45-Q48 PolarHBondContact O-N 2.97Å; Y45-I49 WeakPolarHBondContact O-CG1 3.41Å; Y45-I49 PolarHBondContact O-N 3.19Å; Y45-W87 AromaticContact CD2-CH2 3.47Å; Y45-W87 HydrophobicContact CD2-CH2 3.47Å; Y45-W87 VanDerWaalsContact CD2-CH2 3.47Å; Y45-W87 HydrophobicContact CD2-CZ2 4.04Å; Y45-W87 AromaticContact CD2-CZ3 3.83Å; Y45-W87 HydrophobicContact CD2-CZ3 3.83Å; Y45-W87 HydrophobicContact CE2-CH2 4.2Å; Y45-W87 HydrophobicContact CG-CH2 4.1Å; Y45-W87 HydrophobicContact CG-CZ2 4.24Å
46R93.3Very high93Very high41 Ų4165.4 Ų65.416%0.15532%0.315CS..Hα-helixtrans-56-49.2171.9178.2-173.3170.6-104.9-2.9110.8S42 Y44 Q48 I49 V50 W87 E88 I91 F99S42-R46 WeakPolarHBondContact O-CB 3.38Å; S42-R46 PolarHBondContact O-N 2.87Å; Y44-R46 PolarHBondContact O-N 3.35Å; R46-Q48 VanDerWaalsContact C-N 3.31Å; R46-Q48 PolarHBondContact O-N 2.77Å; R46-I49 PolarHBondContact O-N 3.33Å; R46-V50 WeakPolarHBondContact O-CG2 3.5Å; R46-V50 PolarHBondContact O-N 3.46Å; R46-W87 HydrophobicContact CB-CB 4.46Å; R46-E88 HydrophobicContact CG-CG 4.4Å; R46-E88 IonicContact CZ-OE1 2.74Å; R46-E88 IonicContact NE-OE1 2.74Å; R46-E88 PolarHBondContact NE-OE1 3.39Å; R46-E88 IonicContact NH2-OE1 2.62Å; R46-E88 PolarHBondContact NH2-OE1 3.07Å; R46-I91 HydrophobicContact CB-CD1 3.9Å; R46-I91 HydrophobicContact CG-CD1 4.38Å; R46-F99 VanDerWaalsContact CD-CD2 3.49Å; R46-F99 VanDerWaalsContact NE-CG 3.35Å; R46-F99 VanDerWaalsContact NH2-CD1 3.29Å
47R92.7Very high93.2Very high170 Ų17065.5 Ų65.564%0.64231%0.314SS*.Hα-helixtrans-59.9-43.9178.5-176.1-177.6-65-176.60.1110.9L43 Y44 Y45 I49 V50 H51L43-R47 WeakPolarHBondContact O-CB 3.32Å; L43-R47 PolarHBondContact O-N 2.91Å; L43-R47 VanDerWaalsContact O-N 3.09Å; Y44-R47 WeakPolarHBondContact O-CB 3.35Å; Y44-R47 PolarHBondContact O-N 2.93Å; Y45-R47 VanDerWaalsContact C-N 3.32Å; Y45-R47 PolarHBondContact O-N 2.99Å; R47-I49 VanDerWaalsContact C-N 3.35Å; R47-I49 PolarHBondContact O-N 3.14Å; R47-V50 PolarHBondContact O-N 3.29Å; R47-H51 VanDerWaalsContact CG-CE1 3.41Å; R47-H51 WeakPolarHBondContact CG-CE1 3.48Å; R47-H51 PolarHBondContact O-N 3.17Å; R47-H51 VanDerWaalsContact O-N 3.09Å; R47-H51 PolarHBondContact O-ND1 2.8Å
48Q93.4Very high93.4Very high56 Ų5662.1 Ų62.126%0.26230%0.3SS..Hα-helixtrans-57.9-46.4177.7-172-171.8-26.800111.9Y44 Y45 R46 V50 H51 E52Y44-Q48 PolarHBondContact O-N 3.36Å; Y45-Q48 WeakPolarHBondContact O-CB 3.3Å; Y45-Q48 PolarHBondContact O-N 2.97Å; R46-Q48 VanDerWaalsContact C-N 3.31Å; R46-Q48 PolarHBondContact O-N 2.77Å; Q48-V50 PolarHBondContact O-N 3.4Å; Q48-H51 PolarHBondContact O-N 3.5Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.32Å; Q48-E52 PolarHBondContact NE2-OE1 3.39Å; Q48-E52 WeakPolarHBondContact O-CG 3.33Å; Q48-E52 PolarHBondContact O-N 3.16Å
49I94Very high93.5Very high0 Ų065.1 Ų65.10%031%0.306CS..Hα-helixtrans-60.4-45177.2-67.2164.8000111R29 Y45 R46 R47 H51 E52 I53 L80 E83 K84 W87R29-I49 VanDerWaalsContact CZ-CG1 3.46Å; Y45-I49 WeakPolarHBondContact O-CG1 3.41Å; Y45-I49 PolarHBondContact O-N 3.19Å; R46-I49 PolarHBondContact O-N 3.33Å; R47-I49 VanDerWaalsContact C-N 3.35Å; R47-I49 PolarHBondContact O-N 3.14Å; I49-H51 VanDerWaalsContact C-N 3.27Å; I49-H51 PolarHBondContact O-N 3.28Å; I49-E52 WeakPolarHBondContact O-CB 3.16Å; I49-E52 PolarHBondContact O-N 2.93Å; I49-E52 VanDerWaalsContact O-N 3.09Å; I49-I53 HydrophobicContact CG2-CD1 3.76Å; I49-I53 HydrophobicContact CG2-CG1 4.25Å; I49-I53 WeakPolarHBondContact O-CG1 3.26Å; I49-I53 PolarHBondContact O-N 2.99Å; I49-L80 HydrophobicContact CG2-CB 4.22Å; I49-L80 HydrophobicContact CG2-CD2 4.3Å; I49-L80 WeakPolarHBondContact CG2-O 3.44Å; I49-E83 HydrophobicContact CD1-CB 4.17Å; I49-K84 HydrophobicContact CG2-CB 3.85Å; I49-W87 HydrophobicContact CD1-CG 3.99Å
50V93.4Very high93.6Very high36 Ų3662.1 Ų62.122%0.21829%0.29CS..Hα-helixtrans-59-39.1178.1171.90000111.7R46 R47 Q48 I53 S54 L107R46-V50 WeakPolarHBondContact O-CG2 3.5Å; R46-V50 PolarHBondContact O-N 3.46Å; R47-V50 PolarHBondContact O-N 3.29Å; Q48-V50 PolarHBondContact O-N 3.4Å; V50-I53 PolarHBondContact O-N 3.32Å; V50-S54 PolarHBondContact O-N 3.37Å; V50-L107 HydrophobicContact CG1-CD1 4.17Å
51H93.5Very high93.6Very high109 Ų10958 Ų5851%0.50527%0.274SS..Hα-helixtrans-71-34.5175.7-7275.9000112.8R47 Q48 I49 R55R47-H51 VanDerWaalsContact CG-CE1 3.41Å; R47-H51 WeakPolarHBondContact CG-CE1 3.48Å; R47-H51 PolarHBondContact O-N 3.17Å; R47-H51 VanDerWaalsContact O-N 3.09Å; R47-H51 PolarHBondContact O-ND1 2.8Å; Q48-H51 PolarHBondContact O-N 3.5Å; I49-H51 VanDerWaalsContact C-N 3.27Å; I49-H51 PolarHBondContact O-N 3.28Å; H51-R55 WeakPolarHBondContact O-CG 3.48Å; H51-R55 PolarHBondContact O-N 2.88Å; H51-R55 PolarHBondContact O-NE 3.31Å
52E95.1Very high93.6Very high33 Ų3359.7 Ų59.715%0.15428%0.283CS..Hα-helixtrans-63.9-44.5171.9-73.1169-153.600111R29 Q48 I49 R55 K56 L80R29-E52 IonicContact CZ-OE1 3.38Å; R29-E52 IonicContact CZ-OE2 3.38Å; R29-E52 IonicContact NH1-OE1 3.53Å; R29-E52 PolarHBondContact NH1-OE1 2.98Å; R29-E52 IonicContact NH1-OE2 3.4Å; R29-E52 PolarHBondContact NH1-OE2 3.2Å; R29-E52 IonicContact NH2-OE1 2.7Å; R29-E52 IonicContact NH2-OE2 3.91Å; R29-E52 PolarHBondContact NH2-OE2 3.42Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.32Å; Q48-E52 PolarHBondContact NE2-OE1 3.39Å; Q48-E52 WeakPolarHBondContact O-CG 3.33Å; Q48-E52 PolarHBondContact O-N 3.16Å; I49-E52 WeakPolarHBondContact O-CB 3.16Å; I49-E52 PolarHBondContact O-N 2.93Å; I49-E52 VanDerWaalsContact O-N 3.09Å; E52-R55 VanDerWaalsContact CG-NH2 3.33Å; E52-R55 PolarHBondContact O-N 3.32Å; E52-K56 WeakPolarHBondContact O-CG 3.18Å; E52-K56 PolarHBondContact O-N 3.26Å; E52-K56 VanDerWaalsContact O-N 3.08Å; E52-L80 HydrophobicContact CB-CD1 3.87Å; E52-L80 HydrophobicContact CB-CD2 4.48Å; E52-L80 WeakPolarHBondContact OE2-CD2 3.35Å
53I94.5Very high93.4Very high0 Ų064.5 Ų64.50%031%0.314CS..Hα-helixtrans-60-51.8176.6-65.5164.7000110.5I49 V50 R55 K56 I57 I77 L80 I81 K84 L107I49-I53 HydrophobicContact CG2-CD1 3.76Å; I49-I53 HydrophobicContact CG2-CG1 4.25Å; I49-I53 WeakPolarHBondContact O-CG1 3.26Å; I49-I53 PolarHBondContact O-N 2.99Å; V50-I53 PolarHBondContact O-N 3.32Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 3.36Å; I53-K56 PolarHBondContact O-N 3.24Å; I53-K56 VanDerWaalsContact O-N 3.08Å; I53-I57 HydrophobicContact CG2-CD1 3.61Å; I53-I57 HydrophobicContact CG2-CG1 4.11Å; I53-I57 WeakPolarHBondContact O-CG1 3.32Å; I53-I57 PolarHBondContact O-N 3.15Å; I53-I77 HydrophobicContact CG2-CG2 4.36Å; I53-L80 HydrophobicContact CD1-CB 4.06Å; I53-L80 HydrophobicContact CG1-CB 3.54Å; I53-L80 HydrophobicContact CG1-CD1 4.04Å; I53-L80 HydrophobicContact CG1-CG 4.43Å; I53-I81 HydrophobicContact CD1-CG1 3.86Å; I53-I81 HydrophobicContact CG1-CG1 4.46Å; I53-K84 HydrophobicContact CD1-CB 4.38Å; I53-K84 HydrophobicContact CD1-CD 4.38Å; I53-L107 HydrophobicContact CB-CD2 4.49Å; I53-L107 HydrophobicContact CG2-CD2 3.73Å
54S93.3Very high93.3Very high70 Ų7067.4 Ų67.449%0.4934%0.339SS..Hα-helixtrans-58-39.6-179.3175.10000112.5V50 A58V50-S54 PolarHBondContact O-N 3.37Å; S54-A58 PolarHBondContact O-N 3.16Å
55R95.1Very high93.1Very high154 Ų15463.8 Ų63.858%0.58133%0.328SS*.Hα-helixtrans-64.9-41.7175.1-76.8-176.4-69.6163.6-2.8112.8H51 E52 I53 A58 Q59H51-R55 WeakPolarHBondContact O-CG 3.48Å; H51-R55 PolarHBondContact O-N 2.88Å; H51-R55 PolarHBondContact O-NE 3.31Å; E52-R55 VanDerWaalsContact CG-NH2 3.33Å; E52-R55 PolarHBondContact O-N 3.32Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 3.36Å; R55-A58 PolarHBondContact O-N 3.32Å; R55-Q59 WeakPolarHBondContact O-CG 3.03Å; R55-Q59 PolarHBondContact O-N 2.99Å
56K95.7Very high93Very high45 Ų4565.5 Ų65.520%0.19635%0.349CS..Hα-helixtrans-70.9-38.5178.3-68.3-168.4-172.5-1740111.9E52 I53 A58 Q59 I60 L73 D76 I77 L80E52-K56 WeakPolarHBondContact O-CG 3.18Å; E52-K56 PolarHBondContact O-N 3.26Å; E52-K56 VanDerWaalsContact O-N 3.08Å; I53-K56 PolarHBondContact O-N 3.24Å; I53-K56 VanDerWaalsContact O-N 3.08Å; K56-A58 VanDerWaalsContact C-N 3.33Å; K56-A58 PolarHBondContact O-N 2.94Å; K56-Q59 WeakPolarHBondContact O-CB 3.39Å; K56-Q59 PolarHBondContact O-N 3.24Å; K56-I60 PolarHBondContact O-N 2.99Å; K56-L73 HydrophobicContact CD-CD2 4.41Å; K56-L73 HydrophobicContact CG-CD2 4.35Å; K56-D76 HydrophobicContact CD-CB 3.83Å; K56-D76 IonicContact NZ-OD1 3.54Å; K56-D76 IonicContact NZ-OD2 3.84Å; K56-D76 PolarHBondContact NZ-OD2 2.97Å; K56-I77 HydrophobicContact CB-CD1 3.88Å; K56-I77 HydrophobicContact CB-CG1 3.57Å; K56-I77 HydrophobicContact CD-CG1 4.32Å; K56-L80 HydrophobicContact CD-CD1 3.93Å
57I93.1Very high92.9Very high14 Ų1468.6 Ų68.67%0.07237%0.366CS..Hα-helixtrans-56.5-49.7172.2-71.2175.4000109.7I53 Q59 I60 Q61 I77 L107 E110I53-I57 HydrophobicContact CG2-CD1 3.61Å; I53-I57 HydrophobicContact CG2-CG1 4.11Å; I53-I57 WeakPolarHBondContact O-CG1 3.32Å; I53-I57 PolarHBondContact O-N 3.15Å; I57-Q59 PolarHBondContact O-N 3.16Å; I57-I60 PolarHBondContact O-N 2.98Å; I57-I60 VanDerWaalsContact O-N 3.1Å; I57-Q61 WeakPolarHBondContact O-CG 3.48Å; I57-Q61 PolarHBondContact O-N 2.61Å; I57-Q61 VanDerWaalsContact O-N 3.08Å; I57-I77 HydrophobicContact CG1-CD1 3.82Å; I57-L107 HydrophobicContact CD1-CD2 3.93Å; I57-E110 WeakPolarHBondContact CG2-OE2 3.24Å
58A93.7Very high93Very high60 Ų6068.8 Ų68.850%0.49637%0.368SS..Hα-helixtrans-59.5-29.2177.500000113.4S54 R55 K56 N62S54-A58 PolarHBondContact O-N 3.16Å; R55-A58 PolarHBondContact O-N 3.32Å; K56-A58 VanDerWaalsContact C-N 3.33Å; K56-A58 PolarHBondContact O-N 2.94Å; A58-N62 PolarHBondContact O-ND2 3.39Å
59Q94.5Very high93.1Very high91 Ų9171.4 Ų71.443%0.42538%0.378SS..Hα-helixtrans-74.3-42.9174.1-70.7174.83.800112.4R55 K56 I57 Q61 N62 L73R55-Q59 WeakPolarHBondContact O-CG 3.03Å; R55-Q59 PolarHBondContact O-N 2.99Å; K56-Q59 WeakPolarHBondContact O-CB 3.39Å; K56-Q59 PolarHBondContact O-N 3.24Å; I57-Q59 PolarHBondContact O-N 3.16Å; Q59-Q61 VanDerWaalsContact C-N 3.27Å; Q59-Q61 PolarHBondContact O-N 2.99Å; Q59-N62 PolarHBondContact O-N 2.78Å; Q59-N62 PolarHBondContact O-ND2 3.39Å; Q59-L73 HydrophobicContact CB-CD1 3.86Å
60I94.1Very high93.1Very high1 Ų171.8 Ų71.81%0.00538%0.38CS..Hα-helixtrans-64.9-29.7179.1-71.2-171000112.5K56 I57 N62 L70 L73 N74 I77 Y123 A125 A126K56-I60 PolarHBondContact O-N 2.99Å; I57-I60 PolarHBondContact O-N 2.98Å; I57-I60 VanDerWaalsContact O-N 3.1Å; I60-N62 PolarHBondContact O-N 3.27Å; I60-N62 VanDerWaalsContact O-N 3.09Å; I60-L70 HydrophobicContact CG2-CD2 4.42Å; I60-L73 HydrophobicContact CD1-CB 3.62Å; I60-L73 HydrophobicContact CG1-CB 3.47Å; I60-L73 VanDerWaalsContact CG1-CB 3.47Å; I60-L73 HydrophobicContact CG1-CD1 3.82Å; I60-L73 HydrophobicContact CG1-CG 4.29Å; I60-N74 HydrophobicContact CD1-CB 4.27Å; I60-I77 HydrophobicContact CD1-CD1 3.24Å; I60-I77 HydrophobicContact CD1-CG1 4.32Å; I60-I77 HydrophobicContact CG1-CD1 4.07Å; I60-Y123 WeakPolarHBondContact CG2-O 3.49Å; I60-A125 VanDerWaalsContact O-CB 3.25Å; I60-A125 WeakPolarHBondContact O-CB 3.36Å; I60-A125 PolarHBondContact O-N 3.29Å; I60-A126 HydrophobicContact CG2-CB 4.31Å
61Q91.6Very high93.2Very high94 Ų9474.3 Ų74.344%0.43939%0.386SS..THydrogen-bonded Turntrans-64.3-11.4177-64.9-62.5-8.200113.4I57 Q59 P63I57-Q61 WeakPolarHBondContact O-CG 3.48Å; I57-Q61 PolarHBondContact O-N 2.61Å; I57-Q61 VanDerWaalsContact O-N 3.08Å; Q59-Q61 VanDerWaalsContact C-N 3.27Å; Q59-Q61 PolarHBondContact O-N 2.99Å; Q61-P63 VanDerWaalsContact O-CD 3.25Å; Q61-P63 WeakPolarHBondContact O-CD 3.31Å
62N91.8Very high93.3Very high91 Ų9172 Ų7249%0.48738%0.377SS..  trans-88.8108175.1-53.8-67.8000110.2A58 Q59 I60 S64 L65A58-N62 PolarHBondContact O-ND2 3.39Å; Q59-N62 PolarHBondContact O-N 2.78Å; Q59-N62 PolarHBondContact O-ND2 3.39Å; I60-N62 PolarHBondContact O-N 3.27Å; I60-N62 VanDerWaalsContact O-N 3.09Å; N62-S64 PolarHBondContact O-N 3.09Å; N62-L65 WeakPolarHBondContact O-CB 3.44Å; N62-L65 PolarHBondContact O-N 3.13Å
63P89.8Confident93.3Very high100 Ų10071 Ų7165%0.64937%0.373SS*.THydrogen-bonded Turntrans-70.9-16.9-177.930-36.6000113.2Q61 L65 A125Q61-P63 VanDerWaalsContact O-CD 3.25Å; Q61-P63 WeakPolarHBondContact O-CD 3.31Å; P63-L65 PolarHBondContact O-N 3.4Å; P63-L65 VanDerWaalsContact O-N 3.16Å; P63-A125 HydrophobicContact CB-CB 4.25Å
64S90.8Very high93.3Very high120 Ų12071.1 Ų71.184%0.83937%0.373SS*.THydrogen-bonded Turntrans-70.8-4.8177.4-46.30000113.6N62N62-S64 PolarHBondContact O-N 3.09Å
65L87.6Confident93.4Very high40 Ų4071.5 Ų71.521%0.20937%0.37CS..SBendtrans-77.6123.2174.8-153.865.1000108.5N62 P63 K69 L70 L73N62-L65 WeakPolarHBondContact O-CB 3.44Å; N62-L65 PolarHBondContact O-N 3.13Å; P63-L65 PolarHBondContact O-N 3.4Å; P63-L65 VanDerWaalsContact O-N 3.16Å; L65-K69 HydrophobicContact CD1-CD 3.52Å; L65-K69 HydrophobicContact CD1-CG 4.2Å; L65-K69 HydrophobicContact CD2-CB 4.29Å; L65-K69 HydrophobicContact CD2-CD 3.92Å; L65-K69 HydrophobicContact CD2-CG 3.7Å; L65-K69 HydrophobicContact CG-CB 4Å; L65-K69 HydrophobicContact CG-CD 3.67Å; L65-K69 HydrophobicContact CG-CG 3.78Å; L65-L70 HydrophobicContact CB-CD2 3.93Å; L65-L70 HydrophobicContact CB-CG 4.13Å; L65-L70 HydrophobicContact CD2-CD2 4.09Å; L65-L70 VanDerWaalsContact O-CD1 3.31Å; L65-L70 WeakPolarHBondContact O-CD1 3.21Å; L65-L70 WeakPolarHBondContact O-CG 3.43Å; L65-L73 HydrophobicContact CD2-CD1 3.32Å
66G91.2Very high93.5Very high50 Ų5067.2 Ų67.252%0.51536%0.359SS..  trans-53.2149.3-178.300000112.9Y68 K69 L70G66-Y68 VanDerWaalsContact C-N 3.3Å; G66-Y68 PolarHBondContact O-N 3.04Å; G66-Y68 VanDerWaalsContact O-N 3.16Å; G66-K69 WeakPolarHBondContact O-CB 3.35Å; G66-K69 PolarHBondContact O-N 3.43Å; G66-L70 PolarHBondContact O-N 3.25Å; G66-L70 VanDerWaalsContact O-N 3.16Å
67E92.9Very high93.5Very high107 Ų10765 Ų6550%0.535%0.349SS..Hα-helixtrans-51.4-44.6-170.1-63.5178.7-164.200114K69 L70 R71 L129 P130E67-K69 VanDerWaalsContact C-N 3.27Å; E67-K69 PolarHBondContact O-N 2.89Å; E67-L70 WeakPolarHBondContact O-CB 3.25Å; E67-L70 PolarHBondContact O-N 3.07Å; E67-L70 VanDerWaalsContact O-N 3.15Å; E67-R71 WeakPolarHBondContact O-CG 3.42Å; E67-R71 PolarHBondContact O-N 3.04Å; E67-L129 HydrophobicContact CB-CD2 3.74Å; E67-L129 HydrophobicContact CG-CD2 3.88Å; E67-P130 WeakPolarHBondContact OE2-CG 3.43Å
68Y94.4Very high93.5Very high174 Ų17464.5 Ų64.568%0.68235%0.346SS*.Hα-helixtrans-56.3-43.7178.7-179.9-101.8000111.9G66 R71 D72G66-Y68 VanDerWaalsContact C-N 3.3Å; G66-Y68 PolarHBondContact O-N 3.04Å; G66-Y68 VanDerWaalsContact O-N 3.16Å; Y68-R71 WeakPolarHBondContact O-CB 3.34Å; Y68-R71 PolarHBondContact O-N 3.09Å; Y68-D72 WeakPolarHBondContact CE1-OD2 3.25Å; Y68-D72 PolarHBondContact O-N 3.21Å
69K94.7Very high93.6Very high110 Ų11066.9 Ų66.948%0.47835%0.346SS..Hα-helixtrans-72.8-31.2-179.3-172.1168.5173.5-178.10112.1L65 G66 E67 L73L65-K69 HydrophobicContact CD1-CD 3.52Å; L65-K69 HydrophobicContact CD1-CG 4.2Å; L65-K69 HydrophobicContact CD2-CB 4.29Å; L65-K69 HydrophobicContact CD2-CD 3.92Å; L65-K69 HydrophobicContact CD2-CG 3.7Å; L65-K69 HydrophobicContact CG-CB 4Å; L65-K69 HydrophobicContact CG-CD 3.67Å; L65-K69 HydrophobicContact CG-CG 3.78Å; G66-K69 WeakPolarHBondContact O-CB 3.35Å; G66-K69 PolarHBondContact O-N 3.43Å; E67-K69 VanDerWaalsContact C-N 3.27Å; E67-K69 PolarHBondContact O-N 2.89Å; K69-L73 WeakPolarHBondContact O-CB 3.2Å; K69-L73 VanDerWaalsContact O-CG 3.23Å; K69-L73 WeakPolarHBondContact O-CG 3.3Å; K69-L73 PolarHBondContact O-N 2.81Å
70L94.9Very high93.6Very high8 Ų862.9 Ų62.94%0.04233%0.327CS..Hα-helixtrans-64.8-40.7170.8-69.7174000111.4I60 L65 G66 E67 L73 N74 A125 L129I60-L70 HydrophobicContact CG2-CD2 4.42Å; L65-L70 HydrophobicContact CB-CD2 3.93Å; L65-L70 HydrophobicContact CB-CG 4.13Å; L65-L70 HydrophobicContact CD2-CD2 4.09Å; L65-L70 VanDerWaalsContact O-CD1 3.31Å; L65-L70 WeakPolarHBondContact O-CD1 3.21Å; L65-L70 WeakPolarHBondContact O-CG 3.43Å; G66-L70 PolarHBondContact O-N 3.25Å; G66-L70 VanDerWaalsContact O-N 3.16Å; E67-L70 WeakPolarHBondContact O-CB 3.25Å; E67-L70 PolarHBondContact O-N 3.07Å; E67-L70 VanDerWaalsContact O-N 3.15Å; L70-L73 PolarHBondContact O-N 3.34Å; L70-N74 WeakPolarHBondContact O-CB 3.32Å; L70-N74 PolarHBondContact O-N 3.4Å; L70-A125 HydrophobicContact CD1-CB 3.98Å; L70-A125 HydrophobicContact CD2-CB 4.1Å; L70-L129 HydrophobicContact CB-CD1 4.12Å; L70-L129 HydrophobicContact CB-CD2 4.14Å; L70-L129 HydrophobicContact CB-CG 4.49Å; L70-L129 HydrophobicContact CD1-CD2 4.04Å
71R94.1Very high93.5Very high89 Ų8963.4 Ų63.434%0.33633%0.33SS..Hα-helixtrans-61.8-50.9175-66.5178.5-169.6-79.50.6111.4E67 Y68 L73 N74 D75 L129 P130E67-R71 WeakPolarHBondContact O-CG 3.42Å; E67-R71 PolarHBondContact O-N 3.04Å; Y68-R71 WeakPolarHBondContact O-CB 3.34Å; Y68-R71 PolarHBondContact O-N 3.09Å; R71-L73 VanDerWaalsContact C-N 3.32Å; R71-L73 PolarHBondContact O-N 2.95Å; R71-N74 WeakPolarHBondContact O-CB 3.32Å; R71-N74 PolarHBondContact O-N 3.02Å; R71-N74 VanDerWaalsContact O-N 3.09Å; R71-D75 PolarHBondContact O-N 3.21Å; R71-L129 HydrophobicContact CG-CD1 3.6Å; R71-P130 PolarHBondContact NH2-O 3.1Å
72D96.1Very high93.5Very high61 Ų6164.6 Ų64.633%0.32633%0.33SS..Hα-helixtrans-57-45.4177.6-70.4-15.4000112Y68 N74 D75 D76Y68-D72 WeakPolarHBondContact CE1-OD2 3.25Å; Y68-D72 PolarHBondContact O-N 3.21Å; D72-N74 VanDerWaalsContact C-N 3.33Å; D72-N74 PolarHBondContact O-N 2.87Å; D72-D75 PolarHBondContact O-N 3.21Å; D72-D76 VanDerWaalsContact O-CB 3.23Å; D72-D76 WeakPolarHBondContact O-CB 3.38Å; D72-D76 PolarHBondContact O-N 3.47Å
73L96.1Very high93.6Very high13 Ų1362.5 Ų62.57%0.06832%0.318CS..Hα-helixtrans-64.9-37.4178.2-74.8177.3000112K56 Q59 I60 L65 K69 L70 R71 D76 I77K56-L73 HydrophobicContact CD-CD2 4.41Å; K56-L73 HydrophobicContact CG-CD2 4.35Å; Q59-L73 HydrophobicContact CB-CD1 3.86Å; I60-L73 HydrophobicContact CD1-CB 3.62Å; I60-L73 HydrophobicContact CG1-CB 3.47Å; I60-L73 VanDerWaalsContact CG1-CB 3.47Å; I60-L73 HydrophobicContact CG1-CD1 3.82Å; I60-L73 HydrophobicContact CG1-CG 4.29Å; L65-L73 HydrophobicContact CD2-CD1 3.32Å; K69-L73 WeakPolarHBondContact O-CB 3.2Å; K69-L73 VanDerWaalsContact O-CG 3.23Å; K69-L73 WeakPolarHBondContact O-CG 3.3Å; K69-L73 PolarHBondContact O-N 2.81Å; L70-L73 PolarHBondContact O-N 3.34Å; R71-L73 VanDerWaalsContact C-N 3.32Å; R71-L73 PolarHBondContact O-N 2.95Å; L73-D76 WeakPolarHBondContact O-CB 3.23Å; L73-D76 PolarHBondContact O-N 2.96Å; L73-I77 VanDerWaalsContact O-CG1 3.27Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 3.29Å
74N94.7Very high93.8Very high1 Ų158.5 Ų58.51%0.00529%0.29CS..Hα-helixtrans-66.7-43.3178.4-165.268.1000111.3I60 L70 R71 D72 D76 I77 N78 Y120 R121 Y122 Y123 A126I60-N74 HydrophobicContact CD1-CB 4.27Å; L70-N74 WeakPolarHBondContact O-CB 3.32Å; L70-N74 PolarHBondContact O-N 3.4Å; R71-N74 WeakPolarHBondContact O-CB 3.32Å; R71-N74 PolarHBondContact O-N 3.02Å; R71-N74 VanDerWaalsContact O-N 3.09Å; D72-N74 VanDerWaalsContact C-N 3.33Å; D72-N74 PolarHBondContact O-N 2.87Å; N74-D76 VanDerWaalsContact C-N 3.33Å; N74-D76 PolarHBondContact O-N 3.09Å; N74-I77 PolarHBondContact O-N 3.44Å; N74-N78 PolarHBondContact ND2-ND2 2.74Å; N74-N78 PolarHBondContact O-N 2.93Å; N74-N78 PolarHBondContact O-ND2 3.49Å; N74-Y120 WeakPolarHBondContact ND2-CE1 3.46Å; N74-Y120 PolarHBondContact ND2-OH 2.92Å; N74-R121 PolarHBondContact ND2-O 3.32Å; N74-R121 PolarHBondContact OD1-O 3.02Å; N74-Y122 VanDerWaalsContact ND2-CD1 3.34Å; N74-Y122 WeakPolarHBondContact ND2-CD1 3.37Å; N74-Y122 WeakPolarHBondContact OD1-CA 3.47Å; N74-Y123 WeakPolarHBondContact OD1-CD2 3.5Å; N74-Y123 PolarHBondContact OD1-N 2.65Å; N74-Y123 VanDerWaalsContact OD1-N 3.14Å; N74-A126 HydrophobicContact CB-CB 3.94Å
75D95.5Very high93.8Very high79 Ų7954.5 Ų54.542%0.42226%0.262SS..Hα-helixtrans-60.6-44.9174-75.2-25.3000111.6R71 D72 I77 N78 K79 Y120R71-D75 PolarHBondContact O-N 3.21Å; D72-D75 PolarHBondContact O-N 3.21Å; D75-I77 PolarHBondContact O-N 3.01Å; D75-N78 PolarHBondContact O-N 3Å; D75-K79 WeakPolarHBondContact O-CB 3.45Å; D75-K79 PolarHBondContact O-N 3.16Å; D75-Y120 WeakPolarHBondContact OD1-CE2 3.42Å; D75-Y120 PolarHBondContact OD1-OH 3.35Å
76D96.3Very high94.1Very high63 Ų6358.1 Ų58.134%0.33728%0.278SS..Hα-helixtrans-60.4-41.9176.2-97.6-9.6000113K56 D72 L73 N74 K79 L80K56-D76 HydrophobicContact CD-CB 3.83Å; K56-D76 IonicContact NZ-OD1 3.54Å; K56-D76 IonicContact NZ-OD2 3.84Å; K56-D76 PolarHBondContact NZ-OD2 2.97Å; D72-D76 VanDerWaalsContact O-CB 3.23Å; D72-D76 WeakPolarHBondContact O-CB 3.38Å; D72-D76 PolarHBondContact O-N 3.47Å; L73-D76 WeakPolarHBondContact O-CB 3.23Å; L73-D76 PolarHBondContact O-N 2.96Å; N74-D76 VanDerWaalsContact C-N 3.33Å; N74-D76 PolarHBondContact O-N 3.09Å; D76-K79 PolarHBondContact O-N 2.93Å; D76-L80 VanDerWaalsContact O-CG 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.37Å; D76-L80 PolarHBondContact O-N 2.83Å
77I94.8Very high94.3Very high0 Ų056 Ų560%025%0.254CS..Hα-helixtrans-65.9-47.1175.7-71.9173000110.1I53 K56 I57 I60 L73 N74 D75 K79 L80 I81 Y123I53-I77 HydrophobicContact CG2-CG2 4.36Å; K56-I77 HydrophobicContact CB-CD1 3.88Å; K56-I77 HydrophobicContact CB-CG1 3.57Å; K56-I77 HydrophobicContact CD-CG1 4.32Å; I57-I77 HydrophobicContact CG1-CD1 3.82Å; I60-I77 HydrophobicContact CD1-CD1 3.24Å; I60-I77 HydrophobicContact CD1-CG1 4.32Å; I60-I77 HydrophobicContact CG1-CD1 4.07Å; L73-I77 VanDerWaalsContact O-CG1 3.27Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 3.29Å; N74-I77 PolarHBondContact O-N 3.44Å; D75-I77 PolarHBondContact O-N 3.01Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 3.39Å; I77-L80 PolarHBondContact O-N 3.28Å; I77-L80 VanDerWaalsContact O-N 3.16Å; I77-I81 HydrophobicContact CG2-CD1 3.63Å; I77-I81 HydrophobicContact CG2-CG1 4.3Å; I77-I81 VanDerWaalsContact O-CG1 3.31Å; I77-I81 WeakPolarHBondContact O-CG1 3.46Å; I77-I81 PolarHBondContact O-N 3.35Å; I77-Y123 HydrophobicContact CB-CD2 4.23Å; I77-Y123 HydrophobicContact CB-CE2 4.33Å; I77-Y123 HydrophobicContact CD1-CD2 4.4Å; I77-Y123 HydrophobicContact CG2-CD2 3.6Å; I77-Y123 HydrophobicContact CG2-CE1 4.48Å; I77-Y123 HydrophobicContact CG2-CE2 3.41Å; I77-Y123 VanDerWaalsContact CG2-CE2 3.41Å; I77-Y123 HydrophobicContact CG2-CG 4.26Å
78N94.2Very high94.3Very high2 Ų251.2 Ų51.21%0.01123%0.232CC..Hα-helixtrans-59.9-39.5177.8-77.6-51.3000111.6N74 D75 I81 R82 Y120 R121N74-N78 PolarHBondContact ND2-ND2 2.74Å; N74-N78 PolarHBondContact O-N 2.93Å; N74-N78 PolarHBondContact O-ND2 3.49Å; D75-N78 PolarHBondContact O-N 3Å; N78-I81 PolarHBondContact O-N 3.25Å; N78-R82 WeakPolarHBondContact O-CG 3.37Å; N78-R82 PolarHBondContact O-N 2.99Å; N78-R82 VanDerWaalsContact O-N 3.12Å; N78-Y120 HydrophobicContact CB-CD2 4.37Å; N78-Y120 HydrophobicContact CB-CE2 4.23Å; N78-Y120 WeakPolarHBondContact ND2-CE1 3.36Å; N78-Y120 WeakPolarHBondContact ND2-CE2 3.49Å; N78-R121 PolarHBondContact ND2-O 3.48Å; N78-R121 PolarHBondContact OD1-N 2.92Å; N78-R121 PolarHBondContact OD1-O 3.11Å
79K94.6Very high94.3Very high110 Ų11045.6 Ų45.648%0.47821%0.213SC..Hα-helixtrans-60.5-50.1172.9-177.6178.6177.4179.70111.8D75 D76 I77 I81 R82 E83D75-K79 WeakPolarHBondContact O-CB 3.45Å; D75-K79 PolarHBondContact O-N 3.16Å; D76-K79 PolarHBondContact O-N 2.93Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 3.39Å; K79-I81 VanDerWaalsContact C-N 3.27Å; K79-I81 PolarHBondContact O-N 3.33Å; K79-R82 PolarHBondContact O-N 2.97Å; K79-E83 WeakPolarHBondContact CE-OE1 3.38Å; K79-E83 PolarHBondContact O-N 3.41Å
80L94.4Very high94.3Very high7 Ų741.2 Ų41.24%0.03720%0.195CC..Hα-helixtrans-62.7-33.3178.7-72.6172.5000112.6I49 E52 I53 K56 D76 I77 E83 K84I49-L80 HydrophobicContact CG2-CB 4.22Å; I49-L80 HydrophobicContact CG2-CD2 4.3Å; I49-L80 WeakPolarHBondContact CG2-O 3.44Å; E52-L80 HydrophobicContact CB-CD1 3.87Å; E52-L80 HydrophobicContact CB-CD2 4.48Å; E52-L80 WeakPolarHBondContact OE2-CD2 3.35Å; I53-L80 HydrophobicContact CD1-CB 4.06Å; I53-L80 HydrophobicContact CG1-CB 3.54Å; I53-L80 HydrophobicContact CG1-CD1 4.04Å; I53-L80 HydrophobicContact CG1-CG 4.43Å; K56-L80 HydrophobicContact CD-CD1 3.93Å; D76-L80 VanDerWaalsContact O-CG 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.37Å; D76-L80 PolarHBondContact O-N 2.83Å; I77-L80 PolarHBondContact O-N 3.28Å; I77-L80 VanDerWaalsContact O-N 3.16Å; L80-E83 PolarHBondContact O-N 2.88Å; L80-K84 VanDerWaalsContact O-CB 3.3Å; L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 PolarHBondContact O-N 3.27Å
81I92.6Very high94.3Very high13 Ų1340.9 Ų40.97%0.06719%0.193CC..Hα-helixtrans-70.7-37177.3-68.5169000111.7I53 I77 N78 K79 K84 S85 R121 Y123I53-I81 HydrophobicContact CD1-CG1 3.86Å; I53-I81 HydrophobicContact CG1-CG1 4.46Å; I77-I81 HydrophobicContact CG2-CD1 3.63Å; I77-I81 HydrophobicContact CG2-CG1 4.3Å; I77-I81 VanDerWaalsContact O-CG1 3.31Å; I77-I81 WeakPolarHBondContact O-CG1 3.46Å; I77-I81 PolarHBondContact O-N 3.35Å; N78-I81 PolarHBondContact O-N 3.25Å; K79-I81 VanDerWaalsContact C-N 3.27Å; K79-I81 PolarHBondContact O-N 3.33Å; I81-K84 WeakPolarHBondContact O-CB 3.35Å; I81-K84 PolarHBondContact O-N 3.2Å; I81-S85 PolarHBondContact O-N 3.19Å; I81-R121 VanDerWaalsContact CG2-NH2 3.33Å; I81-Y123 HydrophobicContact CD1-CE1 4.36Å; I81-Y123 HydrophobicContact CD1-CE2 4.09Å; I81-Y123 WeakPolarHBondContact CD1-OH 3.38Å
82R92.2Very high94.2Very high118 Ų11841.6 Ų41.645%0.44520%0.199SC..Hα-helixtrans-63.8-47.2171.6-66.2179.6-159.91110.6110.9N78 K79 K84 S85 H86N78-R82 WeakPolarHBondContact O-CG 3.37Å; N78-R82 PolarHBondContact O-N 2.99Å; N78-R82 VanDerWaalsContact O-N 3.12Å; K79-R82 PolarHBondContact O-N 2.97Å; R82-K84 VanDerWaalsContact C-N 3.34Å; R82-K84 PolarHBondContact O-N 3.14Å; R82-S85 WeakPolarHBondContact O-CB 3.49Å; R82-S85 PolarHBondContact O-N 3.24Å; R82-S85 VanDerWaalsContact O-N 3.11Å; R82-H86 PolarHBondContact O-CD2 3.4Å; R82-H86 PolarHBondContact O-N 3.06Å
83E93.3Very high94.1Very high47 Ų4745 Ų4522%0.2222%0.217CC..Hα-helixtrans-55.3-49.2173.8-72.3-179.9-155.400111.1R29 I49 K79 L80 S85 H86 W87R29-E83 IonicContact CZ-OE2 2.81Å; R29-E83 IonicContact NE-OE2 3.74Å; R29-E83 IonicContact NH2-OE2 3.97Å; R29-E83 PolarHBondContact NH2-OE2 3.01Å; I49-E83 HydrophobicContact CD1-CB 4.17Å; K79-E83 WeakPolarHBondContact CE-OE1 3.38Å; K79-E83 PolarHBondContact O-N 3.41Å; L80-E83 PolarHBondContact O-N 2.88Å; E83-S85 VanDerWaalsContact C-N 3.3Å; E83-S85 PolarHBondContact O-N 2.96Å; E83-H86 WeakPolarHBondContact O-CB 3.08Å; E83-H86 PolarHBondContact O-N 2.92Å; E83-H86 VanDerWaalsContact O-N 3.1Å; E83-W87 PolarHBondContact O-N 3.06Å
84K93.6Very high94Very high17 Ų1747.4 Ų47.47%0.07423%0.229CC..Hα-helixtrans-52.6-47.7175.2178-152.2155.7-145.60111I49 I53 L80 I81 R82 H86 W87 E88 E108I49-K84 HydrophobicContact CG2-CB 3.85Å; I53-K84 HydrophobicContact CD1-CB 4.38Å; I53-K84 HydrophobicContact CD1-CD 4.38Å; L80-K84 VanDerWaalsContact O-CB 3.3Å; L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 PolarHBondContact O-N 3.27Å; I81-K84 WeakPolarHBondContact O-CB 3.35Å; I81-K84 PolarHBondContact O-N 3.2Å; R82-K84 VanDerWaalsContact C-N 3.34Å; R82-K84 PolarHBondContact O-N 3.14Å; K84-H86 VanDerWaalsContact C-N 3.34Å; K84-H86 PolarHBondContact O-N 2.95Å; K84-W87 PolarHBondContact O-N 3.2Å; K84-E88 WeakPolarHBondContact CE-OE1 3.42Å; K84-E88 VanDerWaalsContact CE-OE2 3.29Å; K84-E88 WeakPolarHBondContact CE-OE2 3.48Å; K84-E88 HydrophobicContact CG-CG 4.49Å; K84-E88 IonicContact NZ-OE1 3.67Å; K84-E88 IonicContact NZ-OE2 3.79Å; K84-E88 WeakPolarHBondContact O-CG 3.2Å; K84-E88 PolarHBondContact O-N 3.09Å; K84-E108 IonicContact NZ-OE1 2.86Å
85S92.3Very high93.8Very high36 Ų3650.6 Ų50.625%0.25226%0.262SS..Hα-helixtrans-58.9-44.6178.1179.90000111.8I81 R82 E83 W87 E88 D89 K100I81-S85 PolarHBondContact O-N 3.19Å; R82-S85 WeakPolarHBondContact O-CB 3.49Å; R82-S85 PolarHBondContact O-N 3.24Å; R82-S85 VanDerWaalsContact O-N 3.11Å; E83-S85 VanDerWaalsContact C-N 3.3Å; E83-S85 PolarHBondContact O-N 2.96Å; S85-W87 VanDerWaalsContact C-N 3.33Å; S85-W87 PolarHBondContact O-N 3.17Å; S85-E88 PolarHBondContact O-N 3.23Å; S85-D89 PolarHBondContact O-N 2.85Å; S85-D89 VanDerWaalsContact O-OD2 3.13Å; S85-K100 WeakPolarHBondContact OG-CE 3.47Å; S85-K100 PolarHBondContact OG-NZ 3.48Å; S85-K100 VanDerWaalsContact OG-NZ 3.09Å
86H93.9Very high93.6Very high115 Ų11547.5 Ų47.553%0.53225%0.249SC..Hα-helixtrans-62-39.8177-64.2-51000112.4R82 E83 K84 D89 H90R82-H86 PolarHBondContact O-CD2 3.4Å; R82-H86 PolarHBondContact O-N 3.06Å; E83-H86 WeakPolarHBondContact O-CB 3.08Å; E83-H86 PolarHBondContact O-N 2.92Å; E83-H86 VanDerWaalsContact O-N 3.1Å; K84-H86 VanDerWaalsContact C-N 3.34Å; K84-H86 PolarHBondContact O-N 2.95Å; H86-D89 PolarHBondContact O-N 3.1Å; H86-H90 WeakPolarHBondContact O-CB 3.41Å; H86-H90 PolarHBondContact O-N 3.38Å
87W94.6Very high93.4Very high6 Ų647.4 Ų47.42%0.02325%0.252CS..Hα-helixtrans-66.9-37.8174.8-77.9103.7000112.5R29 P30 A33 C36 Y45 R46 I49 E83 K84 S85 H90 I91R29-W87 HydrophobicContact CG-CZ2 4Å; P30-W87 HydrophobicContact CG-CH2 3.59Å; P30-W87 HydrophobicContact CG-CZ2 3.79Å; A33-W87 HydrophobicContact CB-CD2 3.85Å; A33-W87 HydrophobicContact CB-CE3 3.92Å; A33-W87 HydrophobicContact CB-CG 4.36Å; A33-W87 HydrophobicContact CB-CH2 4.34Å; A33-W87 HydrophobicContact CB-CZ2 4.27Å; A33-W87 HydrophobicContact CB-CZ3 4.16Å; C36-W87 HydrophobicContact CB-CH2 3.93Å; C36-W87 HydrophobicContact CB-CZ3 3.85Å; Y45-W87 AromaticContact CD2-CH2 3.47Å; Y45-W87 HydrophobicContact CD2-CH2 3.47Å; Y45-W87 VanDerWaalsContact CD2-CH2 3.47Å; Y45-W87 HydrophobicContact CD2-CZ2 4.04Å; Y45-W87 AromaticContact CD2-CZ3 3.83Å; Y45-W87 HydrophobicContact CD2-CZ3 3.83Å; Y45-W87 HydrophobicContact CE2-CH2 4.2Å; Y45-W87 HydrophobicContact CG-CH2 4.1Å; Y45-W87 HydrophobicContact CG-CZ2 4.24Å; R46-W87 HydrophobicContact CB-CB 4.46Å; I49-W87 HydrophobicContact CD1-CG 3.99Å; E83-W87 PolarHBondContact O-N 3.06Å; K84-W87 PolarHBondContact O-N 3.2Å; S85-W87 VanDerWaalsContact C-N 3.33Å; S85-W87 PolarHBondContact O-N 3.17Å; W87-H90 PolarHBondContact O-N 2.76Å; W87-I91 WeakPolarHBondContact O-CB 3.42Å; W87-I91 WeakPolarHBondContact O-CD1 3.42Å; W87-I91 WeakPolarHBondContact O-CG1 3.46Å; W87-I91 PolarHBondContact O-N 2.99Å
88E94Very high93.1Very high6 Ų650.5 Ų50.53%0.02827%0.269CS..Hα-helixtrans-66.9-41.2175.9-71-178.6159.100112R46 K84 S85 H90 I91 K92 F99 K100R46-E88 HydrophobicContact CG-CG 4.4Å; R46-E88 IonicContact CZ-OE1 2.74Å; R46-E88 IonicContact NE-OE1 2.74Å; R46-E88 PolarHBondContact NE-OE1 3.39Å; R46-E88 IonicContact NH2-OE1 2.62Å; R46-E88 PolarHBondContact NH2-OE1 3.07Å; K84-E88 WeakPolarHBondContact CE-OE1 3.42Å; K84-E88 VanDerWaalsContact CE-OE2 3.29Å; K84-E88 WeakPolarHBondContact CE-OE2 3.48Å; K84-E88 HydrophobicContact CG-CG 4.49Å; K84-E88 IonicContact NZ-OE1 3.67Å; K84-E88 IonicContact NZ-OE2 3.79Å; K84-E88 WeakPolarHBondContact O-CG 3.2Å; K84-E88 PolarHBondContact O-N 3.09Å; S85-E88 PolarHBondContact O-N 3.23Å; E88-H90 VanDerWaalsContact C-N 3.35Å; E88-I91 PolarHBondContact O-N 3.23Å; E88-K92 PolarHBondContact O-N 3.08Å; E88-F99 HydrophobicContact CB-CB 4.31Å; E88-F99 HydrophobicContact CG-CB 3.75Å; E88-F99 HydrophobicContact CG-CD2 4.3Å; E88-F99 HydrophobicContact CG-CG 4.42Å; E88-F99 WeakPolarHBondContact OE1-CB 3.28Å; E88-K100 HydrophobicContact CB-CG 4.33Å
89D93.7Very high92.8Very high56 Ų5651.8 Ų51.830%0.29927%0.274SS..Hα-helixtrans-63.3-41.6173.3-69.6-36.3000111.7S85 H86 K92 N93 K100S85-D89 PolarHBondContact O-N 2.85Å; S85-D89 VanDerWaalsContact O-OD2 3.13Å; H86-D89 PolarHBondContact O-N 3.1Å; D89-K92 WeakPolarHBondContact O-CB 3.23Å; D89-K92 PolarHBondContact O-N 3.29Å; D89-N93 PolarHBondContact O-N 3.13Å; D89-N93 PolarHBondContact O-ND2 3Å; D89-N93 PolarHBondContact O-OD1 2.52Å; D89-K100 WeakPolarHBondContact OD1-CE 3.28Å; D89-K100 IonicContact OD1-NZ 3.84Å; D89-K100 PolarHBondContact OD1-NZ 2.7Å; D89-K100 IonicContact OD2-NZ 3.52Å; D89-K100 PolarHBondContact OD2-NZ 2.92Å
90H93.8Very high92.3Very high19 Ų1951.4 Ų51.49%0.08827%0.272CS..Hα-helixtrans-67.1-39.8177.6-17257.6000112.6A33 C36 H86 W87 E88 K92 N93 L94A33-H90 HydrophobicContact CB-CB 3.94Å; A33-H90 PolarHBondContact O-CD2 3.07Å; A33-H90 PolarHBondContact O-NE2 2.98Å; A33-H90 VanDerWaalsContact O-NE2 3.11Å; C36-H90 PolarHBondContact O-NE2 2.96Å; H86-H90 WeakPolarHBondContact O-CB 3.41Å; H86-H90 PolarHBondContact O-N 3.38Å; W87-H90 PolarHBondContact O-N 2.76Å; E88-H90 VanDerWaalsContact C-N 3.35Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 3.38Å; H90-N93 PolarHBondContact O-N 2.82Å; H90-L94 WeakPolarHBondContact O-CG 3.44Å; H90-L94 PolarHBondContact O-N 3.17Å
91I94.7Very high91.8Very high0 Ų055.2 Ų55.20%031%0.305CS..Hα-helixtrans-62-41.4174.9-70.8159.4000110.7L39 L43 R46 W87 E88 L94 G95 G96 F99L39-I91 HydrophobicContact CD1-CG2 3.82Å; L43-I91 HydrophobicContact CD2-CD1 4.12Å; L43-I91 HydrophobicContact CD2-CG2 4.33Å; R46-I91 HydrophobicContact CB-CD1 3.9Å; R46-I91 HydrophobicContact CG-CD1 4.38Å; W87-I91 WeakPolarHBondContact O-CB 3.42Å; W87-I91 WeakPolarHBondContact O-CD1 3.42Å; W87-I91 WeakPolarHBondContact O-CG1 3.46Å; W87-I91 PolarHBondContact O-N 2.99Å; E88-I91 PolarHBondContact O-N 3.23Å; I91-L94 PolarHBondContact O-N 3.15Å; I91-G95 PolarHBondContact O-N 2.79Å; I91-G96 WeakPolarHBondContact O-CA 3.38Å; I91-G96 PolarHBondContact O-N 3.18Å; I91-F99 HydrophobicContact CD1-CD2 4.22Å; I91-F99 HydrophobicContact CD1-CE2 3.98Å; I91-F99 HydrophobicContact CG2-CD2 4.29Å; I91-F99 HydrophobicContact CG2-CE2 3.91Å
92K93.4Very high90.9Very high105 Ų10561.1 Ų61.146%0.45733%0.332SS..Hα-helixtrans-59.5-44.9173.2174169.7-173.91470111.8E88 D89 H90 L94 G95 D98E88-K92 PolarHBondContact O-N 3.08Å; D89-K92 WeakPolarHBondContact O-CB 3.23Å; D89-K92 PolarHBondContact O-N 3.29Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 3.38Å; K92-L94 VanDerWaalsContact C-N 3.28Å; K92-L94 PolarHBondContact O-N 3.3Å; K92-G95 PolarHBondContact O-N 3.45Å; K92-D98 WeakPolarHBondContact CD-OD1 3.26Å; K92-D98 WeakPolarHBondContact CE-OD2 3.44Å; K92-D98 WeakPolarHBondContact CG-OD1 3.45Å; K92-D98 IonicContact NZ-OD1 2.86Å; K92-D98 IonicContact NZ-OD2 3.53Å; K92-D98 PolarHBondContact NZ-OD2 3.47Å
93N93.7Very high89.7Confident132 Ų13256.7 Ų56.771%0.70632%0.321SS*.Hα-helixtrans-63.5-31.9177.9-67.3-18.9000113.2D89 H90 G95D89-N93 PolarHBondContact O-N 3.13Å; D89-N93 PolarHBondContact O-ND2 3Å; D89-N93 PolarHBondContact O-OD1 2.52Å; H90-N93 PolarHBondContact O-N 2.82Å; N93-G95 PolarHBondContact O-N 3.01Å
94L93.2Very high88.5Confident63 Ų6358.6 Ų58.633%0.3334%0.337SS..THydrogen-bonded Turntrans-77.71.9173.8-66.8176.5000113.6L39 H90 I91 K92L39-L94 HydrophobicContact CD1-CB 4.41Å; H90-L94 WeakPolarHBondContact O-CG 3.44Å; H90-L94 PolarHBondContact O-N 3.17Å; I91-L94 PolarHBondContact O-N 3.15Å; K92-L94 VanDerWaalsContact C-N 3.28Å; K92-L94 PolarHBondContact O-N 3.3Å
95G91.5Very high87.4Confident68 Ų6863.9 Ų63.970%0.70136%0.36SS*.THydrogen-bonded Turntrans80.422-177.700000114.3I91 K92 N93I91-G95 PolarHBondContact O-N 2.79Å; K92-G95 PolarHBondContact O-N 3.45Å; N93-G95 PolarHBondContact O-N 3.01Å
96G91.3Very high85.8Confident15 Ų1567.4 Ų67.416%0.15537%0.374CS..  trans-85.1-176.3174.300000114I91I91-G96 WeakPolarHBondContact O-CA 3.38Å; I91-G96 PolarHBondContact O-N 3.18Å
97P90.9Very high84.4Confident60 Ų6064 Ų6439%0.3936%0.36SS..  trans-64.8142.7179.2-20.832.8000113.6F99P97-F99 HydrophobicContact CB-CE1 4.25Å; P97-F99 HydrophobicContact CB-CE2 4.42Å; P97-F99 HydrophobicContact CB-CZ 4.11Å; P97-F99 HydrophobicContact CG-CZ 4.25Å; P97-F99 WeakPolarHBondContact O-CD2 3.38Å; P97-F99 PolarHBondContact O-N 3.35Å
98D89.8Confident83.2Confident65 Ų6566.2 Ų66.235%0.34837%0.37SS..  trans-79.280.2178.2-85.29000111.5K92 K100 A101 E102K92-D98 WeakPolarHBondContact CD-OD1 3.26Å; K92-D98 WeakPolarHBondContact CE-OD2 3.44Å; K92-D98 WeakPolarHBondContact CG-OD1 3.45Å; K92-D98 IonicContact NZ-OD1 2.86Å; K92-D98 IonicContact NZ-OD2 3.53Å; K92-D98 PolarHBondContact NZ-OD2 3.47Å; D98-K100 PolarHBondContact O-N 3.45Å; D98-A101 HydrophobicContact CB-CB 4.37Å; D98-A101 PolarHBondContact O-N 3.47Å; D98-A101 VanDerWaalsContact O-N 3.08Å; D98-E102 WeakPolarHBondContact O-CB 3.43Å; D98-E102 PolarHBondContact O-N 3.42Å
99F87.6Confident82.2Confident29 Ų2973 Ų7313%0.12740%0.4CS..Hα-helixtrans-63.5-24.5-177.7-67.5-62.2000114.8L43 R46 E88 I91 P97 A101 A103L43-F99 HydrophobicContact CD2-CE2 3.46Å; L43-F99 VanDerWaalsContact CD2-CE2 3.46Å; L43-F99 HydrophobicContact CD2-CZ 3.49Å; L43-F99 VanDerWaalsContact CD2-CZ 3.49Å; R46-F99 VanDerWaalsContact CD-CD2 3.49Å; R46-F99 VanDerWaalsContact NE-CG 3.35Å; R46-F99 VanDerWaalsContact NH2-CD1 3.29Å; E88-F99 HydrophobicContact CB-CB 4.31Å; E88-F99 HydrophobicContact CG-CB 3.75Å; E88-F99 HydrophobicContact CG-CD2 4.3Å; E88-F99 HydrophobicContact CG-CG 4.42Å; E88-F99 WeakPolarHBondContact OE1-CB 3.28Å; I91-F99 HydrophobicContact CD1-CD2 4.22Å; I91-F99 HydrophobicContact CD1-CE2 3.98Å; I91-F99 HydrophobicContact CG2-CD2 4.29Å; I91-F99 HydrophobicContact CG2-CE2 3.91Å; P97-F99 HydrophobicContact CB-CE1 4.25Å; P97-F99 HydrophobicContact CB-CE2 4.42Å; P97-F99 HydrophobicContact CB-CZ 4.11Å; P97-F99 HydrophobicContact CG-CZ 4.25Å; P97-F99 WeakPolarHBondContact O-CD2 3.38Å; P97-F99 PolarHBondContact O-N 3.35Å; F99-A101 VanDerWaalsContact C-N 3.26Å; F99-A101 PolarHBondContact O-N 3.31Å; F99-A103 WeakPolarHBondContact O-CA 3.49Å; F99-A103 WeakPolarHBondContact O-CB 3.3Å; F99-A103 PolarHBondContact O-N 3.05Å
100K84.5Confident81.3Confident102 Ų10274.3 Ų74.344%0.44340%0.404SS..Hα-helixtrans-66.6-29.7175.2-72-175174.6178.10112.9S85 E88 D89 D98S85-K100 WeakPolarHBondContact OG-CE 3.47Å; S85-K100 PolarHBondContact OG-NZ 3.48Å; S85-K100 VanDerWaalsContact OG-NZ 3.09Å; E88-K100 HydrophobicContact CB-CG 4.33Å; D89-K100 WeakPolarHBondContact OD1-CE 3.28Å; D89-K100 IonicContact OD1-NZ 3.84Å; D89-K100 PolarHBondContact OD1-NZ 2.7Å; D89-K100 IonicContact OD2-NZ 3.52Å; D89-K100 PolarHBondContact OD2-NZ 2.92Å; D98-K100 PolarHBondContact O-N 3.45Å
101A82.7Confident80.6Confident87 Ų8773.9 Ų73.972%0.71941%0.405SS*.Hα-helixtrans-91.2-41.9177.900000111.4D98 F99D98-A101 HydrophobicContact CB-CB 4.37Å; D98-A101 PolarHBondContact O-N 3.47Å; D98-A101 VanDerWaalsContact O-N 3.08Å; F99-A101 VanDerWaalsContact C-N 3.26Å; F99-A101 PolarHBondContact O-N 3.31Å
102E75.2Confident80Confident137 Ų13778 Ų7864%0.6442%0.423SS*.Hα-helixtrans-84.5-36.3-173.4-172.6169.4-166.800113.4D98 P104D98-E102 WeakPolarHBondContact O-CB 3.43Å; D98-E102 PolarHBondContact O-N 3.42Å; E102-P104 VanDerWaalsContact O-CD 3.28Å; E102-P104 WeakPolarHBondContact O-CD 3.49Å
103A66.5Low79.5Confident25 Ų2576.8 Ų76.821%0.20742%0.419CS..SBendtrans-70.4120-178.900000108.5F99 K105F99-A103 WeakPolarHBondContact O-CA 3.49Å; F99-A103 WeakPolarHBondContact O-CB 3.3Å; F99-A103 PolarHBondContact O-N 3.05Å; A103-K105 PolarHBondContact O-N 3.43Å
104P67.2Low78.6Confident87 Ų8771.1 Ų71.157%0.56539%0.389SS*.  trans-60133.1170.97.6-0.8000106.6E102 M106E102-P104 VanDerWaalsContact O-CD 3.28Å; E102-P104 WeakPolarHBondContact O-CD 3.49Å; P104-M106 HydrophobicContact CB-CE 3.92Å; P104-M106 HydrophobicContact CB-CG 3.96Å; P104-M106 HydrophobicContact CB-SD 4.38Å; P104-M106 HydrophobicContact CG-CE 4.48Å; P104-M106 HydrophobicContact CG-CG 4.4Å; P104-M106 PolarHBondContact O-N 2.93Å
105K70.5Confident77.4Confident129 Ų12972.3 Ų72.356%0.56140%0.4SS*.THydrogen-bonded Turntrans-62.729.3179.7-68.3-176.7176.7-177.60113.2A103 L107 E108 K109A103-K105 PolarHBondContact O-N 3.43Å; K105-L107 PolarHBondContact O-N 3.49Å; K105-E108 HydrophobicContact CB-CB 4.16Å; K105-E108 WeakPolarHBondContact CD-OE2 3.34Å; K105-E108 WeakPolarHBondContact CG-OE2 3.27Å; K105-E108 CarbonylContact O-C 3.54Å; K105-E108 WeakPolarHBondContact O-CA 3.23Å; K105-E108 PolarHBondContact O-N 3.42Å; K105-K109 WeakPolarHBondContact O-CG 3.42Å; K105-K109 PolarHBondContact O-N 3.01Å
106M59.1Low76.5Confident110 Ų11072.9 Ų72.954%0.54241%0.407SS..Hα-helixtrans-54-39.2-177.2-61.7-50.5-176.200111.9P104 E108 K109P104-M106 HydrophobicContact CB-CE 3.92Å; P104-M106 HydrophobicContact CB-CG 3.96Å; P104-M106 HydrophobicContact CB-SD 4.38Å; P104-M106 HydrophobicContact CG-CE 4.48Å; P104-M106 HydrophobicContact CG-CG 4.4Å; P104-M106 PolarHBondContact O-N 2.93Å; M106-E108 VanDerWaalsContact C-N 3.31Å; M106-E108 PolarHBondContact O-N 3.46Å; M106-K109 HydrophobicContact SD-CD 3.95Å
107L64.2Low75.4Confident43 Ų4376.9 Ų76.923%0.22542%0.424CS..Hα-helixtrans-70.6-25.4175.8-70.8148.3000113.2V50 I53 I57 K105V50-L107 HydrophobicContact CG1-CD1 4.17Å; I53-L107 HydrophobicContact CB-CD2 4.49Å; I53-L107 HydrophobicContact CG2-CD2 3.73Å; I57-L107 HydrophobicContact CD1-CD2 3.93Å; K105-L107 PolarHBondContact O-N 3.49Å
108E69.4Low74.5Confident53 Ų5385.6 Ų85.625%0.24845%0.45CS..Hα-helixtrans-90.6-29.7180-58.9175.2-179.400111.7K84 K105 M106 E110 G111K84-E108 IonicContact NZ-OE1 2.86Å; K105-E108 HydrophobicContact CB-CB 4.16Å; K105-E108 WeakPolarHBondContact CD-OE2 3.34Å; K105-E108 WeakPolarHBondContact CG-OE2 3.27Å; K105-E108 CarbonylContact O-C 3.54Å; K105-E108 WeakPolarHBondContact O-CA 3.23Å; K105-E108 PolarHBondContact O-N 3.42Å; M106-E108 VanDerWaalsContact C-N 3.31Å; M106-E108 PolarHBondContact O-N 3.46Å; E108-E110 PolarHBondContact O-N 2.95Å; E108-G111 PolarHBondContact O-N 3.38Å
109K73Confident74Confident149 Ų14984.2 Ų84.265%0.64845%0.451SS*.Hα-helixtrans-58.2-30.6176.6-74.9178.3-176.9-174.80112.7K105 M106 G111K105-K109 WeakPolarHBondContact O-CG 3.42Å; K105-K109 PolarHBondContact O-N 3.01Å; M106-K109 HydrophobicContact SD-CD 3.95Å; K109-G111 VanDerWaalsContact C-N 3.32Å
110E76Confident74.1Confident82 Ų8285.2 Ų85.238%0.38345%0.454SS..THydrogen-bonded Turntrans-77-16176.3-69.8-173.7-175.200113.4I57 E108 Y123 R127I57-E110 WeakPolarHBondContact CG2-OE2 3.24Å; E108-E110 PolarHBondContact O-N 2.95Å; E110-Y123 HydrophobicContact CB-CD1 4.34Å; E110-R127 PolarHBondContact O-NH1 3.02Å; E110-R127 PolarHBondContact O-NH2 3.45Å
111G79.2Confident74.4Confident11 Ų1181.7 Ų81.711%0.11344%0.438CS..PPolyproline II helixtrans-95.2127179.500000111E108 K109 Y122 Y123E108-G111 PolarHBondContact O-N 3.38Å; K109-G111 VanDerWaalsContact C-N 3.32Å; G111-Y122 WeakPolarHBondContact CA-O 3.41Å; G111-Y123 VanDerWaalsContact CA-CE1 3.42Å
112K81.1Confident74.9Confident86 Ų8679.2 Ų79.237%0.37441%0.41SS..EExtended strand (participates in β ladder)trans-91.5131.1169.3-157.6176.1172.6-170.50108.1R121 Y122 F136K112-R121 WeakPolarHBondContact O-CA 3.19Å; K112-Y122 PolarHBondContact N-O 3.14Å; K112-Y122 PolarHBondContact O-N 3.08Å; K112-F136 HydrophobicContact CB-CD1 4.19Å; K112-F136 HydrophobicContact CB-CE1 3.5Å; K112-F136 HydrophobicContact CB-CZ 3.74Å; K112-F136 HydrophobicContact CD-CD1 3.39Å; K112-F136 HydrophobicContact CD-CE1 3.63Å; K112-F136 HydrophobicContact CD-CG 4.08Å; K112-F136 HydrophobicContact CD-CZ 4.47Å; K112-F136 HydrophobicContact CG-CD1 3.72Å; K112-F136 HydrophobicContact CG-CE1 3.38Å; K112-F136 HydrophobicContact CG-CZ 4.15Å; K112-F136 PolarHBondContact NZ-O 3.32Å; K112-F136 WeakPolarHBondContact O-CZ 3.29Å
113E83.6Confident75.7Confident80 Ų8072.7 Ų72.737%0.37438%0.38SS..EExtended strand (participates in β ladder)trans-90.7138.6172.5-27.3-148.2135.900108.1R121E113-R121 HydrophobicContact CB-CG 4.27Å; E113-R121 HydrophobicContact CG-CG 3.67Å; E113-R121 VanDerWaalsContact OE1-CD 3.26Å; E113-R121 WeakPolarHBondContact OE1-CD 3.41Å; E113-R121 WeakPolarHBondContact OE1-CG 3.18Å; E113-R121 IonicContact OE1-CZ 2.75Å; E113-R121 IonicContact OE1-NE 3.28Å; E113-R121 IonicContact OE1-NH1 2.92Å; E113-R121 PolarHBondContact OE1-NH1 3.38Å
114V74.5Confident76.8Confident12 Ų1272 Ų727%0.07337%0.374CS..PPolyproline II helixtrans-74.9134.9174.5169.90000108.6G116 N117 Y122 L135 F136V114-G116 PolarHBondContact O-N 2.8Å; V114-N117 HydrophobicContact CB-CB 4.49Å; V114-N117 PolarHBondContact O-N 3.33Å; V114-Y122 HydrophobicContact CG2-CD2 3.95Å; V114-Y122 HydrophobicContact CG2-CE2 3.65Å; V114-L135 HydrophobicContact CB-CB 4.47Å; V114-L135 HydrophobicContact CG1-CB 3.75Å; V114-L135 HydrophobicContact CG1-CD1 4.19Å; V114-L135 HydrophobicContact CG1-CD2 4.38Å; V114-L135 HydrophobicContact CG1-CG 4.33Å; V114-L135 HydrophobicContact CG2-CB 3.82Å; V114-L135 HydrophobicContact CG2-CD1 4.15Å; V114-F136 HydrophobicContact CB-CE1 4.47Å; V114-F136 HydrophobicContact CG2-CD1 4.24Å; V114-F136 HydrophobicContact CG2-CE1 3.66Å; V114-F136 HydrophobicContact CG2-CE2 4.08Å; V114-F136 HydrophobicContact CG2-CZ 3.59Å
115P68.5Low78Confident88 Ų8868.3 Ų68.357%0.57135%0.351SS*.THydrogen-bonded Turntrans-50.5125.3172.1-25.634.2000111.1
116G71.1Confident79.1Confident81 Ų8162.1 Ų62.184%0.83533%0.325SS*.THydrogen-bonded Turntrans95.7-26.5-177.800000115.7V114 R118V114-G116 PolarHBondContact O-N 2.8Å; G116-R118 PolarHBondContact O-N 3.33Å
117N69.2Low80.6Confident98 Ų9860.1 Ų60.152%0.52431%0.311SS..  trans-102.284.4179.3-79.54.3000111.7V114 G119V114-N117 HydrophobicContact CB-CB 4.49Å; V114-N117 PolarHBondContact O-N 3.33Å; N117-G119 PolarHBondContact O-N 2.91Å
118R71Confident81.8Confident244 Ų24463.6 Ų63.692%0.92133%0.33SS*.THydrogen-bonded Turntrans-70.3118.2-178.1-165.4172.6-178.2164.20.4111.5G116G116-R118 PolarHBondContact O-N 3.33Å
119G80.4Confident82.8Confident36 Ų3661.4 Ų61.437%0.37132%0.32SS..THydrogen-bonded Turntrans94.55.7170.800000116.5N117N117-G119 PolarHBondContact O-N 2.91Å
120Y90.2Very high83.5Confident50 Ų5057.2 Ų57.220%0.19631%0.308CS..  trans-110.9129.6164.7-169.3-80.3000109.2N74 D75 N78 Y122N74-Y120 WeakPolarHBondContact ND2-CE1 3.46Å; N74-Y120 PolarHBondContact ND2-OH 2.92Å; D75-Y120 WeakPolarHBondContact OD1-CE2 3.42Å; D75-Y120 PolarHBondContact OD1-OH 3.35Å; N78-Y120 HydrophobicContact CB-CD2 4.37Å; N78-Y120 HydrophobicContact CB-CE2 4.23Å; N78-Y120 WeakPolarHBondContact ND2-CE1 3.36Å; N78-Y120 WeakPolarHBondContact ND2-CE2 3.49Å; Y120-Y122 HydrophobicContact CD1-CD2 4.16Å; Y120-Y122 HydrophobicContact CD1-CE1 4.4Å; Y120-Y122 AromaticContact CD1-CE2 3.73Å; Y120-Y122 HydrophobicContact CD1-CE2 3.73Å; Y120-Y122 AromaticContact CD1-CZ 3.88Å; Y120-Y122 HydrophobicContact CE1-CD1 4.05Å; Y120-Y122 HydrophobicContact CE1-CD2 4.17Å; Y120-Y122 AromaticContact CE1-CE1 3.6Å; Y120-Y122 HydrophobicContact CE1-CE1 3.6Å; Y120-Y122 AromaticContact CE1-CE2 3.76Å; Y120-Y122 HydrophobicContact CE1-CE2 3.76Å; Y120-Y122 HydrophobicContact CE1-CG 4.35Å; Y120-Y122 AromaticContact CE1-CZ 3.47Å; Y120-Y122 VanDerWaalsContact CE1-CZ 3.47Å
121R90.3Very high84Confident28 Ų2855 Ų5511%0.10631%0.307CS..EExtended strand (participates in β ladder)trans-122.6150.3-175.2-76.3-175.9-69.3-106.46.7111.7N74 N78 I81 K112 E113 Y123N74-R121 PolarHBondContact ND2-O 3.32Å; N74-R121 PolarHBondContact OD1-O 3.02Å; N78-R121 PolarHBondContact ND2-O 3.48Å; N78-R121 PolarHBondContact OD1-N 2.92Å; N78-R121 PolarHBondContact OD1-O 3.11Å; I81-R121 VanDerWaalsContact CG2-NH2 3.33Å; K112-R121 WeakPolarHBondContact O-CA 3.19Å; E113-R121 HydrophobicContact CB-CG 4.27Å; E113-R121 HydrophobicContact CG-CG 3.67Å; E113-R121 VanDerWaalsContact OE1-CD 3.26Å; E113-R121 WeakPolarHBondContact OE1-CD 3.41Å; E113-R121 WeakPolarHBondContact OE1-CG 3.18Å; E113-R121 IonicContact OE1-CZ 2.75Å; E113-R121 IonicContact OE1-NE 3.28Å; E113-R121 IonicContact OE1-NH1 2.92Å; E113-R121 PolarHBondContact OE1-NH1 3.38Å; R121-Y123 HydrophobicContact CB-CE2 3.76Å; R121-Y123 WeakPolarHBondContact CB-OH 3.42Å; R121-Y123 PolarHBondContact NE-OH 2.95Å
122Y92.4Very high84.3Confident35 Ų3554.7 Ų54.714%0.13730%0.303CS..EExtended strand (participates in β ladder)trans-111.1130.2173.1-64.1-90.2000110.2N74 G111 K112 V114 Y120 R127 V132 F136N74-Y122 VanDerWaalsContact ND2-CD1 3.34Å; N74-Y122 WeakPolarHBondContact ND2-CD1 3.37Å; N74-Y122 WeakPolarHBondContact OD1-CA 3.47Å; G111-Y122 WeakPolarHBondContact CA-O 3.41Å; K112-Y122 PolarHBondContact N-O 3.14Å; K112-Y122 PolarHBondContact O-N 3.08Å; V114-Y122 HydrophobicContact CG2-CD2 3.95Å; V114-Y122 HydrophobicContact CG2-CE2 3.65Å; Y120-Y122 HydrophobicContact CD1-CD2 4.16Å; Y120-Y122 HydrophobicContact CD1-CE1 4.4Å; Y120-Y122 AromaticContact CD1-CE2 3.73Å; Y120-Y122 HydrophobicContact CD1-CE2 3.73Å; Y120-Y122 AromaticContact CD1-CZ 3.88Å; Y120-Y122 HydrophobicContact CE1-CD1 4.05Å; Y120-Y122 HydrophobicContact CE1-CD2 4.17Å; Y120-Y122 AromaticContact CE1-CE1 3.6Å; Y120-Y122 HydrophobicContact CE1-CE1 3.6Å; Y120-Y122 AromaticContact CE1-CE2 3.76Å; Y120-Y122 HydrophobicContact CE1-CE2 3.76Å; Y120-Y122 HydrophobicContact CE1-CG 4.35Å; Y120-Y122 AromaticContact CE1-CZ 3.47Å; Y120-Y122 VanDerWaalsContact CE1-CZ 3.47Å; Y122-R127 PolarHBondContact O-NE 3.04Å; Y122-V132 HydrophobicContact CD1-CB 4.43Å; Y122-V132 HydrophobicContact CD1-CG1 3.48Å; Y122-V132 VanDerWaalsContact CD1-CG1 3.48Å; Y122-V132 HydrophobicContact CD1-CG2 4.11Å; Y122-V132 HydrophobicContact CD2-CG1 3.9Å; Y122-V132 HydrophobicContact CE1-CB 4.18Å; Y122-V132 HydrophobicContact CE1-CG1 3.56Å; Y122-V132 HydrophobicContact CE1-CG2 3.46Å; Y122-V132 VanDerWaalsContact CE1-CG2 3.46Å; Y122-V132 HydrophobicContact CE2-CG1 3.95Å; Y122-V132 HydrophobicContact CG-CG1 3.63Å; Y122-F136 AromaticContact CD2-CE2 3.69Å; Y122-F136 HydrophobicContact CD2-CE2 3.69Å; Y122-F136 AromaticContact CD2-CZ 3.56Å; Y122-F136 HydrophobicContact CD2-CZ 3.56Å; Y122-F136 HydrophobicContact CE2-CZ 4.47Å; Y122-F136 AromaticContact CG-CE2 3.87Å; Y122-F136 HydrophobicContact CG-CE2 3.87Å; Y122-F136 HydrophobicContact CG-CZ 4.06Å
123Y91.6Very high84.6Confident0 Ų055.3 Ų55.30%030%0.303CS..  trans-111.1147.7-175.5-60.6-83.9000111I60 N74 I77 I81 E110 G111 R121 A125 A126I60-Y123 WeakPolarHBondContact CG2-O 3.49Å; N74-Y123 WeakPolarHBondContact OD1-CD2 3.5Å; N74-Y123 PolarHBondContact OD1-N 2.65Å; N74-Y123 VanDerWaalsContact OD1-N 3.14Å; I77-Y123 HydrophobicContact CB-CD2 4.23Å; I77-Y123 HydrophobicContact CB-CE2 4.33Å; I77-Y123 HydrophobicContact CD1-CD2 4.4Å; I77-Y123 HydrophobicContact CG2-CD2 3.6Å; I77-Y123 HydrophobicContact CG2-CE1 4.48Å; I77-Y123 HydrophobicContact CG2-CE2 3.41Å; I77-Y123 VanDerWaalsContact CG2-CE2 3.41Å; I77-Y123 HydrophobicContact CG2-CG 4.26Å; I81-Y123 HydrophobicContact CD1-CE1 4.36Å; I81-Y123 HydrophobicContact CD1-CE2 4.09Å; I81-Y123 WeakPolarHBondContact CD1-OH 3.38Å; E110-Y123 HydrophobicContact CB-CD1 4.34Å; G111-Y123 VanDerWaalsContact CA-CE1 3.42Å; R121-Y123 HydrophobicContact CB-CE2 3.76Å; R121-Y123 WeakPolarHBondContact CB-OH 3.42Å; R121-Y123 PolarHBondContact NE-OH 2.95Å; Y123-A125 PolarHBondContact O-N 3.35Å; Y123-A126 WeakPolarHBondContact O-CB 3.48Å; Y123-A126 PolarHBondContact O-N 2.92Å
124G91.3Very high84.7Confident9 Ų957.4 Ų57.49%0.09331%0.313CS..G310 helixtrans41.6-130.6173.500000114.7A126 R127G124-A126 PolarHBondContact O-N 3.48Å; G124-A126 VanDerWaalsContact O-N 3.14Å; G124-R127 WeakPolarHBondContact O-CB 3.36Å; G124-R127 WeakPolarHBondContact O-CD 3.41Å; G124-R127 WeakPolarHBondContact O-CG 3.34Å; G124-R127 PolarHBondContact O-N 2.73Å
125A92.5Very high85.1Confident10 Ų1060.8 Ų60.88%0.08333%0.33CS..G310 helixtrans-64.5-14-179.200000114.4I60 P63 L70 Y123 R127 D128I60-A125 VanDerWaalsContact O-CB 3.25Å; I60-A125 WeakPolarHBondContact O-CB 3.36Å; I60-A125 PolarHBondContact O-N 3.29Å; P63-A125 HydrophobicContact CB-CB 4.25Å; L70-A125 HydrophobicContact CD1-CB 3.98Å; L70-A125 HydrophobicContact CD2-CB 4.1Å; Y123-A125 PolarHBondContact O-N 3.35Å; A125-R127 PolarHBondContact O-N 2.76Å; A125-D128 PolarHBondContact O-N 3.35Å
126A92.8Very high85.6Confident0 Ų057.6 Ų57.60%031%0.307CS..G310 helixtrans-68.6-16.9175.700000112.7I60 N74 Y123 G124 L129I60-A126 HydrophobicContact CG2-CB 4.31Å; N74-A126 HydrophobicContact CB-CB 3.94Å; Y123-A126 WeakPolarHBondContact O-CB 3.48Å; Y123-A126 PolarHBondContact O-N 2.92Å; G124-A126 PolarHBondContact O-N 3.48Å; G124-A126 VanDerWaalsContact O-N 3.14Å; A126-L129 HydrophobicContact CB-CD1 4Å; A126-L129 WeakPolarHBondContact O-CD1 3.34Å
127R89.9Confident85.8Confident68 Ų6858.4 Ų58.426%0.25729%0.289SS..G310 helixtrans-70.9-31.9173.8-67.3164.1154147.3147.8112.7E110 Y122 G124 A125 L129 R133 F136E110-R127 PolarHBondContact O-NH1 3.02Å; E110-R127 PolarHBondContact O-NH2 3.45Å; Y122-R127 PolarHBondContact O-NE 3.04Å; G124-R127 WeakPolarHBondContact O-CB 3.36Å; G124-R127 WeakPolarHBondContact O-CD 3.41Å; G124-R127 WeakPolarHBondContact O-CG 3.34Å; G124-R127 PolarHBondContact O-N 2.73Å; A125-R127 PolarHBondContact O-N 2.76Å; R127-L129 VanDerWaalsContact C-N 3.28Å; R127-R133 WeakPolarHBondContact O-CA 3.38Å; R127-R133 PolarHBondContact O-N 2.89Å; R127-F136 HydrophobicContact CB-CD2 4.45Å; R127-F136 HydrophobicContact CB-CE2 4.38Å; R127-F136 HydrophobicContact CG-CE2 4.21Å
128D89.9Confident85.5Confident115 Ų11559.7 Ų59.762%0.61529%0.292SS*.G310 helixtrans-90.33.7-175.7-53.8-39.9000112.2A125A125-D128 PolarHBondContact O-N 3.35Å
129L90.3Very high85Confident7 Ų753.3 Ų53.34%0.03728%0.276CS..SBendtrans-61.9143.1177.4-74170.9000111E67 L70 R71 A126 R127 G131 V132 R133E67-L129 HydrophobicContact CB-CD2 3.74Å; E67-L129 HydrophobicContact CG-CD2 3.88Å; L70-L129 HydrophobicContact CB-CD1 4.12Å; L70-L129 HydrophobicContact CB-CD2 4.14Å; L70-L129 HydrophobicContact CB-CG 4.49Å; L70-L129 HydrophobicContact CD1-CD2 4.04Å; R71-L129 HydrophobicContact CG-CD1 3.6Å; A126-L129 HydrophobicContact CB-CD1 4Å; A126-L129 WeakPolarHBondContact O-CD1 3.34Å; R127-L129 VanDerWaalsContact C-N 3.28Å; L129-G131 PolarHBondContact O-N 3.26Å; L129-V132 HydrophobicContact CB-CB 4.2Å; L129-V132 HydrophobicContact CB-CG2 4.15Å; L129-V132 PolarHBondContact O-N 3.43Å; L129-R133 PolarHBondContact O-N 3.41Å
130P87.6Confident84.1Confident62 Ų6256.2 Ų56.240%0.40329%0.289SS..THydrogen-bonded Turntrans-57.9134.1175.524-32.2000110.2E67 R71 V132E67-P130 WeakPolarHBondContact OE2-CG 3.43Å; R71-P130 PolarHBondContact NH2-O 3.1Å; P130-V132 VanDerWaalsContact C-N 3.27Å; P130-V132 PolarHBondContact O-N 2.91Å
131G86Confident82.9Confident36 Ų3656.9 Ų56.937%0.37130%0.295SS..THydrogen-bonded Turntrans80.4-24.4-172.300000115.9L129 L135L129-G131 PolarHBondContact O-N 3.26Å; G131-L135 WeakPolarHBondContact O-CG 2.98Å
132V86.9Confident81.8Confident4 Ų457.9 Ų57.92%0.02431%0.309CS..THydrogen-bonded Turntrans-87.4-40.6174.1177.40000110.5Y122 L129 P130 E134 L135 F136Y122-V132 HydrophobicContact CD1-CB 4.43Å; Y122-V132 HydrophobicContact CD1-CG1 3.48Å; Y122-V132 VanDerWaalsContact CD1-CG1 3.48Å; Y122-V132 HydrophobicContact CD1-CG2 4.11Å; Y122-V132 HydrophobicContact CD2-CG1 3.9Å; Y122-V132 HydrophobicContact CE1-CB 4.18Å; Y122-V132 HydrophobicContact CE1-CG1 3.56Å; Y122-V132 HydrophobicContact CE1-CG2 3.46Å; Y122-V132 VanDerWaalsContact CE1-CG2 3.46Å; Y122-V132 HydrophobicContact CE2-CG1 3.95Å; Y122-V132 HydrophobicContact CG-CG1 3.63Å; L129-V132 HydrophobicContact CB-CB 4.2Å; L129-V132 HydrophobicContact CB-CG2 4.15Å; L129-V132 PolarHBondContact O-N 3.43Å; P130-V132 VanDerWaalsContact C-N 3.27Å; P130-V132 PolarHBondContact O-N 2.91Å; V132-E134 VanDerWaalsContact C-N 3.25Å; V132-E134 PolarHBondContact O-N 3.19Å; V132-L135 WeakPolarHBondContact O-CB 3.43Å; V132-L135 PolarHBondContact O-N 3.41Å; V132-F136 HydrophobicContact CG1-CD2 3.88Å; V132-F136 HydrophobicContact CG1-CE2 3.55Å; V132-F136 WeakPolarHBondContact O-CD2 3.4Å; V132-F136 PolarHBondContact O-N 3.3Å
133R86.7Confident80.6Confident99 Ų9963.7 Ų63.737%0.37433%0.332SS..Hα-helixtrans-54.6-44.3176.2-176.9-177.161.582.811.9111.5R127 L129 L135 F136 E137R127-R133 WeakPolarHBondContact O-CA 3.38Å; R127-R133 PolarHBondContact O-N 2.89Å; L129-R133 PolarHBondContact O-N 3.41Å; R133-L135 PolarHBondContact O-N 2.99Å; R133-F136 PolarHBondContact O-N 3.33Å; R133-E137 WeakPolarHBondContact CD-OE1 3.36Å; R133-E137 HydrophobicContact CG-CG 4.36Å; R133-E137 WeakPolarHBondContact CG-OE1 3.31Å; R133-E137 IonicContact CZ-OE1 3.53Å; R133-E137 IonicContact CZ-OE2 3.65Å; R133-E137 IonicContact NE-OE1 3.66Å; R133-E137 IonicContact NH1-OE1 3.99Å; R133-E137 PolarHBondContact NH1-OE1 3.45Å; R133-E137 IonicContact NH1-OE2 2.61Å; R133-E137 PolarHBondContact NH1-OE2 2.84Å; R133-E137 WeakPolarHBondContact O-CG 3.16Å; R133-E137 PolarHBondContact O-N 3.43Å
134E85.9Confident79.3Confident124 Ų12469.4 Ų69.458%0.57936%0.357SS*.Hα-helixtrans-60.8-27.9177.2-68.9161.7-150.900112.9V132 F136V132-E134 VanDerWaalsContact C-N 3.25Å; V132-E134 PolarHBondContact O-N 3.19Å; E134-F136 VanDerWaalsContact C-N 3.32Å
135L82.1Confident78.3Confident83 Ų8370 Ų7044%0.43536%0.358SS..Hα-helixtrans-78.8-16.6176.3-62.3171.7000113.2V114 G131 V132 R133V114-L135 HydrophobicContact CB-CB 4.47Å; V114-L135 HydrophobicContact CG1-CB 3.75Å; V114-L135 HydrophobicContact CG1-CD1 4.19Å; V114-L135 HydrophobicContact CG1-CD2 4.38Å; V114-L135 HydrophobicContact CG1-CG 4.33Å; V114-L135 HydrophobicContact CG2-CB 3.82Å; V114-L135 HydrophobicContact CG2-CD1 4.15Å; G131-L135 WeakPolarHBondContact O-CG 2.98Å; V132-L135 WeakPolarHBondContact O-CB 3.43Å; V132-L135 PolarHBondContact O-N 3.41Å; R133-L135 PolarHBondContact O-N 2.99Å
136F79.6Confident77.4Confident20 Ų2072.4 Ų72.49%0.08838%0.377CS..Hα-helixtrans-105.8-23.3-179.4-74.3-55.5000114.2K112 V114 Y122 R127 V132 R133 E134 E138K112-F136 HydrophobicContact CB-CD1 4.19Å; K112-F136 HydrophobicContact CB-CE1 3.5Å; K112-F136 HydrophobicContact CB-CZ 3.74Å; K112-F136 HydrophobicContact CD-CD1 3.39Å; K112-F136 HydrophobicContact CD-CE1 3.63Å; K112-F136 HydrophobicContact CD-CG 4.08Å; K112-F136 HydrophobicContact CD-CZ 4.47Å; K112-F136 HydrophobicContact CG-CD1 3.72Å; K112-F136 HydrophobicContact CG-CE1 3.38Å; K112-F136 HydrophobicContact CG-CZ 4.15Å; K112-F136 PolarHBondContact NZ-O 3.32Å; K112-F136 WeakPolarHBondContact O-CZ 3.29Å; V114-F136 HydrophobicContact CB-CE1 4.47Å; V114-F136 HydrophobicContact CG2-CD1 4.24Å; V114-F136 HydrophobicContact CG2-CE1 3.66Å; V114-F136 HydrophobicContact CG2-CE2 4.08Å; V114-F136 HydrophobicContact CG2-CZ 3.59Å; Y122-F136 AromaticContact CD2-CE2 3.69Å; Y122-F136 HydrophobicContact CD2-CE2 3.69Å; Y122-F136 AromaticContact CD2-CZ 3.56Å; Y122-F136 HydrophobicContact CD2-CZ 3.56Å; Y122-F136 HydrophobicContact CE2-CZ 4.47Å; Y122-F136 AromaticContact CG-CE2 3.87Å; Y122-F136 HydrophobicContact CG-CE2 3.87Å; Y122-F136 HydrophobicContact CG-CZ 4.06Å; R127-F136 HydrophobicContact CB-CD2 4.45Å; R127-F136 HydrophobicContact CB-CE2 4.38Å; R127-F136 HydrophobicContact CG-CE2 4.21Å; V132-F136 HydrophobicContact CG1-CD2 3.88Å; V132-F136 HydrophobicContact CG1-CE2 3.55Å; V132-F136 WeakPolarHBondContact O-CD2 3.4Å; V132-F136 PolarHBondContact O-N 3.3Å; R133-F136 PolarHBondContact O-N 3.33Å; E134-F136 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 3.18Å
137E75.4Confident76.4Confident99 Ų9976.3 Ų76.346%0.46340%0.395SS..SBendtrans-68.479.7162.5-71.7173-176.300106.6R133 D139R133-E137 WeakPolarHBondContact CD-OE1 3.36Å; R133-E137 HydrophobicContact CG-CG 4.36Å; R133-E137 WeakPolarHBondContact CG-OE1 3.31Å; R133-E137 IonicContact CZ-OE1 3.53Å; R133-E137 IonicContact CZ-OE2 3.65Å; R133-E137 IonicContact NE-OE1 3.66Å; R133-E137 IonicContact NH1-OE1 3.99Å; R133-E137 PolarHBondContact NH1-OE1 3.45Å; R133-E137 IonicContact NH1-OE2 2.61Å; R133-E137 PolarHBondContact NH1-OE2 2.84Å; R133-E137 WeakPolarHBondContact O-CG 3.16Å; R133-E137 PolarHBondContact O-N 3.43Å; E137-D139 PolarHBondContact O-N 3.28Å; E137-D139 VanDerWaalsContact O-N 3.16Å
138E63.1Low75.3Confident125 Ų12574.9 Ų74.958%0.58439%0.39SS*.  trans-52.2123.8161.1-72.4169.4-164.200106.3F136 P140F136-E138 PolarHBondContact O-N 3.18Å; E138-P140 VanDerWaalsContact O-N 3.11Å
139D59.3Low74.5Confident109 Ų10973.4 Ų73.458%0.58338%0.378SS*.  trans-46126.3179.6-70.6-48.5000107.5E137 I141 A142E137-D139 PolarHBondContact O-N 3.28Å; E137-D139 VanDerWaalsContact O-N 3.16Å; D139-I141 HydrophobicContact CB-CB 4.15Å; D139-I141 CarbonylContact O-C 3.55Å; D139-I141 PolarHBondContact O-N 3.48Å; D139-A142 HydrophobicContact CB-CB 4.33Å; D139-A142 WeakPolarHBondContact O-CA 3.11Å; D139-A142 WeakPolarHBondContact O-CB 3.44Å; D139-A142 PolarHBondContact O-N 3.04Å
140P62.2Low73.7Confident98 Ų9881.9 Ų81.964%0.63641%0.411SS*.Hα-helixtrans-55-21.6176.422.8-33.4000111.2E138 K144E138-P140 VanDerWaalsContact O-N 3.11Å; P140-K144 WeakPolarHBondContact O-CG 3.36Å; P140-K144 PolarHBondContact O-N 3.08Å
141I65.2Low72.8Confident64 Ų6483.6 Ų83.633%0.32841%0.409SS..Hα-helixtrans-64.7-42.3171.8-51.9172000111.5D139 Y143 K144 I145 Y198D139-I141 HydrophobicContact CB-CB 4.15Å; D139-I141 CarbonylContact O-C 3.55Å; D139-I141 PolarHBondContact O-N 3.48Å; I141-Y143 PolarHBondContact O-N 2.85Å; I141-K144 CarbonylContact O-C 3.06Å; I141-K144 PolarHBondContact O-N 2.67Å; I141-I145 HydrophobicContact CG2-CD1 3.64Å; I141-I145 HydrophobicContact CG2-CG1 4.13Å; I141-I145 WeakPolarHBondContact O-CB 3.42Å; I141-I145 WeakPolarHBondContact O-CG1 3.29Å; I141-I145 PolarHBondContact O-N 3.43Å; I141-Y198 HydrophobicContact CG2-CD2 4.07Å; I141-Y198 HydrophobicContact CG2-CE1 4.27Å; I141-Y198 HydrophobicContact CG2-CE2 3.58Å
142A67.4Low72Confident48 Ų4886.4 Ų86.440%0.39741%0.411SS..Hα-helixtrans-63.5-41.8179.200000112.4D139 I145 A146D139-A142 HydrophobicContact CB-CB 4.33Å; D139-A142 WeakPolarHBondContact O-CA 3.11Å; D139-A142 WeakPolarHBondContact O-CB 3.44Å; D139-A142 PolarHBondContact O-N 3.04Å; A142-I145 PolarHBondContact O-N 3.05Å; A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 2.95Å
143Y66.3Low71.3Confident158 Ų15889.1 Ų89.162%0.6243%0.434SS*.Hα-helixtrans-62.5-47173.1179.1-92000111.2I141 I145 A146 E147I141-Y143 PolarHBondContact O-N 2.85Å; Y143-I145 PolarHBondContact O-N 3.12Å; Y143-A146 PolarHBondContact O-N 3.32Å; Y143-E147 VanDerWaalsContact CE1-OE2 3.29Å; Y143-E147 WeakPolarHBondContact CE1-OE2 3.46Å; Y143-E147 WeakPolarHBondContact O-CB 3.43Å; Y143-E147 PolarHBondContact O-N 2.88Å
144K65.6Low70.2Confident120 Ų12087.3 Ų87.352%0.52244%0.437SS..Hα-helixtrans-59.1-44.3175.9-78.3-174.4177.8-166.80112.1P140 I141 E147 W148 M195P140-K144 WeakPolarHBondContact O-CG 3.36Å; P140-K144 PolarHBondContact O-N 3.08Å; I141-K144 CarbonylContact O-C 3.06Å; I141-K144 PolarHBondContact O-N 2.67Å; K144-E147 PolarHBondContact O-N 2.95Å; K144-W148 WeakPolarHBondContact O-CB 3.48Å; K144-W148 PolarHBondContact O-N 2.67Å; K144-M195 HydrophobicContact CB-CE 3.72Å; K144-M195 WeakPolarHBondContact O-CE 3.42Å
145I70.3Confident69.1Low22 Ų2287.4 Ų87.411%0.11344%0.441CS..Hα-helixtrans-62.3-45.1176.7-71.1167.9000110.6I141 A142 Y143 W148 K149 M195 Y198I141-I145 HydrophobicContact CG2-CD1 3.64Å; I141-I145 HydrophobicContact CG2-CG1 4.13Å; I141-I145 WeakPolarHBondContact O-CB 3.42Å; I141-I145 WeakPolarHBondContact O-CG1 3.29Å; I141-I145 PolarHBondContact O-N 3.43Å; A142-I145 PolarHBondContact O-N 3.05Å; Y143-I145 PolarHBondContact O-N 3.12Å; I145-W148 PolarHBondContact O-N 3.02Å; I145-K149 HydrophobicContact CG2-CD 3.95Å; I145-K149 HydrophobicContact CG2-CG 4.31Å; I145-K149 WeakPolarHBondContact O-CB 3.38Å; I145-K149 VanDerWaalsContact O-CG 3.31Å; I145-K149 WeakPolarHBondContact O-CG 3.5Å; I145-K149 PolarHBondContact O-N 3.22Å; I145-M195 HydrophobicContact CB-SD 4.42Å; I145-M195 HydrophobicContact CG1-SD 3.95Å; I145-Y198 HydrophobicContact CD1-CD1 4.26Å; I145-Y198 HydrophobicContact CD1-CD2 4.14Å; I145-Y198 HydrophobicContact CD1-CG 3.83Å
146A73.7Confident67.9Low59 Ų5988 Ų8849%0.48845%0.452SS..Hα-helixtrans-63.7-42.817900000111.9A142 Y143 K149 Y150A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 2.95Å; Y143-A146 PolarHBondContact O-N 3.32Å; A146-K149 PolarHBondContact O-N 3.19Å; A146-Y150 PolarHBondContact O-N 2.93Å
147E70.3Confident66.3Low83 Ų8393.8 Ų93.839%0.38848%0.479SS..Hα-helixtrans-64-42.6176.2-167.9-177155.300111.7Y143 K144 Y150 R151Y143-E147 VanDerWaalsContact CE1-OE2 3.29Å; Y143-E147 WeakPolarHBondContact CE1-OE2 3.46Å; Y143-E147 WeakPolarHBondContact O-CB 3.43Å; Y143-E147 PolarHBondContact O-N 2.88Å; K144-E147 PolarHBondContact O-N 2.95Å; E147-Y150 PolarHBondContact O-N 3.4Å; E147-R151 WeakPolarHBondContact O-CB 3.49Å; E147-R151 PolarHBondContact O-N 3.4Å; E147-R151 IonicContact OE1-NH2 3.68Å; E147-R151 PolarHBondContact OE1-NH2 3.38Å
148W68.4Low64.3Low37 Ų3795.2 Ų95.214%0.1450%0.498CS..Hα-helixtrans-63.9-44174.9178.787000112.4K144 I145 Y150 R151 K152 M195 E199K144-W148 WeakPolarHBondContact O-CB 3.48Å; K144-W148 PolarHBondContact O-N 2.67Å; I145-W148 PolarHBondContact O-N 3.02Å; W148-Y150 VanDerWaalsContact C-N 3.3Å; W148-Y150 PolarHBondContact O-N 3.26Å; W148-R151 PolarHBondContact O-N 2.73Å; W148-K152 HydrophobicContact CE3-CD 4.46Å; W148-K152 HydrophobicContact CH2-CD 3.53Å; W148-K152 HydrophobicContact CZ2-CD 3.79Å; W148-K152 HydrophobicContact CZ3-CD 3.87Å; W148-K152 WeakPolarHBondContact O-CB 3.38Å; W148-K152 PolarHBondContact O-N 3.13Å; W148-M195 HydrophobicContact CB-CE 3.74Å; W148-M195 HydrophobicContact CB-CG 4.4Å; W148-M195 HydrophobicContact CB-SD 3.5Å; W148-M195 VanDerWaalsContact CB-SD 3.5Å; W148-M195 HydrophobicContact CD2-CB 3.89Å; W148-M195 HydrophobicContact CD2-CG 4.36Å; W148-M195 HydrophobicContact CD2-SD 4.33Å; W148-M195 HydrophobicContact CE3-CB 4.28Å; W148-M195 HydrophobicContact CG-CB 4.13Å; W148-M195 HydrophobicContact CG-CE 4.25Å; W148-M195 HydrophobicContact CG-CG 4.07Å; W148-M195 HydrophobicContact CG-SD 3.79Å; W148-M195 HydrophobicContact CZ2-CB 4.34Å; W148-E199 VanDerWaalsContact CH2-OE2 3.24Å; W148-E199 WeakPolarHBondContact CH2-OE2 3.35Å
149K73.4Confident63Low85 Ų8591.7 Ų91.737%0.3750%0.495SS..Hα-helixtrans-59-41.9175.3-77178.7-179.6176.10110.9I145 A146 A153 D202I145-K149 HydrophobicContact CG2-CD 3.95Å; I145-K149 HydrophobicContact CG2-CG 4.31Å; I145-K149 WeakPolarHBondContact O-CB 3.38Å; I145-K149 VanDerWaalsContact O-CG 3.31Å; I145-K149 WeakPolarHBondContact O-CG 3.5Å; I145-K149 PolarHBondContact O-N 3.22Å; A146-K149 PolarHBondContact O-N 3.19Å; K149-A153 VanDerWaalsContact O-CB 3.3Å; K149-A153 WeakPolarHBondContact O-CB 3.24Å; K149-A153 PolarHBondContact O-N 2.98Å; K149-D202 IonicContact NZ-OD2 2.85Å; K149-D202 PolarHBondContact NZ-OD2 3.21Å
150Y72.9Confident61.9Low185 Ų18597 Ų9773%0.72551%0.508SS*.Hα-helixtrans-65.2-44.4176.5-171.6-91.7000112.3A146 E147 W148 A153 S154A146-Y150 PolarHBondContact O-N 2.93Å; E147-Y150 PolarHBondContact O-N 3.4Å; W148-Y150 VanDerWaalsContact C-N 3.3Å; W148-Y150 PolarHBondContact O-N 3.26Å; Y150-A153 PolarHBondContact O-N 2.97Å; Y150-S154 PolarHBondContact O-N 2.93Å; Y150-S154 PolarHBondContact O-OG 3.06Å
151R68.6Low60.8Low98 Ų9896.1 Ų96.137%0.3750%0.504SS..Hα-helixtrans-62.9-47.2177.8-167.7-175.7-53.3-131.2-1.6112.4E147 W148 A153 S154 D155E147-R151 WeakPolarHBondContact O-CB 3.49Å; E147-R151 PolarHBondContact O-N 3.4Å; E147-R151 IonicContact OE1-NH2 3.68Å; E147-R151 PolarHBondContact OE1-NH2 3.38Å; W148-R151 PolarHBondContact O-N 2.73Å; R151-A153 VanDerWaalsContact C-N 3.3Å; R151-A153 PolarHBondContact O-N 3.38Å; R151-S154 WeakPolarHBondContact CA-OG 3.44Å; R151-S154 PolarHBondContact O-N 3.23Å; R151-S154 VanDerWaalsContact O-N 3.16Å; R151-S154 PolarHBondContact O-OG 2.81Å; R151-D155 PolarHBondContact O-N 2.98Å
152K69.3Low59.5Low94 Ų9499.1 Ų99.141%0.40953%0.529SS..Hα-helixtrans-60.2-39.4175.7-173.4-177.2177.3-168.20111.7W148 S156 E199W148-K152 HydrophobicContact CE3-CD 4.46Å; W148-K152 HydrophobicContact CH2-CD 3.53Å; W148-K152 HydrophobicContact CZ2-CD 3.79Å; W148-K152 HydrophobicContact CZ3-CD 3.87Å; W148-K152 WeakPolarHBondContact O-CB 3.38Å; W148-K152 PolarHBondContact O-N 3.13Å; K152-S156 WeakPolarHBondContact O-CB 3.46Å; K152-S156 PolarHBondContact O-N 3.41Å; K152-S156 VanDerWaalsContact O-N 3.15Å; K152-E199 IonicContact NZ-OE1 3.04Å; K152-E199 PolarHBondContact NZ-OE1 2.77Å; K152-E199 IonicContact NZ-OE2 2.85Å; K152-E199 PolarHBondContact NZ-OE2 2.84Å
153A71.7Confident58.5Low61 Ų61104.4 Ų104.450%0.50454%0.543SS..Hα-helixtrans-69.6-35176.200000112.9K149 Y150 R151K149-A153 VanDerWaalsContact O-CB 3.3Å; K149-A153 WeakPolarHBondContact O-CB 3.24Å; K149-A153 PolarHBondContact O-N 2.98Å; Y150-A153 PolarHBondContact O-N 2.97Å; R151-A153 VanDerWaalsContact C-N 3.3Å; R151-A153 PolarHBondContact O-N 3.38Å
154S64.6Low57.2Low62 Ų62102.8 Ų102.843%0.43455%0.552SS.*Hα-helixtrans-72-36.4174.461.10000112.9Y150 R151 S156 Q157Y150-S154 PolarHBondContact O-N 2.93Å; Y150-S154 PolarHBondContact O-OG 3.06Å; R151-S154 WeakPolarHBondContact CA-OG 3.44Å; R151-S154 PolarHBondContact O-N 3.23Å; R151-S154 VanDerWaalsContact O-N 3.16Å; R151-S154 PolarHBondContact O-OG 2.81Å; S154-S156 VanDerWaalsContact C-N 3.27Å; S154-S156 PolarHBondContact O-N 3.16Å; S154-Q157 PolarHBondContact O-N 3.49Å
155D62.2Low56Low126 Ų126105.1 Ų105.167%0.67457%0.57SS**Hα-helixtrans-69.8-27.3176.5-69.2-18.1000112.1R151 Q157R151-D155 PolarHBondContact O-N 2.98Å; D155-Q157 VanDerWaalsContact C-N 3.28Å; D155-Q157 PolarHBondContact O-N 2.83Å
156S55.9Low54.4Low95 Ų95107.4 Ų107.466%0.66460%0.598SS**THydrogen-bonded Turntrans-79.5-2.4175.4-169.10000114.1K152 S154 P158K152-S156 WeakPolarHBondContact O-CB 3.46Å; K152-S156 PolarHBondContact O-N 3.41Å; K152-S156 VanDerWaalsContact O-N 3.15Å; S154-S156 VanDerWaalsContact C-N 3.27Å; S154-S156 PolarHBondContact O-N 3.16Å; S156-P158 WeakPolarHBondContact O-CD 3.33Å
157Q45.5Very low52.6Low141 Ų141112.9 Ų112.966%0.65962%0.62SS**SBendtrans-86.6107169.3-85-93.1-56.400109.5S154 D155 G159S154-Q157 PolarHBondContact O-N 3.49Å; D155-Q157 VanDerWaalsContact C-N 3.28Å; D155-Q157 PolarHBondContact O-N 2.83Å; Q157-G159 PolarHBondContact O-N 3.35Å
158P35.5Very low51.6Low130 Ų130116.5 Ų116.584%0.84464%0.637SS**  trans-71.197.7176.229.2-31.8000109.1S156S156-P158 WeakPolarHBondContact O-CD 3.33Å
159G34.5Very low50.4Low51 Ų51123.2 Ų123.253%0.52667%0.667SS.*  trans102.493.616600000114.3Q157Q157-G159 PolarHBondContact O-N 3.35Å
160Y37Very low49.4Very low221 Ų221124.2 Ų124.287%0.86768%0.676SS**  trans-160.298.3132.7-98.5-74.2000108.4
161S39Very low48.5Very low79 Ų79121.8 Ų121.855%0.55267%0.671SS**  trans30.7108.2152.563.50000117.9K163S161-K163 VanDerWaalsContact C-N 3.3Å; S161-K163 PolarHBondContact O-N 3.3Å
162C38.3Very low47.8Very low126 Ų126125 Ų12585%0.85170%0.695SS**  trans-48.1104.6135.8176.80000107
163K45.8Very low46.9Very low159 Ų159125.3 Ų125.369%0.69170%0.701SS**  trans-74.5121.8166.9-72.3-173.4178.9-178.90105.6S161 L165S161-K163 VanDerWaalsContact C-N 3.3Å; S161-K163 PolarHBondContact O-N 3.3Å; K163-L165 PolarHBondContact O-N 3.18Å
164P37.9Very low46.3Very low125 Ų125132.1 Ų132.181%0.81272%0.723SS**  trans-65.5107.3171.228.1-30000106.4G166P164-G166 PolarHBondContact O-N 3.12Å
165L41.4Very low46Very low169 Ų169137 Ų13789%0.88574%0.744SS**  trans-86.595.4176.3-140102000107.1K163K163-L165 PolarHBondContact O-N 3.18Å
166G37Very low45.6Very low69 Ų69135.6 Ų135.671%0.71174%0.737SS**SBendtrans81.7129.3158.500000116.3P164 E168P164-G166 PolarHBondContact O-N 3.12Å; G166-E168 PolarHBondContact O-N 3.39Å
167D36.3Very low45.6Very low175 Ų175135 Ų13594%0.93674%0.737SS**SBendtrans-43.296.6167.4-62.7-43.7000113.8
168E48.6Very low46.2Very low159 Ų159133.9 Ų133.974%0.74374%0.735SS**  trans-157.285.3149.4-156.6158.7-15400107.2G166 D170G166-E168 PolarHBondContact O-N 3.39Å; E168-D170 PolarHBondContact O-N 2.75Å
169F42.8Very low47.2Very low178 Ų178133.7 Ų133.778%0.78173%0.732SS**  trans-75.184.8164.5-176-99.7000105.6E171F169-E171 HydrophobicContact CD1-CG 3.9Å; F169-E171 HydrophobicContact CE1-CG 3.87Å; F169-E171 PolarHBondContact O-N 3.27Å
170D52.3Low48.4Very low105 Ų105139.7 Ų139.756%0.56174%0.739SS**  trans-61.1107.8162.7-77.3-31000106.2E168 L172E168-D170 PolarHBondContact O-N 2.75Å; D170-L172 PolarHBondContact O-N 2.94Å; D170-L172 VanDerWaalsContact O-N 3.12Å
171E53.3Low49.1Very low134 Ų134132.4 Ų132.463%0.62672%0.715SS**  trans-51.5119.9173.4-73.8-179.7158.300107.7F169 D173F169-E171 HydrophobicContact CD1-CG 3.9Å; F169-E171 HydrophobicContact CE1-CG 3.87Å; F169-E171 PolarHBondContact O-N 3.27Å; E171-D173 PolarHBondContact O-N 2.92Å
172L54.4Low49.9Very low167 Ų167134.8 Ų134.887%0.87472%0.72SS**  trans-69.775.6175.4-69.7168.4000108.2D170D170-L172 PolarHBondContact O-N 2.94Å; D170-L172 VanDerWaalsContact O-N 3.12Å
173D50.8Low50.5Low100 Ų100137.4 Ų137.454%0.53571%0.713SS.*  trans-75139.8171.3-71.9-15.8000109.1E171 D175 N176E171-D173 PolarHBondContact O-N 2.92Å; D173-D175 PolarHBondContact O-N 3.28Å; D173-N176 PolarHBondContact O-N 2.87Å
174E59.8Low51Low204 Ų204136.1 Ų136.195%0.95371%0.714SS**THydrogen-bonded Turntrans-58.1-11.9178.5-70.4-180163.100113.2
175D57.9Low51.7Low164 Ų164133.2 Ų133.288%0.87769%0.694SS**THydrogen-bonded Turntrans-96.3-11.9178.4-64.7-27.8000114D173 A177D173-D175 PolarHBondContact O-N 3.28Å; D175-A177 PolarHBondContact O-N 3.09Å
176N53.5Low52.4Low97 Ų97127 Ų12752%0.51967%0.671SS.*SBendtrans-96.379.8179.1-159.841.9000109.9D173 D178D173-N176 PolarHBondContact O-N 2.87Å; N176-D178 PolarHBondContact O-N 2.88Å
177A55.2Low53.5Low81 Ų81128.9 Ų128.967%0.66967%0.665SS**  trans-52.4126.8173.200000109.7D175 T179D175-A177 PolarHBondContact O-N 3.09Å; A177-T179 WeakPolarHBondContact O-CG2 3.31Å; A177-T179 PolarHBondContact O-N 3.31Å
178D58.4Low54.8Low118 Ų118122.8 Ų122.863%0.63163%0.632SS**  trans-44.899.6-179.1-152.9-2.8000109.9N176 R180N176-D178 PolarHBondContact O-N 2.88Å; D178-R180 PolarHBondContact O-N 2.92Å; D178-R180 WeakPolarHBondContact OD1-CG 2.9Å; D178-R180 IonicContact OD1-NE 2.74Å
179T57.8Low55.8Low127 Ų127119.9 Ų119.978%0.77963%0.627SS**  trans-76-0.5-178.455.30000111.7A177 N181A177-T179 WeakPolarHBondContact O-CG2 3.31Å; A177-T179 PolarHBondContact O-N 3.31Å; T179-N181 PolarHBondContact O-N 2.94Å
180R57.8Low56.9Low177 Ų177113.9 Ų113.967%0.66861%0.611SS**SBendtrans-63.4107.2170-65.9-178.5-168148.96.3108.1D178 I182D178-R180 PolarHBondContact O-N 2.92Å; D178-R180 WeakPolarHBondContact OD1-CG 2.9Å; D178-R180 IonicContact OD1-NE 2.74Å; R180-I182 PolarHBondContact O-N 3.26Å
181N52.2Low57.5Low67 Ų67112.3 Ų112.336%0.35860%0.602SS.*  trans-53110.6168.2-18012.3000108.6T179 Y183 D184 V185T179-N181 PolarHBondContact O-N 2.94Å; N181-Y183 PolarHBondContact O-N 2.92Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.26Å; N181-Y183 WeakPolarHBondContact OD1-CD2 3.41Å; N181-Y183 PolarHBondContact OD1-N 3.41Å; N181-Y183 VanDerWaalsContact OD1-N 3.1Å; N181-D184 HydrophobicContact CB-CB 4Å; N181-D184 WeakPolarHBondContact CB-OD2 3.48Å; N181-D184 VanDerWaalsContact ND2-CG 3.31Å; N181-D184 PolarHBondContact ND2-OD2 3Å; N181-D184 PolarHBondContact O-N 2.85Å; N181-V185 PolarHBondContact O-N 3.4Å
182I55.7Low58.2Low130 Ų130109.4 Ų109.467%0.66759%0.59SS**THydrogen-bonded Turntrans-54.8-15.817422.9168.3000112.7R180R180-I182 PolarHBondContact O-N 3.26Å
183Y51.6Low59Low180 Ų180105.4 Ų105.471%0.70657%0.567SS**THydrogen-bonded Turntrans-92.1-10.3173.8-53.8-72.8000114.3N181N181-Y183 PolarHBondContact O-N 2.92Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.26Å; N181-Y183 WeakPolarHBondContact OD1-CD2 3.41Å; N181-Y183 PolarHBondContact OD1-N 3.41Å; N181-Y183 VanDerWaalsContact OD1-N 3.1Å
184D56.3Low59.8Low133 Ų133104.8 Ų104.871%0.71156%0.563SS**THydrogen-bonded Turntrans-95.9-27175.9-82.4-37.7000113N181 G186N181-D184 HydrophobicContact CB-CB 4Å; N181-D184 WeakPolarHBondContact CB-OD2 3.48Å; N181-D184 VanDerWaalsContact ND2-CG 3.31Å; N181-D184 PolarHBondContact ND2-OD2 3Å; N181-D184 PolarHBondContact O-N 2.85Å; D184-G186 PolarHBondContact O-N 3.38Å
185V53.4Low60.3Low63 Ų6396.4 Ų96.438%0.38253%0.525SS..SBendtrans-78.3119167.9-166.50000106N181 D187N181-V185 PolarHBondContact O-N 3.4Å; V185-D187 HydrophobicContact CG1-CB 4.37Å; V185-D187 WeakPolarHBondContact CG1-OD2 3.4Å; V185-D187 PolarHBondContact O-N 3.25Å
186G55.4Low61.1Low40 Ų4097.2 Ų97.241%0.41252%0.515SS..SBendtrans-62.929.5-17600000116.5D184D184-G186 PolarHBondContact O-N 3.38Å
187D60Low62.2Low108 Ų10897 Ų9758%0.57851%0.513SS*.  trans-107.826.4-176.8-63.7-25.3000111.7V185 P189V185-D187 HydrophobicContact CG1-CB 4.37Å; V185-D187 WeakPolarHBondContact CG1-OD2 3.4Å; V185-D187 PolarHBondContact O-N 3.25Å; D187-P189 VanDerWaalsContact O-CD 3.23Å; D187-P189 WeakPolarHBondContact O-CD 3.39Å
188N64.3Low62.8Low46 Ų4696.9 Ų96.925%0.24650%0.496CS..  trans-67.7114.7168178.710.3000108.5A190 D191 I192N188-A190 PolarHBondContact O-N 2.89Å; N188-A190 VanDerWaalsContact O-N 3.09Å; N188-A190 PolarHBondContact OD1-N 2.86Å; N188-D191 HydrophobicContact CB-CB 4.22Å; N188-D191 WeakPolarHBondContact CB-OD2 3.47Å; N188-D191 PolarHBondContact ND2-OD2 3.19Å; N188-D191 PolarHBondContact O-N 3.25Å; N188-I192 PolarHBondContact O-N 3.37Å
189P69.2Low63.3Low98 Ų9893.3 Ų93.364%0.63648%0.476SS*.Hα-helixtrans-59.7-27.2-176.424.4-34.8000112.6D187 E193D187-P189 VanDerWaalsContact O-CD 3.23Å; D187-P189 WeakPolarHBondContact O-CD 3.39Å; P189-E193 WeakPolarHBondContact O-CB 3.37Å; P189-E193 PolarHBondContact O-N 3.36Å; P189-E193 VanDerWaalsContact O-N 3.11Å
190A65.7Low64Low53 Ų5389 Ų8944%0.43845%0.454SS..Hα-helixtrans-66.6-42.5174.600000111.9N188 E193 L194N188-A190 PolarHBondContact O-N 2.89Å; N188-A190 VanDerWaalsContact O-N 3.09Å; N188-A190 PolarHBondContact OD1-N 2.86Å; A190-E193 PolarHBondContact O-N 3.2Å; A190-L194 WeakPolarHBondContact O-CB 3.2Å; A190-L194 PolarHBondContact O-N 3.09Å
191D65.5Low64.4Low72 Ų7285 Ų8539%0.38544%0.444SS..Hα-helixtrans-68.3-38.1179.7-69.6-33.7000111.2N188 E193 L194 M195N188-D191 HydrophobicContact CB-CB 4.22Å; N188-D191 WeakPolarHBondContact CB-OD2 3.47Å; N188-D191 PolarHBondContact ND2-OD2 3.19Å; N188-D191 PolarHBondContact O-N 3.25Å; D191-E193 VanDerWaalsContact C-N 3.34Å; D191-E193 PolarHBondContact O-N 3.5Å; D191-L194 PolarHBondContact O-N 2.76Å; D191-M195 WeakPolarHBondContact O-CB 3.05Å; D191-M195 WeakPolarHBondContact O-CG 3.42Å; D191-M195 PolarHBondContact O-N 3.44Å
192I66.7Low64.9Low72 Ų7284.9 Ų84.937%0.36944%0.444SS..Hα-helixtrans-61.2-43.9174.4-61.9170.3000110.9N188 R196N188-I192 PolarHBondContact O-N 3.37Å; I192-R196 WeakPolarHBondContact O-CB 3.31Å; I192-R196 PolarHBondContact O-N 2.97Å
193E71.4Confident65.4Low83 Ų8384.3 Ų84.339%0.38844%0.438SS..Hα-helixtrans-69-40179.2-174163.8-142.100112.2P189 A190 D191 R196 L197 R252P189-E193 WeakPolarHBondContact O-CB 3.37Å; P189-E193 PolarHBondContact O-N 3.36Å; P189-E193 VanDerWaalsContact O-N 3.11Å; A190-E193 PolarHBondContact O-N 3.2Å; D191-E193 VanDerWaalsContact C-N 3.34Å; D191-E193 PolarHBondContact O-N 3.5Å; E193-R196 PolarHBondContact O-N 3.21Å; E193-L197 WeakPolarHBondContact O-CG 3.39Å; E193-L197 PolarHBondContact O-N 3.46Å; E193-R252 IonicContact OE1-CZ 3.83Å; E193-R252 IonicContact OE1-NE 2.65Å; E193-R252 IonicContact OE1-NH1 2.93Å; E193-R252 PolarHBondContact OE1-NH1 3.03Å; E193-R252 IonicContact OE1-NH2 2.78Å; E193-R252 PolarHBondContact OE1-NH2 3.45Å; E193-R252 IonicContact OE2-NH1 2.74Å
194L69Low65.7Low87 Ų8781.7 Ų81.746%0.45544%0.436SS..Hα-helixtrans-63.5-42.2176.5-137.3155000111.1A190 D191 L197 Y198A190-L194 WeakPolarHBondContact O-CB 3.2Å; A190-L194 PolarHBondContact O-N 3.09Å; D191-L194 PolarHBondContact O-N 2.76Å; L194-L197 PolarHBondContact O-N 2.94Å; L194-Y198 HydrophobicContact CD2-CD2 3.91Å; L194-Y198 HydrophobicContact CD2-CE2 3.28Å; L194-Y198 WeakPolarHBondContact O-CD2 3.03Å; L194-Y198 PolarHBondContact O-N 2.99Å; L194-Y198 VanDerWaalsContact O-N 3.15Å
195M69.7Low65.5Low29 Ų2981.1 Ų81.114%0.14343%0.433CS..Hα-helixtrans-64.4-42174.7-63.9-101.1-159.500112.3K144 I145 W148 D191 L197 Y198 E199K144-M195 HydrophobicContact CB-CE 3.72Å; K144-M195 WeakPolarHBondContact O-CE 3.42Å; I145-M195 HydrophobicContact CB-SD 4.42Å; I145-M195 HydrophobicContact CG1-SD 3.95Å; W148-M195 HydrophobicContact CB-CE 3.74Å; W148-M195 HydrophobicContact CB-CG 4.4Å; W148-M195 HydrophobicContact CB-SD 3.5Å; W148-M195 VanDerWaalsContact CB-SD 3.5Å; W148-M195 HydrophobicContact CD2-CB 3.89Å; W148-M195 HydrophobicContact CD2-CG 4.36Å; W148-M195 HydrophobicContact CD2-SD 4.33Å; W148-M195 HydrophobicContact CE3-CB 4.28Å; W148-M195 HydrophobicContact CG-CB 4.13Å; W148-M195 HydrophobicContact CG-CE 4.25Å; W148-M195 HydrophobicContact CG-CG 4.07Å; W148-M195 HydrophobicContact CG-SD 3.79Å; W148-M195 HydrophobicContact CZ2-CB 4.34Å; D191-M195 WeakPolarHBondContact O-CB 3.05Å; D191-M195 WeakPolarHBondContact O-CG 3.42Å; D191-M195 PolarHBondContact O-N 3.44Å; M195-L197 VanDerWaalsContact C-N 3.29Å; M195-L197 PolarHBondContact O-N 3.21Å; M195-Y198 WeakPolarHBondContact O-CB 3.49Å; M195-Y198 PolarHBondContact O-N 3.03Å; M195-E199 PolarHBondContact O-N 3.03Å
196R74.9Confident65.4Low180 Ų18086 Ų8668%0.67945%0.452SS*.Hα-helixtrans-62.8-35.9176.5-173.4-179.4-177.7177.51.9112.2I192 E193 E199 A200I192-R196 WeakPolarHBondContact O-CB 3.31Å; I192-R196 PolarHBondContact O-N 2.97Å; E193-R196 PolarHBondContact O-N 3.21Å; R196-E199 PolarHBondContact O-N 3.09Å; R196-A200 PolarHBondContact O-N 3.01Å
197L76.3Confident64.9Low92 Ų9289.9 Ų89.948%0.48247%0.467SS..Hα-helixtrans-66.3-40.8173.7-71.4171.7000111.6E193 L194 M195 A200 I201E193-L197 WeakPolarHBondContact O-CG 3.39Å; E193-L197 PolarHBondContact O-N 3.46Å; L194-L197 PolarHBondContact O-N 2.94Å; M195-L197 VanDerWaalsContact C-N 3.29Å; M195-L197 PolarHBondContact O-N 3.21Å; L197-A200 PolarHBondContact O-N 3.04Å; L197-I201 VanDerWaalsContact O-CG1 3.3Å; L197-I201 WeakPolarHBondContact O-CG1 3.31Å; L197-I201 PolarHBondContact O-N 3.28Å
198Y67.2Low63.7Low79 Ų7986.8 Ų86.831%0.3146%0.461SS..Hα-helixtrans-61.6-42.8172.7-79.1-68.7000112.3I141 I145 L194 M195 A200 I201 D202I141-Y198 HydrophobicContact CG2-CD2 4.07Å; I141-Y198 HydrophobicContact CG2-CE1 4.27Å; I141-Y198 HydrophobicContact CG2-CE2 3.58Å; I145-Y198 HydrophobicContact CD1-CD1 4.26Å; I145-Y198 HydrophobicContact CD1-CD2 4.14Å; I145-Y198 HydrophobicContact CD1-CG 3.83Å; L194-Y198 HydrophobicContact CD2-CD2 3.91Å; L194-Y198 HydrophobicContact CD2-CE2 3.28Å; L194-Y198 WeakPolarHBondContact O-CD2 3.03Å; L194-Y198 PolarHBondContact O-N 2.99Å; L194-Y198 VanDerWaalsContact O-N 3.15Å; M195-Y198 WeakPolarHBondContact O-CB 3.49Å; M195-Y198 PolarHBondContact O-N 3.03Å; Y198-A200 VanDerWaalsContact C-N 3.31Å; Y198-A200 PolarHBondContact O-N 3.33Å; Y198-I201 PolarHBondContact O-N 2.86Å; Y198-I201 VanDerWaalsContact O-N 3.13Å; Y198-D202 PolarHBondContact O-N 3.22Å
199E68.8Low62.5Low44 Ų4489.5 Ų89.521%0.20648%0.483CS..Hα-helixtrans-58.9-42.1174.8-168.7177-144.700111.4W148 K152 M195 R196 I201 D202 E203W148-E199 VanDerWaalsContact CH2-OE2 3.24Å; W148-E199 WeakPolarHBondContact CH2-OE2 3.35Å; K152-E199 IonicContact NZ-OE1 3.04Å; K152-E199 PolarHBondContact NZ-OE1 2.77Å; K152-E199 IonicContact NZ-OE2 2.85Å; K152-E199 PolarHBondContact NZ-OE2 2.84Å; M195-E199 PolarHBondContact O-N 3.03Å; R196-E199 PolarHBondContact O-N 3.09Å; E199-I201 PolarHBondContact O-N 3.42Å; E199-D202 PolarHBondContact O-N 2.89Å; E199-E203 WeakPolarHBondContact O-CG 3.42Å; E199-E203 PolarHBondContact O-N 3.34Å
200A73.2Confident61Low37 Ų3789.9 Ų89.931%0.30648%0.479SS..Hα-helixtrans-67.8-31.5175.900000113.3R196 L197 Y198 N204R196-A200 PolarHBondContact O-N 3.01Å; L197-A200 PolarHBondContact O-N 3.04Å; Y198-A200 VanDerWaalsContact C-N 3.31Å; Y198-A200 PolarHBondContact O-N 3.33Å; A200-N204 WeakPolarHBondContact O-CB 3.12Å; A200-N204 VanDerWaalsContact O-CG 3.24Å; A200-N204 PolarHBondContact O-N 2.86Å; A200-N204 VanDerWaalsContact O-N 3.13Å; A200-N204 PolarHBondContact O-ND2 2.77Å
201I66.8Low59.8Low91 Ų9193.9 Ų93.947%0.46749%0.493SS..Hα-helixtrans-71.7-42.9175.2-66.9161.8000110.3L197 Y198 E199 N204 N205L197-I201 VanDerWaalsContact O-CG1 3.3Å; L197-I201 WeakPolarHBondContact O-CG1 3.31Å; L197-I201 PolarHBondContact O-N 3.28Å; Y198-I201 PolarHBondContact O-N 2.86Å; Y198-I201 VanDerWaalsContact O-N 3.13Å; E199-I201 PolarHBondContact O-N 3.42Å; I201-N204 PolarHBondContact O-N 3.48Å; I201-N205 WeakPolarHBondContact O-CB 3.33Å; I201-N205 PolarHBondContact O-N 2.66Å
202D62.5Low58.4Low66 Ų6697.8 Ų97.835%0.35351%0.507SS..Hα-helixtrans-58.4-47.4175-74.6-10.7000110.6K149 Y198 E199 N204 N205 E206K149-D202 IonicContact NZ-OD2 2.85Å; K149-D202 PolarHBondContact NZ-OD2 3.21Å; Y198-D202 PolarHBondContact O-N 3.22Å; E199-D202 PolarHBondContact O-N 2.89Å; D202-N204 VanDerWaalsContact C-N 3.33Å; D202-N204 PolarHBondContact O-N 2.99Å; D202-N205 PolarHBondContact O-N 2.79Å; D202-E206 PolarHBondContact O-N 3.46Å
203E65Low57.6Low118 Ų11898.9 Ų98.955%0.55152%0.521SS*.Hα-helixtrans-60.9-39.4177.1-75.3177179.600112.4E199 V207E199-E203 WeakPolarHBondContact O-CG 3.42Å; E199-E203 PolarHBondContact O-N 3.34Å; E203-V207 WeakPolarHBondContact O-CG2 3.41Å
204N58Low56Low125 Ų12599.7 Ų99.767%0.66853%0.528SS*.Hα-helixtrans-73.8-27.3177.7-74-48.1000113A200 I201 D202A200-N204 WeakPolarHBondContact O-CB 3.12Å; A200-N204 VanDerWaalsContact O-CG 3.24Å; A200-N204 PolarHBondContact O-N 2.86Å; A200-N204 VanDerWaalsContact O-N 3.13Å; A200-N204 PolarHBondContact O-ND2 2.77Å; I201-N204 PolarHBondContact O-N 3.48Å; D202-N204 VanDerWaalsContact C-N 3.33Å; D202-N204 PolarHBondContact O-N 2.99Å
205N52.7Low55.2Low120 Ų12099.4 Ų99.464%0.64254%0.538SS*.Hα-helixtrans-82.3-30.9175.1-101.5-15.4000113I201 D202 V207 G208I201-N205 WeakPolarHBondContact O-CB 3.33Å; I201-N205 PolarHBondContact O-N 2.66Å; D202-N205 PolarHBondContact O-N 2.79Å; N205-V207 PolarHBondContact O-N 2.97Å; N205-G208 WeakPolarHBondContact O-CA 3.17Å; N205-G208 PolarHBondContact O-N 3.45Å
206E50.4Low54.4Low167 Ų167106 Ų10678%0.7857%0.569SS**Hα-helixtrans-66.7-22176-81.8-169.4160.400112.8D202 G208D202-E206 PolarHBondContact O-N 3.46Å; E206-G208 PolarHBondContact O-N 3.28Å
207V45.1Very low53.4Low120 Ų120104.2 Ų104.273%0.72757%0.568SS**THydrogen-bonded Turntrans-81.92.7170-128.40000113.5E203 N205E203-V207 WeakPolarHBondContact O-CG2 3.41Å; N205-V207 PolarHBondContact O-N 2.97Å
208G36Very low52.2Low43 Ų43104.2 Ų104.244%0.44357%0.568SS.*THydrogen-bonded Turntrans-102.17.5-176.200000115.9N205 E206 I210N205-G208 WeakPolarHBondContact O-CA 3.17Å; N205-G208 PolarHBondContact O-N 3.45Å; E206-G208 PolarHBondContact O-N 3.28Å; G208-I210 PolarHBondContact O-N 3.43Å
209S38.1Very low51.8Low103 Ų103104.4 Ų104.472%0.7258%0.577SS**  trans-74.563.8165.3-1710000110D211S209-D211 PolarHBondContact O-N 3.21Å
210I38.4Very low51.2Low107 Ų107105 Ų10555%0.54959%0.589SS.*  trans-73.6110.7168.4-62.9169.6000106.2G208 F212G208-I210 PolarHBondContact O-N 3.43Å; I210-F212 VanDerWaalsContact C-N 3.33Å; I210-F212 HydrophobicContact CB-CE2 4.22Å; I210-F212 HydrophobicContact CB-CZ 4.18Å; I210-F212 HydrophobicContact CG2-CD1 4.36Å; I210-F212 HydrophobicContact CG2-CE1 4.15Å; I210-F212 HydrophobicContact CG2-CZ 4.24Å; I210-F212 WeakPolarHBondContact O-CD2 3.34Å; I210-F212 PolarHBondContact O-N 2.81Å
211D39.7Very low50.3Low136 Ų136110.2 Ų110.273%0.72761%0.612SS**  trans-58.393.9169.6-72-28.8000109.2S209 S213S209-D211 PolarHBondContact O-N 3.21Å; D211-S213 PolarHBondContact O-N 2.96Å; D211-S213 PolarHBondContact O-OG 3.43Å
212F37.5Very low49.8Very low155 Ų155112.2 Ų112.268%0.6862%0.622SS**  trans-72.865.9174.7-67-77.4000110.6I210 L218I210-F212 VanDerWaalsContact C-N 3.33Å; I210-F212 HydrophobicContact CB-CE2 4.22Å; I210-F212 HydrophobicContact CB-CZ 4.18Å; I210-F212 HydrophobicContact CG2-CD1 4.36Å; I210-F212 HydrophobicContact CG2-CE1 4.15Å; I210-F212 HydrophobicContact CG2-CZ 4.24Å; I210-F212 WeakPolarHBondContact O-CD2 3.34Å; I210-F212 PolarHBondContact O-N 2.81Å; F212-L218 HydrophobicContact CD1-CD1 4.37Å
213S48.5Very low49.5Very low95 Ų95114.1 Ų114.166%0.66463%0.632SS**  trans-90.5-10.9179.246.30000113.2D211D211-S213 PolarHBondContact O-N 2.96Å; D211-S213 PolarHBondContact O-OG 3.43Å
214N39.1Very low48.7Very low99 Ų99115.3 Ų115.353%0.52964%0.642SS.*  trans-118.4100-179.6-73.4-32.1000111.8E216 Q217N214-E216 PolarHBondContact O-N 2.74Å; N214-Q217 PolarHBondContact O-N 3.36Å
215A51.2Low48.3Very low82 Ų82117.3 Ų117.368%0.67865%0.653SS**Hα-helixtrans-57.8-14.2175.900000114.2
216E52.9Low47.7Very low168 Ų168119.5 Ų119.579%0.78566%0.659SS**Hα-helixtrans-75.8-28.9178.2-72.7178.6157.200113.6N214N214-E216 PolarHBondContact O-N 2.74Å
217Q54.3Low47.3Very low141 Ų141118.3 Ų118.366%0.65966%0.658SS**Hα-helixtrans-79.7-24.7-178.7-75.9178-4.100113.2N214N214-Q217 PolarHBondContact O-N 3.36Å
218L51.6Low47.4Very low93 Ų93117.8 Ų117.849%0.48766%0.656SS.*Hα-helixtrans-73.5-28175.6-102.1166000112.8F212 I222F212-L218 HydrophobicContact CD1-CD1 4.37Å; L218-I222 WeakPolarHBondContact O-CD1 3.38Å; L218-I222 WeakPolarHBondContact O-CG1 3.34Å
219V59Low47.7Very low82 Ų82122.5 Ų122.550%0.49767%0.671SS.*Hα-helixtrans-80.1-28.3-179.6176.50000111.7I222 N223V219-I222 PolarHBondContact O-N 3.04Å; V219-N223 PolarHBondContact O-ND2 3.15Å
220A56.5Low48.2Very low56 Ų56125.9 Ų125.946%0.46368%0.675SS.*Hα-helixtrans-67.9-35.8176.600000112.7I222A220-I222 PolarHBondContact O-N 3.38Å
221L53.9Low48.5Very low148 Ų148127.8 Ų127.878%0.77569%0.685SS**THydrogen-bonded Turntrans-73.7-11.4-180-77.4160000114.2
222I56.6Low48.7Very low132 Ų132127.6 Ų127.668%0.67769%0.685SS**THydrogen-bonded Turntrans-97.7-15.1-177-64.7171.6000111.9L218 V219 A220L218-I222 WeakPolarHBondContact O-CD1 3.38Å; L218-I222 WeakPolarHBondContact O-CG1 3.34Å; V219-I222 PolarHBondContact O-N 3.04Å; A220-I222 PolarHBondContact O-N 3.38Å
223N54.3Low49.1Very low107 Ų107125.5 Ų125.557%0.57268%0.68SS**SBendtrans-111.62.2-166.2-67-21.2000115.8V219 D225V219-N223 PolarHBondContact O-ND2 3.15Å; N223-D225 PolarHBondContact O-N 3.33Å
224D49.7Very low48.9Very low143 Ų143128.4 Ų128.477%0.76568%0.683SS**  trans-92.312.1-171.2-75.5-19.4000115.4
225D48.3Very low49Very low166 Ų166130.1 Ų130.189%0.88870%0.697SS**  trans-104.860176.8-94.6-17.9000112N223N223-D225 PolarHBondContact O-N 3.33Å
226E41Very low48.4Very low167 Ų167129.9 Ų129.978%0.7870%0.703SS**  trans-136.9107.6161.8-70.2-162.9169.400109.7
227N42.7Very low47.9Very low141 Ų141127.6 Ų127.675%0.75471%0.705SS**  trans162.3117.1131.2-84.5-57.7000112.7
228T45.6Very low47.3Very low110 Ų110126.2 Ų126.268%0.67571%0.711SS**  trans58.1141.9134.462.90000119.5
229D43.3Very low46.6Very low142 Ų142126.1 Ų126.176%0.75972%0.724SS**  cis-178.7164.9-9.4-98.7-36000103.7
230E48Very low46Very low174 Ų174128.8 Ų128.881%0.81374%0.741SS**  trans101.6100.2158.9-56.2-160.1156.400120.5
231L45.9Very low45.4Very low146 Ų146136 Ų13676%0.76476%0.762SS**  trans92.796.7134.4-90.293.9000120.9
232D43.9Very low44.9Very low133 Ų133134 Ų13471%0.71176%0.76SS**  40.9138.1114.1-79.916.7000119.1
233N44.9Very low44.6Very low110 Ų110136.1 Ų136.159%0.58877%0.769SS**  cis-173.4137.411.7-103.2-37.9000103.1
234H44.5Very low44.3Very low157 Ų157135.7 Ų135.773%0.72777%0.774SS**  173.6136.183-94.9-56.6000109.7
235T40.7Very low44.2Very low134 Ų134133.9 Ų133.982%0.82277%0.773SS**  trans67.7108.1143.265.80000120.1
236G39.8Very low44Very low77 Ų77133.3 Ų133.379%0.79477%0.769SS**  trans118.9107.7130.800000117.4
237S41.6Very low44.3Very low120 Ų120128.8 Ų128.884%0.83976%0.756SS**  trans94.8100.6147.8-148.80000119.5
238S41.4Very low44.4Very low113 Ų113126.9 Ų126.979%0.7975%0.75SS**  68122.4120.2-149.80000120.6
239A37.9Very low44.5Very low91 Ų91127.8 Ų127.875%0.75276%0.755SS**  trans-75.1116.4-175.900000113.5
240T45.5Very low44.8Very low138 Ų138125.8 Ų125.885%0.84775%0.748SS**  trans-150.177.8149.954.10000108.1S242T240-S242 PolarHBondContact O-N 3.4Å
241K43.7Very low45Very low207 Ų207126 Ų12690%0.975%0.746SS**  trans-92.590.9174.5-73.2-177.1179.6179.80109.2
242S44.2Very low45.3Very low107 Ų107126.4 Ų126.475%0.74874%0.737SS**SBendtrans-170.6129.9158.2-78.60000106.2T240T240-S242 PolarHBondContact O-N 3.4Å
243M49.4Very low45.5Very low175 Ų175124.2 Ų124.286%0.86274%0.738SS**SBendtrans105.3-2.4175.1-53.6-95.2-73.900118.9
244S48.1Very low46Very low98 Ų98128.9 Ų128.969%0.68575%0.754SS**THydrogen-bonded Turntrans-92.40.8-175.269.80000116.5S247S244-S247 PolarHBondContact O-OG 3.5Å
245S47.9Very low47Very low105 Ų105126.6 Ų126.673%0.73475%0.751SS**THydrogen-bonded Turntrans-92.9-6.7-178.758.90000114.8
246L44.4Very low48Very low154 Ų154122.7 Ų122.781%0.80673%0.732SS**SBendtrans-101.1-7.2179.2-68.9164.5000113.6
247S47.4Very low49.4Very low72 Ų72127.8 Ų127.850%0.50373%0.734SS.*SBendtrans-88.7-1.2-174.757.90000115.3S244S244-S247 PolarHBondContact O-OG 3.5Å
248T45.1Very low51.1Low102 Ų102127.1 Ų127.163%0.62673%0.725SS**SBendtrans-98.6-15.1-169.2-420000113.4
249T46.3Very low52.8Low128 Ų128127.4 Ų127.479%0.78572%0.724SS**SBendtrans-107.5-9.1-172-48.60000114.3
250V50.8Low54.5Low100 Ų100129.4 Ų129.461%0.60672%0.721SS**  trans-130.659.3177.8-165.80000110.9R252V250-R252 VanDerWaalsContact C-N 3.27Å; V250-R252 HydrophobicContact CG1-CG 4.06Å; V250-R252 PolarHBondContact O-N 2.98Å
251K51.3Low56.4Low180 Ų180129.1 Ų129.178%0.78371%0.705SS**  trans-85.276.2163.4-70.5-177.5-178.5176.30108.6A253K251-A253 PolarHBondContact O-N 3.37Å
252R52.8Low58.4Low153 Ų153121.8 Ų121.858%0.57768%0.68SS**  trans-70.6115166.4-74.2-179.9-177.3159.8-15.7107.9E193 V250 F254E193-R252 IonicContact OE1-CZ 3.83Å; E193-R252 IonicContact OE1-NE 2.65Å; E193-R252 IonicContact OE1-NH1 2.93Å; E193-R252 PolarHBondContact OE1-NH1 3.03Å; E193-R252 IonicContact OE1-NH2 2.78Å; E193-R252 PolarHBondContact OE1-NH2 3.45Å; E193-R252 IonicContact OE2-NH1 2.74Å; V250-R252 VanDerWaalsContact C-N 3.27Å; V250-R252 HydrophobicContact CG1-CG 4.06Å; V250-R252 PolarHBondContact O-N 2.98Å; R252-F254 PolarHBondContact O-N 3.42Å
253A48.4Very low60.5Low88 Ų88122.7 Ų122.773%0.72767%0.672SS**  trans-66.8111.3174.100000108.8K251 V255K251-A253 PolarHBondContact O-N 3.37Å; A253-V255 PolarHBondContact O-N 2.92Å
254F55.5Low62.4Low208 Ų208121.8 Ų121.891%0.91267%0.666SS**  trans-69.9109.3167.7-142.7-92.1000107.1R252 A256R252-F254 PolarHBondContact O-N 3.42Å; F254-A256 PolarHBondContact O-N 3.25Å
255V64.7Low64.5Low109 Ų109122.1 Ų122.166%0.66166%0.657SS**  trans-90.992.8179.2-178.30000108.6A253 H257A253-V255 PolarHBondContact O-N 2.92Å; V255-H257 PolarHBondContact O-N 3.05Å
256A61.3Low66.3Low52 Ų52120.8 Ų120.843%0.4364%0.641SS.*  trans-72.5123164.800000108.7F254 V258 I260F254-A256 PolarHBondContact O-N 3.25Å; A256-V258 PolarHBondContact O-N 2.74Å; A256-I260 HydrophobicContact CB-CD1 3.6Å; A256-I260 HydrophobicContact CB-CG1 4.44Å
257H69.3Low68.5Low183 Ų183118.5 Ų118.585%0.84763%0.626SS**SBendtrans-75.9-1.6177.1-79.566.3000113.2V255V255-H257 PolarHBondContact O-N 3.05Å
258V78.8Confident70.6Confident106 Ų106118 Ų11864%0.64263%0.626SS**SBendtrans-102.8128.8174.3-176.50000107.6A256 I260A256-V258 PolarHBondContact O-N 2.74Å; V258-I260 PolarHBondContact O-N 3.19Å
259P75.2Confident72.7Confident120 Ų120116 Ų11678%0.77962%0.62SS**  trans-64.3104.8176.124.1-31000110
260I74.2Confident74.8Confident132 Ų132115.2 Ų115.268%0.67761%0.61SS**PPolyproline II helixtrans-90.3126.8175.9-59.6165.3000107.9A256 V258A256-I260 HydrophobicContact CB-CD1 3.6Å; A256-I260 HydrophobicContact CB-CG1 4.44Å; V258-I260 PolarHBondContact O-N 3.19Å
261Y84.9Confident76.7Confident133 Ų133114 Ų11452%0.52260%0.603SS.*PPolyproline II helixtrans-61.1138.3173.9-65.1-78.1000111Q265 F312Y261-Q265 HydrophobicContact CD1-CB 4.44Å; Y261-F312 WeakPolarHBondContact OH-CE2 3.43Å; Y261-F312 WeakPolarHBondContact OH-CZ 3.46Å
262S86.8Confident78.5Confident52 Ų52108.2 Ų108.236%0.36459%0.588SS.*PPolyproline II helixtrans-66.3153174.571.40000110.6E264 Q265 I266S262-E264 PolarHBondContact O-N 2.82Å; S262-E264 VanDerWaalsContact O-N 3.14Å; S262-Q265 VanDerWaalsContact N-OE1 3.07Å; S262-Q265 WeakPolarHBondContact O-CA 3.47Å; S262-Q265 WeakPolarHBondContact O-CB 3.5Å; S262-Q265 PolarHBondContact O-N 2.94Å; S262-Q265 VanDerWaalsContact OG-CG 3.26Å; S262-Q265 WeakPolarHBondContact OG-CG 3.48Å; S262-Q265 PolarHBondContact OG-N 3.41Å; S262-I266 WeakPolarHBondContact O-CG1 3.3Å; S262-I266 PolarHBondContact O-N 2.91Å
263Q87.4Confident80.3Confident126 Ų126107.4 Ų107.459%0.58959%0.591SS**Hα-helixtrans-50.6-39.8176.4-179.563.822.200112I266 E267Q263-I266 PolarHBondContact O-N 2.8Å; Q263-E267 PolarHBondContact NE2-OE1 3.32Å; Q263-E267 WeakPolarHBondContact O-CB 3.49Å; Q263-E267 WeakPolarHBondContact O-CG 3.4Å; Q263-E267 PolarHBondContact O-N 2.96Å
264E90.6Very high82.1Confident156 Ų156109.5 Ų109.573%0.72958%0.581SS**Hα-helixtrans-65.3-39.8176.6-172.6178.9-176.700112.7S262 E267 A268S262-E264 PolarHBondContact O-N 2.82Å; S262-E264 VanDerWaalsContact O-N 3.14Å; E264-E267 PolarHBondContact O-N 2.85Å; E264-A268 VanDerWaalsContact O-CB 3.3Å; E264-A268 WeakPolarHBondContact O-CB 3.3Å; E264-A268 PolarHBondContact O-N 3.46Å
265Q90.8Very high83.8Confident105 Ų105106 Ų10649%0.49157%0.565SS.*Hα-helixtrans-66.4-39.1175.2-73.5166.8-3.500111.6Y261 S262 A269Y261-Q265 HydrophobicContact CD1-CB 4.44Å; S262-Q265 VanDerWaalsContact N-OE1 3.07Å; S262-Q265 WeakPolarHBondContact O-CA 3.47Å; S262-Q265 WeakPolarHBondContact O-CB 3.5Å; S262-Q265 PolarHBondContact O-N 2.94Å; S262-Q265 VanDerWaalsContact OG-CG 3.26Å; S262-Q265 WeakPolarHBondContact OG-CG 3.48Å; S262-Q265 PolarHBondContact OG-N 3.41Å; Q265-A269 WeakPolarHBondContact O-CB 3.39Å; Q265-A269 PolarHBondContact O-N 3.42Å
266I86.9Confident84.7Confident77 Ų77109.1 Ų109.140%0.39557%0.565SS.*Hα-helixtrans-64-48176.2-63167.7000109.9S262 Q263 A268 A269 L270S262-I266 WeakPolarHBondContact O-CG1 3.3Å; S262-I266 PolarHBondContact O-N 2.91Å; Q263-I266 PolarHBondContact O-N 2.8Å; I266-A268 PolarHBondContact O-N 3.16Å; I266-A269 PolarHBondContact O-N 2.67Å; I266-L270 WeakPolarHBondContact O-CB 3.46Å; I266-L270 PolarHBondContact O-N 3.38Å
267E89.4Confident85.8Confident107 Ų107109.7 Ų109.750%0.556%0.559SS.*Hα-helixtrans-61.8-43.7177.9-74.4175.2-166.900112Q263 E264 L270 V271Q263-E267 PolarHBondContact NE2-OE1 3.32Å; Q263-E267 WeakPolarHBondContact O-CB 3.49Å; Q263-E267 WeakPolarHBondContact O-CG 3.4Å; Q263-E267 PolarHBondContact O-N 2.96Å; E264-E267 PolarHBondContact O-N 2.85Å; E267-L270 PolarHBondContact O-N 3.45Å; E267-V271 WeakPolarHBondContact O-CB 3.36Å; E267-V271 VanDerWaalsContact O-CG2 3.23Å; E267-V271 WeakPolarHBondContact O-CG2 3.44Å; E267-V271 PolarHBondContact O-N 3.22Å
268A91.8Very high86.5Confident60 Ų60104.8 Ų104.850%0.49654%0.538SS..Hα-helixtrans-63.2-43.4177.900000112.4E264 I266 V271 A272E264-A268 VanDerWaalsContact O-CB 3.3Å; E264-A268 WeakPolarHBondContact O-CB 3.3Å; E264-A268 PolarHBondContact O-N 3.46Å; I266-A268 PolarHBondContact O-N 3.16Å; A268-V271 PolarHBondContact O-N 3.12Å; A268-A272 WeakPolarHBondContact O-CB 3.36Å; A268-A272 PolarHBondContact O-N 3.04Å
269A89Confident86.5Confident62 Ų62104.4 Ų104.451%0.51253%0.531SS..Hα-helixtrans-63.3-41.9176.500000111.6Q265 I266 A272 Q273Q265-A269 WeakPolarHBondContact O-CB 3.39Å; Q265-A269 PolarHBondContact O-N 3.42Å; I266-A269 PolarHBondContact O-N 2.67Å; A269-A272 PolarHBondContact O-N 3.44Å; A269-Q273 WeakPolarHBondContact O-CB 3.47Å; A269-Q273 PolarHBondContact O-N 3.33Å
270L90.3Very high86.6Confident110 Ų110104.6 Ų104.658%0.57652%0.522SS*.Hα-helixtrans-69.2-38.6-180-153.4143.4000111.6I266 E267 R274I266-L270 WeakPolarHBondContact O-CB 3.46Å; I266-L270 PolarHBondContact O-N 3.38Å; E267-L270 PolarHBondContact O-N 3.45Å; L270-R274 WeakPolarHBondContact O-CB 3.41Å; L270-R274 PolarHBondContact O-N 2.97Å
271V91.1Very high86.9Confident76 Ų76104.6 Ų104.646%0.46152%0.517SS..Hα-helixtrans-64.6-42172.1169.50000111.4E267 A268 R274 K275E267-V271 WeakPolarHBondContact O-CB 3.36Å; E267-V271 VanDerWaalsContact O-CG2 3.23Å; E267-V271 WeakPolarHBondContact O-CG2 3.44Å; E267-V271 PolarHBondContact O-N 3.22Å; A268-V271 PolarHBondContact O-N 3.12Å; V271-R274 PolarHBondContact O-N 3.1Å; V271-K275 HydrophobicContact CG1-CD 4.13Å; V271-K275 WeakPolarHBondContact O-CB 3.44Å; V271-K275 VanDerWaalsContact O-CG 3.28Å; V271-K275 WeakPolarHBondContact O-CG 3.41Å; V271-K275 PolarHBondContact O-N 2.85Å
272A90Very high86.5Confident57 Ų57107.5 Ų107.547%0.47153%0.529SS..Hα-helixtrans-64.8-43.6177.400000112A268 A269 R274 K275 R276A268-A272 WeakPolarHBondContact O-CB 3.36Å; A268-A272 PolarHBondContact O-N 3.04Å; A269-A272 PolarHBondContact O-N 3.44Å; A272-R274 PolarHBondContact O-N 2.92Å; A272-K275 PolarHBondContact O-N 2.85Å; A272-R276 PolarHBondContact O-N 3.22Å
273Q89.7Confident85.7Confident137 Ų137107.8 Ų107.864%0.6453%0.525SS*.Hα-helixtrans-60.6-45.4175.1-170-178.417.100111.2A269 K275 R276 E277A269-Q273 WeakPolarHBondContact O-CB 3.47Å; A269-Q273 PolarHBondContact O-N 3.33Å; Q273-K275 VanDerWaalsContact C-N 3.34Å; Q273-K275 PolarHBondContact O-N 3.4Å; Q273-R276 WeakPolarHBondContact O-CB 3.17Å; Q273-R276 PolarHBondContact O-N 2.98Å; Q273-E277 PolarHBondContact O-N 3.41Å
274R87.2Confident84.9Confident132 Ų132105.2 Ų105.250%0.49852%0.521SS..Hα-helixtrans-65.2-37.3178.7-166.756.7168.9-177.4-4.6112.4L270 V271 A272 E277 I278L270-R274 WeakPolarHBondContact O-CB 3.41Å; L270-R274 PolarHBondContact O-N 2.97Å; V271-R274 PolarHBondContact O-N 3.1Å; A272-R274 PolarHBondContact O-N 2.92Å; R274-E277 IonicContact CZ-OE2 3.73Å; R274-E277 VanDerWaalsContact NH1-CD 3.29Å; R274-E277 IonicContact NH1-OE1 3.23Å; R274-E277 PolarHBondContact NH1-OE1 3.41Å; R274-E277 IonicContact NH1-OE2 2.69Å; R274-E277 PolarHBondContact NH1-OE2 3.09Å; R274-I278 HydrophobicContact CG-CD1 4.13Å; R274-I278 WeakPolarHBondContact O-CB 3.49Å; R274-I278 WeakPolarHBondContact O-CD1 3.29Å; R274-I278 WeakPolarHBondContact O-CG1 3.37Å; R274-I278 PolarHBondContact O-N 3.11Å
275K90Very high83.8Confident134 Ų134102 Ų10258%0.58352%0.515SS*.Hα-helixtrans-61.8-43.2173.2-76.8173.5179.7178.10111.5V271 A272 Q273 I278 L279V271-K275 HydrophobicContact CG1-CD 4.13Å; V271-K275 WeakPolarHBondContact O-CB 3.44Å; V271-K275 VanDerWaalsContact O-CG 3.28Å; V271-K275 WeakPolarHBondContact O-CG 3.41Å; V271-K275 PolarHBondContact O-N 2.85Å; A272-K275 PolarHBondContact O-N 2.85Å; Q273-K275 VanDerWaalsContact C-N 3.34Å; Q273-K275 PolarHBondContact O-N 3.4Å; K275-I278 PolarHBondContact O-N 2.95Å; K275-L279 WeakPolarHBondContact O-CG 3.47Å; K275-L279 PolarHBondContact O-N 3.47Å
276R84.4Confident82.8Confident174 Ų174103 Ų10366%0.65752%0.524SS*.Hα-helixtrans-63.8-47.3177.1-164.9-172.9-157.9120.34.4112A272 Q273 I278 L279 E280A272-R276 PolarHBondContact O-N 3.22Å; Q273-R276 WeakPolarHBondContact O-CB 3.17Å; Q273-R276 PolarHBondContact O-N 2.98Å; R276-I278 VanDerWaalsContact C-N 3.3Å; R276-I278 PolarHBondContact O-N 3.12Å; R276-L279 WeakPolarHBondContact O-CB 3.35Å; R276-L279 PolarHBondContact O-N 2.9Å; R276-L279 VanDerWaalsContact O-N 3.12Å; R276-E280 IonicContact NE-OE1 3.87Å; R276-E280 WeakPolarHBondContact O-CG 3.07Å; R276-E280 PolarHBondContact O-N 3.2Å
277E84.7Confident82Confident65 Ų65103 Ų10330%0.30452%0.524SS..Hα-helixtrans-62.5-37.8179.2-168.4-164.6161.100111.9Q273 R274 K281Q273-E277 PolarHBondContact O-N 3.41Å; R274-E277 IonicContact CZ-OE2 3.73Å; R274-E277 VanDerWaalsContact NH1-CD 3.29Å; R274-E277 IonicContact NH1-OE1 3.23Å; R274-E277 PolarHBondContact NH1-OE1 3.41Å; R274-E277 IonicContact NH1-OE2 2.69Å; R274-E277 PolarHBondContact NH1-OE2 3.09Å; E277-K281 WeakPolarHBondContact O-CB 3.21Å; E277-K281 VanDerWaalsContact O-CG 3.32Å; E277-K281 WeakPolarHBondContact O-CG 2.98Å; E277-K281 PolarHBondContact O-N 3.04Å; E277-K281 WeakPolarHBondContact OE1-CE 3.36Å; E277-K281 IonicContact OE1-NZ 2.64Å; E277-K281 PolarHBondContact OE1-NZ 2.86Å
278I83Confident80.9Confident80 Ų80101.9 Ų101.941%0.4152%0.522SS..Hα-helixtrans-66-45.6173.5-69.9168.1000110R274 K275 R276 E280 K281 Y282R274-I278 HydrophobicContact CG-CD1 4.13Å; R274-I278 WeakPolarHBondContact O-CB 3.49Å; R274-I278 WeakPolarHBondContact O-CD1 3.29Å; R274-I278 WeakPolarHBondContact O-CG1 3.37Å; R274-I278 PolarHBondContact O-N 3.11Å; K275-I278 PolarHBondContact O-N 2.95Å; R276-I278 VanDerWaalsContact C-N 3.3Å; R276-I278 PolarHBondContact O-N 3.12Å; I278-E280 VanDerWaalsContact C-N 3.33Å; I278-E280 PolarHBondContact O-N 3.49Å; I278-K281 PolarHBondContact O-N 3.09Å; I278-Y282 HydrophobicContact CG2-CD2 3.75Å; I278-Y282 HydrophobicContact CG2-CE2 4.1Å; I278-Y282 VanDerWaalsContact O-CD2 3.23Å; I278-Y282 WeakPolarHBondContact O-CD2 3.28Å; I278-Y282 PolarHBondContact O-N 3.25Å
279L79.3Confident80.1Confident97 Ų97101.3 Ų101.351%0.50852%0.517SS..Hα-helixtrans-59.1-43.9176.3-74.4169.4000111.6K275 R276 K281 Y282 M283K275-L279 WeakPolarHBondContact O-CG 3.47Å; K275-L279 PolarHBondContact O-N 3.47Å; R276-L279 WeakPolarHBondContact O-CB 3.35Å; R276-L279 PolarHBondContact O-N 2.9Å; R276-L279 VanDerWaalsContact O-N 3.12Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.04Å; L279-Y282 PolarHBondContact O-N 3.45Å; L279-M283 HydrophobicContact CD2-CE 4.33Å; L279-M283 HydrophobicContact CD2-CG 4.47Å; L279-M283 HydrophobicContact CD2-SD 4.4Å; L279-M283 WeakPolarHBondContact O-CB 3.5Å; L279-M283 VanDerWaalsContact O-CG 3.27Å; L279-M283 WeakPolarHBondContact O-CG 3.34Å; L279-M283 PolarHBondContact O-N 3.44Å
280E78.1Confident79.4Confident124 Ų124101 Ų10158%0.57951%0.511SS*.Hα-helixtrans-62.3-36.8176.2-74.8173.6-171.700112.8R276 I278R276-E280 IonicContact NE-OE1 3.87Å; R276-E280 WeakPolarHBondContact O-CG 3.07Å; R276-E280 PolarHBondContact O-N 3.2Å; I278-E280 VanDerWaalsContact C-N 3.33Å; I278-E280 PolarHBondContact O-N 3.49Å
281K79Confident78.7Confident132 Ų132101.2 Ų101.257%0.57451%0.51SS*.Hα-helixtrans-72.5-32.4178-76.2176.2-173.9173.40113.9E277 I278 L279E277-K281 WeakPolarHBondContact O-CB 3.21Å; E277-K281 VanDerWaalsContact O-CG 3.32Å; E277-K281 WeakPolarHBondContact O-CG 2.98Å; E277-K281 PolarHBondContact O-N 3.04Å; E277-K281 WeakPolarHBondContact OE1-CE 3.36Å; E277-K281 IonicContact OE1-NZ 2.64Å; E277-K281 PolarHBondContact OE1-NZ 2.86Å; I278-K281 PolarHBondContact O-N 3.09Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.04Å
282Y76.8Confident77.9Confident195 Ų195100.6 Ų100.677%0.76551%0.513SS*.Hα-helixtrans-109.3-9.4-171.5-68.5-76.4000114.4I278 L279I278-Y282 HydrophobicContact CG2-CD2 3.75Å; I278-Y282 HydrophobicContact CG2-CE2 4.1Å; I278-Y282 VanDerWaalsContact O-CD2 3.23Å; I278-Y282 WeakPolarHBondContact O-CD2 3.28Å; I278-Y282 PolarHBondContact O-N 3.25Å; L279-Y282 PolarHBondContact O-N 3.45Å
283M71.1Confident77.4Confident57 Ų57103.8 Ų103.828%0.28152%0.518SS..SBendtrans-90.9112.8170-65.8-151.5142.600110.3L279 L287 L288L279-M283 HydrophobicContact CD2-CE 4.33Å; L279-M283 HydrophobicContact CD2-CG 4.47Å; L279-M283 HydrophobicContact CD2-SD 4.4Å; L279-M283 WeakPolarHBondContact O-CB 3.5Å; L279-M283 VanDerWaalsContact O-CG 3.27Å; L279-M283 WeakPolarHBondContact O-CG 3.34Å; L279-M283 PolarHBondContact O-N 3.44Å; M283-L287 HydrophobicContact CE-CD2 3.39Å; M283-L287 HydrophobicContact CG-CD2 4.29Å; M283-L287 HydrophobicContact SD-CD2 3.66Å; M283-L288 HydrophobicContact CB-CD1 4.2Å; M283-L288 HydrophobicContact CB-CD2 4.47Å; M283-L288 HydrophobicContact CB-CG 3.97Å; M283-L288 HydrophobicContact SD-CD2 4.08Å; M283-L288 HydrophobicContact SD-CG 4.43Å
284S68.9Low76.8Confident72 Ų72100.6 Ų100.650%0.50351%0.508SS..  trans-54.2140.4167.150.70000110.1D286 L287 L288S284-D286 PolarHBondContact O-N 3.19Å; S284-L287 PolarHBondContact O-N 2.93Å; S284-L287 WeakPolarHBondContact OG-CB 3.14Å; S284-L288 PolarHBondContact O-N 2.91Å
285S68.1Low76.3Confident89 Ų8995 Ų9562%0.62249%0.492SS*.Hα-helixtrans-46.8-35.9177.653.20000113.3L287 A289S285-L287 PolarHBondContact O-N 3.17Å; S285-A289 PolarHBondContact O-N 3.41Å; S285-A289 VanDerWaalsContact O-N 3.1Å
286D70Confident75.7Confident127 Ų12796.2 Ų96.268%0.67950%0.5SS*.Hα-helixtrans-69.3-31.9-179.3-66.1-1.4000112.7S284 S290S284-D286 PolarHBondContact O-N 3.19Å; D286-S290 WeakPolarHBondContact O-CB 3.18Å; D286-S290 PolarHBondContact O-N 2.73Å
287L69.4Low75.4Confident75 Ų7594.8 Ų94.839%0.39350%0.503SS..Hα-helixtrans-77.8-37.9179.9-168.6139.1000111.1M283 S284 S285 S290 M291M283-L287 HydrophobicContact CE-CD2 3.39Å; M283-L287 HydrophobicContact CG-CD2 4.29Å; M283-L287 HydrophobicContact SD-CD2 3.66Å; S284-L287 PolarHBondContact O-N 2.93Å; S284-L287 WeakPolarHBondContact OG-CB 3.14Å; S285-L287 PolarHBondContact O-N 3.17Å; L287-S290 WeakPolarHBondContact CA-OG 3.32Å; L287-S290 PolarHBondContact O-N 3.11Å; L287-S290 PolarHBondContact O-OG 3.41Å; L287-M291 VanDerWaalsContact O-CB 3.3Å; L287-M291 WeakPolarHBondContact O-CB 3.45Å; L287-M291 PolarHBondContact O-N 3.5Å
288L67.7Low74.7Confident85 Ų8597.3 Ų97.345%0.44552%0.519SS..Hα-helixtrans-62.1-42.8171.2-78.5166.4000111.8M283 S284 M291 A292M283-L288 HydrophobicContact CB-CD1 4.2Å; M283-L288 HydrophobicContact CB-CD2 4.47Å; M283-L288 HydrophobicContact CB-CG 3.97Å; M283-L288 HydrophobicContact SD-CD2 4.08Å; M283-L288 HydrophobicContact SD-CG 4.43Å; S284-L288 PolarHBondContact O-N 2.91Å; L288-M291 PolarHBondContact O-N 2.74Å; L288-A292 WeakPolarHBondContact O-CB 3.33Å; L288-A292 PolarHBondContact O-N 3.4Å
289A73.6Confident73.7Confident47 Ų4796.4 Ų96.439%0.38853%0.529SS..Hα-helixtrans-64-42.5175.500000111.9S285 Q293S285-A289 PolarHBondContact O-N 3.41Å; S285-A289 VanDerWaalsContact O-N 3.1Å; A289-Q293 WeakPolarHBondContact O-CB 2.97Å; A289-Q293 VanDerWaalsContact O-CG 3.29Å; A289-Q293 WeakPolarHBondContact O-CG 3.43Å; A289-Q293 PolarHBondContact O-N 3.16Å
290S75.6Confident72.7Confident55 Ų5598.7 Ų98.739%0.38554%0.535SS..Hα-helixtrans-64.9-40.1175.7770000112.1D286 L287 Q293 T294D286-S290 WeakPolarHBondContact O-CB 3.18Å; D286-S290 PolarHBondContact O-N 2.73Å; L287-S290 WeakPolarHBondContact CA-OG 3.32Å; L287-S290 PolarHBondContact O-N 3.11Å; L287-S290 PolarHBondContact O-OG 3.41Å; S290-Q293 PolarHBondContact O-N 3.11Å; S290-T294 WeakPolarHBondContact O-CB 3.47Å; S290-T294 VanDerWaalsContact O-CG2 3.23Å; S290-T294 WeakPolarHBondContact O-CG2 3.48Å; S290-T294 PolarHBondContact O-N 3.14Å; S290-T294 PolarHBondContact O-OG1 2.94Å; S290-T294 VanDerWaalsContact O-OG1 3.1Å
291M74.4Confident71.6Confident115 Ų115101 Ų10157%0.56755%0.546SS*.Hα-helixtrans-69-41-178.7-171.6162.7171.100111.3L287 L288 T294 G295L287-M291 VanDerWaalsContact O-CB 3.3Å; L287-M291 WeakPolarHBondContact O-CB 3.45Å; L287-M291 PolarHBondContact O-N 3.5Å; L288-M291 PolarHBondContact O-N 2.74Å; M291-T294 VanDerWaalsContact CA-OG1 3.28Å; M291-T294 WeakPolarHBondContact CA-OG1 3.43Å; M291-T294 PolarHBondContact O-N 3.34Å; M291-T294 PolarHBondContact O-OG1 3.39Å; M291-G295 PolarHBondContact O-N 2.62Å
292A75.4Confident70.3Confident64 Ų64101.6 Ų101.653%0.52956%0.555SS.*Hα-helixtrans-61.6-47.2173.500000111.8L288 T294 G295 E296L288-A292 WeakPolarHBondContact O-CB 3.33Å; L288-A292 PolarHBondContact O-N 3.4Å; A292-T294 VanDerWaalsContact C-N 3.35Å; A292-T294 PolarHBondContact O-N 3.03Å; A292-G295 PolarHBondContact O-N 3.31Å; A292-E296 WeakPolarHBondContact O-CB 3.4Å; A292-E296 PolarHBondContact O-N 3.41Å
293Q78.6Confident68.6Low123 Ų12397.3 Ų97.358%0.57555%0.553SS**Hα-helixtrans-63.2-39.5175.8-72173.612.900112.2A289 S290 I297A289-Q293 WeakPolarHBondContact O-CB 2.97Å; A289-Q293 VanDerWaalsContact O-CG 3.29Å; A289-Q293 WeakPolarHBondContact O-CG 3.43Å; A289-Q293 PolarHBondContact O-N 3.16Å; S290-Q293 PolarHBondContact O-N 3.11Å; Q293-I297 WeakPolarHBondContact O-CB 3.19Å; Q293-I297 WeakPolarHBondContact O-CD1 3.44Å; Q293-I297 VanDerWaalsContact O-CG1 3.26Å; Q293-I297 WeakPolarHBondContact O-CG1 3.2Å; Q293-I297 PolarHBondContact O-N 3.05Å
294T77.5Confident67.4Low70 Ų70101.5 Ų101.543%0.42958%0.577SS.*Hα-helixtrans-69.4-35.2176.256.90000112.4S290 M291 A292 I297 L298S290-T294 WeakPolarHBondContact O-CB 3.47Å; S290-T294 VanDerWaalsContact O-CG2 3.23Å; S290-T294 WeakPolarHBondContact O-CG2 3.48Å; S290-T294 PolarHBondContact O-N 3.14Å; S290-T294 PolarHBondContact O-OG1 2.94Å; S290-T294 VanDerWaalsContact O-OG1 3.1Å; M291-T294 VanDerWaalsContact CA-OG1 3.28Å; M291-T294 WeakPolarHBondContact CA-OG1 3.43Å; M291-T294 PolarHBondContact O-N 3.34Å; M291-T294 PolarHBondContact O-OG1 3.39Å; A292-T294 VanDerWaalsContact C-N 3.35Å; A292-T294 PolarHBondContact O-N 3.03Å; T294-I297 PolarHBondContact O-N 3.49Å; T294-L298 VanDerWaalsContact O-CB 3.29Å; T294-L298 WeakPolarHBondContact O-CB 3.47Å; T294-L298 PolarHBondContact O-N 2.97Å
295G77.2Confident65.9Low15 Ų15106.1 Ų106.116%0.15559%0.591CS.*Hα-helixtrans-65.6-42.9175.500000111.7M291 A292 I297 L298 G299 F300M291-G295 PolarHBondContact O-N 2.62Å; A292-G295 PolarHBondContact O-N 3.31Å; G295-I297 VanDerWaalsContact C-N 3.35Å; G295-I297 PolarHBondContact O-N 3.49Å; G295-L298 PolarHBondContact O-N 3Å; G295-G299 PolarHBondContact O-N 3.23Å; G295-G299 VanDerWaalsContact O-N 3.16Å; G295-F300 CarbonylContact O-C 3.6Å; G295-F300 PolarHBondContact O-N 2.9Å
296E77.5Confident64.4Low159 Ų159105.5 Ų105.574%0.74359%0.591SS**Hα-helixtrans-62.2-39.8174.5-167.1175-172.700111.9A292A292-E296 WeakPolarHBondContact O-CB 3.4Å; A292-E296 PolarHBondContact O-N 3.41Å
297I78Confident63Low144 Ų144104.9 Ų104.974%0.73859%0.592SS**Hα-helixtrans-71.7-38176.3-71166.3000112.6Q293 T294 G295 G299Q293-I297 WeakPolarHBondContact O-CB 3.19Å; Q293-I297 WeakPolarHBondContact O-CD1 3.44Å; Q293-I297 VanDerWaalsContact O-CG1 3.26Å; Q293-I297 WeakPolarHBondContact O-CG1 3.2Å; Q293-I297 PolarHBondContact O-N 3.05Å; T294-I297 PolarHBondContact O-N 3.49Å; G295-I297 VanDerWaalsContact C-N 3.35Å; G295-I297 PolarHBondContact O-N 3.49Å; I297-G299 VanDerWaalsContact C-N 3.28Å; I297-G299 PolarHBondContact O-N 3.08Å
298L70.4Confident61.4Low119 Ų119108.1 Ų108.162%0.62361%0.609SS**THydrogen-bonded Turntrans-84.32.4-177.4-88.1149.2000113.7T294 G295 F300T294-L298 VanDerWaalsContact O-CB 3.29Å; T294-L298 WeakPolarHBondContact O-CB 3.47Å; T294-L298 PolarHBondContact O-N 2.97Å; G295-L298 PolarHBondContact O-N 3Å; L298-F300 HydrophobicContact CB-CD2 3.54Å; L298-F300 HydrophobicContact CB-CE2 3.74Å; L298-F300 HydrophobicContact CD2-CE2 4.32Å; L298-F300 HydrophobicContact CG-CE2 4.41Å; L298-F300 PolarHBondContact O-N 3.42Å
299G61Low59.9Low60 Ų60110.2 Ų110.262%0.61962%0.621SS**THydrogen-bonded Turntrans67.120.1-178.900000113.2G295 I297 E301G295-G299 PolarHBondContact O-N 3.23Å; G295-G299 VanDerWaalsContact O-N 3.16Å; I297-G299 VanDerWaalsContact C-N 3.28Å; I297-G299 PolarHBondContact O-N 3.08Å; G299-E301 PolarHBondContact O-N 3.19Å; G299-E301 VanDerWaalsContact O-N 3.11Å
300F59.5Low58.3Low146 Ų146113.6 Ų113.664%0.6464%0.641SS**  trans-83.367.1162.3-61.3-69.9000107.1G295 L298 N302G295-F300 CarbonylContact O-C 3.6Å; G295-F300 PolarHBondContact O-N 2.9Å; L298-F300 HydrophobicContact CB-CD2 3.54Å; L298-F300 HydrophobicContact CB-CE2 3.74Å; L298-F300 HydrophobicContact CD2-CE2 4.32Å; L298-F300 HydrophobicContact CG-CE2 4.41Å; L298-F300 PolarHBondContact O-N 3.42Å; F300-N302 PolarHBondContact O-N 2.86Å
301E53.7Low56.7Low172 Ų172119.6 Ų119.680%0.80466%0.663SS**  trans-58.7124.5158.3-74.7-178.3158.800105.9G299 S303G299-E301 PolarHBondContact O-N 3.19Å; G299-E301 VanDerWaalsContact O-N 3.11Å; E301-S303 PolarHBondContact O-N 2.94Å
302N51.5Low54.8Low145 Ų145122 Ų12278%0.77567%0.671SS**  trans-57.893.6168-70.9-33.4000106.5F300 D304F300-N302 PolarHBondContact O-N 2.86Å; N302-D304 PolarHBondContact O-N 3.41Å
303S42.1Very low53Low104 Ų104124 Ų12473%0.72768%0.68SS**  trans-7256.5161.7660000107.9E301 E305E301-S303 PolarHBondContact O-N 2.94Å; S303-E305 PolarHBondContact O-N 3.48Å
304D45.8Very low51.1Low146 Ų146123.4 Ų123.478%0.78169%0.69SS**  trans-75.170.8145.3-71.2-24.1000104.1N302 A306N302-D304 PolarHBondContact O-N 3.41Å; D304-A306 VanDerWaalsContact C-N 3.33Å; D304-A306 PolarHBondContact O-N 3.27Å
305E37.1Very low49.5Very low169 Ų169127 Ų12779%0.7971%0.705SS**  trans-55.2109.1163.9-91.6-174.7156.900105.6S303 V307S303-E305 PolarHBondContact O-N 3.48Å; E305-V307 PolarHBondContact O-N 3.35Å
306A37Very low47.8Very low75 Ų75131.3 Ų131.362%0.6273%0.73SS**  trans-50.789.6160.100000108.3D304 N308D304-A306 VanDerWaalsContact C-N 3.33Å; D304-A306 PolarHBondContact O-N 3.27Å; A306-N308 PolarHBondContact O-N 3Å
307V40.4Very low46.1Very low115 Ų115130.8 Ų130.870%0.69773%0.731SS**  trans-67.588.3151.9-175.50000104.4E305 D309E305-V307 PolarHBondContact O-N 3.35Å; V307-D309 HydrophobicContact CG1-CB 4.46Å; V307-D309 PolarHBondContact O-N 3.42Å
308N34.8Very low44.5Very low142 Ų142129.6 Ų129.676%0.75973%0.731SS**  trans-62.470.7163-74-42.4000108.4A306 S310A306-N308 PolarHBondContact O-N 3Å; N308-S310 PolarHBondContact O-N 3.19Å
309D37.1Very low43Very low130 Ų130130.9 Ų130.970%0.69574%0.738SS**  trans-81.2102.3156.2-90.2-12.2000106.5V307 H311V307-D309 HydrophobicContact CG1-CB 4.46Å; V307-D309 PolarHBondContact O-N 3.42Å; D309-H311 PolarHBondContact O-N 2.86Å
310S38.8Very low42.2Very low117 Ų117133.2 Ų133.282%0.81875%0.745SS**THydrogen-bonded Turntrans-6752.6-177.158.10000113.4N308N308-S310 PolarHBondContact O-N 3.19Å
311H42.4Very low41.3Very low181 Ų181133.7 Ų133.784%0.83876%0.755SS**THydrogen-bonded Turntrans-135.25.7178-116.2-58.7000115.2D309D309-H311 PolarHBondContact O-N 2.86Å
312F34.9Very low41Very low167 Ų167132.2 Ų132.273%0.73276%0.757SS**  trans-117.671.3178.6-130.5-95.6000110.6Y261Y261-F312 WeakPolarHBondContact OH-CE2 3.43Å; Y261-F312 WeakPolarHBondContact OH-CZ 3.46Å
313S38.8Very low40.7Very low104 Ų104131.8 Ų131.873%0.72776%0.755SS**  trans-116.1130.6165.460.90000109.3
314S37Very low40.8Very low111 Ų111133.8 Ų133.878%0.77676%0.762SS**  trans77.783.6157.8-44.30000117.4
315I43.9Very low40.9Very low145 Ų145133.3 Ų133.374%0.74476%0.759SS**  trans-115.7106.9143.7-56.6175.6000106.9I317I315-I317 PolarHBondContact O-N 3.45Å
316P41.6Very low41.2Very low106 Ų106132.7 Ų132.769%0.68876%0.761SS**  trans-76.2116.6172.330.3-28.3000108.4T318P316-T318 PolarHBondContact O-N 2.97Å
317I42.5Very low41.8Very low148 Ų148136.9 Ų136.976%0.75977%0.773SS**  trans-77109165.2-61.6171.9000106I315 D319I315-I317 PolarHBondContact O-N 3.45Å; I317-D319 PolarHBondContact O-N 3.33Å
318T43.4Very low42.1Very low120 Ų120137.3 Ų137.374%0.73678%0.776SS**  trans-77.7101.8171.852.60000109.1P316 S320P316-T318 PolarHBondContact O-N 2.97Å; T318-S320 PolarHBondContact O-N 2.99Å
319D40.1Very low42.8Very low145 Ų145138.3 Ų138.378%0.77578%0.781SS**  trans-75.991.1162.2-82.5-29.7000108.7I317 N321I317-D319 PolarHBondContact O-N 3.33Å; D319-N321 VanDerWaalsContact C-N 3.31Å; D319-N321 PolarHBondContact O-N 2.74Å; D319-N321 VanDerWaalsContact O-N 3.09Å
320S42.8Very low43.2Very low109 Ų109140.9 Ų140.976%0.76279%0.789SS**  trans-80.582167.960.20000109.4T318T318-S320 PolarHBondContact O-N 2.99Å
321N41.5Very low43.9Very low157 Ų157138.9 Ų138.984%0.8479%0.787SS**  trans-154.876.3165.2-105.3-18.6000109.6D319D319-N321 VanDerWaalsContact C-N 3.31Å; D319-N321 PolarHBondContact O-N 2.74Å; D319-N321 VanDerWaalsContact O-N 3.09Å
322V46.9Very low44.3Very low140 Ų140138.5 Ų138.585%0.84879%0.785SS**  trans-141.5130.6163.6-176.50000110.6
323N45.4Very low45.1Very low137 Ų137138.8 Ų138.873%0.73379%0.786SS**  trans-29.2137.5174.3-75.1-33000117.2D325N323-D325 PolarHBondContact O-N 3.36Å
324V44.2Very low45.8Very low146 Ų146141.9 Ų141.989%0.88579%0.789SS**  trans-77.8101.3159.61790000107.5
325D48.7Very low46.4Very low135 Ų135148.2 Ų148.272%0.72281%0.814SS**  trans-101.1141.4165.8-82.9-43.4000110.3N323N323-D325 PolarHBondContact O-N 3.36Å
326L42.6Very low46.5Very low156 Ų156148.4 Ų148.482%0.81782%0.818SS**  trans-68137.9-173.8-65.7100.8000111.8
327D50Low46.8Very low163 Ų163150.6 Ų150.687%0.87283%0.825SS**  trans-127.7117.2154.1-92.1-32.6000111
328T45.6Very low47Very low124 Ų124150.7 Ų150.776%0.76183%0.828SS**  trans-59.8129.3169.142.60000111.2
329N51.1Low47.2Very low163 Ų163152.5 Ų152.587%0.87283%0.834SS**  trans-114.1102.5164-140.4-15.2000108.4
330E45.3Very low47.7Very low184 Ų184153 Ų15386%0.8684%0.837SS**  trans-67.7125.2166.7-67.7-169.815300109
331G53.4Low48Very low75 Ų75155.9 Ų155.977%0.77384%0.842SS**  trans-14880.7176.500000109.1
332E49.6Very low48.5Very low173 Ų173155.9 Ų155.981%0.80884%0.843SS**  trans-52.4135.4167.6-57.8174.9141.400111.5
333K53.6Low48.6Very low174 Ų174157.1 Ų157.176%0.75784%0.842SS**  162.5116.7115.8-87.8176.7-177.8179.50113.9
334E53.3Low48.8Very low169 Ų169158.8 Ų158.879%0.7985%0.851SS**  trans49.897.7130.2-61.6-179.9153.700119.9
335N48.8Very low49.3Very low243 Ų243159.9 Ų159.9100%1.29985%0.848SS**  -175.70102-95.3-45.1000111.4

Retrieved 335 of 335 residues in 297.1 ms (Link to these results)

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