A0A061IJD8_CRIGR Loading...

RNA transcription, translation and transport factor protein

AlphaFold DB , UniProt , Accession A0A061IJD8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rtraf, Length 244 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.3Low62.7Low212 Ų21290.6 Ų90.6100%1.04443%0.428SS*.  0-29.80-74.6-175.2-172.900113.3R3M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.39Å
2F60.1Low62.5Low37 Ų3797.7 Ų97.716%0.16246%0.46CS..Hα-helixtrans-66.5-25-177-52.6-66.7000115.9R4 K5 L6 C19 Q77 I80 D81 L84F2-R4 VanDerWaalsContact C-N 3.34Å; F2-R4 PolarHBondContact O-N 3.27Å; F2-K5 PolarHBondContact O-N 2.93Å; F2-K5 VanDerWaalsContact O-N 3.09Å; F2-L6 HydrophobicContact CB-CD1 3.67Å; F2-L6 HydrophobicContact CB-CG 4.18Å; F2-L6 WeakPolarHBondContact O-CB 3.48Å; F2-L6 VanDerWaalsContact O-CG 3.31Å; F2-L6 WeakPolarHBondContact O-CG 3.39Å; F2-L6 PolarHBondContact O-N 2.99Å; F2-C19 WeakPolarHBondContact CE2-SG 3.35Å; F2-Q77 HydrophobicContact CZ-CB 4.26Å; F2-I80 HydrophobicContact CD1-CG2 4.1Å; F2-I80 HydrophobicContact CE1-CB 4.4Å; F2-I80 HydrophobicContact CE1-CG2 3.9Å; F2-D81 HydrophobicContact CE1-CB 3.9Å; F2-L84 HydrophobicContact CB-CD1 4.28Å; F2-L84 HydrophobicContact CD1-CD1 3.53Å; F2-L84 HydrophobicContact CE1-CD1 4.33Å; F2-L84 HydrophobicContact CG-CD1 4.32Å
3R59.9Low62.5Low164 Ų16496.4 Ų96.462%0.61946%0.458SS*.Hα-helixtrans-52.3-43.5-173.4-173.5169.3179.6175.51.2114.4M1 T7 P14M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.39Å; R3-T7 WeakPolarHBondContact O-CB 3.46Å; R3-T7 PolarHBondContact O-N 2.84Å; R3-T7 PolarHBondContact O-OG1 3.35Å; R3-P14 HydrophobicContact CG-CB 4.49Å; R3-P14 WeakPolarHBondContact CG-O 3.43Å
4R63.3Low62.3Low221 Ų22192.3 Ų92.383%0.83444%0.443SS*.Hα-helixtrans-68-41.1180-69.3-177.5178.8174-0.7112.4F2 A8F2-R4 VanDerWaalsContact C-N 3.34Å; F2-R4 PolarHBondContact O-N 3.27Å; R4-A8 WeakPolarHBondContact O-CB 3.32Å; R4-A8 PolarHBondContact O-N 3.38Å
5K65.7Low61.7Low62 Ų6290.6 Ų90.627%0.2745%0.451SS..Hα-helixtrans-70.5-39.9177.4-64.8-177.9178.1176.40111F2 A8 L9 D81 L84F2-K5 PolarHBondContact O-N 2.93Å; F2-K5 VanDerWaalsContact O-N 3.09Å; K5-A8 PolarHBondContact O-N 2.93Å; K5-L9 VanDerWaalsContact O-CG 3.29Å; K5-L9 WeakPolarHBondContact O-CG 3.41Å; K5-L9 PolarHBondContact O-N 3.3Å; K5-D81 PolarHBondContact NZ-O 3.15Å; K5-D81 IonicContact NZ-OD1 2.78Å; K5-D81 PolarHBondContact NZ-OD1 3.46Å; K5-D81 IonicContact NZ-OD2 3.99Å; K5-D81 PolarHBondContact NZ-OD2 3.03Å; K5-L84 HydrophobicContact CB-CB 4.28Å; K5-L84 HydrophobicContact CB-CD1 4.37Å; K5-L84 HydrophobicContact CB-CD2 4.36Å; K5-L84 HydrophobicContact CD-CB 3.97Å
6L65.9Low61.5Low1 Ų187.4 Ų87.41%0.00545%0.448CS..Hα-helixtrans-65.8-38.9175.7-70.8168.9000112.7F2 L9 D10 Y11 P14 F17 F28 L84F2-L6 HydrophobicContact CB-CD1 3.67Å; F2-L6 HydrophobicContact CB-CG 4.18Å; F2-L6 WeakPolarHBondContact O-CB 3.48Å; F2-L6 VanDerWaalsContact O-CG 3.31Å; F2-L6 WeakPolarHBondContact O-CG 3.39Å; F2-L6 PolarHBondContact O-N 2.99Å; L6-L9 PolarHBondContact O-N 3Å; L6-D10 PolarHBondContact O-N 3.43Å; L6-Y11 HydrophobicContact CD2-CD1 4.02Å; L6-Y11 HydrophobicContact CD2-CG 4.03Å; L6-Y11 PolarHBondContact O-N 2.8Å; L6-P14 HydrophobicContact CB-CB 3.88Å; L6-F17 HydrophobicContact CD1-CB 3.81Å; L6-F17 HydrophobicContact CD1-CD1 4.02Å; L6-F17 HydrophobicContact CD1-CG 4.16Å; L6-F28 HydrophobicContact CD2-CD2 4.33Å; L6-F28 HydrophobicContact CD2-CE2 3.27Å; L6-F28 HydrophobicContact CD2-CZ 3.57Å; L6-L84 HydrophobicContact CD2-CD2 3.95Å; L6-L84 HydrophobicContact CG-CD2 4.44Å
7T61.3Low61.7Low69 Ų6983.8 Ų83.842%0.42343%0.428SS..Hα-helixtrans-66.3-39.1172.4-610000111.5R3 L9 D10R3-T7 WeakPolarHBondContact O-CB 3.46Å; R3-T7 PolarHBondContact O-N 2.84Å; R3-T7 PolarHBondContact O-OG1 3.35Å; T7-L9 PolarHBondContact O-N 3.05Å; T7-D10 PolarHBondContact O-N 3.34Å
8A61.7Low61.8Low58 Ų5883.7 Ų83.748%0.47943%0.428SS..Hα-helixtrans-64-31176.300000112.8R4 K5 V88R4-A8 WeakPolarHBondContact O-CB 3.32Å; R4-A8 PolarHBondContact O-N 3.38Å; K5-A8 PolarHBondContact O-N 2.93Å; A8-V88 HydrophobicContact CB-CG2 4.48Å
9L66.1Low61.8Low1 Ų179.9 Ų79.91%0.00541%0.41CS..THydrogen-bonded Turntrans-89.52178-61.6175.4000113.6K5 L6 T7 Y11 W31 K36 L84 A87 V88 E91K5-L9 VanDerWaalsContact O-CG 3.29Å; K5-L9 WeakPolarHBondContact O-CG 3.41Å; K5-L9 PolarHBondContact O-N 3.3Å; L6-L9 PolarHBondContact O-N 3Å; T7-L9 PolarHBondContact O-N 3.05Å; L9-Y11 PolarHBondContact O-N 3.2Å; L9-W31 HydrophobicContact CB-CH2 3.9Å; L9-W31 HydrophobicContact CB-CZ3 4.38Å; L9-W31 WeakPolarHBondContact O-CH2 3.23Å; L9-K36 HydrophobicContact CD2-CD 4.09Å; L9-K36 HydrophobicContact CD2-CG 4.2Å; L9-K36 WeakPolarHBondContact O-CE 3.43Å; L9-K36 PolarHBondContact O-NZ 3.15Å; L9-K36 VanDerWaalsContact O-NZ 3.07Å; L9-L84 HydrophobicContact CD1-CD2 3.31Å; L9-A87 HydrophobicContact CD1-CB 3.86Å; L9-A87 HydrophobicContact CD2-CB 3.9Å; L9-V88 HydrophobicContact CD1-CG2 4.31Å; L9-V88 HydrophobicContact CD2-CB 4.45Å; L9-V88 HydrophobicContact CD2-CG2 3.7Å; L9-V88 HydrophobicContact CG-CG2 3.89Å; L9-E91 WeakPolarHBondContact CD2-OE2 3.23Å
10D64.1Low61.8Low134 Ų13484.5 Ų84.572%0.71743%0.427SS*.THydrogen-bonded Turntrans56.544.6-177.2-154.714.5000114L6 T7L6-D10 PolarHBondContact O-N 3.43Å; T7-D10 PolarHBondContact O-N 3.34Å
11Y68.2Low62.3Low38 Ų3883.5 Ų83.515%0.14942%0.423CS..  trans-74.2135.7177.3-171.7-112.7000111.5L6 L9 N13 P14 F17 F28 W31L6-Y11 HydrophobicContact CD2-CD1 4.02Å; L6-Y11 HydrophobicContact CD2-CG 4.03Å; L6-Y11 PolarHBondContact O-N 2.8Å; L9-Y11 PolarHBondContact O-N 3.2Å; Y11-N13 HydrophobicContact CE1-CB 4.5Å; Y11-N13 PolarHBondContact O-N 3.05Å; Y11-P14 VanDerWaalsContact O-CD 3.27Å; Y11-P14 WeakPolarHBondContact O-CD 3.44Å; Y11-F17 HydrophobicContact CE1-CD2 4.39Å; Y11-F28 HydrophobicContact CD2-CD2 4.12Å; Y11-F28 HydrophobicContact CD2-CE2 4.05Å; Y11-F28 HydrophobicContact CE1-CD2 4.18Å; Y11-F28 AromaticContact CE2-CD2 3.63Å; Y11-F28 HydrophobicContact CE2-CD2 3.63Å; Y11-F28 HydrophobicContact CE2-CE2 4.05Å; Y11-F28 HydrophobicContact CG-CE2 4.31Å; Y11-F28 AromaticContact CZ-CD2 3.66Å; Y11-W31 AromaticContact CD2-CD2 3.58Å; Y11-W31 HydrophobicContact CD2-CD2 3.58Å; Y11-W31 AromaticContact CD2-CE2 3.71Å; Y11-W31 AromaticContact CD2-CE3 3.54Å; Y11-W31 HydrophobicContact CD2-CE3 3.54Å; Y11-W31 HydrophobicContact CD2-CG 4.28Å; Y11-W31 AromaticContact CD2-CH2 3.77Å; Y11-W31 HydrophobicContact CD2-CH2 3.77Å; Y11-W31 AromaticContact CD2-CZ2 3.82Å; Y11-W31 HydrophobicContact CD2-CZ2 3.82Å; Y11-W31 AromaticContact CD2-CZ3 3.64Å; Y11-W31 HydrophobicContact CD2-CZ3 3.64Å; Y11-W31 HydrophobicContact CE2-CB 4.49Å; Y11-W31 AromaticContact CE2-CD2 3.81Å; Y11-W31 HydrophobicContact CE2-CD2 3.81Å; Y11-W31 AromaticContact CE2-CE3 3.91Å; Y11-W31 HydrophobicContact CE2-CE3 3.91Å; Y11-W31 HydrophobicContact CE2-CG 4.06Å; Y11-W31 HydrophobicContact CE2-CZ3 4.45Å; Y11-W31 HydrophobicContact CG-CH2 4.33Å; Y11-W31 HydrophobicContact CG-CZ3 4.37Å
12H60.6Low63.1Low175 Ų17577.6 Ų77.681%0.8139%0.393SS*.SBendtrans-55.6-23.3-175-68.7-61.9000115.5
13N62.8Low63.7Low81 Ų8179.1 Ų79.143%0.43341%0.405SS..  trans-140.781.2174.1-167.76000113.1Y11 A15 G16Y11-N13 HydrophobicContact CE1-CB 4.5Å; Y11-N13 PolarHBondContact O-N 3.05Å; N13-A15 VanDerWaalsContact C-N 3.3Å; N13-A15 PolarHBondContact O-N 3.48Å; N13-G16 PolarHBondContact OD1-N 3.39Å; N13-G16 VanDerWaalsContact OD1-N 3.11Å
14P58.7Low64.3Low39 Ų3974.6 Ų74.625%0.25339%0.391SS..THydrogen-bonded Turntrans-75.2-16.9-17610.9-1.9000113.7R3 L6 Y11R3-P14 HydrophobicContact CG-CB 4.49Å; R3-P14 WeakPolarHBondContact CG-O 3.43Å; L6-P14 HydrophobicContact CB-CB 3.88Å; Y11-P14 VanDerWaalsContact O-CD 3.27Å; Y11-P14 WeakPolarHBondContact O-CD 3.44Å
15A54.1Low64.7Low67 Ų6764.4 Ų64.455%0.55435%0.353SS*.THydrogen-bonded Turntrans-99.1-24.2-176.400000113.7N13N13-A15 VanDerWaalsContact C-N 3.3Å; N13-A15 PolarHBondContact O-N 3.48Å
16G58.7Low65.2Low39 Ų3962.8 Ų62.840%0.40235%0.345SS..THydrogen-bonded Turntrans-104.1-3-176.500000116N13 N18N13-G16 PolarHBondContact OD1-N 3.39Å; N13-G16 VanDerWaalsContact OD1-N 3.11Å; G16-N18 PolarHBondContact O-N 2.87Å; G16-N18 VanDerWaalsContact O-N 3.16Å
17F64.3Low65.6Low26 Ų2666.5 Ų66.511%0.11437%0.365CS..  trans-61.2117.4-176180-113.9000112.4L6 Y11 C19 F28 I80L6-F17 HydrophobicContact CD1-CB 3.81Å; L6-F17 HydrophobicContact CD1-CD1 4.02Å; L6-F17 HydrophobicContact CD1-CG 4.16Å; Y11-F17 HydrophobicContact CE1-CD2 4.39Å; F17-C19 WeakPolarHBondContact CE1-SG 3.49Å; F17-F28 HydrophobicContact CD2-CB 4.45Å; F17-F28 HydrophobicContact CD2-CD2 4.29Å; F17-F28 HydrophobicContact CD2-CG 4.36Å; F17-F28 HydrophobicContact CE1-CD1 4.27Å; F17-F28 HydrophobicContact CE1-CE1 4.48Å; F17-F28 HydrophobicContact CE1-CG 4.4Å; F17-F28 HydrophobicContact CE2-CB 3.47Å; F17-F28 VanDerWaalsContact CE2-CB 3.47Å; F17-F28 HydrophobicContact CE2-CD1 4.08Å; F17-F28 AromaticContact CE2-CD2 3.89Å; F17-F28 HydrophobicContact CE2-CD2 3.89Å; F17-F28 AromaticContact CE2-CG 3.51Å; F17-F28 HydrophobicContact CE2-CG 3.51Å; F17-F28 HydrophobicContact CZ-CB 3.82Å; F17-F28 AromaticContact CZ-CD1 3.58Å; F17-F28 HydrophobicContact CZ-CD1 3.58Å; F17-F28 HydrophobicContact CZ-CD2 4.11Å; F17-F28 HydrophobicContact CZ-CE1 4.22Å; F17-F28 AromaticContact CZ-CG 3.52Å; F17-F28 HydrophobicContact CZ-CG 3.52Å; F17-I80 HydrophobicContact CE1-CD1 4.33Å; F17-I80 HydrophobicContact CE1-CG2 4.28Å; F17-I80 HydrophobicContact CZ-CD1 4.36Å
18N64.6Low66.2Low82 Ų8263.2 Ų63.244%0.43935%0.345SS..  trans-110.4106.7179.4-172.22.3000111.3G16 K20 D21 E24G16-N18 PolarHBondContact O-N 2.87Å; G16-N18 VanDerWaalsContact O-N 3.16Å; N18-K20 PolarHBondContact O-N 3.24Å; N18-K20 WeakPolarHBondContact OD1-CB 3.36Å; N18-K20 PolarHBondContact OD1-N 3.31Å; N18-K20 VanDerWaalsContact OD1-N 3.14Å; N18-D21 PolarHBondContact O-N 2.91Å; N18-E24 PolarHBondContact N-OE2 2.87Å
19C60.6Low66.9Low12 Ų1260.5 Ų60.58%0.08132%0.322CS..THydrogen-bonded Turntrans-63.8-5.7178.1-46.70000114.6F2 F17 Q77 I80F2-C19 WeakPolarHBondContact CE2-SG 3.35Å; F17-C19 WeakPolarHBondContact CE1-SG 3.49Å; C19-Q77 HydrophobicContact CB-CG 4.34Å; C19-I80 HydrophobicContact CB-CD1 3.92Å
20K62.2Low67.4Low171 Ų17161.9 Ų61.974%0.74333%0.33SS*.THydrogen-bonded Turntrans-88.6-21.9178.2-62.4-175.7176.9-1780113.2N18N18-K20 PolarHBondContact O-N 3.24Å; N18-K20 WeakPolarHBondContact OD1-CB 3.36Å; N18-K20 PolarHBondContact OD1-N 3.31Å; N18-K20 VanDerWaalsContact OD1-N 3.14Å
21D72.6Confident68.1Low64 Ų6457.5 Ų57.534%0.34230%0.304SS..  trans-82.3120.1176.2-170.8-17.7000109.4N18 T23 E24 F25N18-D21 PolarHBondContact O-N 2.91Å; D21-T23 VanDerWaalsContact C-N 3.26Å; D21-T23 PolarHBondContact O-N 2.86Å; D21-T23 PolarHBondContact OD1-N 2.91Å; D21-T23 PolarHBondContact OD1-OG1 3.41Å; D21-T23 PolarHBondContact OD2-OG1 3.07Å; D21-E24 HydrophobicContact CB-CB 4.05Å; D21-E24 HydrophobicContact CB-CG 4.02Å; D21-F25 WeakPolarHBondContact O-CB 3.3Å; D21-F25 PolarHBondContact O-N 3.21Å
22E69.9Low68.5Low89 Ų8955.8 Ų55.842%0.41630%0.297SS..Hα-helixtrans-67.1-30-177.6-173.1163.3-15700112R26E22-R26 WeakPolarHBondContact O-CB 3.32Å; E22-R26 WeakPolarHBondContact O-CD 3.18Å; E22-R26 WeakPolarHBondContact O-CG 3.29Å; E22-R26 PolarHBondContact O-N 2.52Å; E22-R26 VanDerWaalsContact O-N 3.07Å; E22-R26 IonicContact OE1-CZ 2.79Å; E22-R26 IonicContact OE1-NE 3.49Å; E22-R26 IonicContact OE1-NH2 2.73Å; E22-R26 PolarHBondContact OE1-NH2 3.03Å
23T72.3Confident69.1Low69 Ų6947.6 Ų47.642%0.42326%0.26SS..Hα-helixtrans-75.6-45.5178.562.70000111.5D21 F25 R26 N27D21-T23 VanDerWaalsContact C-N 3.26Å; D21-T23 PolarHBondContact O-N 2.86Å; D21-T23 PolarHBondContact OD1-N 2.91Å; D21-T23 PolarHBondContact OD1-OG1 3.41Å; D21-T23 PolarHBondContact OD2-OG1 3.07Å; T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 3.45Å; T23-R26 PolarHBondContact O-N 3.49Å; T23-N27 WeakPolarHBondContact O-CB 3.23Å; T23-N27 PolarHBondContact O-N 2.83Å; T23-N27 PolarHBondContact O-ND2 2.79Å
24E72.1Confident69.6Low69 Ų6946.9 Ų46.932%0.32226%0.256SS..Hα-helixtrans-62.9-40.9173.7-66.4-168.716500111.5N18 D21 N27 F28N18-E24 PolarHBondContact N-OE2 2.87Å; D21-E24 HydrophobicContact CB-CB 4.05Å; D21-E24 HydrophobicContact CB-CG 4.02Å; E24-N27 PolarHBondContact O-N 3.41Å; E24-F28 WeakPolarHBondContact O-CB 3.44Å; E24-F28 PolarHBondContact O-N 3.34Å
25F72.7Confident70.1Confident6 Ų649.2 Ų49.23%0.02626%0.263CS..Hα-helixtrans-60.7-50177.1173.8-110.1000112.1D21 T23 N27 F28 I29 W56 F60 I80D21-F25 WeakPolarHBondContact O-CB 3.3Å; D21-F25 PolarHBondContact O-N 3.21Å; T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 3.45Å; F25-N27 PolarHBondContact O-N 2.88Å; F25-F28 WeakPolarHBondContact O-CB 3.43Å; F25-F28 PolarHBondContact O-N 3.29Å; F25-I29 HydrophobicContact CD2-CG1 4.39Å; F25-I29 HydrophobicContact CE1-CG1 4.5Å; F25-I29 HydrophobicContact CE2-CD1 4.09Å; F25-I29 HydrophobicContact CE2-CG1 3.97Å; F25-I29 HydrophobicContact CZ-CD1 4.39Å; F25-I29 HydrophobicContact CZ-CG1 4.04Å; F25-I29 WeakPolarHBondContact O-CG1 3.42Å; F25-I29 PolarHBondContact O-N 2.89Å; F25-W56 HydrophobicContact CD1-CH2 4.05Å; F25-W56 HydrophobicContact CD1-CZ3 4.24Å; F25-W56 AromaticContact CE1-CH2 3.61Å; F25-W56 HydrophobicContact CE1-CH2 3.61Å; F25-W56 AromaticContact CE1-CZ3 3.72Å; F25-W56 HydrophobicContact CE1-CZ3 3.72Å; F25-W56 HydrophobicContact CZ-CH2 4.39Å; F25-F60 HydrophobicContact CE1-CE1 4.45Å; F25-F60 HydrophobicContact CE1-CZ 4.5Å; F25-F60 AromaticContact CZ-CE1 3.95Å; F25-F60 HydrophobicContact CZ-CE1 3.95Å; F25-F60 HydrophobicContact CZ-CE2 4.33Å; F25-F60 AromaticContact CZ-CZ 3.74Å; F25-F60 HydrophobicContact CZ-CZ 3.74Å; F25-I80 HydrophobicContact CD2-CD1 3.51Å; F25-I80 HydrophobicContact CD2-CG1 4.02Å; F25-I80 HydrophobicContact CE2-CD1 3.47Å; F25-I80 VanDerWaalsContact CE2-CD1 3.47Å; F25-I80 HydrophobicContact CE2-CG1 3.52Å
26R75Confident70.9Confident28 Ų2848 Ų4811%0.10625%0.245CC..Hα-helixtrans-63.5-42.9179.1-69.5174.4-174-1511.9111.3E22 T23 F28 I29 V30 I51 S53 W56E22-R26 WeakPolarHBondContact O-CB 3.32Å; E22-R26 WeakPolarHBondContact O-CD 3.18Å; E22-R26 WeakPolarHBondContact O-CG 3.29Å; E22-R26 PolarHBondContact O-N 2.52Å; E22-R26 VanDerWaalsContact O-N 3.07Å; E22-R26 IonicContact OE1-CZ 2.79Å; E22-R26 IonicContact OE1-NE 3.49Å; E22-R26 IonicContact OE1-NH2 2.73Å; E22-R26 PolarHBondContact OE1-NH2 3.03Å; T23-R26 PolarHBondContact O-N 3.49Å; R26-F28 VanDerWaalsContact C-N 3.31Å; R26-F28 PolarHBondContact O-N 2.9Å; R26-I29 PolarHBondContact O-N 3.31Å; R26-V30 WeakPolarHBondContact O-CG2 3.13Å; R26-V30 PolarHBondContact O-N 3.26Å; R26-V30 VanDerWaalsContact O-N 3.15Å; R26-I51 HydrophobicContact CB-CB 4.36Å; R26-I51 HydrophobicContact CB-CG1 4.1Å; R26-I51 HydrophobicContact CB-CG2 3.74Å; R26-I51 VanDerWaalsContact CD-O 3.31Å; R26-I51 WeakPolarHBondContact CD-O 3.42Å; R26-I51 HydrophobicContact CG-CG2 4.43Å; R26-I51 PolarHBondContact NH1-O 3.43Å; R26-S53 PolarHBondContact NH1-O 3.06Å; R26-W56 HydrophobicContact CB-CH2 4.4Å; R26-W56 HydrophobicContact CB-CZ2 3.92Å; R26-W56 HydrophobicContact CG-CD2 3.82Å; R26-W56 HydrophobicContact CG-CE3 3.92Å; R26-W56 HydrophobicContact CG-CH2 3.79Å; R26-W56 HydrophobicContact CG-CZ2 3.66Å; R26-W56 HydrophobicContact CG-CZ3 3.91Å
27N75.6Confident71.6Confident79 Ų7946.9 Ų46.942%0.42223%0.23SC..Hα-helixtrans-60.3-40.4174.1-82.1-44.2000112.4T23 E24 F25 V30 W31 I51T23-N27 WeakPolarHBondContact O-CB 3.23Å; T23-N27 PolarHBondContact O-N 2.83Å; T23-N27 PolarHBondContact O-ND2 2.79Å; E24-N27 PolarHBondContact O-N 3.41Å; F25-N27 PolarHBondContact O-N 2.88Å; N27-V30 PolarHBondContact O-N 3.32Å; N27-W31 WeakPolarHBondContact O-CB 3.34Å; N27-W31 PolarHBondContact O-N 3.38Å; N27-I51 WeakPolarHBondContact OD1-CD1 3.08Å
28F74.4Confident72Confident0 Ų052.8 Ų52.80%025%0.252CS..Hα-helixtrans-66.1-42.8-179.9178.9-102.1000112.5L6 Y11 F17 E24 F25 R26 W31 L32 I80 L84L6-F28 HydrophobicContact CD2-CD2 4.33Å; L6-F28 HydrophobicContact CD2-CE2 3.27Å; L6-F28 HydrophobicContact CD2-CZ 3.57Å; Y11-F28 HydrophobicContact CD2-CD2 4.12Å; Y11-F28 HydrophobicContact CD2-CE2 4.05Å; Y11-F28 HydrophobicContact CE1-CD2 4.18Å; Y11-F28 AromaticContact CE2-CD2 3.63Å; Y11-F28 HydrophobicContact CE2-CD2 3.63Å; Y11-F28 HydrophobicContact CE2-CE2 4.05Å; Y11-F28 HydrophobicContact CG-CE2 4.31Å; Y11-F28 AromaticContact CZ-CD2 3.66Å; F17-F28 HydrophobicContact CD2-CB 4.45Å; F17-F28 HydrophobicContact CD2-CD2 4.29Å; F17-F28 HydrophobicContact CD2-CG 4.36Å; F17-F28 HydrophobicContact CE1-CD1 4.27Å; F17-F28 HydrophobicContact CE1-CE1 4.48Å; F17-F28 HydrophobicContact CE1-CG 4.4Å; F17-F28 HydrophobicContact CE2-CB 3.47Å; F17-F28 VanDerWaalsContact CE2-CB 3.47Å; F17-F28 HydrophobicContact CE2-CD1 4.08Å; F17-F28 AromaticContact CE2-CD2 3.89Å; F17-F28 HydrophobicContact CE2-CD2 3.89Å; F17-F28 AromaticContact CE2-CG 3.51Å; F17-F28 HydrophobicContact CE2-CG 3.51Å; F17-F28 HydrophobicContact CZ-CB 3.82Å; F17-F28 AromaticContact CZ-CD1 3.58Å; F17-F28 HydrophobicContact CZ-CD1 3.58Å; F17-F28 HydrophobicContact CZ-CD2 4.11Å; F17-F28 HydrophobicContact CZ-CE1 4.22Å; F17-F28 AromaticContact CZ-CG 3.52Å; F17-F28 HydrophobicContact CZ-CG 3.52Å; E24-F28 WeakPolarHBondContact O-CB 3.44Å; E24-F28 PolarHBondContact O-N 3.34Å; F25-F28 WeakPolarHBondContact O-CB 3.43Å; F25-F28 PolarHBondContact O-N 3.29Å; R26-F28 VanDerWaalsContact C-N 3.31Å; R26-F28 PolarHBondContact O-N 2.9Å; F28-W31 HydrophobicContact CD2-CE3 4.43Å; F28-W31 HydrophobicContact CE2-CE3 4.1Å; F28-W31 HydrophobicContact CE2-CZ3 4.17Å; F28-W31 PolarHBondContact O-N 3.36Å; F28-L32 HydrophobicContact CE1-CD1 3.7Å; F28-L32 HydrophobicContact CZ-CD1 3.57Å; F28-L32 VanDerWaalsContact O-CB 3.3Å; F28-L32 WeakPolarHBondContact O-CB 3.43Å; F28-L32 PolarHBondContact O-N 3.32Å; F28-I80 HydrophobicContact CE1-CG2 3.96Å; F28-L84 HydrophobicContact CE1-CD2 4.42Å; F28-L84 HydrophobicContact CE1-CG 4.42Å; F28-L84 HydrophobicContact CZ-CD2 3.66Å; F28-L84 HydrophobicContact CZ-CG 4.12Å
29I75.8Confident72.1Confident1 Ų154.2 Ų54.21%0.00526%0.255CS..Hα-helixtrans-63.3-41.8175.5-64.4-57.5000111.3F25 R26 W31 L32 E33 W56 F60 L83F25-I29 HydrophobicContact CD2-CG1 4.39Å; F25-I29 HydrophobicContact CE1-CG1 4.5Å; F25-I29 HydrophobicContact CE2-CD1 4.09Å; F25-I29 HydrophobicContact CE2-CG1 3.97Å; F25-I29 HydrophobicContact CZ-CD1 4.39Å; F25-I29 HydrophobicContact CZ-CG1 4.04Å; F25-I29 WeakPolarHBondContact O-CG1 3.42Å; F25-I29 PolarHBondContact O-N 2.89Å; R26-I29 PolarHBondContact O-N 3.31Å; I29-W31 VanDerWaalsContact C-N 3.35Å; I29-W31 PolarHBondContact O-N 3.22Å; I29-L32 PolarHBondContact O-N 2.87Å; I29-E33 WeakPolarHBondContact O-CB 3.31Å; I29-E33 PolarHBondContact O-N 3.27Å; I29-W56 HydrophobicContact CB-CH2 4.46Å; I29-W56 HydrophobicContact CB-CZ2 4.24Å; I29-W56 HydrophobicContact CG1-CH2 4.3Å; I29-W56 HydrophobicContact CG2-CZ2 4.3Å; I29-F60 HydrophobicContact CB-CE2 4.47Å; I29-F60 HydrophobicContact CD1-CE2 3.85Å; I29-F60 HydrophobicContact CD1-CZ 4.28Å; I29-F60 HydrophobicContact CG1-CE2 3.82Å; I29-F60 HydrophobicContact CG1-CZ 4.45Å; I29-F60 HydrophobicContact CG2-CD2 4.01Å; I29-F60 HydrophobicContact CG2-CE2 3.84Å; I29-L83 HydrophobicContact CD1-CD1 3.7Å
30V77.3Confident72.2Confident30 Ų3055 Ų5518%0.18226%0.257CS..Hα-helixtrans-60.8-45.3175.6172.60000111.1R26 N27 E33 D34 L48 R49R26-V30 WeakPolarHBondContact O-CG2 3.13Å; R26-V30 PolarHBondContact O-N 3.26Å; R26-V30 VanDerWaalsContact O-N 3.15Å; N27-V30 PolarHBondContact O-N 3.32Å; V30-E33 PolarHBondContact O-N 3.49Å; V30-D34 VanDerWaalsContact O-CB 3.24Å; V30-D34 WeakPolarHBondContact O-CB 3.2Å; V30-D34 PolarHBondContact O-N 2.69Å; V30-L48 WeakPolarHBondContact CG2-O 3.27Å; V30-R49 HydrophobicContact CG1-CG 4.31Å
31W78.1Confident72Confident43 Ų4354.8 Ų54.816%0.16326%0.256CS..Hα-helixtrans-62.8-44.9177.2175.987.5000112L9 Y11 N27 F28 I29 E33 D34 Q35 K36L9-W31 HydrophobicContact CB-CH2 3.9Å; L9-W31 HydrophobicContact CB-CZ3 4.38Å; L9-W31 WeakPolarHBondContact O-CH2 3.23Å; Y11-W31 AromaticContact CD2-CD2 3.58Å; Y11-W31 HydrophobicContact CD2-CD2 3.58Å; Y11-W31 AromaticContact CD2-CE2 3.71Å; Y11-W31 AromaticContact CD2-CE3 3.54Å; Y11-W31 HydrophobicContact CD2-CE3 3.54Å; Y11-W31 HydrophobicContact CD2-CG 4.28Å; Y11-W31 AromaticContact CD2-CH2 3.77Å; Y11-W31 HydrophobicContact CD2-CH2 3.77Å; Y11-W31 AromaticContact CD2-CZ2 3.82Å; Y11-W31 HydrophobicContact CD2-CZ2 3.82Å; Y11-W31 AromaticContact CD2-CZ3 3.64Å; Y11-W31 HydrophobicContact CD2-CZ3 3.64Å; Y11-W31 HydrophobicContact CE2-CB 4.49Å; Y11-W31 AromaticContact CE2-CD2 3.81Å; Y11-W31 HydrophobicContact CE2-CD2 3.81Å; Y11-W31 AromaticContact CE2-CE3 3.91Å; Y11-W31 HydrophobicContact CE2-CE3 3.91Å; Y11-W31 HydrophobicContact CE2-CG 4.06Å; Y11-W31 HydrophobicContact CE2-CZ3 4.45Å; Y11-W31 HydrophobicContact CG-CH2 4.33Å; Y11-W31 HydrophobicContact CG-CZ3 4.37Å; N27-W31 WeakPolarHBondContact O-CB 3.34Å; N27-W31 PolarHBondContact O-N 3.38Å; F28-W31 HydrophobicContact CD2-CE3 4.43Å; F28-W31 HydrophobicContact CE2-CE3 4.1Å; F28-W31 HydrophobicContact CE2-CZ3 4.17Å; F28-W31 PolarHBondContact O-N 3.36Å; I29-W31 VanDerWaalsContact C-N 3.35Å; I29-W31 PolarHBondContact O-N 3.22Å; W31-E33 VanDerWaalsContact C-N 3.31Å; W31-E33 PolarHBondContact O-N 3.31Å; W31-D34 PolarHBondContact O-N 2.97Å; W31-Q35 HydrophobicContact CG-CG 4.42Å; W31-Q35 VanDerWaalsContact O-CB 3.32Å; W31-Q35 WeakPolarHBondContact O-CB 3.33Å; W31-Q35 PolarHBondContact O-N 3.21Å; W31-K36 HydrophobicContact CH2-CG 4.41Å
32L75.8Confident71.3Confident1 Ų158.5 Ų58.51%0.00527%0.274CS..Hα-helixtrans-65.5-37.1-177.7-166.4142.7000111.2F28 I29 K36 I37 L83 L84 A87F28-L32 HydrophobicContact CE1-CD1 3.7Å; F28-L32 HydrophobicContact CZ-CD1 3.57Å; F28-L32 VanDerWaalsContact O-CB 3.3Å; F28-L32 WeakPolarHBondContact O-CB 3.43Å; F28-L32 PolarHBondContact O-N 3.32Å; I29-L32 PolarHBondContact O-N 2.87Å; L32-K36 WeakPolarHBondContact O-CA 3.45Å; L32-K36 PolarHBondContact O-N 2.57Å; L32-I37 HydrophobicContact CD2-CB 4.49Å; L32-I37 HydrophobicContact CD2-CD1 3.17Å; L32-I37 HydrophobicContact CD2-CG1 3.57Å; L32-I37 PolarHBondContact O-N 2.82Å; L32-L83 HydrophobicContact CD2-CB 4.17Å; L32-L84 HydrophobicContact CD1-CD2 3.98Å; L32-L84 HydrophobicContact CD1-CG 4.29Å; L32-A87 HydrophobicContact CD1-CB 4.35Å; L32-A87 HydrophobicContact CD2-CB 4.25Å; L32-A87 HydrophobicContact CG-CB 4.23Å
33E74.7Confident70.9Confident4 Ų462.5 Ų62.52%0.01929%0.293CS..Iπ-helixtrans-70.8-42.4172.6179.956.4-167.100112.8I29 V30 W31 I37 R38 H39 Y40 Y63I29-E33 WeakPolarHBondContact O-CB 3.31Å; I29-E33 PolarHBondContact O-N 3.27Å; V30-E33 PolarHBondContact O-N 3.49Å; W31-E33 VanDerWaalsContact C-N 3.31Å; W31-E33 PolarHBondContact O-N 3.31Å; E33-I37 WeakPolarHBondContact OE2-CB 3.16Å; E33-I37 VanDerWaalsContact OE2-CG2 3.24Å; E33-I37 WeakPolarHBondContact OE2-CG2 3.45Å; E33-R38 WeakPolarHBondContact O-CA 3.32Å; E33-R38 PolarHBondContact O-N 3.49Å; E33-H39 PolarHBondContact OE1-N 2.97Å; E33-Y40 PolarHBondContact OE1-N 2.73Å; E33-Y63 HydrophobicContact CB-CE2 4.34Å; E33-Y63 VanDerWaalsContact CD-CE2 3.48Å; E33-Y63 HydrophobicContact CG-CE2 3.97Å; E33-Y63 WeakPolarHBondContact OE2-CE2 3.43Å; E33-Y63 VanDerWaalsContact OE2-CZ 3.28Å; E33-Y63 PolarHBondContact OE2-OH 3.03Å
34D72.7Confident70.4Confident66 Ų6663.1 Ų63.135%0.35329%0.294SS..Iπ-helixtrans-72.4-37.2-176.1-16855.4000112.8V30 W31 R38 R45V30-D34 VanDerWaalsContact O-CB 3.24Å; V30-D34 WeakPolarHBondContact O-CB 3.2Å; V30-D34 PolarHBondContact O-N 2.69Å; W31-D34 PolarHBondContact O-N 2.97Å; D34-R38 WeakPolarHBondContact O-CG 3.19Å; D34-R38 PolarHBondContact O-NE 3.04Å; D34-R45 IonicContact OD1-CZ 2.69Å; D34-R45 IonicContact OD1-NH1 3.58Å; D34-R45 PolarHBondContact OD1-NH1 3.06Å
35Q68.3Low70Confident87 Ų8762.2 Ų62.241%0.40729%0.287SS..Iπ-helixtrans-99.5-35.5-172-63.4-60.1-49.700114W31W31-Q35 HydrophobicContact CG-CG 4.42Å; W31-Q35 VanDerWaalsContact O-CB 3.32Å; W31-Q35 WeakPolarHBondContact O-CB 3.33Å; W31-Q35 PolarHBondContact O-N 3.21Å
36K71.1Confident69.5Low42 Ų4263.9 Ų63.918%0.18331%0.306CS..Iπ-helixtrans-117.6-51.5-168.8-58.4-66.1179.2165.20114.3L9 W31 L32 A87 E91L9-K36 HydrophobicContact CD2-CD 4.09Å; L9-K36 HydrophobicContact CD2-CG 4.2Å; L9-K36 WeakPolarHBondContact O-CE 3.43Å; L9-K36 PolarHBondContact O-NZ 3.15Å; L9-K36 VanDerWaalsContact O-NZ 3.07Å; W31-K36 HydrophobicContact CH2-CG 4.41Å; L32-K36 WeakPolarHBondContact O-CA 3.45Å; L32-K36 PolarHBondContact O-N 2.57Å; K36-A87 HydrophobicContact CB-CB 3.86Å; K36-E91 IonicContact NZ-OE1 2.78Å; K36-E91 PolarHBondContact NZ-OE1 2.88Å; K36-E91 IonicContact NZ-OE2 2.88Å; K36-E91 PolarHBondContact NZ-OE2 3.16Å
37I73.9Confident69Low16 Ų1666 Ų668%0.08232%0.32CS..Iπ-helixtrans-82.3-44.9-175-67.6-174.5000112.1L32 E33 H39 L83 L86 A87 L90L32-I37 HydrophobicContact CD2-CB 4.49Å; L32-I37 HydrophobicContact CD2-CD1 3.17Å; L32-I37 HydrophobicContact CD2-CG1 3.57Å; L32-I37 PolarHBondContact O-N 2.82Å; E33-I37 WeakPolarHBondContact OE2-CB 3.16Å; E33-I37 VanDerWaalsContact OE2-CG2 3.24Å; E33-I37 WeakPolarHBondContact OE2-CG2 3.45Å; I37-H39 HydrophobicContact CG2-CB 3.74Å; I37-H39 PolarHBondContact O-N 3.21Å; I37-L83 HydrophobicContact CD1-CD2 3.84Å; I37-L86 HydrophobicContact CD1-CD2 4.04Å; I37-L86 HydrophobicContact CD1-CG 4.49Å; I37-A87 HydrophobicContact CG1-CB 4.28Å; I37-L90 HydrophobicContact CB-CD1 4.42Å; I37-L90 HydrophobicContact CG1-CD1 4.21Å; I37-L90 HydrophobicContact CG2-CD1 4.48Å
38R71.8Confident68.6Low150 Ų15062.7 Ų62.757%0.56630%0.302SS*.  trans47.133.4177.2-62.9-179.3175.7172.16.1114.7E33 D34E33-R38 WeakPolarHBondContact O-CA 3.32Å; E33-R38 PolarHBondContact O-N 3.49Å; D34-R38 WeakPolarHBondContact O-CG 3.19Å; D34-R38 PolarHBondContact O-NE 3.04Å
39H66.6Low68.1Low111 Ų11171.7 Ų71.751%0.51434%0.336SS..  trans-71.6-35.4-175.9-166.772.5000111.9E33 I37E33-H39 PolarHBondContact OE1-N 2.97Å; I37-H39 HydrophobicContact CG2-CB 3.74Å; I37-H39 PolarHBondContact O-N 3.21Å
40Y63.6Low67.7Low30 Ų3075.7 Ų75.712%0.11836%0.357CS..SBendtrans-89.6142.1177.2-73.6-83.3000112.6E33 D44 R45 Y63 D66E33-Y40 PolarHBondContact OE1-N 2.73Å; Y40-D44 HydrophobicContact CD1-CB 3.55Å; Y40-D44 HydrophobicContact CE1-CB 4.41Å; Y40-D44 HydrophobicContact CG-CB 4.16Å; Y40-R45 PolarHBondContact O-NE 3.13Å; Y40-R45 PolarHBondContact O-NH2 2.93Å; Y40-R45 VanDerWaalsContact O-NH2 3.07Å; Y40-Y63 AromaticContact CD2-CD2 3.64Å; Y40-Y63 HydrophobicContact CD2-CD2 3.64Å; Y40-Y63 AromaticContact CD2-CE2 3.75Å; Y40-Y63 HydrophobicContact CD2-CE2 3.75Å; Y40-Y63 AromaticContact CE2-CD2 3.18Å; Y40-Y63 HydrophobicContact CE2-CD2 3.18Å; Y40-Y63 AromaticContact CE2-CE2 3.68Å; Y40-Y63 HydrophobicContact CE2-CE2 3.68Å; Y40-Y63 HydrophobicContact CE2-CG 4.18Å; Y40-Y63 WeakPolarHBondContact OH-CA 3.1Å; Y40-D66 VanDerWaalsContact OH-CB 3.32Å; Y40-D66 WeakPolarHBondContact OH-CB 3.18Å; Y40-D66 VanDerWaalsContact OH-CG 3.25Å; Y40-D66 PolarHBondContact OH-OD2 3.17Å
41K58.1Low67.2Low166 Ų16675.7 Ų75.772%0.72236%0.356SS*.  trans-64.6153.5167.2-68.9-178.1-179.8178.20109.7E43 D44 R45K41-E43 PolarHBondContact O-N 2.69Å; K41-D44 PolarHBondContact O-N 3.19Å; K41-R45 PolarHBondContact O-N 3.39Å
42I58.2Low66.4Low142 Ų14281.6 Ų81.673%0.72839%0.385SS*.THydrogen-bonded Turntrans-51.4-30.7-173.5-66161.4000112.7
43E60.1Low66Low173 Ų17383 Ų8381%0.80840%0.395SS*.THydrogen-bonded Turntrans-69-42.1179.1-63.1172-167.200112.9K41 R45K41-E43 PolarHBondContact O-N 2.69Å; E43-R45 VanDerWaalsContact C-N 3.33Å
44D62.2Low65.7Low81 Ų8188.1 Ų88.143%0.43343%0.431SS..THydrogen-bonded Turntrans-79-18.5179.9-71-47000112.8Y40 K41 G46 N47Y40-D44 HydrophobicContact CD1-CB 3.55Å; Y40-D44 HydrophobicContact CE1-CB 4.41Å; Y40-D44 HydrophobicContact CG-CB 4.16Å; K41-D44 PolarHBondContact O-N 3.19Å; D44-G46 PolarHBondContact O-N 3.13Å; D44-N47 PolarHBondContact O-N 3.43Å
45R65.2Low65.7Low50 Ų5088.1 Ų88.119%0.18943%0.431CS..Hα-helixtrans-65.7-23.2175.4-65.3-177.5-167.1-1751.5113D34 Y40 K41 E43 N47 L48 R49D34-R45 IonicContact OD1-CZ 2.69Å; D34-R45 IonicContact OD1-NH1 3.58Å; D34-R45 PolarHBondContact OD1-NH1 3.06Å; Y40-R45 PolarHBondContact O-NE 3.13Å; Y40-R45 PolarHBondContact O-NH2 2.93Å; Y40-R45 VanDerWaalsContact O-NH2 3.07Å; K41-R45 PolarHBondContact O-N 3.39Å; E43-R45 VanDerWaalsContact C-N 3.33Å; R45-N47 PolarHBondContact O-N 3.43Å; R45-L48 PolarHBondContact O-N 3.41Å; R45-R49 WeakPolarHBondContact O-CB 3.25Å; R45-R49 PolarHBondContact O-N 2.85Å
46G60.5Low65.9Low41 Ų4184.3 Ų84.342%0.42341%0.413SS..Hα-helixtrans-58.4-34.4-18000000113.2D44 R49 N50D44-G46 PolarHBondContact O-N 3.13Å; G46-R49 PolarHBondContact O-N 3.34Å; G46-N50 PolarHBondContact O-N 3.48Å
47N66Low66.1Low73 Ų7384.6 Ų84.639%0.3942%0.419SS..Hα-helixtrans-71.8-35.5-179.4-63.1-41.2000112.5D44 R45 F59D44-N47 PolarHBondContact O-N 3.43Å; R45-N47 PolarHBondContact O-N 3.43Å; N47-F59 HydrophobicContact CB-CD1 3.86Å; N47-F59 HydrophobicContact CB-CD2 4.32Å; N47-F59 HydrophobicContact CB-CE1 4Å; N47-F59 HydrophobicContact CB-CE2 4.46Å; N47-F59 HydrophobicContact CB-CG 4.03Å; N47-F59 HydrophobicContact CB-CZ 4.3Å
48L65.8Low66.2Low10 Ų1090.4 Ų90.45%0.05244%0.444CS..Hα-helixtrans-79.9-29.6176.8-69.4167000112.2V30 R45 N50 W56 F59 Y63V30-L48 WeakPolarHBondContact CG2-O 3.27Å; R45-L48 PolarHBondContact O-N 3.41Å; L48-N50 VanDerWaalsContact C-N 3.26Å; L48-N50 PolarHBondContact O-N 2.95Å; L48-W56 PolarHBondContact O-NE1 2.92Å; L48-F59 HydrophobicContact CD2-CB 4.3Å; L48-Y63 HydrophobicContact CD1-CD2 3.5Å; L48-Y63 VanDerWaalsContact CD1-CD2 3.5Å; L48-Y63 HydrophobicContact CD1-CE2 4.1Å; L48-Y63 HydrophobicContact CD1-CG 4.15Å
49R64.3Low66.2Low188 Ų18886.7 Ų86.771%0.70943%0.432SS*.Hα-helixtrans-71.1-19.2176.6-161.9171.4-176.5174.72113.1V30 R45 G46 I51V30-R49 HydrophobicContact CG1-CG 4.31Å; R45-R49 WeakPolarHBondContact O-CB 3.25Å; R45-R49 PolarHBondContact O-N 2.85Å; G46-R49 PolarHBondContact O-N 3.34Å; R49-I51 VanDerWaalsContact C-N 3.31Å; R49-I51 PolarHBondContact O-N 2.96Å
50N68.6Low66.5Low85 Ų8581.5 Ų81.546%0.45541%0.408SS..  trans-80.877176.5-164.6-11000111.7G46 L48 H52 S53G46-N50 PolarHBondContact O-N 3.48Å; L48-N50 VanDerWaalsContact C-N 3.26Å; L48-N50 PolarHBondContact O-N 2.95Å; N50-H52 PolarHBondContact O-N 3.33Å; N50-H52 VanDerWaalsContact O-N 3.13Å; N50-S53 PolarHBondContact O-N 3.49Å
51I65.5Low67Low31 Ų3184.7 Ų84.716%0.15942%0.424CS..THydrogen-bonded Turntrans-62-19.2-175.7-64.4145.8000113.1R26 N27 R49R26-I51 HydrophobicContact CB-CB 4.36Å; R26-I51 HydrophobicContact CB-CG1 4.1Å; R26-I51 HydrophobicContact CB-CG2 3.74Å; R26-I51 VanDerWaalsContact CD-O 3.31Å; R26-I51 WeakPolarHBondContact CD-O 3.42Å; R26-I51 HydrophobicContact CG-CG2 4.43Å; R26-I51 PolarHBondContact NH1-O 3.43Å; N27-I51 WeakPolarHBondContact OD1-CD1 3.08Å; R49-I51 VanDerWaalsContact C-N 3.31Å; R49-I51 PolarHBondContact O-N 2.96Å
52H61.9Low68Low167 Ų16782.5 Ų82.577%0.77341%0.414SS*.THydrogen-bonded Turntrans-99.4-1.7-178.7-62.6-64.3000114.2N50N50-H52 PolarHBondContact O-N 3.33Å; N50-H52 VanDerWaalsContact O-N 3.13Å
53S68.2Low68.7Low29 Ų2975.8 Ų75.820%0.20338%0.38CS..  trans-73.1137.1178.8-174.20000111.7R26 N50 D55 W56R26-S53 PolarHBondContact NH1-O 3.06Å; N50-S53 PolarHBondContact O-N 3.49Å; S53-D55 PolarHBondContact O-N 2.98Å; S53-D55 PolarHBondContact OG-N 3.48Å; S53-W56 WeakPolarHBondContact O-CB 3.31Å; S53-W56 PolarHBondContact O-N 2.89Å
54S67.9Low69.4Low112 Ų11267.8 Ų67.878%0.78334%0.343SS*.THydrogen-bonded Turntrans-66.1-21.8173.19.30000112.7P57S54-P57 WeakPolarHBondContact O-CD 3.48Å
55D72.3Confident70Confident66 Ų6672.2 Ų72.235%0.35335%0.353SS..THydrogen-bonded Turntrans-89.1-1.7178.7-70.3-53.6000113.6S53 P57 K58 F59S53-D55 PolarHBondContact O-N 2.98Å; S53-D55 PolarHBondContact OG-N 3.48Å; D55-P57 VanDerWaalsContact C-N 3.33Å; D55-K58 WeakPolarHBondContact O-CB 3.45Å; D55-K58 PolarHBondContact O-N 2.83Å; D55-K58 IonicContact OD1-NZ 2.8Å; D55-K58 PolarHBondContact OD1-NZ 2.78Å; D55-F59 HydrophobicContact CB-CD2 4.15Å; D55-F59 HydrophobicContact CB-CE2 3.75Å; D55-F59 WeakPolarHBondContact O-CD2 3.48Å; D55-F59 PolarHBondContact O-N 2.88Å
56W72.7Confident70.4Confident7 Ų773 Ų733%0.02736%0.361CS..Hα-helixtrans-51.3-41.8179.4-168.194.8000114F25 R26 I29 L48 S53 K58 F59 F60F25-W56 HydrophobicContact CD1-CH2 4.05Å; F25-W56 HydrophobicContact CD1-CZ3 4.24Å; F25-W56 AromaticContact CE1-CH2 3.61Å; F25-W56 HydrophobicContact CE1-CH2 3.61Å; F25-W56 AromaticContact CE1-CZ3 3.72Å; F25-W56 HydrophobicContact CE1-CZ3 3.72Å; F25-W56 HydrophobicContact CZ-CH2 4.39Å; R26-W56 HydrophobicContact CB-CH2 4.4Å; R26-W56 HydrophobicContact CB-CZ2 3.92Å; R26-W56 HydrophobicContact CG-CD2 3.82Å; R26-W56 HydrophobicContact CG-CE3 3.92Å; R26-W56 HydrophobicContact CG-CH2 3.79Å; R26-W56 HydrophobicContact CG-CZ2 3.66Å; R26-W56 HydrophobicContact CG-CZ3 3.91Å; I29-W56 HydrophobicContact CB-CH2 4.46Å; I29-W56 HydrophobicContact CB-CZ2 4.24Å; I29-W56 HydrophobicContact CG1-CH2 4.3Å; I29-W56 HydrophobicContact CG2-CZ2 4.3Å; L48-W56 PolarHBondContact O-NE1 2.92Å; S53-W56 WeakPolarHBondContact O-CB 3.31Å; S53-W56 PolarHBondContact O-N 2.89Å; W56-K58 VanDerWaalsContact C-N 3.29Å; W56-K58 PolarHBondContact O-N 2.87Å; W56-F59 PolarHBondContact O-N 2.91Å; W56-F60 HydrophobicContact CE3-CB 4.03Å; W56-F60 HydrophobicContact CH2-CB 4.04Å; W56-F60 HydrophobicContact CH2-CD1 4.49Å; W56-F60 AromaticContact CH2-CD2 3.71Å; W56-F60 HydrophobicContact CH2-CD2 3.71Å; W56-F60 HydrophobicContact CH2-CE2 4.31Å; W56-F60 AromaticContact CH2-CG 3.82Å; W56-F60 HydrophobicContact CH2-CG 3.82Å; W56-F60 HydrophobicContact CZ2-CD2 4.31Å; W56-F60 HydrophobicContact CZ3-CB 3.73Å; W56-F60 HydrophobicContact CZ3-CD1 4.22Å; W56-F60 HydrophobicContact CZ3-CD2 4.17Å; W56-F60 AromaticContact CZ3-CG 3.78Å; W56-F60 HydrophobicContact CZ3-CG 3.78Å; W56-F60 WeakPolarHBondContact O-CB 3.26Å; W56-F60 PolarHBondContact O-N 3.28Å
57P74.5Confident70.9Confident48 Ų4871.9 Ų71.931%0.31235%0.346SS..Hα-helixtrans-61-34.1177.2-23.835.4000113.8S54 D55 F60 E61S54-P57 WeakPolarHBondContact O-CD 3.48Å; D55-P57 VanDerWaalsContact C-N 3.33Å; P57-F60 PolarHBondContact O-N 2.89Å; P57-E61 PolarHBondContact O-N 3.42Å
58K76.8Confident71.2Confident138 Ų13874.9 Ų74.960%0.636%0.362SS*.Hα-helixtrans-70.7-40.4177.8-62.4175.3-173.81570111.2D55 W56 F60 E61 K62D55-K58 WeakPolarHBondContact O-CB 3.45Å; D55-K58 PolarHBondContact O-N 2.83Å; D55-K58 IonicContact OD1-NZ 2.8Å; D55-K58 PolarHBondContact OD1-NZ 2.78Å; W56-K58 VanDerWaalsContact C-N 3.29Å; W56-K58 PolarHBondContact O-N 2.87Å; K58-F60 VanDerWaalsContact C-N 3.33Å; K58-E61 PolarHBondContact O-N 3.48Å; K58-K62 PolarHBondContact O-N 3.06Å
59F72Confident71.3Confident72 Ų7275.1 Ų75.132%0.31636%0.364SS..Hα-helixtrans-66.7-37174.2-68.7-67.5000111.8N47 L48 D55 W56 K62 Y63N47-F59 HydrophobicContact CB-CD1 3.86Å; N47-F59 HydrophobicContact CB-CD2 4.32Å; N47-F59 HydrophobicContact CB-CE1 4Å; N47-F59 HydrophobicContact CB-CE2 4.46Å; N47-F59 HydrophobicContact CB-CG 4.03Å; N47-F59 HydrophobicContact CB-CZ 4.3Å; L48-F59 HydrophobicContact CD2-CB 4.3Å; D55-F59 HydrophobicContact CB-CD2 4.15Å; D55-F59 HydrophobicContact CB-CE2 3.75Å; D55-F59 WeakPolarHBondContact O-CD2 3.48Å; D55-F59 PolarHBondContact O-N 2.88Å; W56-F59 PolarHBondContact O-N 2.91Å; F59-K62 PolarHBondContact O-N 3.22Å; F59-Y63 WeakPolarHBondContact O-CB 3.28Å; F59-Y63 PolarHBondContact O-N 2.89Å
60F72Confident71.4Confident2 Ų270.8 Ų70.81%0.00936%0.36CS..Hα-helixtrans-66.8-37.9174.1-175.1-112.1000112.4F25 I29 W56 P57 K58 Y63 L64 I73 L83F25-F60 HydrophobicContact CE1-CE1 4.45Å; F25-F60 HydrophobicContact CE1-CZ 4.5Å; F25-F60 AromaticContact CZ-CE1 3.95Å; F25-F60 HydrophobicContact CZ-CE1 3.95Å; F25-F60 HydrophobicContact CZ-CE2 4.33Å; F25-F60 AromaticContact CZ-CZ 3.74Å; F25-F60 HydrophobicContact CZ-CZ 3.74Å; I29-F60 HydrophobicContact CB-CE2 4.47Å; I29-F60 HydrophobicContact CD1-CE2 3.85Å; I29-F60 HydrophobicContact CD1-CZ 4.28Å; I29-F60 HydrophobicContact CG1-CE2 3.82Å; I29-F60 HydrophobicContact CG1-CZ 4.45Å; I29-F60 HydrophobicContact CG2-CD2 4.01Å; I29-F60 HydrophobicContact CG2-CE2 3.84Å; W56-F60 HydrophobicContact CE3-CB 4.03Å; W56-F60 HydrophobicContact CH2-CB 4.04Å; W56-F60 HydrophobicContact CH2-CD1 4.49Å; W56-F60 AromaticContact CH2-CD2 3.71Å; W56-F60 HydrophobicContact CH2-CD2 3.71Å; W56-F60 HydrophobicContact CH2-CE2 4.31Å; W56-F60 AromaticContact CH2-CG 3.82Å; W56-F60 HydrophobicContact CH2-CG 3.82Å; W56-F60 HydrophobicContact CZ2-CD2 4.31Å; W56-F60 HydrophobicContact CZ3-CB 3.73Å; W56-F60 HydrophobicContact CZ3-CD1 4.22Å; W56-F60 HydrophobicContact CZ3-CD2 4.17Å; W56-F60 AromaticContact CZ3-CG 3.78Å; W56-F60 HydrophobicContact CZ3-CG 3.78Å; W56-F60 WeakPolarHBondContact O-CB 3.26Å; W56-F60 PolarHBondContact O-N 3.28Å; P57-F60 PolarHBondContact O-N 2.89Å; K58-F60 VanDerWaalsContact C-N 3.33Å; F60-Y63 HydrophobicContact CD2-CD1 4.33Å; F60-Y63 HydrophobicContact CE2-CD1 4.3Å; F60-Y63 WeakPolarHBondContact O-CB 3.36Å; F60-Y63 PolarHBondContact O-N 3.39Å; F60-L64 HydrophobicContact CD1-CD1 3.94Å; F60-L64 HydrophobicContact CD1-CG 4.35Å; F60-L64 HydrophobicContact CE1-CD1 3.49Å; F60-L64 VanDerWaalsContact CE1-CD1 3.49Å; F60-L64 HydrophobicContact CE1-CD2 4.37Å; F60-L64 HydrophobicContact CE1-CG 3.98Å; F60-L64 HydrophobicContact CE2-CD2 4.33Å; F60-L64 HydrophobicContact CE2-CG 4.32Å; F60-L64 HydrophobicContact CZ-CD1 3.92Å; F60-L64 HydrophobicContact CZ-CD2 3.92Å; F60-L64 HydrophobicContact CZ-CG 3.96Å; F60-L64 WeakPolarHBondContact O-CG 3.24Å; F60-L64 PolarHBondContact O-N 3.07Å; F60-I73 HydrophobicContact CD1-CG1 4.39Å; F60-L83 HydrophobicContact CE2-CD1 4.39Å; F60-L83 HydrophobicContact CZ-CD1 4.43Å
61E75.3Confident71.4Confident97 Ų9770.1 Ų70.145%0.45335%0.354SS..Hα-helixtrans-64.2-42174-161.4178.3176.500112.2P57 K58 Y63 L64 R65 I73P57-E61 PolarHBondContact O-N 3.42Å; K58-E61 PolarHBondContact O-N 3.48Å; E61-Y63 VanDerWaalsContact C-N 3.34Å; E61-L64 PolarHBondContact O-N 2.87Å; E61-R65 PolarHBondContact O-N 2.96Å; E61-I73 HydrophobicContact CB-CD1 3.7Å; E61-I73 HydrophobicContact CB-CG1 4.31Å; E61-I73 HydrophobicContact CG-CD1 3.9Å; E61-I73 HydrophobicContact CG-CG1 4.33Å
62K78.1Confident71.5Confident120 Ų12075.7 Ų75.752%0.52238%0.377SS..Hα-helixtrans-62.4-44173.8-170.2-177.5176.6-170.70110.9K58 F59 L64 R65 D66K58-K62 PolarHBondContact O-N 3.06Å; F59-K62 PolarHBondContact O-N 3.22Å; K62-L64 PolarHBondContact O-N 3.29Å; K62-R65 WeakPolarHBondContact O-CB 3.42Å; K62-R65 PolarHBondContact O-N 3.14Å; K62-D66 WeakPolarHBondContact O-CB 3.41Å; K62-D66 VanDerWaalsContact O-CG 3.26Å; K62-D66 PolarHBondContact O-N 3.27Å
63Y73.5Confident71.5Confident1 Ų170 Ų700%0.00435%0.351CS..Hα-helixtrans-56.2-49.4174178.3-93.8000112.1E33 Y40 L48 F59 F60 E61 R65 D66 V67 L83E33-Y63 HydrophobicContact CB-CE2 4.34Å; E33-Y63 VanDerWaalsContact CD-CE2 3.48Å; E33-Y63 HydrophobicContact CG-CE2 3.97Å; E33-Y63 WeakPolarHBondContact OE2-CE2 3.43Å; E33-Y63 VanDerWaalsContact OE2-CZ 3.28Å; E33-Y63 PolarHBondContact OE2-OH 3.03Å; Y40-Y63 AromaticContact CD2-CD2 3.64Å; Y40-Y63 HydrophobicContact CD2-CD2 3.64Å; Y40-Y63 AromaticContact CD2-CE2 3.75Å; Y40-Y63 HydrophobicContact CD2-CE2 3.75Å; Y40-Y63 AromaticContact CE2-CD2 3.18Å; Y40-Y63 HydrophobicContact CE2-CD2 3.18Å; Y40-Y63 AromaticContact CE2-CE2 3.68Å; Y40-Y63 HydrophobicContact CE2-CE2 3.68Å; Y40-Y63 HydrophobicContact CE2-CG 4.18Å; Y40-Y63 WeakPolarHBondContact OH-CA 3.1Å; L48-Y63 HydrophobicContact CD1-CD2 3.5Å; L48-Y63 VanDerWaalsContact CD1-CD2 3.5Å; L48-Y63 HydrophobicContact CD1-CE2 4.1Å; L48-Y63 HydrophobicContact CD1-CG 4.15Å; F59-Y63 WeakPolarHBondContact O-CB 3.28Å; F59-Y63 PolarHBondContact O-N 2.89Å; F60-Y63 HydrophobicContact CD2-CD1 4.33Å; F60-Y63 HydrophobicContact CE2-CD1 4.3Å; F60-Y63 WeakPolarHBondContact O-CB 3.36Å; F60-Y63 PolarHBondContact O-N 3.39Å; E61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-R65 VanDerWaalsContact C-N 3.28Å; Y63-R65 PolarHBondContact O-N 2.94Å; Y63-D66 PolarHBondContact O-N 3.43Å; Y63-V67 HydrophobicContact CD1-CG2 4.25Å; Y63-V67 HydrophobicContact CD2-CG2 4.29Å; Y63-V67 HydrophobicContact CE1-CG2 3.89Å; Y63-V67 HydrophobicContact CE2-CG2 3.86Å; Y63-V67 HydrophobicContact CG-CG2 4.42Å; Y63-V67 WeakPolarHBondContact O-CB 3.41Å; Y63-V67 VanDerWaalsContact O-CG2 3.23Å; Y63-V67 WeakPolarHBondContact O-CG2 3.43Å; Y63-V67 PolarHBondContact O-N 3.06Å; Y63-L83 HydrophobicContact CE1-CD1 4.34Å; Y63-L83 HydrophobicContact CE1-CD2 3.91Å
64L73.5Confident71.2Confident6 Ų677 Ų773%0.03138%0.381CS..Hα-helixtrans-60.9-38.2178-72.8177000112.3F60 E61 K62 N68 C69 A79 L83F60-L64 HydrophobicContact CD1-CD1 3.94Å; F60-L64 HydrophobicContact CD1-CG 4.35Å; F60-L64 HydrophobicContact CE1-CD1 3.49Å; F60-L64 VanDerWaalsContact CE1-CD1 3.49Å; F60-L64 HydrophobicContact CE1-CD2 4.37Å; F60-L64 HydrophobicContact CE1-CG 3.98Å; F60-L64 HydrophobicContact CE2-CD2 4.33Å; F60-L64 HydrophobicContact CE2-CG 4.32Å; F60-L64 HydrophobicContact CZ-CD1 3.92Å; F60-L64 HydrophobicContact CZ-CD2 3.92Å; F60-L64 HydrophobicContact CZ-CG 3.96Å; F60-L64 WeakPolarHBondContact O-CG 3.24Å; F60-L64 PolarHBondContact O-N 3.07Å; E61-L64 PolarHBondContact O-N 2.87Å; K62-L64 PolarHBondContact O-N 3.29Å; L64-N68 PolarHBondContact O-N 3.32Å; L64-N68 VanDerWaalsContact O-N 3.15Å; L64-C69 HydrophobicContact CB-CB 4.15Å; L64-C69 HydrophobicContact CD2-CB 3.8Å; L64-C69 WeakPolarHBondContact O-CB 3.42Å; L64-C69 PolarHBondContact O-N 3.09Å; L64-A79 HydrophobicContact CD2-CB 4.48Å; L64-L83 HydrophobicContact CD2-CD1 4.09Å; L64-L83 HydrophobicContact CD2-CG 4.46Å
65R75.7Confident71.3Confident174 Ų17475.7 Ų75.766%0.65736%0.363SS*.Hα-helixtrans-67-43.6176.4-169.1-177.9-61.5165.23.4111.9E61 K62 Y63 V67 N68E61-R65 PolarHBondContact O-N 2.96Å; K62-R65 WeakPolarHBondContact O-CB 3.42Å; K62-R65 PolarHBondContact O-N 3.14Å; Y63-R65 VanDerWaalsContact C-N 3.28Å; Y63-R65 PolarHBondContact O-N 2.94Å; R65-V67 VanDerWaalsContact C-N 3.34Å; R65-N68 WeakPolarHBondContact O-CA 3.5Å; R65-N68 PolarHBondContact O-N 3.19Å
66D73.3Confident71.2Confident67 Ų6777.3 Ų77.336%0.35836%0.364SS..Hα-helixtrans-69.9-35.1-178.2-68.1-9.1000111.1Y40 K62 Y63 N68Y40-D66 VanDerWaalsContact OH-CB 3.32Å; Y40-D66 WeakPolarHBondContact OH-CB 3.18Å; Y40-D66 VanDerWaalsContact OH-CG 3.25Å; Y40-D66 PolarHBondContact OH-OD2 3.17Å; K62-D66 WeakPolarHBondContact O-CB 3.41Å; K62-D66 VanDerWaalsContact O-CG 3.26Å; K62-D66 PolarHBondContact O-N 3.27Å; Y63-D66 PolarHBondContact O-N 3.43Å; D66-N68 PolarHBondContact O-N 2.82Å
67V72Confident71.1Confident16 Ų1681.7 Ų81.710%0.09738%0.384CS..THydrogen-bonded Turntrans-76.9-6.1172.8-174.50000111.9Y63 R65 W82 L83 L86Y63-V67 HydrophobicContact CD1-CG2 4.25Å; Y63-V67 HydrophobicContact CD2-CG2 4.29Å; Y63-V67 HydrophobicContact CE1-CG2 3.89Å; Y63-V67 HydrophobicContact CE2-CG2 3.86Å; Y63-V67 HydrophobicContact CG-CG2 4.42Å; Y63-V67 WeakPolarHBondContact O-CB 3.41Å; Y63-V67 VanDerWaalsContact O-CG2 3.23Å; Y63-V67 WeakPolarHBondContact O-CG2 3.43Å; Y63-V67 PolarHBondContact O-N 3.06Å; R65-V67 VanDerWaalsContact C-N 3.34Å; V67-W82 HydrophobicContact CG1-CH2 3.95Å; V67-W82 HydrophobicContact CG1-CZ3 3.7Å; V67-W82 WeakPolarHBondContact O-CH2 3.34Å; V67-L83 HydrophobicContact CG1-CD2 4.11Å; V67-L86 HydrophobicContact CG1-CD2 3.17Å
68N71.9Confident71.1Confident137 Ų13783.3 Ų83.373%0.73339%0.388SS*.THydrogen-bonded Turntrans62.938.5-179.1-156.924.1000113.9L64 R65 D66L64-N68 PolarHBondContact O-N 3.32Å; L64-N68 VanDerWaalsContact O-N 3.15Å; R65-N68 WeakPolarHBondContact O-CA 3.5Å; R65-N68 PolarHBondContact O-N 3.19Å; D66-N68 PolarHBondContact O-N 2.82Å
69C66.8Low71Confident14 Ų1476.7 Ų76.710%0.09536%0.359CS..  trans-75.4129.3173.8-1730000110.5L64 F71 W82L64-C69 HydrophobicContact CB-CB 4.15Å; L64-C69 HydrophobicContact CD2-CB 3.8Å; L64-C69 WeakPolarHBondContact O-CB 3.42Å; L64-C69 PolarHBondContact O-N 3.09Å; C69-F71 VanDerWaalsContact C-N 3.27Å; C69-F71 PolarHBondContact O-N 2.92Å; C69-W82 HydrophobicContact CB-CD2 4.23Å; C69-W82 HydrophobicContact CB-CE3 3.61Å; C69-W82 HydrophobicContact CB-CH2 3.89Å; C69-W82 HydrophobicContact CB-CZ2 4.45Å; C69-W82 HydrophobicContact CB-CZ3 3.42Å; C69-W82 VanDerWaalsContact CB-CZ3 3.42Å
70P67.2Low71.1Confident97 Ų9773.3 Ų73.363%0.6334%0.344SS*.  trans-79.4-4.818031.2-34.1000114.1
71F68.2Low71.4Confident71 Ų7176 Ų7631%0.31136%0.358SS..  trans-98.5148.8-172.5-58.8-70.5000113.1C69 E75 E78 A79 W82C69-F71 VanDerWaalsContact C-N 3.27Å; C69-F71 PolarHBondContact O-N 2.92Å; F71-E75 WeakPolarHBondContact CD1-OE2 3.41Å; F71-E78 HydrophobicContact CD1-CB 4.13Å; F71-E78 HydrophobicContact CE1-CB 4.33Å; F71-E78 HydrophobicContact CG-CB 4.26Å; F71-A79 HydrophobicContact CB-CB 4.33Å; F71-W82 HydrophobicContact CD2-CB 3.88Å; F71-W82 HydrophobicContact CD2-CG 4.06Å; F71-W82 HydrophobicContact CE2-CB 3.78Å; F71-W82 AromaticContact CE2-CD1 3.71Å; F71-W82 AromaticContact CE2-CG 3.86Å; F71-W82 HydrophobicContact CE2-CG 3.86Å
72K67.1Low71.7Confident148 Ų14874.6 Ų74.664%0.64335%0.349SS*.  trans-89160.2178.9-65.3-179.1-177.6176.20111.3Q74 E75K72-Q74 PolarHBondContact O-N 3.5Å; K72-E75 PolarHBondContact O-N 2.77Å
73I62.3Low71.6Confident47 Ų4768.9 Ų68.924%0.24132%0.324CS..THydrogen-bonded Turntrans-54.4-24.6178.4-55.7168.5000113.3F60 E61 E75 R76F60-I73 HydrophobicContact CD1-CG1 4.39Å; E61-I73 HydrophobicContact CB-CD1 3.7Å; E61-I73 HydrophobicContact CB-CG1 4.31Å; E61-I73 HydrophobicContact CG-CD1 3.9Å; E61-I73 HydrophobicContact CG-CG1 4.33Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-R76 WeakPolarHBondContact O-CG 3.31Å
74Q62.5Low71.7Confident176 Ų17668.8 Ų68.882%0.82232%0.324SS*.THydrogen-bonded Turntrans-71.4-27.3178.4-75.2156-16.800112.7K72 R76K72-Q74 PolarHBondContact O-N 3.5Å; Q74-R76 VanDerWaalsContact C-N 3.31Å; Q74-R76 PolarHBondContact O-N 3.07Å
75E69.5Low71.9Confident86 Ų8669.8 Ų69.840%0.40234%0.335SS..  trans-95.759178.2-66.5174.7155.100109.2F71 K72 I73 Q77 E78 A79F71-E75 WeakPolarHBondContact CD1-OE2 3.41Å; K72-E75 PolarHBondContact O-N 2.77Å; I73-E75 VanDerWaalsContact C-N 3.33Å; E75-Q77 PolarHBondContact O-N 3.41Å; E75-E78 WeakPolarHBondContact CA-OE2 3.13Å; E75-E78 HydrophobicContact CB-CB 4.06Å; E75-E78 HydrophobicContact CB-CG 4.26Å; E75-E78 VanDerWaalsContact CB-OE2 3.29Å; E75-E78 WeakPolarHBondContact CB-OE2 3.4Å; E75-E78 PolarHBondContact O-N 3.43Å; E75-A79 VanDerWaalsContact O-CB 3.31Å; E75-A79 WeakPolarHBondContact O-CB 3.34Å; E75-A79 PolarHBondContact O-N 3Å
76R71.5Confident72Confident100 Ų10063.3 Ų63.338%0.37731%0.314SS..Hα-helixtrans-57.9-37.9-174.3-64.7-176.5-179.3-179.6-2.6111.8I73 Q74 I80I73-R76 WeakPolarHBondContact O-CG 3.31Å; Q74-R76 VanDerWaalsContact C-N 3.31Å; Q74-R76 PolarHBondContact O-N 3.07Å; R76-I80 WeakPolarHBondContact O-CB 3.47Å; R76-I80 VanDerWaalsContact O-CD1 3.23Å; R76-I80 WeakPolarHBondContact O-CD1 3.41Å; R76-I80 WeakPolarHBondContact O-CG1 3.35Å; R76-I80 PolarHBondContact O-N 2.94Å
77Q69.8Low72.2Confident98 Ų9860.1 Ų60.146%0.45830%0.297SS..Hα-helixtrans-72.3-39.5-176.6-67.3-173.2-23.600111.4F2 C19 E75 I80 D81F2-Q77 HydrophobicContact CZ-CB 4.26Å; C19-Q77 HydrophobicContact CB-CG 4.34Å; E75-Q77 PolarHBondContact O-N 3.41Å; Q77-I80 PolarHBondContact O-N 3.26Å; Q77-D81 WeakPolarHBondContact O-CB 3.38Å; Q77-D81 PolarHBondContact O-N 3.07Å
78E74.5Confident72.4Confident82 Ų8261.7 Ų61.738%0.38331%0.306SS..Hα-helixtrans-72.3-42.5179.4-59.475.8-17400110.6F71 E75 I80 D81 W82F71-E78 HydrophobicContact CD1-CB 4.13Å; F71-E78 HydrophobicContact CE1-CB 4.33Å; F71-E78 HydrophobicContact CG-CB 4.26Å; E75-E78 WeakPolarHBondContact CA-OE2 3.13Å; E75-E78 HydrophobicContact CB-CB 4.06Å; E75-E78 HydrophobicContact CB-CG 4.26Å; E75-E78 VanDerWaalsContact CB-OE2 3.29Å; E75-E78 WeakPolarHBondContact CB-OE2 3.4Å; E75-E78 PolarHBondContact O-N 3.43Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 3.43Å; E78-D81 PolarHBondContact O-N 2.83Å; E78-W82 VanDerWaalsContact O-CB 3.3Å; E78-W82 WeakPolarHBondContact O-CB 3.5Å; E78-W82 PolarHBondContact O-N 3.45Å
79A73.8Confident72.7Confident0 Ų064.1 Ų64.10%031%0.305CS..Hα-helixtrans-60.4-4217300000111.5L64 F71 E75 L83L64-A79 HydrophobicContact CD2-CB 4.48Å; F71-A79 HydrophobicContact CB-CB 4.33Å; E75-A79 VanDerWaalsContact O-CB 3.31Å; E75-A79 WeakPolarHBondContact O-CB 3.34Å; E75-A79 PolarHBondContact O-N 3Å; A79-L83 WeakPolarHBondContact O-CB 3.29Å; A79-L83 VanDerWaalsContact O-CG 3.23Å; A79-L83 WeakPolarHBondContact O-CG 3.17Å; A79-L83 PolarHBondContact O-N 2.99Å
80I75.2Confident73Confident0 Ų066.6 Ų66.60%032%0.317CS..Hα-helixtrans-64.1-46.4173.1-69.5162.7000111F2 F17 C19 F25 F28 R76 Q77 E78 W82 L83 L84F2-I80 HydrophobicContact CD1-CG2 4.1Å; F2-I80 HydrophobicContact CE1-CB 4.4Å; F2-I80 HydrophobicContact CE1-CG2 3.9Å; F17-I80 HydrophobicContact CE1-CD1 4.33Å; F17-I80 HydrophobicContact CE1-CG2 4.28Å; F17-I80 HydrophobicContact CZ-CD1 4.36Å; C19-I80 HydrophobicContact CB-CD1 3.92Å; F25-I80 HydrophobicContact CD2-CD1 3.51Å; F25-I80 HydrophobicContact CD2-CG1 4.02Å; F25-I80 HydrophobicContact CE2-CD1 3.47Å; F25-I80 VanDerWaalsContact CE2-CD1 3.47Å; F25-I80 HydrophobicContact CE2-CG1 3.52Å; F28-I80 HydrophobicContact CE1-CG2 3.96Å; R76-I80 WeakPolarHBondContact O-CB 3.47Å; R76-I80 VanDerWaalsContact O-CD1 3.23Å; R76-I80 WeakPolarHBondContact O-CD1 3.41Å; R76-I80 WeakPolarHBondContact O-CG1 3.35Å; R76-I80 PolarHBondContact O-N 2.94Å; Q77-I80 PolarHBondContact O-N 3.26Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 3.43Å; I80-W82 PolarHBondContact O-N 2.88Å; I80-L83 PolarHBondContact O-N 3.39Å; I80-L84 HydrophobicContact CG2-CD1 3.66Å; I80-L84 HydrophobicContact CG2-CG 4.19Å; I80-L84 VanDerWaalsContact O-CB 3.25Å; I80-L84 WeakPolarHBondContact O-CB 3.05Å; I80-L84 VanDerWaalsContact O-CG 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.5Å; I80-L84 PolarHBondContact O-N 3.3Å
81D77.3Confident73.2Confident58 Ų5863.9 Ų63.931%0.3130%0.296SS..Hα-helixtrans-62.3-36.4-178-165.360.1000112F2 K5 Q77 E78 G85F2-D81 HydrophobicContact CE1-CB 3.9Å; K5-D81 PolarHBondContact NZ-O 3.15Å; K5-D81 IonicContact NZ-OD1 2.78Å; K5-D81 PolarHBondContact NZ-OD1 3.46Å; K5-D81 IonicContact NZ-OD2 3.99Å; K5-D81 PolarHBondContact NZ-OD2 3.03Å; Q77-D81 WeakPolarHBondContact O-CB 3.38Å; Q77-D81 PolarHBondContact O-N 3.07Å; E78-D81 PolarHBondContact O-N 2.83Å; D81-G85 PolarHBondContact O-N 3.12Å
82W81.1Confident73.3Confident68 Ų6866.4 Ų66.426%0.25830%0.304SS..Hα-helixtrans-71-47.2175.3-173.189.4000112.1V67 C69 F71 E78 I80 L84 G85 L86V67-W82 HydrophobicContact CG1-CH2 3.95Å; V67-W82 HydrophobicContact CG1-CZ3 3.7Å; V67-W82 WeakPolarHBondContact O-CH2 3.34Å; C69-W82 HydrophobicContact CB-CD2 4.23Å; C69-W82 HydrophobicContact CB-CE3 3.61Å; C69-W82 HydrophobicContact CB-CH2 3.89Å; C69-W82 HydrophobicContact CB-CZ2 4.45Å; C69-W82 HydrophobicContact CB-CZ3 3.42Å; C69-W82 VanDerWaalsContact CB-CZ3 3.42Å; F71-W82 HydrophobicContact CD2-CB 3.88Å; F71-W82 HydrophobicContact CD2-CG 4.06Å; F71-W82 HydrophobicContact CE2-CB 3.78Å; F71-W82 AromaticContact CE2-CD1 3.71Å; F71-W82 AromaticContact CE2-CG 3.86Å; F71-W82 HydrophobicContact CE2-CG 3.86Å; E78-W82 VanDerWaalsContact O-CB 3.3Å; E78-W82 WeakPolarHBondContact O-CB 3.5Å; E78-W82 PolarHBondContact O-N 3.45Å; I80-W82 PolarHBondContact O-N 2.88Å; W82-L84 VanDerWaalsContact C-N 3.31Å; W82-L84 PolarHBondContact O-N 3.31Å; W82-G85 CarbonylContact O-C 3.55Å; W82-G85 WeakPolarHBondContact O-CA 3.35Å; W82-G85 PolarHBondContact O-N 2.97Å; W82-L86 HydrophobicContact CH2-CD2 3.91Å; W82-L86 HydrophobicContact CZ3-CD2 3.91Å; W82-L86 PolarHBondContact O-N 3.41Å
83L76.9Confident73.3Confident0 Ų061.6 Ų61.60%030%0.296CS..Hα-helixtrans-61.1-40175.7-75.9171.5000111.8I29 L32 I37 F60 Y63 L64 V67 A79 I80 G85 L86 A87I29-L83 HydrophobicContact CD1-CD1 3.7Å; L32-L83 HydrophobicContact CD2-CB 4.17Å; I37-L83 HydrophobicContact CD1-CD2 3.84Å; F60-L83 HydrophobicContact CE2-CD1 4.39Å; F60-L83 HydrophobicContact CZ-CD1 4.43Å; Y63-L83 HydrophobicContact CE1-CD1 4.34Å; Y63-L83 HydrophobicContact CE1-CD2 3.91Å; L64-L83 HydrophobicContact CD2-CD1 4.09Å; L64-L83 HydrophobicContact CD2-CG 4.46Å; V67-L83 HydrophobicContact CG1-CD2 4.11Å; A79-L83 WeakPolarHBondContact O-CB 3.29Å; A79-L83 VanDerWaalsContact O-CG 3.23Å; A79-L83 WeakPolarHBondContact O-CG 3.17Å; A79-L83 PolarHBondContact O-N 2.99Å; I80-L83 PolarHBondContact O-N 3.39Å; L83-G85 VanDerWaalsContact C-N 3.35Å; L83-L86 PolarHBondContact O-N 2.78Å; L83-A87 WeakPolarHBondContact O-CB 3.37Å; L83-A87 PolarHBondContact O-N 2.88Å
84L75.8Confident73.6Confident0 Ų065.9 Ų65.90%032%0.32CS..Hα-helixtrans-61.1-43170.9-80.7169.6000111.6F2 K5 L6 L9 F28 L32 I80 W82 L86 A87 V88F2-L84 HydrophobicContact CB-CD1 4.28Å; F2-L84 HydrophobicContact CD1-CD1 3.53Å; F2-L84 HydrophobicContact CE1-CD1 4.33Å; F2-L84 HydrophobicContact CG-CD1 4.32Å; K5-L84 HydrophobicContact CB-CB 4.28Å; K5-L84 HydrophobicContact CB-CD1 4.37Å; K5-L84 HydrophobicContact CB-CD2 4.36Å; K5-L84 HydrophobicContact CD-CB 3.97Å; L6-L84 HydrophobicContact CD2-CD2 3.95Å; L6-L84 HydrophobicContact CG-CD2 4.44Å; L9-L84 HydrophobicContact CD1-CD2 3.31Å; F28-L84 HydrophobicContact CE1-CD2 4.42Å; F28-L84 HydrophobicContact CE1-CG 4.42Å; F28-L84 HydrophobicContact CZ-CD2 3.66Å; F28-L84 HydrophobicContact CZ-CG 4.12Å; L32-L84 HydrophobicContact CD1-CD2 3.98Å; L32-L84 HydrophobicContact CD1-CG 4.29Å; I80-L84 HydrophobicContact CG2-CD1 3.66Å; I80-L84 HydrophobicContact CG2-CG 4.19Å; I80-L84 VanDerWaalsContact O-CB 3.25Å; I80-L84 WeakPolarHBondContact O-CB 3.05Å; I80-L84 VanDerWaalsContact O-CG 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.5Å; I80-L84 PolarHBondContact O-N 3.3Å; W82-L84 VanDerWaalsContact C-N 3.31Å; W82-L84 PolarHBondContact O-N 3.31Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-A87 PolarHBondContact O-N 3.26Å; L84-V88 WeakPolarHBondContact O-CB 3.24Å; L84-V88 VanDerWaalsContact O-CG2 3.26Å; L84-V88 WeakPolarHBondContact O-CG2 3.3Å; L84-V88 PolarHBondContact O-N 2.89Å
85G77.8Confident73.7Confident26 Ų2659.1 Ų59.127%0.26829%0.289SS..Hα-helixtrans-63.3-38.717600000112.8D81 W82 L83 R89D81-G85 PolarHBondContact O-N 3.12Å; W82-G85 CarbonylContact O-C 3.55Å; W82-G85 WeakPolarHBondContact O-CA 3.35Å; W82-G85 PolarHBondContact O-N 2.97Å; L83-G85 VanDerWaalsContact C-N 3.35Å; G85-R89 WeakPolarHBondContact O-CB 3.12Å; G85-R89 PolarHBondContact O-N 3.35Å
86L78.8Confident73.3Confident38 Ų3856 Ų5620%0.19928%0.279CS..Hα-helixtrans-67.2-46.5174.6-177.764.7000111.3I37 V67 W82 L83 L84 V88 R89 L90I37-L86 HydrophobicContact CD1-CD2 4.04Å; I37-L86 HydrophobicContact CD1-CG 4.49Å; V67-L86 HydrophobicContact CG1-CD2 3.17Å; W82-L86 HydrophobicContact CH2-CD2 3.91Å; W82-L86 HydrophobicContact CZ3-CD2 3.91Å; W82-L86 PolarHBondContact O-N 3.41Å; L83-L86 PolarHBondContact O-N 2.78Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L86-V88 VanDerWaalsContact C-N 3.34Å; L86-V88 PolarHBondContact O-N 3.43Å; L86-R89 WeakPolarHBondContact O-CB 3.35Å; L86-R89 PolarHBondContact O-N 2.97Å; L86-R89 VanDerWaalsContact O-N 3.13Å; L86-L90 HydrophobicContact CG-CD1 4.27Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 3.14Å
87A77.1Confident72.7Confident0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-58.5-44.6176.500000111.9L9 L32 K36 I37 L83 L84 R89 L90 E91L9-A87 HydrophobicContact CD1-CB 3.86Å; L9-A87 HydrophobicContact CD2-CB 3.9Å; L32-A87 HydrophobicContact CD1-CB 4.35Å; L32-A87 HydrophobicContact CD2-CB 4.25Å; L32-A87 HydrophobicContact CG-CB 4.23Å; K36-A87 HydrophobicContact CB-CB 3.86Å; I37-A87 HydrophobicContact CG1-CB 4.28Å; L83-A87 WeakPolarHBondContact O-CB 3.37Å; L83-A87 PolarHBondContact O-N 2.88Å; L84-A87 PolarHBondContact O-N 3.26Å; A87-R89 VanDerWaalsContact C-N 3.3Å; A87-R89 PolarHBondContact O-N 3.25Å; A87-L90 PolarHBondContact O-N 2.93Å; A87-E91 WeakPolarHBondContact O-CB 3.32Å; A87-E91 PolarHBondContact O-N 2.84Å
88V75.8Confident72.4Confident50 Ų5061.1 Ų61.130%0.30330%0.304SS..Hα-helixtrans-63.7-38176.5169.70000111.1A8 L9 L84 L86 Y92A8-V88 HydrophobicContact CB-CG2 4.48Å; L9-V88 HydrophobicContact CD1-CG2 4.31Å; L9-V88 HydrophobicContact CD2-CB 4.45Å; L9-V88 HydrophobicContact CD2-CG2 3.7Å; L9-V88 HydrophobicContact CG-CG2 3.89Å; L84-V88 WeakPolarHBondContact O-CB 3.24Å; L84-V88 VanDerWaalsContact O-CG2 3.26Å; L84-V88 WeakPolarHBondContact O-CG2 3.3Å; L84-V88 PolarHBondContact O-N 2.89Å; L86-V88 VanDerWaalsContact C-N 3.34Å; L86-V88 PolarHBondContact O-N 3.43Å; V88-Y92 VanDerWaalsContact O-CB 3.28Å; V88-Y92 WeakPolarHBondContact O-CB 3.38Å; V88-Y92 PolarHBondContact O-N 3.44Å
89R77.8Confident71.6Confident187 Ų18762.1 Ų62.171%0.70631%0.306SS*.Hα-helixtrans-65.4-42.2176.4-173.8-174.4-59.3-162.90.3111.9G85 L86 A87 Y92 G93G85-R89 WeakPolarHBondContact O-CB 3.12Å; G85-R89 PolarHBondContact O-N 3.35Å; L86-R89 WeakPolarHBondContact O-CB 3.35Å; L86-R89 PolarHBondContact O-N 2.97Å; L86-R89 VanDerWaalsContact O-N 3.13Å; A87-R89 VanDerWaalsContact C-N 3.3Å; A87-R89 PolarHBondContact O-N 3.25Å; R89-Y92 PolarHBondContact O-N 3.35Å; R89-G93 PolarHBondContact O-N 3.26Å
90L73.8Confident70.9Confident66 Ų6669.8 Ų69.835%0.34634%0.339SS..Hα-helixtrans-66.1-45.7177.5-70.1172.1000110.9I37 L86 A87 Y92 G93 D94I37-L90 HydrophobicContact CB-CD1 4.42Å; I37-L90 HydrophobicContact CG1-CD1 4.21Å; I37-L90 HydrophobicContact CG2-CD1 4.48Å; L86-L90 HydrophobicContact CG-CD1 4.27Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 3.14Å; A87-L90 PolarHBondContact O-N 2.93Å; L90-Y92 VanDerWaalsContact C-N 3.32Å; L90-Y92 PolarHBondContact O-N 3.39Å; L90-G93 WeakPolarHBondContact O-CA 3.5Å; L90-G93 PolarHBondContact O-N 3.11Å; L90-D94 PolarHBondContact O-N 3.04Å
91E71.7Confident69.8Low40 Ų4076.7 Ų76.719%0.18738%0.376CS..Hα-helixtrans-62.9-37.3176.1178.7160.6-152.500112.8L9 K36 A87 N95L9-E91 WeakPolarHBondContact CD2-OE2 3.23Å; K36-E91 IonicContact NZ-OE1 2.78Å; K36-E91 PolarHBondContact NZ-OE1 2.88Å; K36-E91 IonicContact NZ-OE2 2.88Å; K36-E91 PolarHBondContact NZ-OE2 3.16Å; A87-E91 WeakPolarHBondContact O-CB 3.32Å; A87-E91 PolarHBondContact O-N 2.84Å; E91-N95 WeakPolarHBondContact O-CB 3.13Å; E91-N95 PolarHBondContact O-N 3.45Å; E91-N95 VanDerWaalsContact O-N 3.12Å; E91-N95 PolarHBondContact O-ND2 3.06Å
92Y69.2Low68.5Low125 Ų12579 Ų7949%0.4939%0.388SS..Hα-helixtrans-67.5-38.2171.9-176.3-94.3000111.9V88 R89 L90 N95 A96 Y99V88-Y92 VanDerWaalsContact O-CB 3.28Å; V88-Y92 WeakPolarHBondContact O-CB 3.38Å; V88-Y92 PolarHBondContact O-N 3.44Å; R89-Y92 PolarHBondContact O-N 3.35Å; L90-Y92 VanDerWaalsContact C-N 3.32Å; L90-Y92 PolarHBondContact O-N 3.39Å; Y92-N95 CarbonylContact O-C 3.45Å; Y92-N95 PolarHBondContact O-N 2.91Å; Y92-A96 WeakPolarHBondContact O-CA 3.47Å; Y92-A96 WeakPolarHBondContact O-CB 3.38Å; Y92-A96 PolarHBondContact O-N 3.22Å; Y92-Y99 AromaticContact CD2-CD2 3.59Å; Y92-Y99 HydrophobicContact CD2-CD2 3.59Å; Y92-Y99 HydrophobicContact CD2-CE2 4.15Å; Y92-Y99 HydrophobicContact CD2-CG 4.09Å; Y92-Y99 AromaticContact CE2-CD2 3.78Å; Y92-Y99 HydrophobicContact CE2-CD2 3.78Å; Y92-Y99 AromaticContact CE2-CG 3.85Å; Y92-Y99 HydrophobicContact CE2-CG 3.85Å; Y92-Y99 HydrophobicContact CG-CD2 4.49Å
93G68.2Low67Low46 Ų4678.7 Ų78.747%0.47440%0.4SS..Hα-helixtrans-62-46.1175.400000112.5R89 L90 N95 A96R89-G93 PolarHBondContact O-N 3.26Å; L90-G93 WeakPolarHBondContact O-CA 3.5Å; L90-G93 PolarHBondContact O-N 3.11Å; G93-N95 VanDerWaalsContact C-N 3.3Å; G93-N95 PolarHBondContact O-N 3.38Å; G93-A96 WeakPolarHBondContact O-CB 2.99Å; G93-A96 PolarHBondContact O-N 3.17Å
94D67.8Low65.5Low137 Ų13785.3 Ų85.373%0.73344%0.443SS*.Hα-helixtrans-67.7-30.7179.3-72.3-13.9000112.6L90L90-D94 PolarHBondContact O-N 3.04Å
95N65Low63.8Low34 Ų3491.1 Ų91.118%0.18247%0.474CS..THydrogen-bonded Turntrans-107.718.3179.8-69.1-51.7000112.8E91 Y92 G93 E97 K98 Y99E91-N95 WeakPolarHBondContact O-CB 3.13Å; E91-N95 PolarHBondContact O-N 3.45Å; E91-N95 VanDerWaalsContact O-N 3.12Å; E91-N95 PolarHBondContact O-ND2 3.06Å; Y92-N95 CarbonylContact O-C 3.45Å; Y92-N95 PolarHBondContact O-N 2.91Å; G93-N95 VanDerWaalsContact C-N 3.3Å; G93-N95 PolarHBondContact O-N 3.38Å; N95-E97 PolarHBondContact O-N 3.38Å; N95-E97 VanDerWaalsContact O-N 3.14Å; N95-K98 HydrophobicContact CB-CB 4.49Å; N95-K98 HydrophobicContact CB-CD 4.21Å; N95-K98 WeakPolarHBondContact O-CA 3.36Å; N95-K98 WeakPolarHBondContact O-CB 3.39Å; N95-K98 PolarHBondContact O-N 2.91Å; N95-K98 PolarHBondContact OD1-NZ 3.02Å; N95-Y99 HydrophobicContact CB-CD2 3.91Å; N95-Y99 HydrophobicContact CB-CE2 3.42Å; N95-Y99 VanDerWaalsContact CB-CE2 3.42Å; N95-Y99 WeakPolarHBondContact O-CD2 3.35Å; N95-Y99 PolarHBondContact O-N 3.19Å
96A60.2Low62.4Low22 Ų2296.5 Ų96.518%0.18250%0.496CS..Hα-helixtrans-58.8-33.6-171.500000112.8Y92 G93 Y99 K100Y92-A96 WeakPolarHBondContact O-CA 3.47Å; Y92-A96 WeakPolarHBondContact O-CB 3.38Å; Y92-A96 PolarHBondContact O-N 3.22Å; G93-A96 WeakPolarHBondContact O-CB 2.99Å; G93-A96 PolarHBondContact O-N 3.17Å; A96-Y99 PolarHBondContact O-N 3.36Å; A96-K100 WeakPolarHBondContact O-CB 3.02Å; A96-K100 WeakPolarHBondContact O-CG 3.39Å; A96-K100 PolarHBondContact O-N 3.07Å
97E60.5Low60.8Low161 Ų161103.4 Ų103.475%0.75253%0.525SS*.Hα-helixtrans-67.5-38.9175.1-65.6-166.8152.900112.3N95 Y99 K100 D101N95-E97 PolarHBondContact O-N 3.38Å; N95-E97 VanDerWaalsContact O-N 3.14Å; E97-Y99 PolarHBondContact O-N 3.5Å; E97-K100 PolarHBondContact O-N 2.64Å; E97-D101 PolarHBondContact O-N 2.78Å
98K62.2Low59.4Low143 Ų143112.5 Ų112.562%0.62256%0.564SS**Hα-helixtrans-64.4-26.2175.4-62.3178.4-175.5159.30112.8N95 L102N95-K98 HydrophobicContact CB-CB 4.49Å; N95-K98 HydrophobicContact CB-CD 4.21Å; N95-K98 WeakPolarHBondContact O-CA 3.36Å; N95-K98 WeakPolarHBondContact O-CB 3.39Å; N95-K98 PolarHBondContact O-N 2.91Å; N95-K98 PolarHBondContact OD1-NZ 3.02Å; K98-L102 WeakPolarHBondContact O-CD1 3.3Å; K98-L102 WeakPolarHBondContact O-CG 3.41Å
99Y58.6Low57.4Low104 Ų104117.8 Ų117.841%0.40859%0.591SS.*Hα-helixtrans-99-14.5-179.3-59.9-64.7000114.1Y92 N95 A96 E97 L102Y92-Y99 AromaticContact CD2-CD2 3.59Å; Y92-Y99 HydrophobicContact CD2-CD2 3.59Å; Y92-Y99 HydrophobicContact CD2-CE2 4.15Å; Y92-Y99 HydrophobicContact CD2-CG 4.09Å; Y92-Y99 AromaticContact CE2-CD2 3.78Å; Y92-Y99 HydrophobicContact CE2-CD2 3.78Å; Y92-Y99 AromaticContact CE2-CG 3.85Å; Y92-Y99 HydrophobicContact CE2-CG 3.85Å; Y92-Y99 HydrophobicContact CG-CD2 4.49Å; N95-Y99 HydrophobicContact CB-CD2 3.91Å; N95-Y99 HydrophobicContact CB-CE2 3.42Å; N95-Y99 VanDerWaalsContact CB-CE2 3.42Å; N95-Y99 WeakPolarHBondContact O-CD2 3.35Å; N95-Y99 PolarHBondContact O-N 3.19Å; A96-Y99 PolarHBondContact O-N 3.36Å; E97-Y99 PolarHBondContact O-N 3.5Å; Y99-L102 HydrophobicContact CD1-CD1 3.93Å
100K59.4Low55.7Low161 Ų161114.3 Ų114.370%0.759%0.59SS**Hα-helixtrans-78.3-36.9173.9-85.6179.6179.2179.20112.5A96 E97 L102A96-K100 WeakPolarHBondContact O-CB 3.02Å; A96-K100 WeakPolarHBondContact O-CG 3.39Å; A96-K100 PolarHBondContact O-N 3.07Å; E97-K100 PolarHBondContact O-N 2.64Å; K100-L102 PolarHBondContact O-N 2.94Å
101D51.1Low53.9Low145 Ų145118 Ų11878%0.77561%0.61SS**SBendtrans-79.7-5.7176.8-71.2-35.3000113.3E97 A103E97-D101 PolarHBondContact O-N 2.78Å; D101-A103 PolarHBondContact O-N 2.87Å
102L50.8Low52.2Low106 Ų106123 Ų12356%0.55564%0.639SS**  trans-78.966.6165.3-68.2170.3000109.8K98 Y99 K100K98-L102 WeakPolarHBondContact O-CD1 3.3Å; K98-L102 WeakPolarHBondContact O-CG 3.41Å; Y99-L102 HydrophobicContact CD1-CD1 3.93Å; K100-L102 PolarHBondContact O-N 2.94Å
103A48.3Very low50.9Low62 Ų62122.2 Ų122.251%0.51266%0.658SS.*SBendtrans-50153.9136.900000107.9D101 D105D101-A103 PolarHBondContact O-N 2.87Å; A103-D105 PolarHBondContact O-N 3.23Å
104P46.7Very low49.9Very low139 Ų139124.1 Ų124.190%0.90367%0.669SS**SBendtrans-72.165.5-178.432.9-35.7000110.3
105D39.5Very low48.9Very low122 Ų122126.6 Ų126.665%0.65267%0.673SS**  trans-128.597.9173-150.21.7000108.9A103 K107A103-D105 PolarHBondContact O-N 3.23Å; D105-K107 PolarHBondContact O-N 3.07Å
106N48.6Very low47.9Very low138 Ų138132.9 Ų132.974%0.73871%0.707SS**  trans12.193.5141.1-64.6-46000116
107K45.4Very low47Very low184 Ų184134.5 Ų134.580%0.872%0.721SS**  -179.3130.3118.5-98.2153.2-171.2170.50113.1D105D105-K107 PolarHBondContact O-N 3.07Å
108K46.2Very low46.5Very low190 Ų190132.9 Ų132.983%0.82671%0.713SS**  trans77.879.1154.2-59.4174.9-177.5-175.70116.4
109N35.2Very low46.1Very low162 Ų162131.5 Ų131.587%0.86672%0.719SS**  -137113.9121.1-108.3-6.4000109.3
110T41.5Very low45.9Very low113 Ų113132.5 Ų132.569%0.69373%0.73SS**  trans-50.3151.6161.1400000109.7
111D36.4Very low45.7Very low143 Ų143130 Ų13077%0.76572%0.724SS**SBendtrans93.528.8169.5-48.8-26.2000119.4
112N36.3Very low46Very low147 Ų147130 Ų13079%0.78672%0.724SS**  trans-13646.5154.5-78.7-62.4000112.7A114N112-A114 PolarHBondContact O-N 2.99Å
113A41.6Very low46.4Very low108 Ų108128.6 Ų128.689%0.89372%0.716SS**THydrogen-bonded Turntrans-71.357.1172.300000112.6
114A47.3Very low47Very low86 Ų86130.1 Ų130.171%0.71172%0.716SS**THydrogen-bonded Turntrans-144.3-1.8178.200000117.5N112N112-A114 PolarHBondContact O-N 2.99Å
115K46.1Very low47.8Very low189 Ų189126.2 Ų126.282%0.82269%0.689SS**SBendtrans-142.71.2179.1-72.7-161.5177.2-1710119.5
116N44.1Very low49Very low165 Ų165125.8 Ų125.888%0.88269%0.687SS**  trans-148.849.2166.1-73.2-52.9000109.5E118N116-E118 PolarHBondContact O-N 3.18Å
117A41.8Very low50.3Low57 Ų57122.2 Ų122.247%0.47167%0.668SS.*  trans-59.6128.6157.800000105.8
118E49.9Very low51.7Low126 Ų126118 Ų11859%0.58966%0.659SS**  trans-32.2129164-62162.5-171.800108.7N116 L120 I121N116-E118 PolarHBondContact O-N 3.18Å; E118-L120 PolarHBondContact O-N 3.21Å; E118-I121 HydrophobicContact CB-CD1 3.81Å; E118-I121 HydrophobicContact CB-CG1 3.96Å; E118-I121 HydrophobicContact CG-CD1 3.95Å; E118-I121 PolarHBondContact O-N 3.22Å; E118-I121 WeakPolarHBondContact OE2-CD1 3.25Å; E118-I121 WeakPolarHBondContact OE2-CG1 3.27Å
119P52.4Low53.1Low115 Ų115114.7 Ų114.775%0.74765%0.651SS**THydrogen-bonded Turntrans-61.62.2-173.724.6-33.3000113.5
120L55.7Low55.1Low124 Ų124108.3 Ų108.365%0.64962%0.615SS**THydrogen-bonded Turntrans-109.3-18.3-177-54.9178.3000113.7E118 N122 L123E118-L120 PolarHBondContact O-N 3.21Å; L120-N122 VanDerWaalsContact C-N 3.33Å; L120-N122 PolarHBondContact O-N 3.24Å; L120-L123 HydrophobicContact CD2-CD2 4.02Å; L120-L123 WeakPolarHBondContact O-CB 3.25Å; L120-L123 PolarHBondContact O-N 2.84Å
121I55Low56.7Low109 Ų109105.9 Ų105.956%0.55960%0.595SS**THydrogen-bonded Turntrans-71.8-29.5-177.3-69.2167.3000111.8E118E118-I121 HydrophobicContact CB-CD1 3.81Å; E118-I121 HydrophobicContact CB-CG1 3.96Å; E118-I121 HydrophobicContact CG-CD1 3.95Å; E118-I121 PolarHBondContact O-N 3.22Å; E118-I121 WeakPolarHBondContact OE2-CD1 3.25Å; E118-I121 WeakPolarHBondContact OE2-CG1 3.27Å
122N57.2Low58.7Low145 Ų145101.9 Ų101.978%0.77558%0.582SS**THydrogen-bonded Turntrans-100.112.1175.9-75-36.5000113.1L120 D124L120-N122 VanDerWaalsContact C-N 3.33Å; L120-N122 PolarHBondContact O-N 3.24Å; N122-D124 PolarHBondContact O-N 2.96Å; N122-D124 VanDerWaalsContact O-N 3.11Å
123L58.4Low60.6Low77 Ų7796.8 Ų96.840%0.40356%0.564SS.*  trans-83.692.2-178.7-148.278.4000108.9L120 V125 F130L120-L123 HydrophobicContact CD2-CD2 4.02Å; L120-L123 WeakPolarHBondContact O-CB 3.25Å; L120-L123 PolarHBondContact O-N 2.84Å; L123-V125 PolarHBondContact O-N 2.75Å; L123-V125 VanDerWaalsContact O-N 3.17Å; L123-F130 HydrophobicContact CD1-CD2 4.33Å; L123-F130 HydrophobicContact CD2-CD2 3.32Å; L123-F130 HydrophobicContact CD2-CE2 3.2Å; L123-F130 HydrophobicContact CD2-CG 4.37Å; L123-F130 HydrophobicContact CD2-CZ 4.17Å; L123-F130 HydrophobicContact CG-CD2 3.74Å; L123-F130 HydrophobicContact CG-CE2 4.1Å; L123-F130 HydrophobicContact CG-CG 4.44Å
124D62.1Low62.4Low93 Ų9392 Ų9250%0.49752%0.523SS..  trans-65.7113.9169.3-177.95.2000108.8N122 N126 N127N122-D124 PolarHBondContact O-N 2.96Å; N122-D124 VanDerWaalsContact O-N 3.11Å; D124-N126 PolarHBondContact O-N 2.91Å; D124-N126 VanDerWaalsContact O-N 3.07Å; D124-N126 WeakPolarHBondContact OD1-CB 3.35Å; D124-N126 PolarHBondContact OD1-N 3.42Å; D124-N127 HydrophobicContact CB-CB 4.31Å; D124-N127 VanDerWaalsContact O-CB 3.24Å; D124-N127 WeakPolarHBondContact O-CB 3.31Å; D124-N127 PolarHBondContact O-N 2.94Å
125V63.3Low63.8Low57 Ų5790.2 Ų90.235%0.34550%0.501SS..THydrogen-bonded Turntrans-58-20.9177.9-179.70000111.5L123 F130 L150L123-V125 PolarHBondContact O-N 2.75Å; L123-V125 VanDerWaalsContact O-N 3.17Å; V125-F130 HydrophobicContact CG1-CE1 4.15Å; V125-L150 HydrophobicContact CG1-CD1 4.12Å; V125-L150 HydrophobicContact CG1-CD2 3.62Å; V125-L150 HydrophobicContact CG1-CG 3.88Å; V125-L150 HydrophobicContact CG2-CD2 4.29Å
126N64.9Low65.4Low114 Ų11484 Ų8461%0.6149%0.485SS*.THydrogen-bonded Turntrans-90.9-4.8177-65.6-55.5000114.5D124D124-N126 PolarHBondContact O-N 2.91Å; D124-N126 VanDerWaalsContact O-N 3.07Å; D124-N126 WeakPolarHBondContact OD1-CB 3.35Å; D124-N126 PolarHBondContact OD1-N 3.42Å
127N75.3Confident66.9Low62 Ų6279.6 Ų79.633%0.33246%0.461SS..  trans-63.6129177.5-173.8-22.1000110.4D124 D129 F130 K131D124-N127 HydrophobicContact CB-CB 4.31Å; D124-N127 VanDerWaalsContact O-CB 3.24Å; D124-N127 WeakPolarHBondContact O-CB 3.31Å; D124-N127 PolarHBondContact O-N 2.94Å; N127-D129 PolarHBondContact O-N 2.83Å; N127-D129 WeakPolarHBondContact OD1-CB 3.31Å; N127-D129 PolarHBondContact OD1-N 3.4Å; N127-F130 HydrophobicContact CB-CB 4.31Å; N127-F130 WeakPolarHBondContact O-CB 3.45Å; N127-F130 PolarHBondContact O-N 2.89Å; N127-F130 VanDerWaalsContact O-N 3.13Å; N127-K131 PolarHBondContact O-N 2.93Å
128P74.6Confident68.7Low95 Ų9577 Ų7762%0.61744%0.439SS*.Hα-helixtrans-56-32.7175.622.8-35000113.4K131 A132P128-K131 PolarHBondContact O-N 3.43Å; P128-A132 WeakPolarHBondContact O-CB 3.25Å; P128-A132 PolarHBondContact O-N 2.92Å
129D75.4Confident70.1Confident122 Ų12275 Ų7565%0.65243%0.432SS*.Hα-helixtrans-67.9-36.4178.6-64.3-29.3000111.9N127 A132 G133N127-D129 PolarHBondContact O-N 2.83Å; N127-D129 WeakPolarHBondContact OD1-CB 3.31Å; N127-D129 PolarHBondContact OD1-N 3.4Å; D129-A132 PolarHBondContact O-N 2.84Å; D129-G133 PolarHBondContact O-N 2.93Å
130F76.6Confident71.2Confident27 Ų2776.4 Ų76.412%0.11843%0.433CS..Hα-helixtrans-66.8-45.5175.4175.5-105.1000110.9L123 V125 N127 A132 G133 V134 L153L123-F130 HydrophobicContact CD1-CD2 4.33Å; L123-F130 HydrophobicContact CD2-CD2 3.32Å; L123-F130 HydrophobicContact CD2-CE2 3.2Å; L123-F130 HydrophobicContact CD2-CG 4.37Å; L123-F130 HydrophobicContact CD2-CZ 4.17Å; L123-F130 HydrophobicContact CG-CD2 3.74Å; L123-F130 HydrophobicContact CG-CE2 4.1Å; L123-F130 HydrophobicContact CG-CG 4.44Å; V125-F130 HydrophobicContact CG1-CE1 4.15Å; N127-F130 HydrophobicContact CB-CB 4.31Å; N127-F130 WeakPolarHBondContact O-CB 3.45Å; N127-F130 PolarHBondContact O-N 2.89Å; N127-F130 VanDerWaalsContact O-N 3.13Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 3.14Å; F130-G133 PolarHBondContact O-N 2.7Å; F130-V134 HydrophobicContact CD1-CG2 4.36Å; F130-V134 HydrophobicContact CD2-CG2 4.32Å; F130-V134 HydrophobicContact CE1-CG2 4Å; F130-V134 HydrophobicContact CE2-CG2 3.95Å; F130-V134 HydrophobicContact CZ-CG2 3.82Å; F130-V134 WeakPolarHBondContact O-CG2 3.42Å; F130-V134 PolarHBondContact O-N 3.27Å; F130-L153 HydrophobicContact CE2-CD2 4.33Å; F130-L153 HydrophobicContact CZ-CD2 3.86Å
131K75.4Confident72Confident63 Ų6372.7 Ų72.727%0.27441%0.414SS..Hα-helixtrans-62.4-41.2176.2-68.2178.5-179.4171.20111.9N127 P128 V134 M135 Y149N127-K131 PolarHBondContact O-N 2.93Å; P128-K131 PolarHBondContact O-N 3.43Å; K131-V134 PolarHBondContact O-N 2.78Å; K131-M135 WeakPolarHBondContact O-CB 3.46Å; K131-M135 VanDerWaalsContact O-CG 3.23Å; K131-M135 WeakPolarHBondContact O-CG 2.97Å; K131-M135 PolarHBondContact O-N 2.94Å; K131-Y149 HydrophobicContact CB-CD1 4.02Å; K131-Y149 HydrophobicContact CB-CE1 3.93Å; K131-Y149 HydrophobicContact CD-CD2 4.2Å; K131-Y149 HydrophobicContact CD-CE1 4.48Å; K131-Y149 HydrophobicContact CD-CE2 4.08Å; K131-Y149 HydrophobicContact CG-CD1 4.02Å; K131-Y149 HydrophobicContact CG-CD2 4.25Å; K131-Y149 HydrophobicContact CG-CE1 4.18Å; K131-Y149 HydrophobicContact CG-CE2 4.45Å; K131-Y149 HydrophobicContact CG-CG 4.06Å
132A78.6Confident72.9Confident59 Ų5975.9 Ų75.949%0.48843%0.426SS..Hα-helixtrans-63.3-41.4174.500000111.7P128 D129 F130 M135 A136P128-A132 WeakPolarHBondContact O-CB 3.25Å; P128-A132 PolarHBondContact O-N 2.92Å; D129-A132 PolarHBondContact O-N 2.84Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 3.14Å; A132-M135 PolarHBondContact O-N 3.3Å; A132-A136 WeakPolarHBondContact O-CB 3.44Å; A132-A136 PolarHBondContact O-N 2.85Å
133G77.6Confident73.7Confident39 Ų3970.5 Ų70.540%0.40240%0.397SS..Hα-helixtrans-63-46.8175.100000113D129 F130 M135 A136 L137D129-G133 PolarHBondContact O-N 2.93Å; F130-G133 PolarHBondContact O-N 2.7Å; G133-M135 VanDerWaalsContact C-N 3.33Å; G133-M135 PolarHBondContact O-N 3.16Å; G133-A136 PolarHBondContact O-N 3.48Å; G133-L137 WeakPolarHBondContact O-CB 3.23Å; G133-L137 PolarHBondContact O-N 3.15Å
134V78.9Confident74.3Confident7 Ų774 Ų744%0.04241%0.412CS..Hα-helixtrans-62.4-41.1176.2175.90000111F130 K131 L137 A138 M152 L153 I156F130-V134 HydrophobicContact CD1-CG2 4.36Å; F130-V134 HydrophobicContact CD2-CG2 4.32Å; F130-V134 HydrophobicContact CE1-CG2 4Å; F130-V134 HydrophobicContact CE2-CG2 3.95Å; F130-V134 HydrophobicContact CZ-CG2 3.82Å; F130-V134 WeakPolarHBondContact O-CG2 3.42Å; F130-V134 PolarHBondContact O-N 3.27Å; K131-V134 PolarHBondContact O-N 2.78Å; V134-L137 PolarHBondContact O-N 2.84Å; V134-A138 WeakPolarHBondContact O-CB 3.4Å; V134-A138 PolarHBondContact O-N 3.4Å; V134-M152 HydrophobicContact CG1-CB 4.06Å; V134-M152 HydrophobicContact CG1-CG 3.94Å; V134-M152 HydrophobicContact CG1-SD 3.85Å; V134-L153 HydrophobicContact CG1-CB 4.46Å; V134-L153 HydrophobicContact CG2-CD1 4.34Å; V134-I156 HydrophobicContact CG1-CD1 4.07Å
135M76.1Confident74.6Confident50 Ų5077.9 Ų77.925%0.24642%0.419CS..Hα-helixtrans-66.9-41.3175.9-76.7-71-145.200113K131 A132 G133 L137 A138 N139 Y149 M152K131-M135 WeakPolarHBondContact O-CB 3.46Å; K131-M135 VanDerWaalsContact O-CG 3.23Å; K131-M135 WeakPolarHBondContact O-CG 2.97Å; K131-M135 PolarHBondContact O-N 2.94Å; A132-M135 PolarHBondContact O-N 3.3Å; G133-M135 VanDerWaalsContact C-N 3.33Å; G133-M135 PolarHBondContact O-N 3.16Å; M135-L137 VanDerWaalsContact C-N 3.29Å; M135-L137 PolarHBondContact O-N 2.99Å; M135-A138 PolarHBondContact O-N 2.96Å; M135-N139 WeakPolarHBondContact O-CB 3.45Å; M135-N139 VanDerWaalsContact O-CG 3.29Å; M135-N139 PolarHBondContact O-N 2.9Å; M135-N139 PolarHBondContact O-ND2 3.03Å; M135-N139 VanDerWaalsContact O-ND2 3.17Å; M135-Y149 HydrophobicContact CE-CE1 3.65Å; M135-Y149 HydrophobicContact CG-CD1 4.31Å; M135-Y149 HydrophobicContact CG-CE1 3.76Å; M135-Y149 HydrophobicContact SD-CE1 4.17Å; M135-M152 HydrophobicContact SD-CE 3.98Å; M135-M152 HydrophobicContact SD-SD 4.01Å
136A79.3Confident74.8Confident59 Ų5980.1 Ų80.149%0.48843%0.425SS..Hα-helixtrans-62-42175.700000110.8A132 G133 N139 L140A132-A136 WeakPolarHBondContact O-CB 3.44Å; A132-A136 PolarHBondContact O-N 2.85Å; G133-A136 PolarHBondContact O-N 3.48Å; A136-N139 PolarHBondContact O-N 3.42Å; A136-L140 WeakPolarHBondContact O-CB 3.25Å; A136-L140 PolarHBondContact O-N 2.78Å
137L76.9Confident74.9Confident72 Ų7282.6 Ų82.638%0.37744%0.439SS..Hα-helixtrans-69.6-38178.5-148.5113.1000112.1G133 V134 M135 L140 L141 I156G133-L137 WeakPolarHBondContact O-CB 3.23Å; G133-L137 PolarHBondContact O-N 3.15Å; V134-L137 PolarHBondContact O-N 2.84Å; M135-L137 VanDerWaalsContact C-N 3.29Å; M135-L137 PolarHBondContact O-N 2.99Å; L137-L140 PolarHBondContact O-N 2.69Å; L137-L141 HydrophobicContact CD2-CD1 3.66Å; L137-L141 HydrophobicContact CG-CD1 4.17Å; L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 WeakPolarHBondContact O-CG 3.28Å; L137-L141 PolarHBondContact O-N 3.33Å; L137-I156 HydrophobicContact CB-CD1 4.13Å; L137-I156 HydrophobicContact CD2-CB 4.14Å; L137-I156 HydrophobicContact CD2-CD1 3.79Å; L137-I156 HydrophobicContact CD2-CG1 3.98Å; L137-I156 HydrophobicContact CD2-CG2 3.1Å
138A78.9Confident74.9Confident1 Ų183.6 Ų83.61%0.00844%0.444CS..Hα-helixtrans-65.7-40173.500000112.7V134 M135 L140 L141 Q142 I143 M152 I156V134-A138 WeakPolarHBondContact O-CB 3.4Å; V134-A138 PolarHBondContact O-N 3.4Å; M135-A138 PolarHBondContact O-N 2.96Å; A138-L140 VanDerWaalsContact C-N 3.35Å; A138-L141 CarbonylContact O-C 3.6Å; A138-L141 PolarHBondContact O-N 2.9Å; A138-Q142 WeakPolarHBondContact O-CA 3.25Å; A138-Q142 PolarHBondContact O-N 3.45Å; A138-I143 PolarHBondContact O-N 3.1Å; A138-M152 HydrophobicContact CB-CG 3.84Å; A138-M152 HydrophobicContact CB-SD 3.37Å; A138-M152 WeakPolarHBondContact CB-SD 3.14Å; A138-I156 HydrophobicContact CB-CD1 4.31Å
139N78.3Confident74.7Confident84 Ų8482.4 Ų82.445%0.44943%0.428SS..Hα-helixtrans-65.4-38.9173.6-72.9-37.8000111.3M135 A136 Q142 R145M135-N139 WeakPolarHBondContact O-CB 3.45Å; M135-N139 VanDerWaalsContact O-CG 3.29Å; M135-N139 PolarHBondContact O-N 2.9Å; M135-N139 PolarHBondContact O-ND2 3.03Å; M135-N139 VanDerWaalsContact O-ND2 3.17Å; A136-N139 PolarHBondContact O-N 3.42Å; N139-Q142 PolarHBondContact O-N 2.7Å; N139-R145 PolarHBondContact OD1-NH2 3.15Å
140L77.3Confident74.6Confident145 Ų14580.2 Ų80.276%0.75942%0.416SS*.Hα-helixtrans-65.1-39.9176.9-174.267.3000111.9A136 L137 A138 Q142A136-L140 WeakPolarHBondContact O-CB 3.25Å; A136-L140 PolarHBondContact O-N 2.78Å; L137-L140 PolarHBondContact O-N 2.69Å; A138-L140 VanDerWaalsContact C-N 3.35Å; L140-Q142 VanDerWaalsContact C-N 3.32Å
141L72.6Confident74.5Confident46 Ų4682.1 Ų82.124%0.24143%0.43CS..THydrogen-bonded Turntrans-88.43.1179.4-63.8163.2000113.3L137 A138 I143 I156 L159 V160 L164L137-L141 HydrophobicContact CD2-CD1 3.66Å; L137-L141 HydrophobicContact CG-CD1 4.17Å; L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 WeakPolarHBondContact O-CG 3.28Å; L137-L141 PolarHBondContact O-N 3.33Å; A138-L141 CarbonylContact O-C 3.6Å; A138-L141 PolarHBondContact O-N 2.9Å; L141-I143 VanDerWaalsContact C-N 3.27Å; L141-I143 HydrophobicContact CB-CD1 4.04Å; L141-I143 HydrophobicContact CB-CG1 4.04Å; L141-I143 HydrophobicContact CD1-CD1 4.45Å; L141-I143 PolarHBondContact O-N 2.83Å; L141-I156 HydrophobicContact CD1-CG1 4.15Å; L141-I156 HydrophobicContact CD1-CG2 4.16Å; L141-L159 HydrophobicContact CB-CD2 4.46Å; L141-L159 HydrophobicContact CD1-CD2 4.44Å; L141-L159 HydrophobicContact CD2-CD2 3.75Å; L141-L159 HydrophobicContact CG-CD2 4.43Å; L141-V160 HydrophobicContact CD1-CG2 4.5Å; L141-L164 HydrophobicContact CD2-CD1 4.23Å
142Q72.3Confident74.3Confident177 Ų17779.1 Ų79.183%0.82742%0.416SS*.THydrogen-bonded Turntrans51.337.4-177.3-60.6-163.7-26.300115A138 N139 L140A138-Q142 WeakPolarHBondContact O-CA 3.25Å; A138-Q142 PolarHBondContact O-N 3.45Å; N139-Q142 PolarHBondContact O-N 2.7Å; L140-Q142 VanDerWaalsContact C-N 3.32Å
143I74.8Confident74.1Confident31 Ų3179.4 Ų79.416%0.15941%0.409CS..PPolyproline II helixtrans-81.5142176.6-57.6171.4000109.5A138 L141 A155 I156 L159A138-I143 PolarHBondContact O-N 3.1Å; L141-I143 VanDerWaalsContact C-N 3.27Å; L141-I143 HydrophobicContact CB-CD1 4.04Å; L141-I143 HydrophobicContact CB-CG1 4.04Å; L141-I143 HydrophobicContact CD1-CD1 4.45Å; L141-I143 PolarHBondContact O-N 2.83Å; I143-A155 HydrophobicContact CG2-CB 4.42Å; I143-I156 HydrophobicContact CD1-CB 4.43Å; I143-I156 HydrophobicContact CD1-CG1 3.64Å; I143-L159 HydrophobicContact CD1-CD1 4.03Å; I143-L159 HydrophobicContact CG1-CD1 4.02Å
144Q70.3Confident74Confident152 Ų15284.1 Ų84.171%0.7142%0.419SS*.PPolyproline II helixtrans-60.6137.4175.1-69.5-64.7-47.300111.1H146Q144-H146 PolarHBondContact O-CD2 3.32Å; Q144-H146 VanDerWaalsContact O-CD2 3.28Å; Q144-H146 PolarHBondContact O-N 3.28Å
145R69.7Low73.7Confident174 Ų17485.4 Ų85.466%0.65743%0.43SS*.PPolyproline II helixtrans-72.3124.9-177.6-63.9176.9-176.8164.61.8109.3N139 M152N139-R145 PolarHBondContact OD1-NH2 3.15Å; R145-M152 HydrophobicContact CB-CE 4.43Å
146H66.6Low73.7Confident103 Ų10383.4 Ų83.448%0.47742%0.42SS..  trans-114.6149.5173.4-72.7-76.3000109.9Q144 D148 M152Q144-H146 PolarHBondContact O-CD2 3.32Å; Q144-H146 VanDerWaalsContact O-CD2 3.28Å; Q144-H146 PolarHBondContact O-N 3.28Å; H146-D148 PolarHBondContact O-N 3.21Å; H146-M152 WeakPolarHBondContact O-CE 3.42Å
147D67.4Low73.5Confident167 Ų16788.8 Ų88.889%0.89343%0.428SS*.SBendtrans-65.5-22.5-179.4-63.1-41.9000112.9
148D74.6Confident73.3Confident82 Ų8289.7 Ų89.744%0.43943%0.432SS..  trans-99.4109175.6-168.9-14.8000111.9H146 L150 V151 M152H146-D148 PolarHBondContact O-N 3.21Å; D148-L150 VanDerWaalsContact C-N 3.26Å; D148-L150 PolarHBondContact O-N 2.72Å; D148-L150 WeakPolarHBondContact OD1-CB 3.22Å; D148-L150 PolarHBondContact OD1-N 3.32Å; D148-V151 HydrophobicContact CB-CB 4.09Å; D148-V151 HydrophobicContact CB-CG2 3.87Å; D148-V151 PolarHBondContact O-N 3.39Å; D148-V151 WeakPolarHBondContact OD2-CG2 3.33Å; D148-M152 PolarHBondContact O-N 3.06Å
149Y71.1Confident72.9Confident70 Ų7092.1 Ų92.128%0.27545%0.445SS..Hα-helixtrans-64.2-26.4177.7-60.8-91.1000113.1K131 M135 L153K131-Y149 HydrophobicContact CB-CD1 4.02Å; K131-Y149 HydrophobicContact CB-CE1 3.93Å; K131-Y149 HydrophobicContact CD-CD2 4.2Å; K131-Y149 HydrophobicContact CD-CE1 4.48Å; K131-Y149 HydrophobicContact CD-CE2 4.08Å; K131-Y149 HydrophobicContact CG-CD1 4.02Å; K131-Y149 HydrophobicContact CG-CD2 4.25Å; K131-Y149 HydrophobicContact CG-CE1 4.18Å; K131-Y149 HydrophobicContact CG-CE2 4.45Å; K131-Y149 HydrophobicContact CG-CG 4.06Å; M135-Y149 HydrophobicContact CE-CE1 3.65Å; M135-Y149 HydrophobicContact CG-CD1 4.31Å; M135-Y149 HydrophobicContact CG-CE1 3.76Å; M135-Y149 HydrophobicContact SD-CE1 4.17Å; Y149-L153 WeakPolarHBondContact O-CB 3.24Å; Y149-L153 PolarHBondContact O-N 3.17Å
150L72.5Confident72.6Confident76 Ų7690.9 Ų90.940%0.39844%0.44SS..Hα-helixtrans-74.8-36.6175.5-69.1176.7000111.5V125 D148 M152 L153 K154V125-L150 HydrophobicContact CG1-CD1 4.12Å; V125-L150 HydrophobicContact CG1-CD2 3.62Å; V125-L150 HydrophobicContact CG1-CG 3.88Å; V125-L150 HydrophobicContact CG2-CD2 4.29Å; D148-L150 VanDerWaalsContact C-N 3.26Å; D148-L150 PolarHBondContact O-N 2.72Å; D148-L150 WeakPolarHBondContact OD1-CB 3.22Å; D148-L150 PolarHBondContact OD1-N 3.32Å; L150-M152 VanDerWaalsContact C-N 3.32Å; L150-L153 PolarHBondContact O-N 3.33Å; L150-K154 WeakPolarHBondContact O-CG 3.37Å; L150-K154 PolarHBondContact O-N 2.89Å
151V74.4Confident72.2Confident68 Ų6889.3 Ų89.341%0.41243%0.429SS..Hα-helixtrans-67.4-39.3172.8177.20000109.8D148 L153 K154 A155D148-V151 HydrophobicContact CB-CB 4.09Å; D148-V151 HydrophobicContact CB-CG2 3.87Å; D148-V151 PolarHBondContact O-N 3.39Å; D148-V151 WeakPolarHBondContact OD2-CG2 3.33Å; V151-L153 PolarHBondContact O-N 2.84Å; V151-K154 PolarHBondContact O-N 3.38Å; V151-A155 WeakPolarHBondContact O-CB 3.47Å; V151-A155 PolarHBondContact O-N 3.48Å
152M71.6Confident71.8Confident0 Ų092.4 Ų92.40%044%0.442CS..Hα-helixtrans-60.9-43.7172.7-168.9178.7-65.100111.8V134 M135 A138 R145 H146 D148 L150 A155 I156V134-M152 HydrophobicContact CG1-CB 4.06Å; V134-M152 HydrophobicContact CG1-CG 3.94Å; V134-M152 HydrophobicContact CG1-SD 3.85Å; M135-M152 HydrophobicContact SD-CE 3.98Å; M135-M152 HydrophobicContact SD-SD 4.01Å; A138-M152 HydrophobicContact CB-CG 3.84Å; A138-M152 HydrophobicContact CB-SD 3.37Å; A138-M152 WeakPolarHBondContact CB-SD 3.14Å; R145-M152 HydrophobicContact CB-CE 4.43Å; H146-M152 WeakPolarHBondContact O-CE 3.42Å; D148-M152 PolarHBondContact O-N 3.06Å; L150-M152 VanDerWaalsContact C-N 3.32Å; M152-A155 PolarHBondContact O-N 2.89Å; M152-I156 HydrophobicContact CG-CD1 4.22Å; M152-I156 WeakPolarHBondContact O-CB 3.38Å; M152-I156 WeakPolarHBondContact O-CD1 3.44Å; M152-I156 VanDerWaalsContact O-CG1 3.24Å; M152-I156 WeakPolarHBondContact O-CG1 3.4Å; M152-I156 PolarHBondContact O-N 3.36Å
153L74.9Confident71.2Confident64 Ų6491.8 Ų91.834%0.33543%0.432SS..Hα-helixtrans-66.6-36.4175.7-174.165.9000112.5F130 V134 Y149 L150 V151 I156 R157F130-L153 HydrophobicContact CE2-CD2 4.33Å; F130-L153 HydrophobicContact CZ-CD2 3.86Å; V134-L153 HydrophobicContact CG1-CB 4.46Å; V134-L153 HydrophobicContact CG2-CD1 4.34Å; Y149-L153 WeakPolarHBondContact O-CB 3.24Å; Y149-L153 PolarHBondContact O-N 3.17Å; L150-L153 PolarHBondContact O-N 3.33Å; V151-L153 PolarHBondContact O-N 2.84Å; L153-I156 HydrophobicContact CD1-CG2 4.4Å; L153-I156 WeakPolarHBondContact O-CB 2.93Å; L153-I156 PolarHBondContact O-N 2.9Å; L153-R157 WeakPolarHBondContact O-CB 3.33Å; L153-R157 PolarHBondContact O-N 3.46Å
154K75.3Confident70.4Confident139 Ų13995.3 Ų95.360%0.60445%0.451SS*.Hα-helixtrans-63.5-43.8172.5-76.6176.3-178.6177.60111.3L150 V151 R157 I158L150-K154 WeakPolarHBondContact O-CG 3.37Å; L150-K154 PolarHBondContact O-N 2.89Å; V151-K154 PolarHBondContact O-N 3.38Å; K154-R157 WeakPolarHBondContact O-CB 3.37Å; K154-R157 PolarHBondContact O-N 3.49Å; K154-I158 VanDerWaalsContact O-CG1 3.28Å; K154-I158 WeakPolarHBondContact O-CG1 3.47Å; K154-I158 PolarHBondContact O-N 2.92Å
155A72.1Confident69.9Low34 Ų3491 Ų9128%0.28144%0.435SS..Hα-helixtrans-62.3-43.917600000111.4I143 V151 M152 R157 I158 L159I143-A155 HydrophobicContact CG2-CB 4.42Å; V151-A155 WeakPolarHBondContact O-CB 3.47Å; V151-A155 PolarHBondContact O-N 3.48Å; M152-A155 PolarHBondContact O-N 2.89Å; A155-R157 VanDerWaalsContact C-N 3.34Å; A155-R157 PolarHBondContact O-N 3.42Å; A155-I158 PolarHBondContact O-N 3.24Å; A155-L159 WeakPolarHBondContact O-CB 3.41Å; A155-L159 PolarHBondContact O-N 3.42Å
156I75.8Confident69.2Low7 Ų791.1 Ų91.14%0.03644%0.443CS..Hα-helixtrans-55.8-49.1171.4-76.5164.4000110.8V134 L137 A138 L141 I143 M152 L153 I158 L159 V160V134-I156 HydrophobicContact CG1-CD1 4.07Å; L137-I156 HydrophobicContact CB-CD1 4.13Å; L137-I156 HydrophobicContact CD2-CB 4.14Å; L137-I156 HydrophobicContact CD2-CD1 3.79Å; L137-I156 HydrophobicContact CD2-CG1 3.98Å; L137-I156 HydrophobicContact CD2-CG2 3.1Å; A138-I156 HydrophobicContact CB-CD1 4.31Å; L141-I156 HydrophobicContact CD1-CG1 4.15Å; L141-I156 HydrophobicContact CD1-CG2 4.16Å; I143-I156 HydrophobicContact CD1-CB 4.43Å; I143-I156 HydrophobicContact CD1-CG1 3.64Å; M152-I156 HydrophobicContact CG-CD1 4.22Å; M152-I156 WeakPolarHBondContact O-CB 3.38Å; M152-I156 WeakPolarHBondContact O-CD1 3.44Å; M152-I156 VanDerWaalsContact O-CG1 3.24Å; M152-I156 WeakPolarHBondContact O-CG1 3.4Å; M152-I156 PolarHBondContact O-N 3.36Å; L153-I156 HydrophobicContact CD1-CG2 4.4Å; L153-I156 WeakPolarHBondContact O-CB 2.93Å; L153-I156 PolarHBondContact O-N 2.9Å; I156-I158 PolarHBondContact O-N 2.94Å; I156-L159 PolarHBondContact O-N 2.95Å; I156-V160 HydrophobicContact CG2-CG2 4.36Å; I156-V160 WeakPolarHBondContact O-CB 3.35Å; I156-V160 VanDerWaalsContact O-CG2 3.25Å; I156-V160 WeakPolarHBondContact O-CG2 3.33Å; I156-V160 PolarHBondContact O-N 2.94Å
157R76.4Confident68.7Low173 Ų17392 Ų9265%0.65345%0.451SS*.Hα-helixtrans-60.3-47-179.7176-174.9171.5-177.60.6110.9L153 K154 A155 L159 V160 Q161L153-R157 WeakPolarHBondContact O-CB 3.33Å; L153-R157 PolarHBondContact O-N 3.46Å; K154-R157 WeakPolarHBondContact O-CB 3.37Å; K154-R157 PolarHBondContact O-N 3.49Å; A155-R157 VanDerWaalsContact C-N 3.34Å; A155-R157 PolarHBondContact O-N 3.42Å; R157-L159 VanDerWaalsContact C-N 3.32Å; R157-V160 PolarHBondContact O-N 2.97Å; R157-Q161 WeakPolarHBondContact O-CB 3.46Å; R157-Q161 PolarHBondContact O-N 2.96Å
158I72.7Confident68Low90 Ų9084.9 Ų84.946%0.46242%0.415SS..Hα-helixtrans-60.3-46.5178.3-68.3164.1000109.5K154 A155 I156 V160 Q161 E162K154-I158 VanDerWaalsContact O-CG1 3.28Å; K154-I158 WeakPolarHBondContact O-CG1 3.47Å; K154-I158 PolarHBondContact O-N 2.92Å; A155-I158 PolarHBondContact O-N 3.24Å; I156-I158 PolarHBondContact O-N 2.94Å; I158-V160 PolarHBondContact O-N 3.42Å; I158-Q161 CarbonylContact O-C 3.41Å; I158-Q161 PolarHBondContact O-N 3.46Å; I158-Q161 VanDerWaalsContact O-N 3.15Å; I158-E162 HydrophobicContact CG2-CG 4.22Å; I158-E162 WeakPolarHBondContact O-CB 3.43Å; I158-E162 WeakPolarHBondContact O-CG 3.38Å; I158-E162 PolarHBondContact O-N 3.27Å
159L70.3Confident67.2Low53 Ų5383.9 Ų83.928%0.27741%0.412SS..Hα-helixtrans-64.2-43.1-179.7-167.9150.6000112.1L141 I143 A155 I156 R157 Q161 E162 R163L141-L159 HydrophobicContact CB-CD2 4.46Å; L141-L159 HydrophobicContact CD1-CD2 4.44Å; L141-L159 HydrophobicContact CD2-CD2 3.75Å; L141-L159 HydrophobicContact CG-CD2 4.43Å; I143-L159 HydrophobicContact CD1-CD1 4.03Å; I143-L159 HydrophobicContact CG1-CD1 4.02Å; A155-L159 WeakPolarHBondContact O-CB 3.41Å; A155-L159 PolarHBondContact O-N 3.42Å; I156-L159 PolarHBondContact O-N 2.95Å; R157-L159 VanDerWaalsContact C-N 3.32Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 2.93Å; L159-E162 PolarHBondContact O-N 3.33Å; L159-R163 VanDerWaalsContact O-CB 3.28Å; L159-R163 WeakPolarHBondContact O-CB 3.49Å; L159-R163 PolarHBondContact O-N 3.46Å
160V72.9Confident66.5Low57 Ų5782.8 Ų82.835%0.34542%0.418SS..Hα-helixtrans-62.5-42173.8172.10000110.4L141 I156 R157 I158 L164 T165L141-V160 HydrophobicContact CD1-CG2 4.5Å; I156-V160 HydrophobicContact CG2-CG2 4.36Å; I156-V160 WeakPolarHBondContact O-CB 3.35Å; I156-V160 VanDerWaalsContact O-CG2 3.25Å; I156-V160 WeakPolarHBondContact O-CG2 3.33Å; I156-V160 PolarHBondContact O-N 2.94Å; R157-V160 PolarHBondContact O-N 2.97Å; I158-V160 PolarHBondContact O-N 3.42Å; V160-L164 HydrophobicContact CB-CD1 4.37Å; V160-L164 HydrophobicContact CG1-CB 4.07Å; V160-L164 HydrophobicContact CG1-CD1 4.49Å; V160-L164 HydrophobicContact CG2-CD1 3.91Å; V160-L164 CarbonylContact O-C 3.55Å; V160-L164 VanDerWaalsContact O-CA 3.31Å; V160-L164 WeakPolarHBondContact O-CA 3.46Å; V160-L164 WeakPolarHBondContact O-CB 3.49Å; V160-L164 PolarHBondContact O-N 2.88Å; V160-T165 PolarHBondContact O-N 2.88Å; V160-T165 VanDerWaalsContact O-N 3.1Å; V160-T165 PolarHBondContact O-OG1 3.41Å
161Q68.3Low65.8Low113 Ų11386.5 Ų86.553%0.52843%0.431SS..Hα-helixtrans-67-39.5-180-167.6169.9-18.800112.1R157 I158 L159 T165R157-Q161 WeakPolarHBondContact O-CB 3.46Å; R157-Q161 PolarHBondContact O-N 2.96Å; I158-Q161 CarbonylContact O-C 3.41Å; I158-Q161 PolarHBondContact O-N 3.46Å; I158-Q161 VanDerWaalsContact O-N 3.15Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 2.93Å; Q161-T165 VanDerWaalsContact C-OG1 3.3Å; Q161-T165 VanDerWaalsContact CA-OG1 3.22Å; Q161-T165 WeakPolarHBondContact CA-OG1 3.45Å; Q161-T165 WeakPolarHBondContact O-CB 3.24Å; Q161-T165 PolarHBondContact O-OG1 3.2Å
162E63.6Low64.7Low110 Ų11086.9 Ų86.951%0.51444%0.441SS..Hα-helixtrans-84.7-18.7-177.8-73.9-175.3179.500115I158 L159 A168I158-E162 HydrophobicContact CG2-CG 4.22Å; I158-E162 WeakPolarHBondContact O-CB 3.43Å; I158-E162 WeakPolarHBondContact O-CG 3.38Å; I158-E162 PolarHBondContact O-N 3.27Å; L159-E162 PolarHBondContact O-N 3.33Å; E162-A168 VanDerWaalsContact O-CB 3.25Å; E162-A168 WeakPolarHBondContact O-CB 3.37Å
163R59.5Low63.9Low165 Ų16592.9 Ų92.962%0.62347%0.473SS*.Hα-helixtrans-126.3-25.5-174.4-61.3-67.4177.7-100.3-0.9114.9L159L159-R163 VanDerWaalsContact O-CB 3.28Å; L159-R163 WeakPolarHBondContact O-CB 3.49Å; L159-R163 PolarHBondContact O-N 3.46Å
164L59Low62.8Low105 Ų10596.4 Ų96.455%0.5549%0.488SS..THydrogen-bonded Turntrans-117.4-6-171.2-72155.5000113.8L141 V160L141-L164 HydrophobicContact CD2-CD1 4.23Å; V160-L164 HydrophobicContact CB-CD1 4.37Å; V160-L164 HydrophobicContact CG1-CB 4.07Å; V160-L164 HydrophobicContact CG1-CD1 4.49Å; V160-L164 HydrophobicContact CG2-CD1 3.91Å; V160-L164 CarbonylContact O-C 3.55Å; V160-L164 VanDerWaalsContact O-CA 3.31Å; V160-L164 WeakPolarHBondContact O-CA 3.46Å; V160-L164 WeakPolarHBondContact O-CB 3.49Å; V160-L164 PolarHBondContact O-N 2.88Å
165T59.8Low61.4Low62 Ų6295.8 Ų95.838%0.3850%0.496SS..SBendtrans-70.4148.5170.4-41.30000110.5V160 Q161 D167 A168 V169V160-T165 PolarHBondContact O-N 2.88Å; V160-T165 VanDerWaalsContact O-N 3.1Å; V160-T165 PolarHBondContact O-OG1 3.41Å; Q161-T165 VanDerWaalsContact C-OG1 3.3Å; Q161-T165 VanDerWaalsContact CA-OG1 3.22Å; Q161-T165 WeakPolarHBondContact CA-OG1 3.45Å; Q161-T165 WeakPolarHBondContact O-CB 3.24Å; Q161-T165 PolarHBondContact O-OG1 3.2Å; T165-D167 PolarHBondContact O-N 2.89Å; T165-D167 VanDerWaalsContact O-N 3.14Å; T165-A168 WeakPolarHBondContact O-CA 3.32Å; T165-A168 WeakPolarHBondContact O-CB 3.42Å; T165-A168 PolarHBondContact O-N 3.13Å; T165-V169 PolarHBondContact O-N 3.11Å
166Q55.2Low60.4Low175 Ų175102 Ų10282%0.81852%0.517SS*.Hα-helixtrans-54.6-35.3-177.7-139166.4-300112.9A170Q166-A170 VanDerWaalsContact O-CB 3.25Å; Q166-A170 WeakPolarHBondContact O-CB 3.34Å; Q166-A170 PolarHBondContact O-N 3.17Å
167D55.2Low58.9Low122 Ų122111.5 Ų111.565%0.65256%0.561SS**Hα-helixtrans-68.5-35.6172.2-84.1-20.7000113.8T165 K171T165-D167 PolarHBondContact O-N 2.89Å; T165-D167 VanDerWaalsContact O-N 3.14Å; D167-K171 VanDerWaalsContact O-CB 3.31Å; D167-K171 WeakPolarHBondContact O-CB 3.38Å; D167-K171 VanDerWaalsContact O-CG 3.25Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 3.06Å
168A51.8Low57.7Low17 Ų17105.9 Ų105.914%0.1456%0.556CS.*Hα-helixtrans-73.7-38.6177.500000111.6E162 T165 K171 A172E162-A168 VanDerWaalsContact O-CB 3.25Å; E162-A168 WeakPolarHBondContact O-CB 3.37Å; T165-A168 WeakPolarHBondContact O-CA 3.32Å; T165-A168 WeakPolarHBondContact O-CB 3.42Å; T165-A168 PolarHBondContact O-N 3.13Å; A168-K171 PolarHBondContact O-N 3.21Å; A168-A172 VanDerWaalsContact O-CB 3.25Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.47Å
169V58.1Low56.7Low62 Ų62109.2 Ų109.238%0.37657%0.574SS.*Hα-helixtrans-66.9-39172.91780000110.5T165 A172 N173T165-V169 PolarHBondContact O-N 3.11Å; V169-A172 PolarHBondContact O-N 3.42Å; V169-N173 VanDerWaalsContact O-CB 3.3Å; V169-N173 WeakPolarHBondContact O-CB 3.17Å; V169-N173 PolarHBondContact O-N 2.84Å; V169-N173 PolarHBondContact O-ND2 2.8Å
170A56.8Low55.8Low47 Ų47112.8 Ų112.839%0.38860%0.601SS.*Hα-helixtrans-65.2-42.3173.100000112.4Q166 N173 Q174Q166-A170 VanDerWaalsContact O-CB 3.25Å; Q166-A170 WeakPolarHBondContact O-CB 3.34Å; Q166-A170 PolarHBondContact O-N 3.17Å; A170-N173 PolarHBondContact O-N 2.89Å; A170-Q174 WeakPolarHBondContact O-CG 3.2Å; A170-Q174 PolarHBondContact O-N 3.34Å
171K57.9Low55Low154 Ų154115 Ų11567%0.6761%0.614SS**Hα-helixtrans-70-28.1175.1-76.8177.8-180-178.80113.8D167 A168D167-K171 VanDerWaalsContact O-CB 3.31Å; D167-K171 WeakPolarHBondContact O-CB 3.38Å; D167-K171 VanDerWaalsContact O-CG 3.25Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 3.06Å; A168-K171 PolarHBondContact O-N 3.21Å
172A52Low54.5Low76 Ų76111.7 Ų111.763%0.62861%0.606SS**Hα-helixtrans-77.5-33.5173.700000112.2A168 V169A168-A172 VanDerWaalsContact O-CB 3.25Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.47Å; V169-A172 PolarHBondContact O-N 3.42Å
173N53.9Low54.1Low126 Ų126110 Ų11067%0.67460%0.6SS**Hα-helixtrans-78.6-25.2175.3-72.7-22.7000113V169 A170 T175V169-N173 VanDerWaalsContact O-CB 3.3Å; V169-N173 WeakPolarHBondContact O-CB 3.17Å; V169-N173 PolarHBondContact O-N 2.84Å; V169-N173 PolarHBondContact O-ND2 2.8Å; A170-N173 PolarHBondContact O-N 2.89Å; N173-T175 PolarHBondContact O-N 3.28Å
174Q52.1Low54Low138 Ų138109.6 Ų109.665%0.64561%0.61SS**SBendtrans-69.299.8159.3-74.4177.311.100107.1A170 K176A170-Q174 WeakPolarHBondContact O-CG 3.2Å; A170-Q174 PolarHBondContact O-N 3.34Å; Q174-K176 PolarHBondContact O-N 3.48Å
175T45.4Very low54Low125 Ų125113 Ų11377%0.76762%0.62SS**  trans-45.5115.2169.2-39.30000107.1N173 E177N173-T175 PolarHBondContact O-N 3.28Å; T175-E177 PolarHBondContact O-N 2.9Å
176K52.2Low54Low166 Ų166111.9 Ų111.972%0.72261%0.611SS**  trans-48.4103.7178.7-77.5-172.5172.8-167.30107.2Q174 G178 E210Q174-K176 PolarHBondContact O-N 3.48Å; K176-G178 PolarHBondContact O-N 3.46Å; K176-E210 IonicContact NZ-OE1 3.17Å; K176-E210 PolarHBondContact NZ-OE1 3.42Å; K176-E210 VanDerWaalsContact NZ-OE1 3.17Å
177E44.3Very low54.3Low206 Ų206110.4 Ų110.496%0.96361%0.607SS**  trans-70.379.4169.5-79.2-166.5155.700106.9T175T175-E177 PolarHBondContact O-N 2.9Å
178G50.9Low54.6Low54 Ų54105.5 Ų105.556%0.55758%0.581SS**SBendtrans-146.1130.7171.800000106.8K176K176-G178 PolarHBondContact O-N 3.46Å
179L51.4Low55.2Low161 Ų161108 Ų10884%0.84361%0.609SS**  trans-51134.5171.3-79.3105.3000108.6V181L179-V181 PolarHBondContact O-N 2.84Å
180P52Low55.6Low128 Ų128110.6 Ų110.683%0.83162%0.615SS**  trans-57.8108.6175.922.6-31.1000108.2A182P180-A182 PolarHBondContact O-N 3.44Å
181V55.2Low56.2Low103 Ų103114.3 Ų114.362%0.62463%0.628SS**  trans-74.7101.3175.5-179.90000105.8L179 L183 L206L179-V181 PolarHBondContact O-N 2.84Å; V181-L183 PolarHBondContact O-N 3.21Å; V181-L206 HydrophobicContact CG1-CD2 4.44Å
182A57.4Low56.6Low43 Ų43110.4 Ų110.436%0.35562%0.617SS.*  trans-60.3120.217000000108.1P180 D184 K185P180-A182 PolarHBondContact O-N 3.44Å; A182-D184 PolarHBondContact O-N 3.46Å; A182-D184 VanDerWaalsContact O-N 3.15Å; A182-K185 HydrophobicContact CB-CG 4.5Å; A182-K185 PolarHBondContact O-N 2.88Å
183L56.3Low57.3Low76 Ų76110.1 Ų110.140%0.39862%0.622SS.*G310 helixtrans-47.8-41.3175.9-76.1150.6000109.9V181 K185 H186 Q202 I203 L206V181-L183 PolarHBondContact O-N 3.21Å; L183-K185 PolarHBondContact O-N 3.17Å; L183-H186 PolarHBondContact O-N 3.31Å; L183-Q202 PolarHBondContact O-NE2 3.38Å; L183-Q202 PolarHBondContact O-OE1 2.93Å; L183-I203 HydrophobicContact CD2-CG1 3.93Å; L183-L206 HydrophobicContact CD2-CD1 3.58Å
184D57.3Low58.4Low155 Ų155107.9 Ų107.983%0.82961%0.61SS**G310 helixtrans-55.2-20.4-179.3-47.2-30.5000115.8A182A182-D184 PolarHBondContact O-N 3.46Å; A182-D184 VanDerWaalsContact O-N 3.15Å
185K57.8Low59.5Low177 Ų177104.6 Ų104.677%0.7761%0.606SS**G310 helixtrans-95.1-7.3-177.5-68.9-176.4179.7177.90114.1A182 L183 I187A182-K185 HydrophobicContact CB-CG 4.5Å; A182-K185 PolarHBondContact O-N 2.88Å; L183-K185 PolarHBondContact O-N 3.17Å; K185-I187 PolarHBondContact O-N 2.69Å
186H60.8Low61Low39 Ų39103.4 Ų103.418%0.18160%0.598CS.*SBendtrans-92.8104.2-173.7-168.1-81.1000111.9L183 L188 Q202L183-H186 PolarHBondContact O-N 3.31Å; H186-L188 PolarHBondContact O-N 2.86Å; H186-L188 VanDerWaalsContact O-N 3.1Å; H186-Q202 HydrophobicContact CB-CG 4.19Å; H186-Q202 PolarHBondContact O-NE2 3.22Å
187I60.5Low62.2Low143 Ų14399.9 Ų99.973%0.73359%0.587SS**  trans-68112.7-175-53.1169000110.1K185 G189 R205K185-I187 PolarHBondContact O-N 2.69Å; I187-G189 PolarHBondContact O-N 3.4Å; I187-R205 PolarHBondContact O-NH1 3.45Å
188L62.3Low63.6Low19 Ų1991.8 Ų91.810%0.09955%0.551CS.*  trans-62.5-26.9-178.4-158.170.2000112.2H186 F190 N198 A201 Q202 R205H186-L188 PolarHBondContact O-N 2.86Å; H186-L188 VanDerWaalsContact O-N 3.1Å; L188-F190 HydrophobicContact CD1-CZ 4.4Å; L188-F190 HydrophobicContact CD2-CD2 4.29Å; L188-F190 HydrophobicContact CD2-CE2 4Å; L188-F190 HydrophobicContact CD2-CZ 4.31Å; L188-F190 WeakPolarHBondContact CD2-O 3.38Å; L188-F190 HydrophobicContact CG-CD1 4.47Å; L188-F190 HydrophobicContact CG-CD2 4.47Å; L188-F190 HydrophobicContact CG-CE1 4.17Å; L188-F190 HydrophobicContact CG-CE2 4.18Å; L188-F190 HydrophobicContact CG-CZ 4.02Å; L188-F190 WeakPolarHBondContact O-CD1 3.42Å; L188-F190 WeakPolarHBondContact O-CE1 3.49Å; L188-F190 PolarHBondContact O-N 2.93Å; L188-F190 VanDerWaalsContact O-N 3.11Å; L188-N198 HydrophobicContact CD2-CB 3.81Å; L188-N198 WeakPolarHBondContact CD2-O 3.31Å; L188-A201 VanDerWaalsContact CD1-C 3.49Å; L188-A201 HydrophobicContact CD1-CB 3.91Å; L188-A201 HydrophobicContact CD2-CB 3.93Å; L188-A201 HydrophobicContact CG-CB 4.4Å; L188-Q202 HydrophobicContact CD1-CB 3.71Å; L188-Q202 HydrophobicContact CD1-CG 4.23Å; L188-R205 PolarHBondContact O-NH1 3.15Å
189G64Low64.7Low71 Ų7195 Ų9573%0.73255%0.551SS**SBendtrans74.3-10.7175.100000114.1I187I187-G189 PolarHBondContact O-N 3.4Å
190F66.9Low65.9Low116 Ų11689.9 Ų89.951%0.50953%0.532SS..SBendtrans-139.3151.1169.358.4-89000108.6L188 A201L188-F190 HydrophobicContact CD1-CZ 4.4Å; L188-F190 HydrophobicContact CD2-CD2 4.29Å; L188-F190 HydrophobicContact CD2-CE2 4Å; L188-F190 HydrophobicContact CD2-CZ 4.31Å; L188-F190 WeakPolarHBondContact CD2-O 3.38Å; L188-F190 HydrophobicContact CG-CD1 4.47Å; L188-F190 HydrophobicContact CG-CD2 4.47Å; L188-F190 HydrophobicContact CG-CE1 4.17Å; L188-F190 HydrophobicContact CG-CE2 4.18Å; L188-F190 HydrophobicContact CG-CZ 4.02Å; L188-F190 WeakPolarHBondContact O-CD1 3.42Å; L188-F190 WeakPolarHBondContact O-CE1 3.49Å; L188-F190 PolarHBondContact O-N 2.93Å; L188-F190 VanDerWaalsContact O-N 3.11Å; F190-A201 HydrophobicContact CE2-CB 4.04Å; F190-A201 HydrophobicContact CZ-CB 4Å
191D70.1Confident67.1Low125 Ų12584.8 Ų84.867%0.66850%0.5SS*.  trans-116.2122.1176.2-177.28.8000108.4G193 N198D191-G193 VanDerWaalsContact C-N 3.31Å; D191-G193 PolarHBondContact OD1-N 3Å; D191-N198 PolarHBondContact OD1-ND2 3.5Å
192T64.9Low68Low71 Ų7181.1 Ų81.144%0.43648%0.476SS..  trans-88.1-2179.3-7.70000112.3D194 L197 N198T192-D194 VanDerWaalsContact C-N 3.25Å; T192-D194 PolarHBondContact O-N 3.45Å; T192-L197 HydrophobicContact CG2-CD2 3.95Å; T192-N198 WeakPolarHBondContact CB-OD1 3.28Å; T192-N198 PolarHBondContact N-OD1 2.96Å; T192-N198 PolarHBondContact OG1-OD1 3.29Å
193G68.5Low69.1Low70 Ų7083.6 Ų83.672%0.72248%0.483SS*.SBendtrans80.8-5.2177.800000115.1D191D191-G193 VanDerWaalsContact C-N 3.31Å; D191-G193 PolarHBondContact OD1-N 3Å
194D76.3Confident70.2Confident80 Ų8085.7 Ų85.743%0.42849%0.494SS..  trans-125.7127.8175.8-1781.2000109.7T192 V196 L197 N198T192-D194 VanDerWaalsContact C-N 3.25Å; T192-D194 PolarHBondContact O-N 3.45Å; D194-V196 VanDerWaalsContact C-N 3.33Å; D194-V196 PolarHBondContact O-N 3.4Å; D194-V196 PolarHBondContact OD1-N 2.91Å; D194-L197 HydrophobicContact CB-CB 3.99Å; D194-L197 PolarHBondContact O-N 3.39Å; D194-N198 WeakPolarHBondContact O-CB 3.25Å; D194-N198 VanDerWaalsContact O-CG 3.29Å; D194-N198 PolarHBondContact O-N 3.45Å; D194-N198 PolarHBondContact O-ND2 2.93Å
195A74.7Confident71.2Confident68 Ų6883.3 Ų83.356%0.56247%0.473SS*.Hα-helixtrans-61.9-39.6-176.300000112.1L197 N198 E199A195-L197 VanDerWaalsContact C-N 3.34Å; A195-L197 PolarHBondContact O-N 3.16Å; A195-N198 PolarHBondContact O-N 2.96Å; A195-E199 WeakPolarHBondContact O-CG 3.45Å; A195-E199 PolarHBondContact O-N 3.26Å
196V76.2Confident72.2Confident100 Ų10077.1 Ų77.161%0.60645%0.448SS*.Hα-helixtrans-68.7-37.8179.9-178.60000110.8D194 E199 A200D194-V196 VanDerWaalsContact C-N 3.33Å; D194-V196 PolarHBondContact O-N 3.4Å; D194-V196 PolarHBondContact OD1-N 2.91Å; V196-E199 PolarHBondContact O-N 3.49Å; V196-A200 WeakPolarHBondContact O-CB 3.47Å; V196-A200 PolarHBondContact O-N 2.89Å
197L77.8Confident73Confident93 Ų9379.4 Ų79.449%0.48746%0.461SS..Hα-helixtrans-71.9-36.5179.2-133.873.6000111.7T192 D194 A195 A200 A201T192-L197 HydrophobicContact CG2-CD2 3.95Å; D194-L197 HydrophobicContact CB-CB 3.99Å; D194-L197 PolarHBondContact O-N 3.39Å; A195-L197 VanDerWaalsContact C-N 3.34Å; A195-L197 PolarHBondContact O-N 3.16Å; L197-A200 PolarHBondContact O-N 2.91Å; L197-A201 VanDerWaalsContact O-CB 3.28Å; L197-A201 WeakPolarHBondContact O-CB 3.28Å; L197-A201 PolarHBondContact O-N 3.34Å
198N74.6Confident74Confident36 Ų3677.1 Ų77.119%0.19345%0.447CS..Hα-helixtrans-64.8-42.7173.6-74.2-18.1000111.9L188 D191 T192 D194 A195 A201 Q202L188-N198 HydrophobicContact CD2-CB 3.81Å; L188-N198 WeakPolarHBondContact CD2-O 3.31Å; D191-N198 PolarHBondContact OD1-ND2 3.5Å; T192-N198 WeakPolarHBondContact CB-OD1 3.28Å; T192-N198 PolarHBondContact N-OD1 2.96Å; T192-N198 PolarHBondContact OG1-OD1 3.29Å; D194-N198 WeakPolarHBondContact O-CB 3.25Å; D194-N198 VanDerWaalsContact O-CG 3.29Å; D194-N198 PolarHBondContact O-N 3.45Å; D194-N198 PolarHBondContact O-ND2 2.93Å; A195-N198 PolarHBondContact O-N 2.96Å; N198-A201 PolarHBondContact O-N 3.29Å; N198-Q202 WeakPolarHBondContact O-CB 3.32Å; N198-Q202 PolarHBondContact O-N 3.33Å
199E73.5Confident74.9Confident121 Ų12179.8 Ų79.857%0.56546%0.461SS*.Hα-helixtrans-62.3-46.3174.1-75.2178.4-171.800111.6A195 V196 A201 Q202 I203A195-E199 WeakPolarHBondContact O-CG 3.45Å; A195-E199 PolarHBondContact O-N 3.26Å; V196-E199 PolarHBondContact O-N 3.49Å; E199-A201 VanDerWaalsContact C-N 3.34Å; E199-A201 PolarHBondContact O-N 3.5Å; E199-Q202 VanDerWaalsContact O-CB 3.32Å; E199-Q202 WeakPolarHBondContact O-CB 3.47Å; E199-Q202 PolarHBondContact O-N 3.29Å; E199-Q202 VanDerWaalsContact O-N 3.1Å; E199-I203 WeakPolarHBondContact O-CG1 3.24Å; E199-I203 PolarHBondContact O-N 3.49Å
200A77.9Confident75.6Confident54 Ų5481.2 Ų81.245%0.44645%0.449SS..Hα-helixtrans-61.2-42.117700000112.1V196 L197 Q202 I203 L204V196-A200 WeakPolarHBondContact O-CB 3.47Å; V196-A200 PolarHBondContact O-N 2.89Å; L197-A200 PolarHBondContact O-N 2.91Å; A200-Q202 VanDerWaalsContact C-N 3.28Å; A200-Q202 PolarHBondContact O-N 2.9Å; A200-I203 PolarHBondContact O-N 3.38Å; A200-L204 WeakPolarHBondContact O-CB 3.47Å; A200-L204 PolarHBondContact O-N 3Å
201A76.3Confident76.2Confident20 Ų2080.9 Ų80.917%0.16545%0.449CS..Hα-helixtrans-65.2-33.1175.400000112.1L188 F190 L197 N198 E199 L204 R205L188-A201 VanDerWaalsContact CD1-C 3.49Å; L188-A201 HydrophobicContact CD1-CB 3.91Å; L188-A201 HydrophobicContact CD2-CB 3.93Å; L188-A201 HydrophobicContact CG-CB 4.4Å; F190-A201 HydrophobicContact CE2-CB 4.04Å; F190-A201 HydrophobicContact CZ-CB 4Å; L197-A201 VanDerWaalsContact O-CB 3.28Å; L197-A201 WeakPolarHBondContact O-CB 3.28Å; L197-A201 PolarHBondContact O-N 3.34Å; N198-A201 PolarHBondContact O-N 3.29Å; E199-A201 VanDerWaalsContact C-N 3.34Å; E199-A201 PolarHBondContact O-N 3.5Å; A201-L204 PolarHBondContact O-N 2.94Å; A201-R205 WeakPolarHBondContact O-CB 3.23Å; A201-R205 PolarHBondContact O-N 2.81Å
202Q74.1Confident76.7Confident26 Ų2679.2 Ų79.212%0.12144%0.439CS..Hα-helixtrans-67.3-45.7176.7-162179.744.300111.2L183 H186 L188 N198 E199 A200 L204 R205 L206L183-Q202 PolarHBondContact O-NE2 3.38Å; L183-Q202 PolarHBondContact O-OE1 2.93Å; H186-Q202 HydrophobicContact CB-CG 4.19Å; H186-Q202 PolarHBondContact O-NE2 3.22Å; L188-Q202 HydrophobicContact CD1-CB 3.71Å; L188-Q202 HydrophobicContact CD1-CG 4.23Å; N198-Q202 WeakPolarHBondContact O-CB 3.32Å; N198-Q202 PolarHBondContact O-N 3.33Å; E199-Q202 VanDerWaalsContact O-CB 3.32Å; E199-Q202 WeakPolarHBondContact O-CB 3.47Å; E199-Q202 PolarHBondContact O-N 3.29Å; E199-Q202 VanDerWaalsContact O-N 3.1Å; A200-Q202 VanDerWaalsContact C-N 3.28Å; A200-Q202 PolarHBondContact O-N 2.9Å; Q202-L204 VanDerWaalsContact C-N 3.35Å; Q202-R205 PolarHBondContact O-N 3.04Å; Q202-L206 WeakPolarHBondContact O-CG 3.28Å; Q202-L206 PolarHBondContact O-N 2.9Å
203I79.6Confident77.5Confident96 Ų9684.2 Ų84.249%0.49245%0.45SS..Hα-helixtrans-60.9-46175-65.4166.2000109.9L183 E199 A200 R205 L206 L207L183-I203 HydrophobicContact CD2-CG1 3.93Å; E199-I203 WeakPolarHBondContact O-CG1 3.24Å; E199-I203 PolarHBondContact O-N 3.49Å; A200-I203 PolarHBondContact O-N 3.38Å; I203-R205 VanDerWaalsContact C-N 3.31Å; I203-R205 PolarHBondContact O-N 2.92Å; I203-L206 PolarHBondContact O-N 3.29Å; I203-L207 WeakPolarHBondContact O-CB 3.37Å; I203-L207 PolarHBondContact O-N 2.87Å
204L80.6Confident78Confident120 Ų12085.9 Ų85.963%0.62844%0.439SS*.Hα-helixtrans-60.9-40.3178.7-171.667.3000111.8A200 A201 Q202 L207 H208A200-L204 WeakPolarHBondContact O-CB 3.47Å; A200-L204 PolarHBondContact O-N 3Å; A201-L204 PolarHBondContact O-N 2.94Å; Q202-L204 VanDerWaalsContact C-N 3.35Å; L204-L207 PolarHBondContact O-N 3.25Å; L204-H208 WeakPolarHBondContact O-CB 3.47Å; L204-H208 PolarHBondContact O-N 2.97Å
205R77.9Confident78.4Confident105 Ų10586.6 Ų86.640%0.39644%0.442SS..Hα-helixtrans-67.6-39.2176.9-175.2165.4175.1-159.2-7.4112.4I187 L188 A201 Q202 I203 H208 I209I187-R205 PolarHBondContact O-NH1 3.45Å; L188-R205 PolarHBondContact O-NH1 3.15Å; A201-R205 WeakPolarHBondContact O-CB 3.23Å; A201-R205 PolarHBondContact O-N 2.81Å; Q202-R205 PolarHBondContact O-N 3.04Å; I203-R205 VanDerWaalsContact C-N 3.31Å; I203-R205 PolarHBondContact O-N 2.92Å; R205-H208 PolarHBondContact O-N 3.46Å; R205-I209 HydrophobicContact CG-CD1 4.37Å; R205-I209 VanDerWaalsContact O-CG1 3.29Å; R205-I209 WeakPolarHBondContact O-CG1 3.37Å; R205-I209 PolarHBondContact O-N 3.07Å
206L77.7Confident78.6Confident46 Ų4689 Ų8924%0.24144%0.442CS..Hα-helixtrans-64.5-42.8174.1-73170.6000111.7V181 L183 Q202 I203 H208 I209 E210V181-L206 HydrophobicContact CG1-CD2 4.44Å; L183-L206 HydrophobicContact CD2-CD1 3.58Å; Q202-L206 WeakPolarHBondContact O-CG 3.28Å; Q202-L206 PolarHBondContact O-N 2.9Å; I203-L206 PolarHBondContact O-N 3.29Å; L206-H208 VanDerWaalsContact C-N 3.31Å; L206-H208 PolarHBondContact O-N 3.05Å; L206-I209 PolarHBondContact O-N 3.15Å; L206-E210 PolarHBondContact O-N 2.86Å
207L79.6Confident79Confident87 Ų8787.4 Ų87.446%0.45543%0.433SS..Hα-helixtrans-60.9-42.7174.8-172.966.5000111I203 L204 I209 E210 E211I203-L207 WeakPolarHBondContact O-CB 3.37Å; I203-L207 PolarHBondContact O-N 2.87Å; L204-L207 PolarHBondContact O-N 3.25Å; L207-I209 VanDerWaalsContact C-N 3.33Å; L207-I209 PolarHBondContact O-N 2.9Å; L207-E210 WeakPolarHBondContact O-CB 3.42Å; L207-E210 PolarHBondContact O-N 3.41Å; L207-E210 VanDerWaalsContact O-N 3.13Å; L207-E211 PolarHBondContact O-N 3.13Å
208H80.5Confident79.3Confident96 Ų9688.3 Ų88.344%0.44443%0.433SS..Hα-helixtrans-63.6-36.6176.3-172.456.6000112.9L204 R205 L206 E210 E211 L212L204-H208 WeakPolarHBondContact O-CB 3.47Å; L204-H208 PolarHBondContact O-N 2.97Å; R205-H208 PolarHBondContact O-N 3.46Å; L206-H208 VanDerWaalsContact C-N 3.31Å; L206-H208 PolarHBondContact O-N 3.05Å; H208-E210 VanDerWaalsContact C-N 3.32Å; H208-E211 IonicContact ND1-OE2 3.49Å; H208-E211 PolarHBondContact ND1-OE2 3.36Å; H208-E211 PolarHBondContact O-N 2.96Å; H208-L212 WeakPolarHBondContact O-CG 3.39Å; H208-L212 PolarHBondContact O-N 2.97Å
209I81.6Confident79.9Confident74 Ų7490.8 Ų90.838%0.37945%0.445SS..Hα-helixtrans-65.2-37.9173.8-69163.9000111R205 L206 L207 L212 R213R205-I209 HydrophobicContact CG-CD1 4.37Å; R205-I209 VanDerWaalsContact O-CG1 3.29Å; R205-I209 WeakPolarHBondContact O-CG1 3.37Å; R205-I209 PolarHBondContact O-N 3.07Å; L206-I209 PolarHBondContact O-N 3.15Å; L207-I209 VanDerWaalsContact C-N 3.33Å; L207-I209 PolarHBondContact O-N 2.9Å; I209-L212 PolarHBondContact O-N 3.21Å; I209-R213 PolarHBondContact O-N 3.04Å
210E78.6Confident80.5Confident102 Ų10289 Ų8948%0.47744%0.439SS..Hα-helixtrans-62.2-46.2173.8-171.2169.9-155.300111K176 L206 L207 H208 L212 R213 E214K176-E210 IonicContact NZ-OE1 3.17Å; K176-E210 PolarHBondContact NZ-OE1 3.42Å; K176-E210 VanDerWaalsContact NZ-OE1 3.17Å; L206-E210 PolarHBondContact O-N 2.86Å; L207-E210 WeakPolarHBondContact O-CB 3.42Å; L207-E210 PolarHBondContact O-N 3.41Å; L207-E210 VanDerWaalsContact O-N 3.13Å; H208-E210 VanDerWaalsContact C-N 3.32Å; E210-L212 PolarHBondContact O-N 3.15Å; E210-R213 PolarHBondContact O-N 3.05Å; E210-R213 VanDerWaalsContact O-N 3.15Å; E210-E214 PolarHBondContact O-N 3.41Å
211E79.1Confident80.9Confident109 Ų10992.3 Ų92.351%0.50945%0.446SS..Hα-helixtrans-58.7-43.2174.9-70.5179.1161.900112.4L207 H208 R213 E214 L215L207-E211 PolarHBondContact O-N 3.13Å; H208-E211 IonicContact ND1-OE2 3.49Å; H208-E211 PolarHBondContact ND1-OE2 3.36Å; H208-E211 PolarHBondContact O-N 2.96Å; E211-R213 VanDerWaalsContact C-N 3.31Å; E211-R213 PolarHBondContact O-N 3.43Å; E211-E214 PolarHBondContact O-N 2.88Å; E211-L215 WeakPolarHBondContact O-CB 3.31Å; E211-L215 PolarHBondContact O-N 3.27Å
212L80.1Confident81.4Confident89 Ų8993.9 Ų93.947%0.46646%0.459SS..Hα-helixtrans-63.1-37.5176.9-73.2175.6000112.1H208 I209 E210 L215 Q216H208-L212 WeakPolarHBondContact O-CG 3.39Å; H208-L212 PolarHBondContact O-N 2.97Å; I209-L212 PolarHBondContact O-N 3.21Å; E210-L212 PolarHBondContact O-N 3.15Å; L212-L215 PolarHBondContact O-N 2.86Å; L212-Q216 WeakPolarHBondContact O-CB 3.44Å; L212-Q216 PolarHBondContact O-N 3.22Å
213R82Confident82Confident177 Ų17796.4 Ų96.467%0.66847%0.472SS*.Hα-helixtrans-68.6-39.1176.1-174.9-178.3-81.7-172.9-5.1111.5I209 E210 E211 Q216 T217I209-R213 PolarHBondContact O-N 3.04Å; E210-R213 PolarHBondContact O-N 3.05Å; E210-R213 VanDerWaalsContact O-N 3.15Å; E211-R213 VanDerWaalsContact C-N 3.31Å; E211-R213 PolarHBondContact O-N 3.43Å; R213-Q216 PolarHBondContact O-N 2.93Å; R213-T217 PolarHBondContact O-N 3.46Å; R213-T217 PolarHBondContact O-OG1 2.98Å
214E79.3Confident82.4Confident105 Ų10596.1 Ų96.149%0.49147%0.474SS..Hα-helixtrans-65.3-42.9174.6-164.4-173.1155.200111.2E210 E211 Q216 T217 K218E210-E214 PolarHBondContact O-N 3.41Å; E211-E214 PolarHBondContact O-N 2.88Å; E214-Q216 VanDerWaalsContact C-N 3.33Å; E214-Q216 PolarHBondContact O-N 3.27Å; E214-T217 WeakPolarHBondContact O-CB 3.43Å; E214-T217 PolarHBondContact O-N 2.89Å; E214-T217 VanDerWaalsContact O-N 3.15Å; E214-K218 PolarHBondContact O-N 3.28Å; E214-K218 WeakPolarHBondContact OE1-CE 3.44Å; E214-K218 IonicContact OE1-NZ 2.69Å; E214-K218 PolarHBondContact OE1-NZ 3.4Å
215L84.1Confident82.5Confident95 Ų9592.9 Ų92.950%0.49747%0.465SS..Hα-helixtrans-59.2-45174.3-179.863.6000111.4E211 L212 T217 K218 I219E211-L215 WeakPolarHBondContact O-CB 3.31Å; E211-L215 PolarHBondContact O-N 3.27Å; L212-L215 PolarHBondContact O-N 2.86Å; L215-T217 VanDerWaalsContact C-N 3.28Å; L215-T217 PolarHBondContact O-N 2.66Å; L215-K218 PolarHBondContact O-N 3.39Å; L215-I219 HydrophobicContact CD1-CD1 4.36Å; L215-I219 HydrophobicContact CG-CD1 4.02Å; L215-I219 VanDerWaalsContact O-CG1 3.31Å; L215-I219 WeakPolarHBondContact O-CG1 3.37Å; L215-I219 PolarHBondContact O-N 3.34Å
216Q80.4Confident82.9Confident118 Ų11891.6 Ų91.655%0.55147%0.469SS*.Hα-helixtrans-59.1-41.2175.4-172.7-178.817.100111.7L212 R213 E214 I219 N220L212-Q216 WeakPolarHBondContact O-CB 3.44Å; L212-Q216 PolarHBondContact O-N 3.22Å; R213-Q216 PolarHBondContact O-N 2.93Å; E214-Q216 VanDerWaalsContact C-N 3.33Å; E214-Q216 PolarHBondContact O-N 3.27Å; Q216-I219 PolarHBondContact O-N 3.32Å; Q216-N220 VanDerWaalsContact O-CG 3.31Å; Q216-N220 PolarHBondContact O-N 3.42Å; Q216-N220 PolarHBondContact O-ND2 3.22Å
217T83.8Confident83Confident67 Ų6795 Ų9541%0.41148%0.483SS..Hα-helixtrans-62.8-46.9177.1-53.60000110.9R213 E214 L215 I219 N220 E221R213-T217 PolarHBondContact O-N 3.46Å; R213-T217 PolarHBondContact O-OG1 2.98Å; E214-T217 WeakPolarHBondContact O-CB 3.43Å; E214-T217 PolarHBondContact O-N 2.89Å; E214-T217 VanDerWaalsContact O-N 3.15Å; L215-T217 VanDerWaalsContact C-N 3.28Å; L215-T217 PolarHBondContact O-N 2.66Å; T217-I219 VanDerWaalsContact C-N 3.32Å; T217-I219 PolarHBondContact O-N 2.73Å; T217-N220 WeakPolarHBondContact O-CB 3.36Å; T217-N220 PolarHBondContact O-N 2.92Å; T217-N220 VanDerWaalsContact O-N 3.16Å; T217-E221 WeakPolarHBondContact O-CG 3.32Å; T217-E221 PolarHBondContact O-N 3.06Å
218K84.2Confident83.1Confident112 Ų11294.3 Ų94.349%0.48749%0.491SS..Hα-helixtrans-61-39.1175.7-72174.6-176.8161.70112.6E214 L215 E221 A222E214-K218 PolarHBondContact O-N 3.28Å; E214-K218 WeakPolarHBondContact OE1-CE 3.44Å; E214-K218 IonicContact OE1-NZ 2.69Å; E214-K218 PolarHBondContact OE1-NZ 3.4Å; L215-K218 PolarHBondContact O-N 3.39Å; K218-E221 PolarHBondContact O-N 3.47Å; K218-A222 WeakPolarHBondContact O-CB 3.44Å; K218-A222 PolarHBondContact O-N 3.1Å
219I86.5Confident83Confident87 Ų8796.2 Ų96.245%0.44650%0.503SS..Hα-helixtrans-62.9-45.5174.9-70.8167.4000110.2L215 Q216 T217 E221 A222 I223L215-I219 HydrophobicContact CD1-CD1 4.36Å; L215-I219 HydrophobicContact CG-CD1 4.02Å; L215-I219 VanDerWaalsContact O-CG1 3.31Å; L215-I219 WeakPolarHBondContact O-CG1 3.37Å; L215-I219 PolarHBondContact O-N 3.34Å; Q216-I219 PolarHBondContact O-N 3.32Å; T217-I219 VanDerWaalsContact C-N 3.32Å; T217-I219 PolarHBondContact O-N 2.73Å; I219-E221 PolarHBondContact O-N 3.1Å; I219-A222 PolarHBondContact O-N 2.99Å; I219-I223 HydrophobicContact CG2-CD1 3.83Å; I219-I223 HydrophobicContact CG2-CG1 4.43Å; I219-I223 VanDerWaalsContact O-CG1 3.28Å; I219-I223 WeakPolarHBondContact O-CG1 3.46Å; I219-I223 PolarHBondContact O-N 3.38Å
220N87.1Confident82.7Confident84 Ų8498.9 Ų98.945%0.44952%0.516SS..Hα-helixtrans-62.7-42.8177.6-70.9-21.2000112Q216 T217 A222 I223 V224Q216-N220 VanDerWaalsContact O-CG 3.31Å; Q216-N220 PolarHBondContact O-N 3.42Å; Q216-N220 PolarHBondContact O-ND2 3.22Å; T217-N220 WeakPolarHBondContact O-CB 3.36Å; T217-N220 PolarHBondContact O-N 2.92Å; T217-N220 VanDerWaalsContact O-N 3.16Å; N220-A222 PolarHBondContact O-N 3.47Å; N220-I223 PolarHBondContact O-N 2.9Å; N220-V224 VanDerWaalsContact O-CG2 3.24Å; N220-V224 WeakPolarHBondContact O-CG2 3.41Å; N220-V224 PolarHBondContact O-N 3.38Å
221E85.8Confident81.9Confident124 Ų12497.2 Ų97.258%0.57952%0.52SS*.Hα-helixtrans-60.3-43.9174.6-72.8173.1179.700111.8T217 K218 I219 V224 A225T217-E221 WeakPolarHBondContact O-CG 3.32Å; T217-E221 PolarHBondContact O-N 3.06Å; K218-E221 PolarHBondContact O-N 3.47Å; I219-E221 PolarHBondContact O-N 3.1Å; E221-V224 PolarHBondContact O-N 3.41Å; E221-A225 WeakPolarHBondContact O-CB 3.36Å; E221-A225 PolarHBondContact O-N 3.23Å
222A86.3Confident80.8Confident53 Ų5396.8 Ų96.844%0.43852%0.521SS..Hα-helixtrans-63.9-40.7176.100000112.2K218 I219 N220 V224 A225 V226K218-A222 WeakPolarHBondContact O-CB 3.44Å; K218-A222 PolarHBondContact O-N 3.1Å; I219-A222 PolarHBondContact O-N 2.99Å; N220-A222 PolarHBondContact O-N 3.47Å; A222-V224 VanDerWaalsContact C-N 3.34Å; A222-V224 PolarHBondContact O-N 3Å; A222-A225 PolarHBondContact O-N 3.42Å; A222-V226 WeakPolarHBondContact O-CB 3.39Å; A222-V226 VanDerWaalsContact O-CG2 3.31Å; A222-V226 WeakPolarHBondContact O-CG2 3.49Å; A222-V226 PolarHBondContact O-N 3.31Å
223I87.1Confident79.7Confident79 Ų7997.4 Ų97.441%0.40553%0.53SS..Hα-helixtrans-60.6-45.5174.6-70.4166.4000110.2I219 N220 V226 Q227I219-I223 HydrophobicContact CG2-CD1 3.83Å; I219-I223 HydrophobicContact CG2-CG1 4.43Å; I219-I223 VanDerWaalsContact O-CG1 3.28Å; I219-I223 WeakPolarHBondContact O-CG1 3.46Å; I219-I223 PolarHBondContact O-N 3.38Å; N220-I223 PolarHBondContact O-N 2.9Å; I223-V226 PolarHBondContact O-N 2.91Å; I223-Q227 HydrophobicContact CG2-CG 4.32Å; I223-Q227 WeakPolarHBondContact O-CB 3.48Å; I223-Q227 VanDerWaalsContact O-CG 3.25Å; I223-Q227 WeakPolarHBondContact O-CG 3.4Å; I223-Q227 PolarHBondContact O-N 3.42Å
224V87.4Confident78.5Confident89 Ų8997.3 Ų97.354%0.53954%0.535SS..Hα-helixtrans-63.5-41.9178.1173.20000111N220 E221 A222 Q227 A228N220-V224 VanDerWaalsContact O-CG2 3.24Å; N220-V224 WeakPolarHBondContact O-CG2 3.41Å; N220-V224 PolarHBondContact O-N 3.38Å; E221-V224 PolarHBondContact O-N 3.41Å; A222-V224 VanDerWaalsContact C-N 3.34Å; A222-V224 PolarHBondContact O-N 3Å; V224-Q227 PolarHBondContact O-N 3.49Å; V224-A228 WeakPolarHBondContact O-CB 3.29Å; V224-A228 PolarHBondContact O-N 3.01Å
225A83.5Confident77.3Confident53 Ų5396.8 Ų96.844%0.43854%0.539SS..Hα-helixtrans-63.4-42.8176.400000112.1E221 A222 A228 I229E221-A225 WeakPolarHBondContact O-CB 3.36Å; E221-A225 PolarHBondContact O-N 3.23Å; A222-A225 PolarHBondContact O-N 3.42Å; A225-A228 PolarHBondContact O-N 3.49Å; A225-I229 WeakPolarHBondContact O-CG1 3.41Å; A225-I229 PolarHBondContact O-N 2.91Å; A225-I229 VanDerWaalsContact O-N 3.15Å
226V86.2Confident75.7Confident78 Ų7896.5 Ų96.547%0.47354%0.538SS..Hα-helixtrans-64.9-42.5174.71690000110.8A222 I223 A228 I229 I230A222-V226 WeakPolarHBondContact O-CB 3.39Å; A222-V226 VanDerWaalsContact O-CG2 3.31Å; A222-V226 WeakPolarHBondContact O-CG2 3.49Å; A222-V226 PolarHBondContact O-N 3.31Å; I223-V226 PolarHBondContact O-N 2.91Å; V226-A228 VanDerWaalsContact C-N 3.32Å; V226-A228 PolarHBondContact O-N 2.95Å; V226-I229 PolarHBondContact O-N 3.27Å; V226-I230 HydrophobicContact CG1-CD1 3.47Å; V226-I230 VanDerWaalsContact CG1-CD1 3.47Å; V226-I230 HydrophobicContact CG1-CG1 4.22Å; V226-I230 WeakPolarHBondContact O-CB 3.49Å; V226-I230 VanDerWaalsContact O-CG1 3.28Å; V226-I230 WeakPolarHBondContact O-CG1 3.28Å; V226-I230 PolarHBondContact O-N 3.03Å
227Q80.6Confident74.5Confident116 Ų11698.8 Ų98.854%0.54255%0.548SS..Hα-helixtrans-60.8-40.1173.8-76174-16.700111.4I223 V224 I229 I230 A231I223-Q227 HydrophobicContact CG2-CG 4.32Å; I223-Q227 WeakPolarHBondContact O-CB 3.48Å; I223-Q227 VanDerWaalsContact O-CG 3.25Å; I223-Q227 WeakPolarHBondContact O-CG 3.4Å; I223-Q227 PolarHBondContact O-N 3.42Å; V224-Q227 PolarHBondContact O-N 3.49Å; Q227-I229 VanDerWaalsContact C-N 3.29Å; Q227-I229 PolarHBondContact O-N 2.92Å; Q227-I230 PolarHBondContact O-N 3.5Å; Q227-A231 WeakPolarHBondContact O-CA 3.4Å; Q227-A231 WeakPolarHBondContact O-CB 3.41Å; Q227-A231 PolarHBondContact O-N 3.45Å
228A80.6Confident73.2Confident74 Ų74106.5 Ų106.561%0.61257%0.57SS**Hα-helixtrans-63.4-34.2176.600000112.9V224 A225 V226V224-A228 WeakPolarHBondContact O-CB 3.29Å; V224-A228 PolarHBondContact O-N 3.01Å; A225-A228 PolarHBondContact O-N 3.49Å; V226-A228 VanDerWaalsContact C-N 3.32Å; V226-A228 PolarHBondContact O-N 2.95Å
229I79.2Confident71.8Confident136 Ų136108 Ų10870%0.69758%0.583SS**Hα-helixtrans-75-40.8176.1-64.6164.1000111.1A225 V226 Q227A225-I229 WeakPolarHBondContact O-CG1 3.41Å; A225-I229 PolarHBondContact O-N 2.91Å; A225-I229 VanDerWaalsContact O-N 3.15Å; V226-I229 PolarHBondContact O-N 3.27Å; Q227-I229 VanDerWaalsContact C-N 3.29Å; Q227-I229 PolarHBondContact O-N 2.92Å
230I75.6Confident70.3Confident130 Ų130106.8 Ų106.867%0.66759%0.591SS**Hα-helixtrans-79.1-28.7-177.8-64.6174.7000111.5V226 Q227 D232V226-I230 HydrophobicContact CG1-CD1 3.47Å; V226-I230 VanDerWaalsContact CG1-CD1 3.47Å; V226-I230 HydrophobicContact CG1-CG1 4.22Å; V226-I230 WeakPolarHBondContact O-CB 3.49Å; V226-I230 VanDerWaalsContact O-CG1 3.28Å; V226-I230 WeakPolarHBondContact O-CG1 3.28Å; V226-I230 PolarHBondContact O-N 3.03Å; Q227-I230 PolarHBondContact O-N 3.5Å; I230-D232 PolarHBondContact O-N 3.44Å
231A62.1Low68.9Low67 Ų67112.4 Ų112.455%0.55461%0.612SS**THydrogen-bonded Turntrans-8030179.800000113.1Q227 P233Q227-A231 WeakPolarHBondContact O-CA 3.4Å; Q227-A231 WeakPolarHBondContact O-CB 3.41Å; Q227-A231 PolarHBondContact O-N 3.45Å; A231-P233 WeakPolarHBondContact O-CD 3.43Å
232D55.2Low67.5Low100 Ų100113.3 Ų113.354%0.53563%0.625SS.*  trans-71.994.7156.1-176.515.2000107.1I230 K234I230-D232 PolarHBondContact O-N 3.44Å; D232-K234 PolarHBondContact O-N 3.23Å
233P57.6Low65.9Low101 Ų101114.4 Ų114.466%0.65664%0.642SS**  trans-83.679.817523.5-0.3000103.7A231 T235A231-P233 WeakPolarHBondContact O-CD 3.43Å; P233-T235 PolarHBondContact O-N 2.95Å; P233-T235 PolarHBondContact O-OG1 3.41Å
234K56.6Low63.7Low175 Ų175126.2 Ų126.276%0.76168%0.681SS**  trans-65.279.7155.5-82.9-175.6-175.4172.80106.6D232 D236D232-K234 PolarHBondContact O-N 3.23Å; K234-D236 VanDerWaalsContact C-N 3.26Å; K234-D236 PolarHBondContact O-N 3.11Å
235T54.3Low62.6Low95 Ų95128.1 Ų128.158%0.58369%0.688SS**  trans-57.1101161.2-27.10000104.1P233 H237P233-T235 PolarHBondContact O-N 2.95Å; P233-T235 PolarHBondContact O-OG1 3.41Å; T235-H237 PolarHBondContact O-CD2 3.46Å; T235-H237 PolarHBondContact O-N 3.01Å
236D50.8Low61.5Low88 Ų88132 Ų13247%0.47170%0.701SS.*  trans-65.792.4174.2-171.9-2.6000106.8K234 R238 L239K234-D236 VanDerWaalsContact C-N 3.26Å; K234-D236 PolarHBondContact O-N 3.11Å; D236-R238 PolarHBondContact O-N 2.75Å; D236-R238 VanDerWaalsContact OD1-CB 3.23Å; D236-R238 WeakPolarHBondContact OD1-CB 3.17Å; D236-R238 WeakPolarHBondContact OD1-CG 3.43Å; D236-R238 PolarHBondContact OD1-N 3.37Å; D236-R238 VanDerWaalsContact OD1-N 3.16Å; D236-L239 HydrophobicContact CB-CD1 4.31Å; D236-L239 PolarHBondContact O-N 2.9Å
237H54.9Low60.1Low166 Ų166135 Ų13577%0.76971%0.714SS**THydrogen-bonded Turntrans-59.8-8.2179.5-66.6-71.5000112.1T235T235-H237 PolarHBondContact O-CD2 3.46Å; T235-H237 PolarHBondContact O-N 3.01Å
238R56.3Low58.9Low229 Ų229136.1 Ų136.186%0.86472%0.724SS**THydrogen-bonded Turntrans-75.2-19.9171.8-62.3174.561.4162.5-2.7114D236D236-R238 PolarHBondContact O-N 2.75Å; D236-R238 VanDerWaalsContact OD1-CB 3.23Å; D236-R238 WeakPolarHBondContact OD1-CB 3.17Å; D236-R238 WeakPolarHBondContact OD1-CG 3.43Å; D236-R238 PolarHBondContact OD1-N 3.37Å; D236-R238 VanDerWaalsContact OD1-N 3.16Å
239L54.2Low57.5Low145 Ų145140 Ų14076%0.75973%0.731SS**SBendtrans-91.3-6.7-178.6-86.1156.6000113.8D236 K241D236-L239 HydrophobicContact CB-CD1 4.31Å; D236-L239 PolarHBondContact O-N 2.9Å; L239-K241 VanDerWaalsContact C-N 3.29Å; L239-K241 PolarHBondContact O-N 2.65Å
240G55.2Low56.1Low60 Ų60140.3 Ų140.362%0.61973%0.734SS**  trans-77.366.6175.500000113.5V242G240-V242 PolarHBondContact O-N 2.89Å
241K56.6Low54.7Low203 Ų203141 Ų14188%0.88374%0.738SS**  trans-79.291.2158-98.6-173.3177.9178.80108.1L239 G243L239-K241 VanDerWaalsContact C-N 3.29Å; L239-K241 PolarHBondContact O-N 2.65Å; K241-G243 PolarHBondContact O-N 2.91Å
242V56.9Low54.1Low142 Ų142146.7 Ų146.786%0.86175%0.752SS**  trans-61.8117.7163.5-119.80000107.5G240G240-V242 PolarHBondContact O-N 2.89Å
243G52.7Low54Low77 Ų77150.6 Ų150.679%0.79477%0.771SS**  trans-59.5138.1-179.700000111.5K241K241-G243 PolarHBondContact O-N 2.91Å
244R42.3Very low53.7Low326 Ų326155.1 Ų155.1100%1.2378%0.781SS**  trans-83.60159.8-92-173.8176.5179.8-3.5109.3

Retrieved 244 of 244 residues in 120.4 ms (Link to these results)

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