A0A096N7A0_PAPAN Loading...

Chromosome X open reading frame 38

AlphaFold DB , UniProt , Accession A0A096N7A0, Species PAPAN (Papio anubis, Olive baboon), Gene CXorf38, Length 319 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
1M59Low76Confident160 Ų16059.5 Ų59.579%0.78835%0.347SS*.  0-59.10-88.6168.64300110.8L3 S4 E5M1-L3 PolarHBondContact O-N 3.2Å; M1-S4 WeakPolarHBondContact O-CB 3.38Å; M1-S4 PolarHBondContact O-N 3.36Å; M1-E5 PolarHBondContact O-N 3.06Å; M1-E5 VanDerWaalsContact O-N 3.13Å
2V59.7Low77.1Confident66 Ų6658 Ų5840%0.434%0.341SS..Hα-helixtrans-49.2-51178.1-1780000113.7S4 E5 L6 E236 D284V2-S4 VanDerWaalsContact C-N 3.29Å; V2-S4 PolarHBondContact O-N 2.78Å; V2-E5 PolarHBondContact O-N 2.87Å; V2-L6 PolarHBondContact O-N 3.27Å; V2-E236 WeakPolarHBondContact CG1-OE1 3.48Å; V2-D284 HydrophobicContact CB-CB 4.37Å; V2-D284 HydrophobicContact CG1-CB 3.69Å; V2-D284 HydrophobicContact CG2-CB 4.11Å
3L62.8Low78Confident54 Ų5458.1 Ų58.128%0.28335%0.352SS..Hα-helixtrans-57.1-36.8176.6-79.1167.5000114.1M1 A7 I217 E236M1-L3 PolarHBondContact O-N 3.2Å; L3-A7 VanDerWaalsContact O-CB 3.22Å; L3-A7 WeakPolarHBondContact O-CB 3.44Å; L3-A7 PolarHBondContact O-N 3.29Å; L3-A7 VanDerWaalsContact O-N 3.09Å; L3-I217 HydrophobicContact CD2-CG2 4.36Å; L3-E236 HydrophobicContact CD2-CG 4.16Å; L3-E236 WeakPolarHBondContact CD2-OE1 3.5Å; L3-E236 WeakPolarHBondContact CD2-OE2 3.44Å; L3-E236 WeakPolarHBondContact CG-OE1 3.13Å
4S69.6Low79.1Confident86 Ų8660.2 Ų60.260%0.60136%0.357SS*.Hα-helixtrans-74.3-35-179.7-176.50000112M1 V2 A8M1-S4 WeakPolarHBondContact O-CB 3.38Å; M1-S4 PolarHBondContact O-N 3.36Å; V2-S4 VanDerWaalsContact C-N 3.29Å; V2-S4 PolarHBondContact O-N 2.78Å; S4-A8 WeakPolarHBondContact O-CB 3.44Å; S4-A8 PolarHBondContact O-N 2.89Å; S4-A8 VanDerWaalsContact O-N 3.1Å
5E79.9Confident80Confident37 Ų3756.7 Ų56.717%0.17334%0.335CS..Hα-helixtrans-70.6-48.3178.5-70.8169.4-156.800110.4M1 V2 A7 A8 R9 E283M1-E5 PolarHBondContact O-N 3.06Å; M1-E5 VanDerWaalsContact O-N 3.13Å; V2-E5 PolarHBondContact O-N 2.87Å; E5-A7 PolarHBondContact O-N 3Å; E5-A8 PolarHBondContact O-N 2.76Å; E5-R9 WeakPolarHBondContact O-CG 3.41Å; E5-R9 PolarHBondContact O-N 3.25Å; E5-E283 PolarHBondContact OE2-N 3.16Å
6L82.2Confident80.7Confident6 Ų656.3 Ų56.33%0.03133%0.328CS..Hα-helixtrans-61.2-46.2176.7-179.266.2000111.7V2 A8 R9 L10 E236 V239 E243V2-L6 PolarHBondContact O-N 3.27Å; L6-A8 VanDerWaalsContact C-N 3.29Å; L6-A8 PolarHBondContact O-N 3.44Å; L6-R9 PolarHBondContact O-N 3.36Å; L6-L10 HydrophobicContact CD1-CD1 3.86Å; L6-L10 HydrophobicContact CD1-CG 4Å; L6-L10 HydrophobicContact CD2-CD1 4.22Å; L6-L10 HydrophobicContact CG-CD1 3.72Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.93Å; L6-E236 HydrophobicContact CD2-CB 4.23Å; L6-E236 HydrophobicContact CD2-CG 3.57Å; L6-V239 HydrophobicContact CD1-CG1 3.82Å; L6-V239 HydrophobicContact CD2-CB 4.41Å; L6-E243 WeakPolarHBondContact CD1-OE2 2.98Å
7A79.5Confident81.4Confident24 Ų2453.6 Ų53.620%0.19831%0.312CS..Hα-helixtrans-58.9-41.8177.200000111.8L3 E5 L10 N11 I217L3-A7 VanDerWaalsContact O-CB 3.22Å; L3-A7 WeakPolarHBondContact O-CB 3.44Å; L3-A7 PolarHBondContact O-N 3.29Å; L3-A7 VanDerWaalsContact O-N 3.09Å; E5-A7 PolarHBondContact O-N 3Å; A7-L10 PolarHBondContact O-N 3.44Å; A7-N11 VanDerWaalsContact O-CG 3.28Å; A7-N11 PolarHBondContact O-N 3.34Å; A7-N11 PolarHBondContact O-ND2 3.36Å; A7-I217 HydrophobicContact CB-CD1 3.83Å
8A83.4Confident82.1Confident62 Ų6250.7 Ų50.751%0.51229%0.294SS..Hα-helixtrans-62.2-44.3176.600000112.3S4 E5 L6 N11S4-A8 WeakPolarHBondContact O-CB 3.44Å; S4-A8 PolarHBondContact O-N 2.89Å; S4-A8 VanDerWaalsContact O-N 3.1Å; E5-A8 PolarHBondContact O-N 2.76Å; L6-A8 VanDerWaalsContact C-N 3.29Å; L6-A8 PolarHBondContact O-N 3.44Å; A8-N11 PolarHBondContact O-N 3.03Å
9R88.9Confident82.7Confident17 Ų1748 Ų486%0.06428%0.279CS..Hα-helixtrans-61.7-45.6175.5-67.6-167.7-62.9-91.610111.7E5 L6 N11 C12 Y15 E243 N282 D284E5-R9 WeakPolarHBondContact O-CG 3.41Å; E5-R9 PolarHBondContact O-N 3.25Å; L6-R9 PolarHBondContact O-N 3.36Å; R9-N11 PolarHBondContact O-N 2.61Å; R9-C12 WeakPolarHBondContact O-CB 3.44Å; R9-C12 PolarHBondContact O-N 2.86Å; R9-Y15 HydrophobicContact CB-CD1 3.79Å; R9-Y15 HydrophobicContact CB-CE1 3.66Å; R9-Y15 HydrophobicContact CG-CE1 4.4Å; R9-Y15 WeakPolarHBondContact O-CD1 3.42Å; R9-E243 IonicContact CZ-OE1 2.68Å; R9-E243 IonicContact CZ-OE2 3.14Å; R9-E243 IonicContact NE-OE1 2.8Å; R9-E243 PolarHBondContact NE-OE1 2.92Å; R9-E243 IonicContact NE-OE2 3.42Å; R9-E243 IonicContact NH2-OE1 2.74Å; R9-E243 PolarHBondContact NH2-OE1 3.33Å; R9-E243 IonicContact NH2-OE2 2.67Å; R9-E243 PolarHBondContact NH2-OE2 2.91Å; R9-N282 WeakPolarHBondContact CD-OD1 3.5Å; R9-N282 PolarHBondContact NH1-OD1 3.14Å; R9-D284 IonicContact CZ-OD1 3.22Å; R9-D284 IonicContact CZ-OD2 3.06Å; R9-D284 IonicContact NH1-OD1 3.77Å; R9-D284 PolarHBondContact NH1-OD1 2.92Å; R9-D284 VanDerWaalsContact NH1-OD1 3.14Å; R9-D284 IonicContact NH1-OD2 2.76Å; R9-D284 IonicContact NH2-OD1 2.69Å; R9-D284 IonicContact NH2-OD2 3.85Å; R9-D284 PolarHBondContact NH2-OD2 3.49Å
10L85.3Confident83.2Confident8 Ų846.3 Ų46.34%0.04227%0.268CS..Hα-helixtrans-71-16.4-179.6-66.1177.7000112.9L6 A7 C12 K16 V215 V239L6-L10 HydrophobicContact CD1-CD1 3.86Å; L6-L10 HydrophobicContact CD1-CG 4Å; L6-L10 HydrophobicContact CD2-CD1 4.22Å; L6-L10 HydrophobicContact CG-CD1 3.72Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.93Å; A7-L10 PolarHBondContact O-N 3.44Å; L10-C12 PolarHBondContact O-N 2.93Å; L10-K16 HydrophobicContact CB-CG 4.37Å; L10-K16 HydrophobicContact CD2-CG 3.87Å; L10-K16 WeakPolarHBondContact O-CD 3.49Å; L10-K16 WeakPolarHBondContact O-CE 3.47Å; L10-K16 WeakPolarHBondContact O-CG 3.3Å; L10-K16 PolarHBondContact O-NZ 2.96Å; L10-V215 HydrophobicContact CD1-CB 3.95Å; L10-V215 HydrophobicContact CD1-CG1 4.25Å; L10-V215 HydrophobicContact CD1-CG2 3.44Å; L10-V215 VanDerWaalsContact CD1-CG2 3.44Å; L10-V239 HydrophobicContact CD1-CG1 4.49Å; L10-V239 HydrophobicContact CD2-CG1 4.37Å
11N85.3Confident83.8Confident135 Ų13544.1 Ų44.172%0.72226%0.255SS*.THydrogen-bonded Turntrans-69.5-15.8169-75.4-28.2000113A7 A8 R9A7-N11 VanDerWaalsContact O-CG 3.28Å; A7-N11 PolarHBondContact O-N 3.34Å; A7-N11 PolarHBondContact O-ND2 3.36Å; A8-N11 PolarHBondContact O-N 3.03Å; R9-N11 PolarHBondContact O-N 2.61Å
12C89.4Confident85.5Confident41 Ų4136.5 Ų36.528%0.27722%0.218SC..  trans-85.3114.4171.6-177.80000111.1R9 L10 E14 Y15 K16R9-C12 WeakPolarHBondContact O-CB 3.44Å; R9-C12 PolarHBondContact O-N 2.86Å; L10-C12 PolarHBondContact O-N 2.93Å; C12-E14 VanDerWaalsContact C-N 3.32Å; C12-E14 PolarHBondContact O-N 2.96Å; C12-Y15 PolarHBondContact O-N 2.79Å; C12-K16 PolarHBondContact O-N 3.41Å
13A89.4Confident87.1Confident59 Ų5934 Ų3449%0.48820%0.202SC..Hα-helixtrans-59.5-40.4179.300000112.8Y15 K16 N17A13-Y15 PolarHBondContact O-N 3.27Å; A13-K16 WeakPolarHBondContact O-CB 3.45Å; A13-K16 PolarHBondContact O-N 3.01Å; A13-N17 PolarHBondContact O-N 3.25Å; A13-N17 PolarHBondContact O-ND2 2.84Å; A13-N17 PolarHBondContact O-OD1 3.4Å
14E92.6Very high88.6Confident88 Ų8831.5 Ų31.541%0.41119%0.189SC..Hα-helixtrans-70.3-33.5-179-58.8-176.1121.100112.7C12 N17 W18 K172 V173C12-E14 VanDerWaalsContact C-N 3.32Å; C12-E14 PolarHBondContact O-N 2.96Å; E14-N17 PolarHBondContact O-N 3.5Å; E14-W18 PolarHBondContact O-N 3.09Å; E14-W18 VanDerWaalsContact O-N 3.11Å; E14-K172 HydrophobicContact CB-CB 3.74Å; E14-K172 HydrophobicContact CB-CD 4.21Å; E14-K172 HydrophobicContact CB-CG 3.86Å; E14-K172 WeakPolarHBondContact O-CA 3.39Å; E14-V173 VanDerWaalsContact CA-O 3.26Å; E14-V173 WeakPolarHBondContact CA-O 3.26Å; E14-V173 WeakPolarHBondContact CB-O 3.11Å; E14-V173 PolarHBondContact O-N 3Å
15Y93.1Very high89.8Confident7 Ų727.5 Ų27.53%0.02716%0.16CC..Hα-helixtrans-67.2-48.1172.8-176.1-97000110.8R9 C12 A13 N17 W18 V19 M171 E243 F278R9-Y15 HydrophobicContact CB-CD1 3.79Å; R9-Y15 HydrophobicContact CB-CE1 3.66Å; R9-Y15 HydrophobicContact CG-CE1 4.4Å; R9-Y15 WeakPolarHBondContact O-CD1 3.42Å; C12-Y15 PolarHBondContact O-N 2.79Å; A13-Y15 PolarHBondContact O-N 3.27Å; Y15-N17 PolarHBondContact O-N 3.32Å; Y15-W18 HydrophobicContact CE2-CE3 4.2Å; Y15-W18 HydrophobicContact CE2-CZ3 4.43Å; Y15-W18 WeakPolarHBondContact O-CA 3.47Å; Y15-W18 WeakPolarHBondContact O-CB 3.44Å; Y15-W18 PolarHBondContact O-N 3.39Å; Y15-V19 HydrophobicContact CD1-CG2 3.98Å; Y15-V19 HydrophobicContact CE1-CG2 3.5Å; Y15-V19 WeakPolarHBondContact O-CG2 3.36Å; Y15-V19 PolarHBondContact O-N 3.27Å; Y15-M171 HydrophobicContact CD2-CB 4.08Å; Y15-M171 VanDerWaalsContact CD2-O 3.26Å; Y15-M171 WeakPolarHBondContact CD2-O 3.27Å; Y15-M171 HydrophobicContact CE2-CB 3.88Å; Y15-E243 VanDerWaalsContact CE1-OE1 3.31Å; Y15-E243 WeakPolarHBondContact CE1-OE1 3.37Å; Y15-E243 PolarHBondContact OH-OE1 3.41Å; Y15-F278 AromaticContact CE2-CE2 3.84Å; Y15-F278 HydrophobicContact CE2-CE2 3.84Å; Y15-F278 AromaticContact CE2-CZ 3.76Å; Y15-F278 HydrophobicContact CE2-CZ 3.76Å; Y15-F278 AromaticContact CZ-CZ 3.98Å
16K90.8Very high90.5Very high51 Ų5126.3 Ų26.322%0.22216%0.155CC..Hα-helixtrans-51.4-45.1172.6-84.1177.4160.91480111.9L10 C12 A13 W18 V19 K20L10-K16 HydrophobicContact CB-CG 4.37Å; L10-K16 HydrophobicContact CD2-CG 3.87Å; L10-K16 WeakPolarHBondContact O-CD 3.49Å; L10-K16 WeakPolarHBondContact O-CE 3.47Å; L10-K16 WeakPolarHBondContact O-CG 3.3Å; L10-K16 PolarHBondContact O-NZ 2.96Å; C12-K16 PolarHBondContact O-N 3.41Å; A13-K16 WeakPolarHBondContact O-CB 3.45Å; A13-K16 PolarHBondContact O-N 3.01Å; K16-W18 VanDerWaalsContact C-N 3.3Å; K16-W18 PolarHBondContact O-N 3.15Å; K16-V19 PolarHBondContact O-N 3.32Å; K16-K20 WeakPolarHBondContact O-CB 3.31Å; K16-K20 WeakPolarHBondContact O-CG 3.41Å; K16-K20 PolarHBondContact O-N 2.98Å
17N92.8Very high91.1Very high11 Ų1126.9 Ų26.96%0.05916%0.158CC..Hα-helixtrans-63-38178.5-66.3-20.6000112.1A13 E14 Y15 K20 A21 V173 S175 L178A13-N17 PolarHBondContact O-N 3.25Å; A13-N17 PolarHBondContact O-ND2 2.84Å; A13-N17 PolarHBondContact O-OD1 3.4Å; E14-N17 PolarHBondContact O-N 3.5Å; Y15-N17 PolarHBondContact O-N 3.32Å; N17-K20 PolarHBondContact O-N 3.36Å; N17-A21 WeakPolarHBondContact O-CB 3.32Å; N17-A21 PolarHBondContact O-N 2.98Å; N17-V173 HydrophobicContact CB-CG2 3.6Å; N17-V173 WeakPolarHBondContact CB-O 3.43Å; N17-V173 PolarHBondContact ND2-O 2.95Å; N17-S175 WeakPolarHBondContact ND2-CA 3.46Å; N17-S175 PolarHBondContact ND2-N 2.98Å; N17-S175 PolarHBondContact ND2-OG 2.97Å; N17-S175 VanDerWaalsContact ND2-OG 3.16Å; N17-L178 HydrophobicContact CB-CB 4.41Å; N17-L178 HydrophobicContact CB-CD2 3.99Å; N17-L178 WeakPolarHBondContact OD1-CD2 3.38Å
18W95.1Very high91.7Very high0 Ų025.8 Ų25.80%015%0.149CC..Hα-helixtrans-64.8-44.8176.7178.687.4000111.1E14 Y15 K16 A21 G22 I165 M171 V173 L246 L247E14-W18 PolarHBondContact O-N 3.09Å; E14-W18 VanDerWaalsContact O-N 3.11Å; Y15-W18 HydrophobicContact CE2-CE3 4.2Å; Y15-W18 HydrophobicContact CE2-CZ3 4.43Å; Y15-W18 WeakPolarHBondContact O-CA 3.47Å; Y15-W18 WeakPolarHBondContact O-CB 3.44Å; Y15-W18 PolarHBondContact O-N 3.39Å; K16-W18 VanDerWaalsContact C-N 3.3Å; K16-W18 PolarHBondContact O-N 3.15Å; W18-A21 PolarHBondContact O-N 3.45Å; W18-G22 PolarHBondContact O-N 2.99Å; W18-I165 HydrophobicContact CG-CD1 4.49Å; W18-I165 PolarHBondContact NE1-O 3.48Å; W18-M171 WeakPolarHBondContact CB-O 3.45Å; W18-M171 HydrophobicContact CD2-CB 3.75Å; W18-M171 HydrophobicContact CD2-CG 4.47Å; W18-M171 HydrophobicContact CE3-CB 3.89Å; W18-M171 HydrophobicContact CG-CB 4.24Å; W18-M171 VanDerWaalsContact CG-O 3.25Å; W18-M171 HydrophobicContact CH2-CB 4.32Å; W18-M171 HydrophobicContact CH2-CG 4.12Å; W18-M171 HydrophobicContact CZ2-CB 4.19Å; W18-M171 HydrophobicContact CZ2-CG 4.01Å; W18-M171 HydrophobicContact CZ3-CB 4.18Å; W18-M171 HydrophobicContact CZ3-CG 4.39Å; W18-V173 HydrophobicContact CB-CG2 4.23Å; W18-L246 HydrophobicContact CE3-CD1 4.37Å; W18-L246 HydrophobicContact CH2-CB 3.56Å; W18-L246 HydrophobicContact CH2-CD1 4.02Å; W18-L246 HydrophobicContact CH2-CG 4.44Å; W18-L246 HydrophobicContact CZ2-CB 4.15Å; W18-L246 HydrophobicContact CZ3-CB 4.2Å; W18-L246 HydrophobicContact CZ3-CD1 3.9Å; W18-L247 HydrophobicContact CH2-CD2 4.34Å; W18-L247 HydrophobicContact CH2-CG 4.4Å
19V93.5Very high92.3Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-64.8-42176-171.30000111.1Y15 K16 G22 H23 W213 I242 E243Y15-V19 HydrophobicContact CD1-CG2 3.98Å; Y15-V19 HydrophobicContact CE1-CG2 3.5Å; Y15-V19 WeakPolarHBondContact O-CG2 3.36Å; Y15-V19 PolarHBondContact O-N 3.27Å; K16-V19 PolarHBondContact O-N 3.32Å; V19-G22 PolarHBondContact O-N 3Å; V19-H23 WeakPolarHBondContact O-CB 3.46Å; V19-H23 PolarHBondContact O-N 3.2Å; V19-W213 HydrophobicContact CB-CH2 4.2Å; V19-W213 HydrophobicContact CB-CZ3 4.05Å; V19-W213 HydrophobicContact CG1-CH2 3.5Å; V19-W213 VanDerWaalsContact CG1-CH2 3.5Å; V19-W213 HydrophobicContact CG1-CZ3 3.56Å; V19-I242 HydrophobicContact CG1-CB 4.48Å; V19-I242 HydrophobicContact CG1-CG2 3.65Å; V19-E243 HydrophobicContact CG1-CG 4.41Å; V19-E243 HydrophobicContact CG2-CG 4.27Å
20K92.4Very high92.4Very high14 Ų1427.8 Ų27.86%0.06115%0.154CC..Hα-helixtrans-56.8-51.5174.7-79.2179.5-175.7-175.30112.1K16 N17 H23 C24 L178 S211 D212 W213K16-K20 WeakPolarHBondContact O-CB 3.31Å; K16-K20 WeakPolarHBondContact O-CG 3.41Å; K16-K20 PolarHBondContact O-N 2.98Å; N17-K20 PolarHBondContact O-N 3.36Å; K20-H23 PolarHBondContact O-N 3.41Å; K20-C24 PolarHBondContact O-N 3.49Å; K20-L178 HydrophobicContact CB-CD1 4.48Å; K20-L178 HydrophobicContact CD-CD2 4.09Å; K20-S211 WeakPolarHBondContact CE-O 3.47Å; K20-S211 PolarHBondContact NZ-O 3.06Å; K20-D212 PolarHBondContact NZ-O 3.08Å; K20-W213 HydrophobicContact CD-CD2 4.49Å; K20-W213 HydrophobicContact CD-CG 4.18Å; K20-W213 HydrophobicContact CG-CD2 3.71Å; K20-W213 VanDerWaalsContact CG-CE2 3.49Å; K20-W213 HydrophobicContact CG-CE3 4.36Å; K20-W213 HydrophobicContact CG-CG 3.9Å; K20-W213 HydrophobicContact CG-CZ2 3.96Å
21A94.4Very high92.7Very high0 Ų027.9 Ų27.90%016%0.155CC..Hα-helixtrans-64.8-41.4-18000000111.6N17 W18 C24 L25 I165 W177 L178 F181N17-A21 WeakPolarHBondContact O-CB 3.32Å; N17-A21 PolarHBondContact O-N 2.98Å; W18-A21 PolarHBondContact O-N 3.45Å; A21-C24 WeakPolarHBondContact O-CB 3.42Å; A21-C24 PolarHBondContact O-N 3.48Å; A21-L25 WeakPolarHBondContact O-CG 3.42Å; A21-L25 PolarHBondContact O-N 3.33Å; A21-I165 HydrophobicContact CB-CD1 3.51Å; A21-I165 HydrophobicContact CB-CG1 4.17Å; A21-W177 HydrophobicContact CB-CH2 4.23Å; A21-W177 HydrophobicContact CB-CZ3 3.76Å; A21-L178 HydrophobicContact CB-CD1 3.89Å; A21-F181 HydrophobicContact CB-CD1 4.07Å; A21-F181 HydrophobicContact CB-CE1 3.88Å; A21-F181 HydrophobicContact CB-CZ 4.34Å
22G94.9Very high93.1Very high0 Ų021.5 Ų21.50%012%0.121CC..Hα-helixtrans-60.8-47.1173.600000112.7W18 V19 C24 L25 L26W18-G22 PolarHBondContact O-N 2.99Å; V19-G22 PolarHBondContact O-N 3Å; G22-C24 VanDerWaalsContact C-N 3.29Å; G22-C24 PolarHBondContact O-N 2.92Å; G22-L25 WeakPolarHBondContact O-CA 3.45Å; G22-L25 WeakPolarHBondContact O-CB 3.43Å; G22-L25 PolarHBondContact O-N 3.09Å; G22-L26 WeakPolarHBondContact O-CG 3.47Å; G22-L26 PolarHBondContact O-N 3.24Å
23H93.9Very high93.4Very high15 Ų1521.3 Ų21.37%0.06912%0.116CC..Hα-helixtrans-60.8-39.9176.2-176.1-167.2000111.6V19 K20 L25 L26 L27 L208 W213 I242V19-H23 WeakPolarHBondContact O-CB 3.46Å; V19-H23 PolarHBondContact O-N 3.2Å; K20-H23 PolarHBondContact O-N 3.41Å; H23-L25 VanDerWaalsContact C-N 3.28Å; H23-L25 PolarHBondContact O-N 2.9Å; H23-L26 PolarHBondContact O-N 2.8Å; H23-L26 VanDerWaalsContact O-N 3.16Å; H23-L27 WeakPolarHBondContact O-CG 3.32Å; H23-L27 PolarHBondContact O-N 2.91Å; H23-L208 HydrophobicContact CB-CD2 3.92Å; H23-L208 WeakPolarHBondContact ND1-CD1 3.27Å; H23-W213 HydrophobicContact CB-CH2 4.45Å; H23-W213 HydrophobicContact CB-CZ2 4.21Å; H23-W213 AromaticContact ND1-CZ2 3.68Å; H23-I242 HydrophobicContact CB-CD1 4.13Å; H23-I242 HydrophobicContact CB-CG1 4.45Å; H23-I242 HydrophobicContact CB-CG2 3.85Å; H23-I242 WeakPolarHBondContact ND1-CD1 3.46Å
24C94.3Very high93.5Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-56.6-42.4171.6177.30000111.8K20 A21 G22 L27 L28 F181 I205 L208 L209K20-C24 PolarHBondContact O-N 3.49Å; A21-C24 WeakPolarHBondContact O-CB 3.42Å; A21-C24 PolarHBondContact O-N 3.48Å; G22-C24 VanDerWaalsContact C-N 3.29Å; G22-C24 PolarHBondContact O-N 2.92Å; C24-L27 PolarHBondContact O-N 3.25Å; C24-L28 VanDerWaalsContact O-CB 3.31Å; C24-L28 WeakPolarHBondContact O-CB 3.44Å; C24-L28 PolarHBondContact O-N 3.36Å; C24-F181 HydrophobicContact CB-CE1 3.78Å; C24-F181 HydrophobicContact CB-CZ 4Å; C24-I205 WeakPolarHBondContact SG-CG2 3.35Å; C24-L208 HydrophobicContact CB-CD2 4.21Å; C24-L209 HydrophobicContact CB-CD2 4.17Å
25L95.4Very high93.6Very high2 Ų216.8 Ų16.81%0.0110%0.095CC..Hα-helixtrans-67.3-35.6176.7-67.4166000112.5A21 G22 H23 L28 R29 R162 I165 F181A21-L25 WeakPolarHBondContact O-CG 3.42Å; A21-L25 PolarHBondContact O-N 3.33Å; G22-L25 WeakPolarHBondContact O-CA 3.45Å; G22-L25 WeakPolarHBondContact O-CB 3.43Å; G22-L25 PolarHBondContact O-N 3.09Å; H23-L25 VanDerWaalsContact C-N 3.28Å; H23-L25 PolarHBondContact O-N 2.9Å; L25-L28 HydrophobicContact CD2-CD2 4.35Å; L25-L28 WeakPolarHBondContact O-CB 3.36Å; L25-L28 PolarHBondContact O-N 3.33Å; L25-R29 WeakPolarHBondContact O-CB 3.46Å; L25-R29 PolarHBondContact O-N 2.89Å; L25-R162 HydrophobicContact CD1-CB 4.24Å; L25-R162 HydrophobicContact CD1-CG 4.07Å; L25-R162 HydrophobicContact CD2-CB 4.22Å; L25-R162 HydrophobicContact CD2-CG 4.28Å; L25-I165 HydrophobicContact CD1-CB 4.38Å; L25-I165 HydrophobicContact CD1-CG1 4.38Å; L25-I165 HydrophobicContact CD1-CG2 4.35Å; L25-F181 HydrophobicContact CD2-CE2 4.21Å; L25-F181 HydrophobicContact CD2-CZ 4.27Å; L25-F181 HydrophobicContact CG-CE2 4.43Å; L25-F181 HydrophobicContact CG-CZ 4.16Å
26L94.6Very high93.8Very high12 Ų1216.5 Ų16.56%0.0639%0.093CC..Hα-helixtrans-66.5-40.6174.4-64.9175.5000112G22 H23 R29 S30 I242 Q245 L246G22-L26 WeakPolarHBondContact O-CG 3.47Å; G22-L26 PolarHBondContact O-N 3.24Å; H23-L26 PolarHBondContact O-N 2.8Å; H23-L26 VanDerWaalsContact O-N 3.16Å; L26-R29 WeakPolarHBondContact O-CB 3.26Å; L26-R29 PolarHBondContact O-N 2.99Å; L26-S30 PolarHBondContact O-N 3.47Å; L26-S30 VanDerWaalsContact O-N 3.07Å; L26-I242 HydrophobicContact CD1-CG2 4.28Å; L26-Q245 HydrophobicContact CD1-CB 3.95Å; L26-Q245 HydrophobicContact CD2-CB 4.32Å; L26-L246 HydrophobicContact CD1-CD2 4.17Å; L26-L246 HydrophobicContact CD1-CG 4.35Å; L26-L246 HydrophobicContact CG-CD2 4.17Å
27L93.4Very high94Very high19 Ų1915 Ų1510%0.0999%0.093CC..Hα-helixtrans-65.3-43173.3-69.1175.1000111.2H23 C24 R29 S30 C31 V201 R204 I205 L208H23-L27 WeakPolarHBondContact O-CG 3.32Å; H23-L27 PolarHBondContact O-N 2.91Å; C24-L27 PolarHBondContact O-N 3.25Å; L27-R29 PolarHBondContact O-N 3.15Å; L27-S30 PolarHBondContact O-N 2.89Å; L27-C31 PolarHBondContact O-N 3.37Å; L27-V201 HydrophobicContact CB-CG1 4.02Å; L27-R204 HydrophobicContact CD1-CG 4.27Å; L27-I205 HydrophobicContact CB-CD1 4.05Å; L27-I205 HydrophobicContact CB-CG1 3.87Å; L27-I205 HydrophobicContact CD1-CG1 3.93Å; L27-L208 HydrophobicContact CD1-CD2 3.99Å
28L93.7Very high94.2Very high0 Ų019.5 Ų19.50%011%0.109CC..Hα-helixtrans-59.1-46.4175.2-174.367.3000111.5C24 L25 S30 C31 L32 L139 V158 I185 F188 L189C24-L28 VanDerWaalsContact O-CB 3.31Å; C24-L28 WeakPolarHBondContact O-CB 3.44Å; C24-L28 PolarHBondContact O-N 3.36Å; L25-L28 HydrophobicContact CD2-CD2 4.35Å; L25-L28 WeakPolarHBondContact O-CB 3.36Å; L25-L28 PolarHBondContact O-N 3.33Å; L28-S30 VanDerWaalsContact C-N 3.32Å; L28-S30 PolarHBondContact O-N 3.11Å; L28-C31 PolarHBondContact O-N 2.87Å; L28-C31 PolarHBondContact O-SG 2.99Å; L28-L32 HydrophobicContact CD1-CD1 4.35Å; L28-L32 HydrophobicContact CD1-CG 4.48Å; L28-L32 HydrophobicContact CG-CD1 4.03Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 VanDerWaalsContact O-CG 3.31Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.05Å; L28-L139 HydrophobicContact CD2-CD1 4.47Å; L28-V158 HydrophobicContact CD2-CG1 3.81Å; L28-I185 HydrophobicContact CD2-CD1 4.01Å; L28-F188 HydrophobicContact CD1-CD1 4.13Å; L28-F188 HydrophobicContact CD1-CE1 3.81Å; L28-F188 HydrophobicContact CD2-CE1 4.41Å; L28-L189 HydrophobicContact CD1-CD1 4.49Å; L28-L189 HydrophobicContact CD1-CD2 3.58Å; L28-L189 HydrophobicContact CD1-CG 4.22Å
29R94.5Very high94.3Very high52 Ų5222.2 Ų22.220%0.19612%0.121CC..Hα-helixtrans-53.5-52.4174.1179.1-171.172.7179.33.1110.1L25 L26 L27 C31 L32 Q33 C133 A135 L138 Q245 E249L25-R29 WeakPolarHBondContact O-CB 3.46Å; L25-R29 PolarHBondContact O-N 2.89Å; L26-R29 WeakPolarHBondContact O-CB 3.26Å; L26-R29 PolarHBondContact O-N 2.99Å; L27-R29 PolarHBondContact O-N 3.15Å; R29-C31 VanDerWaalsContact C-N 3.35Å; R29-C31 PolarHBondContact O-N 2.87Å; R29-L32 PolarHBondContact O-N 3.31Å; R29-Q33 VanDerWaalsContact O-CG 3.27Å; R29-Q33 WeakPolarHBondContact O-CG 3.32Å; R29-Q33 PolarHBondContact O-N 3.45Å; R29-Q33 VanDerWaalsContact O-N 3.11Å; R29-C133 VanDerWaalsContact CD-O 3.24Å; R29-C133 WeakPolarHBondContact CD-O 3.44Å; R29-C133 WeakPolarHBondContact CG-O 3.28Å; R29-A135 HydrophobicContact CB-CB 4.19Å; R29-L138 HydrophobicContact CG-CD1 4.27Å; R29-Q245 VanDerWaalsContact NH2-OE1 3.15Å; R29-E249 IonicContact CZ-OE1 3.56Å; R29-E249 IonicContact NH1-OE1 3.35Å; R29-E249 PolarHBondContact NH1-OE1 3.42Å
30S91.8Very high94.5Very high70 Ų7022.5 Ų22.549%0.4912%0.123SC..Hα-helixtrans-58.8-41.8-178-1780000113L26 L27 L28L26-S30 PolarHBondContact O-N 3.47Å; L26-S30 VanDerWaalsContact O-N 3.07Å; L27-S30 PolarHBondContact O-N 2.89Å; L28-S30 VanDerWaalsContact C-N 3.32Å; L28-S30 PolarHBondContact O-N 3.11Å
31C91Very high94.8Very high10 Ų1026.2 Ų26.27%0.06814%0.143CC..Hα-helixtrans-72.9-32.9179.876.40000113.1L27 L28 R29 I198 V201L27-C31 PolarHBondContact O-N 3.37Å; L28-C31 PolarHBondContact O-N 2.87Å; L28-C31 PolarHBondContact O-SG 2.99Å; R29-C31 VanDerWaalsContact C-N 3.35Å; R29-C31 PolarHBondContact O-N 2.87Å; C31-I198 HydrophobicContact CB-CG1 4.19Å; C31-V201 HydrophobicContact CB-CB 3.78Å; C31-V201 HydrophobicContact CB-CG1 3.93Å; C31-V201 HydrophobicContact CB-CG2 3.79Å
32L95Very high95Very high0 Ų029.3 Ų29.30%017%0.165CC..Hα-helixtrans-72.8-28178.4-69.9178.1000112.8L28 R29 G34 F35 V36 L138 L139 I142 F188 F192 I198L28-L32 HydrophobicContact CD1-CD1 4.35Å; L28-L32 HydrophobicContact CD1-CG 4.48Å; L28-L32 HydrophobicContact CG-CD1 4.03Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 VanDerWaalsContact O-CG 3.31Å; L28-L32 WeakPolarHBondContact O-CG 3.49Å; L28-L32 PolarHBondContact O-N 3.05Å; R29-L32 PolarHBondContact O-N 3.31Å; L32-G34 PolarHBondContact O-N 3.36Å; L32-F35 PolarHBondContact O-N 3.24Å; L32-V36 VanDerWaalsContact O-CB 3.28Å; L32-V36 WeakPolarHBondContact O-CB 3.41Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.47Å; L32-V36 PolarHBondContact O-N 2.85Å; L32-L138 HydrophobicContact CB-CD1 4.04Å; L32-L139 HydrophobicContact CD1-CD2 3.91Å; L32-L139 HydrophobicContact CD1-CG 4.3Å; L32-I142 HydrophobicContact CD1-CD1 4.34Å; L32-I142 HydrophobicContact CD2-CD1 4.05Å; L32-F188 HydrophobicContact CD1-CE1 4.3Å; L32-F188 HydrophobicContact CD1-CZ 4.25Å; L32-F188 HydrophobicContact CD2-CE1 4.35Å; L32-F188 HydrophobicContact CD2-CZ 4.27Å; L32-F192 HydrophobicContact CD2-CZ 4.47Å; L32-I198 HydrophobicContact CD2-CD1 4.39Å
33Q94.8Very high95.1Very high37 Ų3730 Ų3017%0.17317%0.168CC..Hα-helixtrans-55.4-50.3-177.5-77.6168.3-13.900113R29 G37 P130 E131 L138R29-Q33 VanDerWaalsContact O-CG 3.27Å; R29-Q33 WeakPolarHBondContact O-CG 3.32Å; R29-Q33 PolarHBondContact O-N 3.45Å; R29-Q33 VanDerWaalsContact O-N 3.11Å; Q33-G37 PolarHBondContact O-N 3.21Å; Q33-P130 HydrophobicContact CB-CB 4.42Å; Q33-P130 HydrophobicContact CG-CB 4.38Å; Q33-P130 WeakPolarHBondContact CG-O 3.38Å; Q33-P130 PolarHBondContact NE2-O 3.39Å; Q33-E131 PolarHBondContact NE2-O 3.32Å; Q33-L138 HydrophobicContact CG-CD1 3.79Å
34G91.4Very high95.3Very high37 Ų3729.7 Ų29.738%0.38117%0.166SC..Hα-helixtrans-66.3-41.4-179.600000112.8L32 R38L32-G34 PolarHBondContact O-N 3.36Å; G34-R38 PolarHBondContact O-N 3.46Å
35F94.4Very high95.5Very high16 Ų1635.4 Ų35.47%0.0719%0.193CC..Hα-helixtrans-63.1-54.3175.9169.1-109.5000111.7L32 G37 R38 E39 F148 F192 I195 I198L32-F35 PolarHBondContact O-N 3.24Å; F35-G37 VanDerWaalsContact C-N 3.3Å; F35-G37 PolarHBondContact O-N 3.08Å; F35-R38 PolarHBondContact O-N 2.68Å; F35-R38 VanDerWaalsContact O-N 3.16Å; F35-E39 HydrophobicContact CD2-CG 3.84Å; F35-E39 HydrophobicContact CE1-CG 4.12Å; F35-E39 HydrophobicContact CE2-CG 3.36Å; F35-E39 HydrophobicContact CG-CG 4.43Å; F35-E39 HydrophobicContact CZ-CG 3.52Å; F35-E39 WeakPolarHBondContact O-CG 3.35Å; F35-E39 PolarHBondContact O-N 3.34Å; F35-F148 AromaticContact CE1-CD1 3.85Å; F35-F148 HydrophobicContact CE1-CD1 3.85Å; F35-F148 AromaticContact CE1-CE1 3.87Å; F35-F148 HydrophobicContact CE1-CE1 3.87Å; F35-F148 HydrophobicContact CZ-CD1 4.09Å; F35-F148 HydrophobicContact CZ-CE1 4.28Å; F35-F192 HydrophobicContact CD1-CD1 4.46Å; F35-F192 HydrophobicContact CD1-CE1 4.04Å; F35-F192 HydrophobicContact CE1-CD1 4.14Å; F35-F192 AromaticContact CE1-CE1 3.46Å; F35-F192 HydrophobicContact CE1-CE1 3.46Å; F35-F192 VanDerWaalsContact CE1-CE1 3.46Å; F35-F192 HydrophobicContact CE1-CZ 4.36Å; F35-F192 HydrophobicContact CZ-CD1 4.19Å; F35-F192 AromaticContact CZ-CE1 3.76Å; F35-F192 HydrophobicContact CZ-CE1 3.76Å; F35-I195 HydrophobicContact CD2-CD1 3.33Å; F35-I195 HydrophobicContact CE2-CD1 3.4Å; F35-I195 HydrophobicContact CG-CD1 4.13Å; F35-I195 HydrophobicContact CZ-CD1 4.27Å; F35-I198 HydrophobicContact CB-CD1 3.97Å; F35-I198 HydrophobicContact CG-CD1 4.19Å
36V97Very high95.5Very high0 Ų037.2 Ų37.20%021%0.212CC..Hα-helixtrans-58.2-42.8-179.8165.90000111.3L32 R38 E39 V40 W113 P130 L138 L141 I142 F148L32-V36 VanDerWaalsContact O-CB 3.28Å; L32-V36 WeakPolarHBondContact O-CB 3.41Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.47Å; L32-V36 PolarHBondContact O-N 2.85Å; V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 PolarHBondContact O-N 3.02Å; V36-E39 PolarHBondContact O-N 3.19Å; V36-V40 HydrophobicContact CG1-CG2 3.99Å; V36-V40 WeakPolarHBondContact O-CB 3.44Å; V36-V40 VanDerWaalsContact O-CG2 3.26Å; V36-V40 WeakPolarHBondContact O-CG2 3.22Å; V36-V40 PolarHBondContact O-N 3.31Å; V36-W113 HydrophobicContact CG1-CH2 4.46Å; V36-W113 HydrophobicContact CG1-CZ3 4.01Å; V36-P130 HydrophobicContact CG1-CB 4.24Å; V36-L138 HydrophobicContact CB-CD2 4.4Å; V36-L138 HydrophobicContact CG1-CD2 4.05Å; V36-L138 HydrophobicContact CG2-CD2 4.43Å; V36-L141 HydrophobicContact CG1-CD2 3.44Å; V36-L141 VanDerWaalsContact CG1-CD2 3.44Å; V36-I142 HydrophobicContact CG2-CD1 4.04Å; V36-I142 HydrophobicContact CG2-CG1 4.22Å; V36-F148 HydrophobicContact CG2-CE1 4.48Å
37G96.4Very high95.6Very high20 Ų2036.9 Ų36.921%0.20621%0.21CC..Hα-helixtrans-56.8-44.2178.100000112.6Q33 F35 L41Q33-G37 PolarHBondContact O-N 3.21Å; F35-G37 VanDerWaalsContact C-N 3.3Å; F35-G37 PolarHBondContact O-N 3.08Å; G37-L41 WeakPolarHBondContact O-CG 3.27Å; G37-L41 PolarHBondContact O-N 3.34Å
38R95.9Very high95.7Very high106 Ų10637.4 Ų37.440%0.421%0.213SC..Hα-helixtrans-69.7-45.1178.2-68.1-174.4-58.6-108.3-0.7112.7G34 F35 V36 V40 L41 S42 E197G34-R38 PolarHBondContact O-N 3.46Å; F35-R38 PolarHBondContact O-N 2.68Å; F35-R38 VanDerWaalsContact O-N 3.16Å; V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 PolarHBondContact O-N 3.02Å; R38-V40 PolarHBondContact O-N 3.36Å; R38-L41 PolarHBondContact O-N 3.16Å; R38-S42 WeakPolarHBondContact O-CB 3.18Å; R38-S42 PolarHBondContact O-N 2.82Å; R38-E197 IonicContact CZ-OE1 3.62Å; R38-E197 IonicContact CZ-OE2 3.06Å; R38-E197 IonicContact NH1-OE1 3.62Å; R38-E197 PolarHBondContact NH1-OE1 3.3Å; R38-E197 VanDerWaalsContact NH1-OE1 3.08Å; R38-E197 IonicContact NH1-OE2 3.62Å; R38-E197 PolarHBondContact NH1-OE2 3.36Å; R38-E197 IonicContact NH2-OE2 2.77Å; R38-E197 PolarHBondContact NH2-OE2 2.9Å
39E97.4Very high95.8Very high56 Ų5641.2 Ų41.226%0.26225%0.245SC..Hα-helixtrans-64.9-40.4179.9-65.7-55.4111.300111.5F35 V36 L41 S42 F43 H147 F148F35-E39 HydrophobicContact CD2-CG 3.84Å; F35-E39 HydrophobicContact CE1-CG 4.12Å; F35-E39 HydrophobicContact CE2-CG 3.36Å; F35-E39 HydrophobicContact CG-CG 4.43Å; F35-E39 HydrophobicContact CZ-CG 3.52Å; F35-E39 WeakPolarHBondContact O-CG 3.35Å; F35-E39 PolarHBondContact O-N 3.34Å; V36-E39 PolarHBondContact O-N 3.19Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 2.97Å; E39-S42 WeakPolarHBondContact O-CB 3.47Å; E39-S42 PolarHBondContact O-N 3.35Å; E39-F43 VanDerWaalsContact O-CB 3.28Å; E39-F43 WeakPolarHBondContact O-CB 3.38Å; E39-F43 PolarHBondContact O-N 2.61Å; E39-H147 PolarHBondContact O-NE2 2.96Å; E39-H147 IonicContact OE2-NE2 3.73Å; E39-F148 HydrophobicContact CB-CD1 4.32Å; E39-F148 HydrophobicContact CB-CE1 3.48Å; E39-F148 VanDerWaalsContact CB-CE1 3.48Å; E39-F148 HydrophobicContact CB-CZ 3.81Å; E39-F148 HydrophobicContact CG-CD1 4.39Å; E39-F148 HydrophobicContact CG-CE1 3.86Å
40V98.2Very high95.7Very high6 Ų642.7 Ų42.74%0.03627%0.268CS..Hα-helixtrans-62.4-40.3176.7165.70000111.8V36 R38 H44 A112 W113 A116 L141 F148V36-V40 HydrophobicContact CG1-CG2 3.99Å; V36-V40 WeakPolarHBondContact O-CB 3.44Å; V36-V40 VanDerWaalsContact O-CG2 3.26Å; V36-V40 WeakPolarHBondContact O-CG2 3.22Å; V36-V40 PolarHBondContact O-N 3.31Å; R38-V40 PolarHBondContact O-N 3.36Å; V40-H44 WeakPolarHBondContact O-CB 2.92Å; V40-H44 PolarHBondContact O-N 3.4Å; V40-A112 HydrophobicContact CG1-CB 3.79Å; V40-A112 WeakPolarHBondContact CG1-O 3.38Å; V40-W113 HydrophobicContact CG1-CE3 4.26Å; V40-W113 HydrophobicContact CG2-CZ3 4.36Å; V40-A116 HydrophobicContact CB-CB 4.48Å; V40-A116 HydrophobicContact CG1-CB 3.76Å; V40-A116 HydrophobicContact CG2-CB 3.81Å; V40-L141 HydrophobicContact CG2-CD2 3.64Å; V40-F148 HydrophobicContact CG2-CZ 4.36Å
41L98.1Very high95.7Very high93 Ų9340.4 Ų40.449%0.48725%0.253SS..Hα-helixtrans-65.3-45.1174.7-71.9170.2000111.6G37 R38 E39 H44 H45 A112G37-L41 WeakPolarHBondContact O-CG 3.27Å; G37-L41 PolarHBondContact O-N 3.34Å; R38-L41 PolarHBondContact O-N 3.16Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 2.97Å; L41-H44 PolarHBondContact O-N 3.37Å; L41-H45 PolarHBondContact O-N 2.88Å; L41-H45 PolarHBondContact O-ND1 3.3Å; L41-A112 HydrophobicContact CD2-CB 3.93Å
42S98.1Very high95.5Very high65 Ų6544.9 Ų44.946%0.45528%0.282SS..Hα-helixtrans-58.5-48.3176.2-175.10000111.5R38 E39 H44 H45 G46R38-S42 WeakPolarHBondContact O-CB 3.18Å; R38-S42 PolarHBondContact O-N 2.82Å; E39-S42 WeakPolarHBondContact O-CB 3.47Å; E39-S42 PolarHBondContact O-N 3.35Å; S42-H44 PolarHBondContact O-N 3.36Å; S42-H45 PolarHBondContact O-N 2.72Å; S42-G46 PolarHBondContact O-N 3.37Å
43F98.3Very high95.2Very high13 Ų1347.6 Ų47.66%0.05731%0.311CS..Hα-helixtrans-55.3-52.3175.4176.3-125.3000111.7E39 H45 G46 L47 H90 V115 F119 H147E39-F43 VanDerWaalsContact O-CB 3.28Å; E39-F43 WeakPolarHBondContact O-CB 3.38Å; E39-F43 PolarHBondContact O-N 2.61Å; F43-H45 PolarHBondContact O-N 3.4Å; F43-G46 WeakPolarHBondContact O-CA 3.3Å; F43-G46 PolarHBondContact O-N 3.11Å; F43-G46 VanDerWaalsContact O-N 3.09Å; F43-L47 HydrophobicContact CD1-CD1 4.3Å; F43-L47 HydrophobicContact CD2-CD2 4.39Å; F43-L47 HydrophobicContact CD2-CG 4.28Å; F43-L47 HydrophobicContact CE1-CD1 3.73Å; F43-L47 HydrophobicContact CE1-CG 4.34Å; F43-L47 HydrophobicContact CE2-CD1 4.13Å; F43-L47 HydrophobicContact CE2-CD2 3.7Å; F43-L47 HydrophobicContact CE2-CG 3.92Å; F43-L47 HydrophobicContact CZ-CD1 3.64Å; F43-L47 HydrophobicContact CZ-CD2 3.91Å; F43-L47 HydrophobicContact CZ-CG 3.97Å; F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 3.28Å; F43-H90 HydrophobicContact CE2-CB 4.1Å; F43-H90 AromaticContact CE2-CD2 3.94Å; F43-H90 AromaticContact CE2-CG 3.67Å; F43-H90 AromaticContact CE2-ND1 3.8Å; F43-H90 HydrophobicContact CZ-CB 3.78Å; F43-H90 AromaticContact CZ-CG 3.77Å; F43-V115 HydrophobicContact CE1-CG1 4.18Å; F43-F119 HydrophobicContact CE1-CE2 4.14Å; F43-F119 HydrophobicContact CE1-CZ 4.42Å; F43-F119 HydrophobicContact CZ-CZ 4.42Å; F43-H147 HydrophobicContact CB-CB 4.36Å; F43-H147 HydrophobicContact CD2-CB 3.67Å; F43-H147 AromaticContact CD2-CG 3.73Å; F43-H147 AromaticContact CD2-ND1 3.77Å; F43-H147 HydrophobicContact CE2-CB 4.19Å; F43-H147 HydrophobicContact CG-CB 4.1Å; F43-H147 AromaticContact CG-CG 3.98Å
44H98.1Very high95.1Very high9 Ų946 Ų464%0.04230%0.303CS..Hα-helixtrans-60.8-44.5-178.9-178.7-102.9000112.7V40 L41 S42 G46 L47 L48 W83 W108 A112V40-H44 WeakPolarHBondContact O-CB 2.92Å; V40-H44 PolarHBondContact O-N 3.4Å; L41-H44 PolarHBondContact O-N 3.37Å; S42-H44 PolarHBondContact O-N 3.36Å; H44-G46 VanDerWaalsContact C-N 3.29Å; H44-G46 PolarHBondContact O-N 3.08Å; H44-L47 WeakPolarHBondContact O-CB 3.42Å; H44-L47 PolarHBondContact O-N 3.14Å; H44-L48 VanDerWaalsContact CE1-CD1 3.44Å; H44-L48 WeakPolarHBondContact CE1-CD1 3.39Å; H44-L48 WeakPolarHBondContact O-CG 3.26Å; H44-L48 PolarHBondContact O-N 3.24Å; H44-W83 AromaticContact NE2-CH2 3.94Å; H44-W108 PolarHBondContact NE2-O 2.95Å; H44-A112 HydrophobicContact CB-CB 3.39Å
45H97.3Very high95Very high120 Ų12044.8 Ų44.856%0.55629%0.29SS*.Hα-helixtrans-60.3-39.9173.6-68.7158.5000112.1L41 S42 F43 L48 A49L41-H45 PolarHBondContact O-N 2.88Å; L41-H45 PolarHBondContact O-ND1 3.3Å; S42-H45 PolarHBondContact O-N 2.72Å; F43-H45 PolarHBondContact O-N 3.4Å; H45-L48 PolarHBondContact O-N 3.08Å; H45-A49 WeakPolarHBondContact O-CB 3.33Å; H45-A49 PolarHBondContact O-N 2.92Å
46G96.9Very high94.7Very high40 Ų4048.3 Ų48.341%0.41232%0.315SS..Hα-helixtrans-59.8-45.4173.800000112.6S42 F43 H44 L48 A49 A50S42-G46 PolarHBondContact O-N 3.37Å; F43-G46 WeakPolarHBondContact O-CA 3.3Å; F43-G46 PolarHBondContact O-N 3.11Å; F43-G46 VanDerWaalsContact O-N 3.09Å; H44-G46 VanDerWaalsContact C-N 3.29Å; H44-G46 PolarHBondContact O-N 3.08Å; G46-L48 PolarHBondContact O-N 2.89Å; G46-A49 PolarHBondContact O-N 3.2Å; G46-A50 WeakPolarHBondContact O-CB 3.5Å; G46-A50 PolarHBondContact O-N 3.48Å
47L96.5Very high94.3Very high5 Ų559.9 Ų59.93%0.02636%0.359CS..Hα-helixtrans-59.5-47175.5-64.9-174.3000111.6F43 H44 A49 A50 A51 W83 E86 H90 V115F43-L47 HydrophobicContact CD1-CD1 4.3Å; F43-L47 HydrophobicContact CD2-CD2 4.39Å; F43-L47 HydrophobicContact CD2-CG 4.28Å; F43-L47 HydrophobicContact CE1-CD1 3.73Å; F43-L47 HydrophobicContact CE1-CG 4.34Å; F43-L47 HydrophobicContact CE2-CD1 4.13Å; F43-L47 HydrophobicContact CE2-CD2 3.7Å; F43-L47 HydrophobicContact CE2-CG 3.92Å; F43-L47 HydrophobicContact CZ-CD1 3.64Å; F43-L47 HydrophobicContact CZ-CD2 3.91Å; F43-L47 HydrophobicContact CZ-CG 3.97Å; F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 3.28Å; H44-L47 WeakPolarHBondContact O-CB 3.42Å; H44-L47 PolarHBondContact O-N 3.14Å; L47-A49 VanDerWaalsContact C-N 3.32Å; L47-A49 PolarHBondContact O-N 2.95Å; L47-A50 PolarHBondContact O-N 3.29Å; L47-A51 PolarHBondContact O-N 3.46Å; L47-W83 HydrophobicContact CD1-CZ3 3.88Å; L47-E86 HydrophobicContact CD1-CG 4.28Å; L47-E86 HydrophobicContact CD2-CG 3.72Å; L47-E86 HydrophobicContact CG-CG 4.44Å; L47-H90 WeakPolarHBondContact CD2-NE2 3.36Å; L47-V115 HydrophobicContact CD1-CG1 4.19Å
48L95.9Very high93.9Very high31 Ų3159.7 Ų59.716%0.16236%0.355CS..Hα-helixtrans-66.5-33.9-179.6-68.4-171.1000112.8H44 H45 G46 A51 L54 W83H44-L48 VanDerWaalsContact CE1-CD1 3.44Å; H44-L48 WeakPolarHBondContact CE1-CD1 3.39Å; H44-L48 WeakPolarHBondContact O-CG 3.26Å; H44-L48 PolarHBondContact O-N 3.24Å; H45-L48 PolarHBondContact O-N 3.08Å; G46-L48 PolarHBondContact O-N 2.89Å; L48-A51 CarbonylContact O-C 3.39Å; L48-L54 HydrophobicContact CD2-CB 4.37Å; L48-W83 HydrophobicContact CD2-CH2 3.87Å; L48-W83 HydrophobicContact CD2-CZ2 3.76Å
49A95.1Very high93.5Very high80 Ų8059.4 Ų59.466%0.66137%0.365SS*.Hα-helixtrans-68.9-39.8174.800000111.9H45 G46 L47H45-A49 WeakPolarHBondContact O-CB 3.33Å; H45-A49 PolarHBondContact O-N 2.92Å; G46-A49 PolarHBondContact O-N 3.2Å; L47-A49 VanDerWaalsContact C-N 3.32Å; L47-A49 PolarHBondContact O-N 2.95Å
50A93.3Very high93.1Very high82 Ų8258 Ų5868%0.67836%0.361SS*.Hα-helixtrans-73.8-31.4178.500000113G46 L47G46-A50 WeakPolarHBondContact O-CB 3.5Å; G46-A50 PolarHBondContact O-N 3.48Å; L47-A50 PolarHBondContact O-N 3.29Å
51A91.5Very high92.5Very high23 Ų2368.7 Ų68.719%0.1940%0.401CS..  trans-128.978-179.400000111.8L47 L48 G53 L54L47-A51 PolarHBondContact O-N 3.46Å; L48-A51 CarbonylContact O-C 3.39Å; A51-G53 PolarHBondContact O-N 3.28Å; A51-L54 HydrophobicContact CB-CB 4.44Å; A51-L54 HydrophobicContact CB-CD1 3.91Å; A51-L54 HydrophobicContact CB-CG 4.05Å; A51-L54 WeakPolarHBondContact O-CB 3.36Å; A51-L54 PolarHBondContact O-N 3.2Å
52P86.3Confident91.6Very high103 Ų10364.7 Ų64.767%0.66938%0.382SS*.G310 helixtrans-58.1-25-178.2-26.535.1000114.4L54 G55P52-L54 PolarHBondContact O-N 2.76Å; P52-G55 PolarHBondContact O-N 3.04Å
53G89.1Confident90.8Very high58 Ų5863.9 Ų63.960%0.59838%0.384SS*.G310 helixtrans-64.4-17.517500000114.5A51 A58A51-G53 PolarHBondContact O-N 3.28Å; G53-A58 VanDerWaalsContact O-CB 3.26Å; G53-A58 WeakPolarHBondContact O-CB 3.46Å
54L92.4Very high90Very high3 Ų368.2 Ų68.22%0.01642%0.416CS..G310 helixtrans-94.6-0.6177.3-63.4-174.5000113.8L48 A51 P52 E82 W83 E86 P109L48-L54 HydrophobicContact CD2-CB 4.37Å; A51-L54 HydrophobicContact CB-CB 4.44Å; A51-L54 HydrophobicContact CB-CD1 3.91Å; A51-L54 HydrophobicContact CB-CG 4.05Å; A51-L54 WeakPolarHBondContact O-CB 3.36Å; A51-L54 PolarHBondContact O-N 3.2Å; P52-L54 PolarHBondContact O-N 2.76Å; L54-E82 HydrophobicContact CD2-CB 3.69Å; L54-W83 HydrophobicContact CB-CD2 4.5Å; L54-W83 HydrophobicContact CB-CZ2 3.77Å; L54-W83 HydrophobicContact CD1-CD2 4Å; L54-W83 HydrophobicContact CD1-CE3 4.29Å; L54-W83 HydrophobicContact CD1-CG 4.29Å; L54-W83 HydrophobicContact CD1-CZ2 4.44Å; L54-W83 HydrophobicContact CD2-CD2 4.49Å; L54-W83 HydrophobicContact CD2-CG 4.14Å; L54-W83 WeakPolarHBondContact O-CZ2 3.37Å; L54-E86 HydrophobicContact CD1-CB 4.37Å; L54-P109 WeakPolarHBondContact O-CB 3.22Å
55G89.8Confident89.4Confident11 Ų1176.7 Ų76.711%0.11345%0.447CS..SBendtrans-63.4179.7-17600000114.8P52 R57 A58P52-G55 PolarHBondContact O-N 3.04Å; G55-R57 PolarHBondContact O-N 2.98Å; G55-A58 WeakPolarHBondContact O-CA 3.43Å; G55-A58 WeakPolarHBondContact O-CB 3.45Å; G55-A58 PolarHBondContact O-N 3.37Å
56P87.9Confident89.1Confident90 Ų9071.1 Ų71.158%0.58442%0.422SS*.THydrogen-bonded Turntrans-55.7-19.6-171.7-30.436.7000116.5V110P56-V110 HydrophobicContact CB-CG1 3.88Å; P56-V110 HydrophobicContact CG-CG1 4.35Å
57R87.6Confident88.8Confident244 Ų24472.8 Ų72.892%0.92143%0.427SS*.THydrogen-bonded Turntrans-83.9-11.9176.3-62.2-176.3-178.6-175.90.9113.2G55 V59G55-R57 PolarHBondContact O-N 2.98Å; R57-V59 PolarHBondContact O-N 3.38Å
58A88.3Confident88.6Confident16 Ų1673.6 Ų73.613%0.13243%0.433CS..  trans-74114.6175.500000108.8G53 G55 V79 P109G53-A58 VanDerWaalsContact O-CB 3.26Å; G53-A58 WeakPolarHBondContact O-CB 3.46Å; G55-A58 WeakPolarHBondContact O-CA 3.43Å; G55-A58 WeakPolarHBondContact O-CB 3.45Å; G55-A58 PolarHBondContact O-N 3.37Å; A58-V79 HydrophobicContact CB-CG1 3.83Å; A58-V79 HydrophobicContact CB-CG2 4.23Å; A58-P109 WeakPolarHBondContact O-CG 3.45Å
59V86.8Confident88.2Confident99 Ų9981.6 Ų81.660%0.646%0.461SS*.  trans-111.6133.3-178.2-177.30000109.6R57 R61R57-V59 PolarHBondContact O-N 3.38Å; V59-R61 PolarHBondContact O-N 2.98Å
60C88.9Confident87.8Confident27 Ų2781.4 Ų81.418%0.18246%0.459CS..  trans-62.6108.2168.3175.30000109.9G62 C66C60-G62 VanDerWaalsContact C-N 3.3Å; C60-C66 VanDerWaalsContact SG-CB 3.58Å
61R85.9Confident87.6Confident231 Ų23182.2 Ų82.287%0.87245%0.445SS*.THydrogen-bonded Turntrans-80.9-11.7175.2-62.4-174.9-176.6-120.22113.2V59V59-R61 PolarHBondContact O-N 2.98Å
62G79.5Confident87.5Confident9 Ų987.9 Ų87.99%0.09347%0.467CS..THydrogen-bonded Turntrans-78.4-19.4-17800000114.2C60 S64 R65C60-G62 VanDerWaalsContact C-N 3.3Å; G62-S64 PolarHBondContact O-N 3.36Å; G62-R65 VanDerWaalsContact O-CB 3.3Å; G62-R65 WeakPolarHBondContact O-CB 3.3Å; G62-R65 PolarHBondContact O-N 3.12Å
63G81.6Confident87.9Confident48 Ų4883.3 Ų83.350%0.49544%0.437SS..G310 helixtrans51.8-128.3-175.700000111.5R65 C66G63-R65 PolarHBondContact O-N 3.24Å; G63-R65 VanDerWaalsContact O-N 3.15Å; G63-C66 PolarHBondContact O-N 3.24Å
64S81.3Confident88Confident104 Ų10487.8 Ų87.873%0.72744%0.442SS*.G310 helixtrans-60.3-20.8177.356.50000114.6G62 C66 S67G62-S64 PolarHBondContact O-N 3.36Å; S64-C66 PolarHBondContact O-N 2.87Å; S64-S67 WeakPolarHBondContact O-CB 3.27Å; S64-S67 PolarHBondContact O-N 3.15Å; S64-S67 PolarHBondContact O-OG 3.33Å
65R85.4Confident88Confident186 Ų18688.9 Ų88.970%0.70245%0.45SS*.G310 helixtrans-74.9-7.2175.4-62.2-177.4-82-158.1-4.8113.2G62 G63 Q76G62-R65 VanDerWaalsContact O-CB 3.3Å; G62-R65 WeakPolarHBondContact O-CB 3.3Å; G62-R65 PolarHBondContact O-N 3.12Å; G63-R65 PolarHBondContact O-N 3.24Å; G63-R65 VanDerWaalsContact O-N 3.15Å; R65-Q76 HydrophobicContact CB-CB 4.22Å; R65-Q76 HydrophobicContact CB-CG 4.13Å
66C91.2Very high88Confident4 Ų494.7 Ų94.73%0.02747%0.474CS..G310 helixtrans-112.926.3170.7-67.60000111.3C60 G63 S64 P68 F73 Q76 C77 C80 P105C60-C66 VanDerWaalsContact SG-CB 3.58Å; G63-C66 PolarHBondContact O-N 3.24Å; S64-C66 PolarHBondContact O-N 2.87Å; C66-P68 WeakPolarHBondContact O-CD 3.28Å; C66-F73 HydrophobicContact CB-CE2 4.41Å; C66-F73 WeakPolarHBondContact O-CE2 3.49Å; C66-Q76 PolarHBondContact SG-N 3.06Å; C66-Q76 VanDerWaalsContact SG-N 3.36Å; C66-C77 VanDerWaalsContact SG-SG 3.69Å; C66-C80 HydrophobicContact CB-CB 4.45Å; C66-P105 WeakPolarHBondContact O-CG 3.47Å
67S90.4Very high88.3Confident75 Ų7591.2 Ų91.252%0.52445%0.452SS..  trans-83.3121.6171.3-65.20000110.1S64S64-S67 WeakPolarHBondContact O-CB 3.27Å; S64-S67 PolarHBondContact O-N 3.15Å; S64-S67 PolarHBondContact O-OG 3.33Å
68P91.9Very high88.5Confident22 Ų2285.9 Ų85.914%0.14344%0.437CS..  trans-68159.2173.2-17.431.6000112.7C66 F73 W100 P105C66-P68 WeakPolarHBondContact O-CD 3.28Å; P68-F73 HydrophobicContact CB-CB 4.29Å; P68-F73 HydrophobicContact CB-CD2 4.01Å; P68-F73 HydrophobicContact CB-CG 4.35Å; P68-F73 HydrophobicContact CG-CD2 3.72Å; P68-F73 HydrophobicContact CG-CE2 4.02Å; P68-F73 HydrophobicContact CG-CG 4.21Å; P68-W100 VanDerWaalsContact CB-C 3.45Å; P68-W100 HydrophobicContact CB-CB 3.51Å; P68-W100 WeakPolarHBondContact CB-O 3.47Å; P68-W100 HydrophobicContact CG-CB 4.17Å; P68-W100 WeakPolarHBondContact CG-O 3.37Å; P68-P105 HydrophobicContact CG-CG 3.62Å
69R87.5Confident88.7Confident199 Ų19986.5 Ų86.575%0.75144%0.439SS*.BIsolated β-bridgetrans-134.4113.7173.2-65.4-175.3-177.9-169.6-1109.5R71 Q72R69-R71 PolarHBondContact O-N 3.42Å; R69-Q72 PolarHBondContact N-O 2.99Å; R69-Q72 WeakPolarHBondContact O-CA 3.39Å; R69-Q72 PolarHBondContact O-N 3.43Å
70A86.4Confident89.1Confident76 Ų7681.8 Ų81.863%0.62841%0.411SS*.THydrogen-bonded Turntrans47.1-110.6-178.700000112.1H99 W100 G101A70-H99 CarbonylContact O-C 3.43Å; A70-W100 PolarHBondContact O-N 3.36Å; A70-G101 PolarHBondContact O-N 3.33Å
71R90.2Very high89.4Confident99 Ų9982.1 Ų82.137%0.37442%0.415SS..THydrogen-bonded Turntrans-92.80.2179.2-58.7-179.7-171.2-158.75.8114.5R69 D97 V98 W100 E260R69-R71 PolarHBondContact O-N 3.42Å; R71-D97 IonicContact CZ-OD2 2.75Å; R71-D97 VanDerWaalsContact NH1-CG 3.27Å; R71-D97 IonicContact NH1-OD2 3.58Å; R71-D97 PolarHBondContact NH1-OD2 3.46Å; R71-V98 WeakPolarHBondContact CA-O 3.4Å; R71-W100 VanDerWaalsContact O-CD1 3.25Å; R71-E260 IonicContact CZ-OE1 2.66Å; R71-E260 IonicContact NH2-OE1 3.52Å; R71-E260 PolarHBondContact NH2-OE1 2.85Å
72Q90Very high89.9Confident141 Ų14174.3 Ų74.366%0.65939%0.389SS*.BIsolated β-bridgetrans-107.9131.5-174.3-62-179.85.900111.5R69R69-Q72 PolarHBondContact N-O 2.99Å; R69-Q72 WeakPolarHBondContact O-CA 3.39Å; R69-Q72 PolarHBondContact O-N 3.43Å
73F93.1Very high90.7Very high8 Ų873.9 Ų73.94%0.03538%0.384CS..  trans-145.5112.1171.7-177.4-134.7000111.3C66 P68 P75 C80 K84 W100 P105 W108C66-F73 HydrophobicContact CB-CE2 4.41Å; C66-F73 WeakPolarHBondContact O-CE2 3.49Å; P68-F73 HydrophobicContact CB-CB 4.29Å; P68-F73 HydrophobicContact CB-CD2 4.01Å; P68-F73 HydrophobicContact CB-CG 4.35Å; P68-F73 HydrophobicContact CG-CD2 3.72Å; P68-F73 HydrophobicContact CG-CE2 4.02Å; P68-F73 HydrophobicContact CG-CG 4.21Å; F73-P75 HydrophobicContact CD1-CG 4.45Å; F73-P75 HydrophobicContact CE1-CB 4.05Å; F73-P75 HydrophobicContact CE1-CG 4Å; F73-P75 HydrophobicContact CE2-CB 4.11Å; F73-P75 HydrophobicContact CZ-CB 3.69Å; F73-P75 HydrophobicContact CZ-CG 4.16Å; F73-P75 WeakPolarHBondContact O-CD 3.49Å; F73-C80 HydrophobicContact CZ-CB 3.96Å; F73-K84 HydrophobicContact CD1-CB 4.23Å; F73-K84 HydrophobicContact CD1-CD 3.84Å; F73-K84 HydrophobicContact CD1-CG 4.08Å; F73-K84 HydrophobicContact CE1-CB 4.08Å; F73-K84 HydrophobicContact CE1-CD 4.37Å; F73-K84 HydrophobicContact CE1-CG 4.44Å; F73-K84 PolarHBondContact O-NZ 2.93Å; F73-W100 HydrophobicContact CB-CB 3.75Å; F73-W100 HydrophobicContact CB-CD2 3.78Å; F73-W100 HydrophobicContact CB-CE3 4.48Å; F73-W100 HydrophobicContact CB-CG 3.42Å; F73-W100 VanDerWaalsContact CB-CG 3.42Å; F73-W100 HydrophobicContact CD1-CD2 4.1Å; F73-W100 HydrophobicContact CD1-CE3 4.01Å; F73-W100 HydrophobicContact CD1-CZ3 4.43Å; F73-W100 HydrophobicContact CG-CB 4.47Å; F73-W100 HydrophobicContact CG-CD2 4.32Å; F73-W100 HydrophobicContact CG-CG 4.3Å; F73-P105 HydrophobicContact CE1-CG 4.37Å; F73-P105 HydrophobicContact CE2-CG 3.91Å; F73-P105 HydrophobicContact CZ-CB 4.01Å; F73-P105 HydrophobicContact CZ-CG 3.66Å; F73-W108 HydrophobicContact CD1-CH2 4.14Å; F73-W108 AromaticContact CE1-CH2 3.47Å; F73-W108 HydrophobicContact CE1-CH2 3.47Å; F73-W108 VanDerWaalsContact CE1-CH2 3.47Å; F73-W108 AromaticContact CE1-CZ3 3.8Å; F73-W108 HydrophobicContact CE1-CZ3 3.8Å; F73-W108 HydrophobicContact CZ-CH2 4.03Å; F73-W108 HydrophobicContact CZ-CZ3 4.16Å
74Q92.3Very high91.3Very high152 Ų15274.3 Ų74.371%0.7137%0.373SS*.  trans-118.881.8177.6-67-176.51.800109.4Q76Q74-Q76 PolarHBondContact O-N 3.17Å; Q74-Q76 PolarHBondContact O-NE2 3.27Å
75P91.9Very high91.9Very high26 Ų2675.1 Ų75.117%0.16937%0.365CS..  trans-62.8135.5-176.124.1-32000111.5F73 C80 A81 K84F73-P75 HydrophobicContact CD1-CG 4.45Å; F73-P75 HydrophobicContact CE1-CB 4.05Å; F73-P75 HydrophobicContact CE1-CG 4Å; F73-P75 HydrophobicContact CE2-CB 4.11Å; F73-P75 HydrophobicContact CZ-CB 3.69Å; F73-P75 HydrophobicContact CZ-CG 4.16Å; F73-P75 WeakPolarHBondContact O-CD 3.49Å; P75-C80 HydrophobicContact CB-CB 3.55Å; P75-A81 HydrophobicContact CB-CB 4.49Å; P75-A81 HydrophobicContact CG-CB 4Å; P75-K84 HydrophobicContact CG-CD 4.2Å
76Q90.4Very high92.4Very high132 Ų13266.9 Ų66.962%0.61733%0.334SS*.SBendtrans-10010.1177.1-59.6-61.2-47.100112.6R65 C66 Q74R65-Q76 HydrophobicContact CB-CB 4.22Å; R65-Q76 HydrophobicContact CB-CG 4.13Å; C66-Q76 PolarHBondContact SG-N 3.06Å; C66-Q76 VanDerWaalsContact SG-N 3.36Å; Q74-Q76 PolarHBondContact O-N 3.17Å; Q74-Q76 PolarHBondContact O-NE2 3.27Å
77C93.3Very high92.6Very high18 Ų1866.7 Ų66.712%0.12233%0.333CS..SBendtrans-134.6149.8175.381.20000111.5C66 V79 C80 A81C66-C77 VanDerWaalsContact SG-SG 3.69Å; C77-V79 PolarHBondContact O-N 3.35Å; C77-C80 PolarHBondContact O-N 3.39Å; C77-A81 PolarHBondContact O-N 3.05Å
78Q92.4Very high92.8Very high131 Ų13165.5 Ų65.561%0.61232%0.32SS*.Hα-helixtrans-59.5-45.3-173.7-173.360.823.900112.5C80 A81 E82Q78-C80 PolarHBondContact O-N 3.07Å; Q78-A81 WeakPolarHBondContact O-CB 3.38Å; Q78-A81 PolarHBondContact O-N 2.86Å; Q78-A81 VanDerWaalsContact O-N 3.11Å; Q78-E82 HydrophobicContact CG-CG 4.47Å; Q78-E82 VanDerWaalsContact CG-OE1 3.27Å; Q78-E82 WeakPolarHBondContact CG-OE1 3.49Å; Q78-E82 PolarHBondContact NE2-OE1 3.43Å; Q78-E82 WeakPolarHBondContact O-CG 3.44Å; Q78-E82 PolarHBondContact O-N 3.33Å
79V93.1Very high93Very high30 Ų3069.4 Ų69.418%0.18233%0.332CS..Hα-helixtrans-57.5-47.1179.8175.10000111.6A58 C77 A81 E82 W83A58-V79 HydrophobicContact CB-CG1 3.83Å; A58-V79 HydrophobicContact CB-CG2 4.23Å; C77-V79 PolarHBondContact O-N 3.35Å; V79-A81 VanDerWaalsContact C-N 3.34Å; V79-E82 PolarHBondContact O-N 3.36Å; V79-W83 PolarHBondContact O-N 3.11Å
80C94.9Very high93.4Very high0 Ų061.9 Ų61.90%031%0.305CS..Hα-helixtrans-70.8-30.6178.7-70.90000112.8C66 F73 P75 C77 Q78 K84C66-C80 HydrophobicContact CB-CB 4.45Å; F73-C80 HydrophobicContact CZ-CB 3.96Å; P75-C80 HydrophobicContact CB-CB 3.55Å; C77-C80 PolarHBondContact O-N 3.39Å; Q78-C80 PolarHBondContact O-N 3.07Å; C80-K84 WeakPolarHBondContact O-CB 3.49Å; C80-K84 PolarHBondContact O-N 3.05Å
81A94.7Very high93.8Very high34 Ų3458.8 Ų58.828%0.28128%0.278SS..Hα-helixtrans-67.3-43.4174.900000111.5P75 C77 Q78 V79 K84 Q85P75-A81 HydrophobicContact CB-CB 4.49Å; P75-A81 HydrophobicContact CG-CB 4Å; C77-A81 PolarHBondContact O-N 3.05Å; Q78-A81 WeakPolarHBondContact O-CB 3.38Å; Q78-A81 PolarHBondContact O-N 2.86Å; Q78-A81 VanDerWaalsContact O-N 3.11Å; V79-A81 VanDerWaalsContact C-N 3.34Å; A81-K84 PolarHBondContact O-N 3.45Å; A81-Q85 PolarHBondContact O-N 3.42Å
82E95.6Very high93.9Very high66 Ų6657.2 Ų57.231%0.30828%0.279SS..Hα-helixtrans-65.4-45175.7-72.2173.8-166.500111.6L54 Q78 V79 K84 Q85 E86L54-E82 HydrophobicContact CD2-CB 3.69Å; Q78-E82 HydrophobicContact CG-CG 4.47Å; Q78-E82 VanDerWaalsContact CG-OE1 3.27Å; Q78-E82 WeakPolarHBondContact CG-OE1 3.49Å; Q78-E82 PolarHBondContact NE2-OE1 3.43Å; Q78-E82 WeakPolarHBondContact O-CG 3.44Å; Q78-E82 PolarHBondContact O-N 3.33Å; V79-E82 PolarHBondContact O-N 3.36Å; E82-K84 VanDerWaalsContact C-N 3.35Å; E82-K84 PolarHBondContact O-N 3.23Å; E82-Q85 WeakPolarHBondContact O-CB 3.24Å; E82-Q85 PolarHBondContact O-N 3.07Å; E82-Q85 VanDerWaalsContact O-N 3.15Å; E82-E86 PolarHBondContact O-N 3.28Å
83W96.3Very high93.6Very high1 Ų155 Ų550%0.00427%0.272CS..Hα-helixtrans-58.1-45.1172.7-91.7112.7000112.8H44 L47 L48 L54 V79 Q85 E86 I87 W108 V115H44-W83 AromaticContact NE2-CH2 3.94Å; L47-W83 HydrophobicContact CD1-CZ3 3.88Å; L48-W83 HydrophobicContact CD2-CH2 3.87Å; L48-W83 HydrophobicContact CD2-CZ2 3.76Å; L54-W83 HydrophobicContact CB-CD2 4.5Å; L54-W83 HydrophobicContact CB-CZ2 3.77Å; L54-W83 HydrophobicContact CD1-CD2 4Å; L54-W83 HydrophobicContact CD1-CE3 4.29Å; L54-W83 HydrophobicContact CD1-CG 4.29Å; L54-W83 HydrophobicContact CD1-CZ2 4.44Å; L54-W83 HydrophobicContact CD2-CD2 4.49Å; L54-W83 HydrophobicContact CD2-CG 4.14Å; L54-W83 WeakPolarHBondContact O-CZ2 3.37Å; V79-W83 PolarHBondContact O-N 3.11Å; W83-Q85 VanDerWaalsContact C-N 3.27Å; W83-Q85 PolarHBondContact O-N 3.24Å; W83-E86 PolarHBondContact O-N 3.19Å; W83-I87 WeakPolarHBondContact O-CB 3.29Å; W83-I87 VanDerWaalsContact O-CG1 3.3Å; W83-I87 WeakPolarHBondContact O-CG1 3.24Å; W83-I87 PolarHBondContact O-N 3.02Å; W83-W108 HydrophobicContact CB-CD2 4.22Å; W83-W108 HydrophobicContact CB-CE3 3.26Å; W83-W108 HydrophobicContact CB-CZ3 3.55Å; W83-W108 HydrophobicContact CD2-CB 3.67Å; W83-W108 HydrophobicContact CD2-CE3 4.28Å; W83-W108 HydrophobicContact CD2-CG 4.39Å; W83-W108 HydrophobicContact CE3-CB 4.05Å; W83-W108 HydrophobicContact CG-CB 4.04Å; W83-W108 HydrophobicContact CG-CD2 4.3Å; W83-W108 AromaticContact CG-CE3 3.61Å; W83-W108 HydrophobicContact CG-CE3 3.61Å; W83-W108 HydrophobicContact CG-CZ3 4.37Å; W83-W108 HydrophobicContact CH2-CB 4.47Å; W83-W108 HydrophobicContact CZ2-CB 4.13Å; W83-W108 WeakPolarHBondContact CZ2-O 3.47Å; W83-W108 HydrophobicContact CZ3-CB 4.43Å; W83-V115 HydrophobicContact CE3-CG2 4.33Å; W83-V115 HydrophobicContact CH2-CG2 4.26Å; W83-V115 HydrophobicContact CZ3-CG1 4.4Å; W83-V115 HydrophobicContact CZ3-CG2 3.82Å
84K95Very high92.7Very high57 Ų5762.5 Ų62.525%0.24830%0.3CS..Hα-helixtrans-57.7-44176-177.2-174.7177-177.40110.8F73 P75 C80 A81 E82 E86 L88 W100F73-K84 HydrophobicContact CD1-CB 4.23Å; F73-K84 HydrophobicContact CD1-CD 3.84Å; F73-K84 HydrophobicContact CD1-CG 4.08Å; F73-K84 HydrophobicContact CE1-CB 4.08Å; F73-K84 HydrophobicContact CE1-CD 4.37Å; F73-K84 HydrophobicContact CE1-CG 4.44Å; F73-K84 PolarHBondContact O-NZ 2.93Å; P75-K84 HydrophobicContact CG-CD 4.2Å; C80-K84 WeakPolarHBondContact O-CB 3.49Å; C80-K84 PolarHBondContact O-N 3.05Å; A81-K84 PolarHBondContact O-N 3.45Å; E82-K84 VanDerWaalsContact C-N 3.35Å; E82-K84 PolarHBondContact O-N 3.23Å; K84-E86 VanDerWaalsContact C-N 3.35Å; K84-L88 HydrophobicContact CG-CD1 4.05Å; K84-L88 WeakPolarHBondContact O-CB 3.44Å; K84-L88 VanDerWaalsContact O-CG 3.26Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 2.76Å; K84-W100 HydrophobicContact CB-CH2 4.48Å; K84-W100 HydrophobicContact CD-CZ2 4.48Å; K84-W100 HydrophobicContact CG-CH2 3.7Å; K84-W100 HydrophobicContact CG-CZ2 3.87Å; K84-W100 HydrophobicContact CG-CZ3 4.34Å
85Q94.5Very high91.8Very high120 Ų12062.8 Ų62.856%0.56131%0.306SS*.Hα-helixtrans-63.9-40.9178.4-173.6-178.31.200111.7A81 E82 W83 L88 R89A81-Q85 PolarHBondContact O-N 3.42Å; E82-Q85 WeakPolarHBondContact O-CB 3.24Å; E82-Q85 PolarHBondContact O-N 3.07Å; E82-Q85 VanDerWaalsContact O-N 3.15Å; W83-Q85 VanDerWaalsContact C-N 3.27Å; W83-Q85 PolarHBondContact O-N 3.24Å; Q85-L88 PolarHBondContact O-N 2.71Å; Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 PolarHBondContact O-N 3.35Å
86E95.5Very high90.9Very high13 Ų1362.4 Ų62.46%0.06131%0.307CS..Hα-helixtrans-63.9-49.4177.9-161.460.5-134.500111.7L47 L54 E82 W83 K84 L88 R89 H90L47-E86 HydrophobicContact CD1-CG 4.28Å; L47-E86 HydrophobicContact CD2-CG 3.72Å; L47-E86 HydrophobicContact CG-CG 4.44Å; L54-E86 HydrophobicContact CD1-CB 4.37Å; E82-E86 PolarHBondContact O-N 3.28Å; W83-E86 PolarHBondContact O-N 3.19Å; K84-E86 VanDerWaalsContact C-N 3.35Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.24Å; E86-R89 WeakPolarHBondContact O-CB 3.38Å; E86-R89 PolarHBondContact O-N 3.33Å; E86-R89 VanDerWaalsContact O-N 3.11Å; E86-R89 IonicContact OE1-CZ 3.94Å; E86-R89 IonicContact OE1-NH1 3.21Å; E86-R89 PolarHBondContact OE1-NH1 2.85Å; E86-R89 IonicContact OE2-CZ 3.08Å; E86-R89 IonicContact OE2-NH1 2.68Å; E86-R89 PolarHBondContact OE2-NH1 3.41Å; E86-R89 IonicContact OE2-NH2 2.85Å; E86-R89 PolarHBondContact OE2-NH2 3.46Å; E86-R89 VanDerWaalsContact OE2-NH2 3.08Å; E86-H90 PolarHBondContact O-CD2 3.05Å; E86-H90 PolarHBondContact O-N 3.45Å; E86-H90 IonicContact OE1-CD2 2.99Å; E86-H90 IonicContact OE1-NE2 2.87Å; E86-H90 PolarHBondContact OE1-NE2 3.09Å
87I95.8Very high90.5Very high0 Ų061.1 Ų61.10%030%0.304CS..Hα-helixtrans-56.9-47176.6-70.1167.2000110.6W83 R89 H90 H91 W100 W108 V115 A118 F119W83-I87 WeakPolarHBondContact O-CB 3.29Å; W83-I87 VanDerWaalsContact O-CG1 3.3Å; W83-I87 WeakPolarHBondContact O-CG1 3.24Å; W83-I87 PolarHBondContact O-N 3.02Å; I87-R89 VanDerWaalsContact C-N 3.31Å; I87-R89 PolarHBondContact O-N 3.42Å; I87-H90 PolarHBondContact O-N 3.41Å; I87-H91 PolarHBondContact O-N 3.21Å; I87-W100 HydrophobicContact CB-CH2 4.29Å; I87-W100 HydrophobicContact CB-CZ3 4.42Å; I87-W100 HydrophobicContact CD1-CZ3 4.11Å; I87-W100 HydrophobicContact CG2-CH2 3.86Å; I87-W100 HydrophobicContact CG2-CZ3 3.97Å; I87-W108 HydrophobicContact CD1-CD2 4.12Å; I87-W108 HydrophobicContact CD1-CE3 4.45Å; I87-W108 HydrophobicContact CD1-CH2 4.03Å; I87-W108 HydrophobicContact CD1-CZ2 3.72Å; I87-W108 HydrophobicContact CD1-CZ3 4.39Å; I87-V115 HydrophobicContact CD1-CG1 4.24Å; I87-V115 HydrophobicContact CG1-CG1 3.92Å; I87-A118 HydrophobicContact CD1-CB 4.49Å; I87-A118 HydrophobicContact CG2-CB 3.54Å; I87-F119 HydrophobicContact CG2-CE2 4.12Å; I87-F119 HydrophobicContact CG2-CZ 3.94Å; I87-F119 WeakPolarHBondContact O-CZ 3.22Å
88L94.9Very high90.5Very high50 Ų5060.5 Ų60.526%0.26230%0.3SS..Hα-helixtrans-66.9-30.3179.1-73.2175000113.1K84 Q85 E86 H90 H91 V98 W100K84-L88 HydrophobicContact CG-CD1 4.05Å; K84-L88 WeakPolarHBondContact O-CB 3.44Å; K84-L88 VanDerWaalsContact O-CG 3.26Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 2.76Å; Q85-L88 PolarHBondContact O-N 2.71Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.24Å; L88-H90 VanDerWaalsContact C-N 3.27Å; L88-H90 PolarHBondContact O-N 2.97Å; L88-H91 PolarHBondContact O-N 2.74Å; L88-V98 HydrophobicContact CD2-CG2 4.05Å; L88-W100 HydrophobicContact CD1-CZ2 4.37Å; L88-W100 HydrophobicContact CD2-CH2 4.31Å; L88-W100 HydrophobicContact CD2-CZ2 3.94Å; L88-W100 HydrophobicContact CG-CH2 4.14Å; L88-W100 HydrophobicContact CG-CZ2 4.08Å
89R94.9Very high90.6Very high105 Ų10555.8 Ų55.840%0.39628%0.278SS..Hα-helixtrans-62.8-39.6177.3-171.2-177.1-55.913714.6111.6Q85 E86 I87 H91 R94Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 PolarHBondContact O-N 3.35Å; E86-R89 WeakPolarHBondContact O-CB 3.38Å; E86-R89 PolarHBondContact O-N 3.33Å; E86-R89 VanDerWaalsContact O-N 3.11Å; E86-R89 IonicContact OE1-CZ 3.94Å; E86-R89 IonicContact OE1-NH1 3.21Å; E86-R89 PolarHBondContact OE1-NH1 2.85Å; E86-R89 IonicContact OE2-CZ 3.08Å; E86-R89 IonicContact OE2-NH1 2.68Å; E86-R89 PolarHBondContact OE2-NH1 3.41Å; E86-R89 IonicContact OE2-NH2 2.85Å; E86-R89 PolarHBondContact OE2-NH2 3.46Å; E86-R89 VanDerWaalsContact OE2-NH2 3.08Å; I87-R89 VanDerWaalsContact C-N 3.31Å; I87-R89 PolarHBondContact O-N 3.42Å; R89-H91 VanDerWaalsContact C-N 3.32Å; R89-R94 PolarHBondContact O-NH2 2.93Å
90H95.5Very high90.7Very high40 Ų4055 Ų5519%0.18527%0.272CS..THydrogen-bonded Turntrans-86.6-0.2179.4-73.6-70.7000113.8F43 L47 E86 I87 L88 F119 C145 D146F43-H90 HydrophobicContact CE2-CB 4.1Å; F43-H90 AromaticContact CE2-CD2 3.94Å; F43-H90 AromaticContact CE2-CG 3.67Å; F43-H90 AromaticContact CE2-ND1 3.8Å; F43-H90 HydrophobicContact CZ-CB 3.78Å; F43-H90 AromaticContact CZ-CG 3.77Å; L47-H90 WeakPolarHBondContact CD2-NE2 3.36Å; E86-H90 PolarHBondContact O-CD2 3.05Å; E86-H90 PolarHBondContact O-N 3.45Å; E86-H90 IonicContact OE1-CD2 2.99Å; E86-H90 IonicContact OE1-NE2 2.87Å; E86-H90 PolarHBondContact OE1-NE2 3.09Å; I87-H90 PolarHBondContact O-N 3.41Å; L88-H90 VanDerWaalsContact C-N 3.27Å; L88-H90 PolarHBondContact O-N 2.97Å; H90-F119 HydrophobicContact CB-CE1 4.43Å; H90-F119 HydrophobicContact CB-CZ 4.16Å; H90-C145 WeakPolarHBondContact O-CA 3.09Å; H90-D146 WeakPolarHBondContact CA-OD1 3.39Å; H90-D146 WeakPolarHBondContact CB-OD1 3.31Å; H90-D146 IonicContact CE1-OD1 3.6Å; H90-D146 IonicContact CG-OD1 3.45Å; H90-D146 IonicContact ND1-OD1 3.71Å; H90-D146 PolarHBondContact ND1-OD1 2.85Å; H90-D146 IonicContact ND1-OD2 3.53Å; H90-D146 PolarHBondContact ND1-OD2 3.11Å; H90-D146 PolarHBondContact O-N 3.38Å
91H95.2Very high90.6Very high12 Ų1256.4 Ų56.46%0.05629%0.286CS..BIsolated β-bridgetrans-83.8120.9174.7-157-80.2000110I87 L88 R89 N93 R94 F119 S144I87-H91 PolarHBondContact O-N 3.21Å; L88-H91 PolarHBondContact O-N 2.74Å; R89-H91 VanDerWaalsContact C-N 3.32Å; H91-N93 VanDerWaalsContact C-N 3.25Å; H91-N93 PolarHBondContact CE1-O 2.93Å; H91-N93 VanDerWaalsContact ND1-C 3.29Å; H91-N93 PolarHBondContact ND1-N 3.03Å; H91-N93 PolarHBondContact ND1-O 2.96Å; H91-N93 PolarHBondContact O-N 3.04Å; H91-R94 WeakPolarHBondContact O-CG 3.37Å; H91-F119 HydrophobicContact CB-CD1 4.48Å; H91-F119 HydrophobicContact CB-CE1 4Å; H91-F119 AromaticContact CD2-CD1 3.46Å; H91-F119 VanDerWaalsContact CD2-CD1 3.46Å; H91-F119 WeakPolarHBondContact CD2-CD1 3.21Å; H91-F119 AromaticContact CD2-CE1 3.79Å; H91-S144 WeakPolarHBondContact CA-O 3.38Å
92V92.3Very high90.6Very high65 Ų6555.1 Ų55.139%0.39428%0.275SS..SBendtrans-60.8-38.4-177.71750000110.9S144 D146V92-S144 WeakPolarHBondContact CG2-O 3.36Å; V92-S144 PolarHBondContact N-O 2.84Å; V92-D146 HydrophobicContact CG2-CB 4.09Å
93N84.6Confident90.6Very high94 Ų9452.3 Ų52.350%0.50326%0.262SS..SBendtrans-102.386.1171.9-175.54.6000110.2H91 N95 G96H91-N93 VanDerWaalsContact C-N 3.25Å; H91-N93 PolarHBondContact CE1-O 2.93Å; H91-N93 VanDerWaalsContact ND1-C 3.29Å; H91-N93 PolarHBondContact ND1-N 3.03Å; H91-N93 PolarHBondContact ND1-O 2.96Å; H91-N93 PolarHBondContact O-N 3.04Å; N93-N95 PolarHBondContact O-N 2.76Å; N93-N95 VanDerWaalsContact O-N 3.11Å; N93-N95 PolarHBondContact OD1-N 3Å; N93-G96 VanDerWaalsContact ND2-CA 3.34Å; N93-G96 WeakPolarHBondContact ND2-CA 3.36Å; N93-G96 WeakPolarHBondContact O-CA 3.5Å; N93-G96 PolarHBondContact O-N 2.79Å; N93-G96 PolarHBondContact OD1-N 2.79Å; N93-G96 VanDerWaalsContact OD1-N 3.13Å
94R72.9Confident90.5Very high166 Ų16657.7 Ų57.763%0.62628%0.283SS*.THydrogen-bonded Turntrans-60.6-23-175.3-65.5-175.6174.8179.6-0.6114.6R89 H91R89-R94 PolarHBondContact O-NH2 2.93Å; H91-R94 WeakPolarHBondContact O-CG 3.37Å
95N73.1Confident90.5Very high159 Ų15955.5 Ų55.585%0.8527%0.274SS*.THydrogen-bonded Turntrans-100.35.1175.8-62.7-17.8000112.3N93N93-N95 PolarHBondContact O-N 2.76Å; N93-N95 VanDerWaalsContact O-N 3.11Å; N93-N95 PolarHBondContact OD1-N 3Å
96G73.3Confident90.4Very high18 Ų1852.3 Ų52.319%0.18627%0.274CS..SBendtrans-73.3156.1178.600000111.8N93 V98N93-G96 VanDerWaalsContact ND2-CA 3.34Å; N93-G96 WeakPolarHBondContact ND2-CA 3.36Å; N93-G96 WeakPolarHBondContact O-CA 3.5Å; N93-G96 PolarHBondContact O-N 2.79Å; N93-G96 PolarHBondContact OD1-N 2.79Å; N93-G96 VanDerWaalsContact OD1-N 3.13Å; G96-V98 PolarHBondContact O-N 3.31Å
97D83.6Confident90.3Very high104 Ų10456.1 Ų56.156%0.55629%0.288SS*.PPolyproline II helixtrans-70.4123.9175.4-73.8-46.9000111R71R71-D97 IonicContact CZ-OD2 2.75Å; R71-D97 VanDerWaalsContact NH1-CG 3.27Å; R71-D97 IonicContact NH1-OD2 3.58Å; R71-D97 PolarHBondContact NH1-OD2 3.46Å
98V92.8Very high90.3Very high6 Ų656.1 Ų56.14%0.03629%0.288CS..PPolyproline II helixtrans-103.5126173.71730000109.1R71 L88 G96 W100 A118R71-V98 WeakPolarHBondContact CA-O 3.4Å; L88-V98 HydrophobicContact CD2-CG2 4.05Å; G96-V98 PolarHBondContact O-N 3.31Å; V98-W100 HydrophobicContact CB-CD2 4.16Å; V98-W100 HydrophobicContact CB-CG 4.46Å; V98-W100 HydrophobicContact CB-CZ2 3.8Å; V98-W100 HydrophobicContact CG1-CD2 3.4Å; V98-W100 VanDerWaalsContact CG1-CD2 3.4Å; V98-W100 HydrophobicContact CG1-CE3 3.73Å; V98-W100 HydrophobicContact CG1-CG 3.88Å; V98-W100 HydrophobicContact CG1-CH2 3.86Å; V98-W100 HydrophobicContact CG1-CZ2 3.56Å; V98-W100 HydrophobicContact CG1-CZ3 3.94Å; V98-W100 HydrophobicContact CG2-CZ2 4.11Å; V98-W100 VanDerWaalsContact O-CD1 3.25Å; V98-W100 PolarHBondContact O-N 2.95Å; V98-A118 HydrophobicContact CG1-CB 4.02Å; V98-A118 WeakPolarHBondContact CG1-O 3.39Å
99H93.5Very high90.3Very high32 Ų3254 Ų5415%0.14828%0.277CS..  trans-81.165.4178.2-62.388.9000110.9A70 G101 N102 M120A70-H99 CarbonylContact O-C 3.43Å; H99-G101 PolarHBondContact O-N 3.02Å; H99-N102 WeakPolarHBondContact O-CB 3.46Å; H99-N102 PolarHBondContact O-N 3.44Å; H99-M120 PolarHBondContact ND1-O 3.17Å
100W94.9Very high90.3Very high12 Ų1253.7 Ų53.75%0.04529%0.287CS..G310 helixtrans-55.4-26.5-177.4-58.3104.6000113.9P68 A70 R71 F73 K84 I87 L88 V98 N102 C103 W108 A118P68-W100 VanDerWaalsContact CB-C 3.45Å; P68-W100 HydrophobicContact CB-CB 3.51Å; P68-W100 WeakPolarHBondContact CB-O 3.47Å; P68-W100 HydrophobicContact CG-CB 4.17Å; P68-W100 WeakPolarHBondContact CG-O 3.37Å; A70-W100 PolarHBondContact O-N 3.36Å; R71-W100 VanDerWaalsContact O-CD1 3.25Å; F73-W100 HydrophobicContact CB-CB 3.75Å; F73-W100 HydrophobicContact CB-CD2 3.78Å; F73-W100 HydrophobicContact CB-CE3 4.48Å; F73-W100 HydrophobicContact CB-CG 3.42Å; F73-W100 VanDerWaalsContact CB-CG 3.42Å; F73-W100 HydrophobicContact CD1-CD2 4.1Å; F73-W100 HydrophobicContact CD1-CE3 4.01Å; F73-W100 HydrophobicContact CD1-CZ3 4.43Å; F73-W100 HydrophobicContact CG-CB 4.47Å; F73-W100 HydrophobicContact CG-CD2 4.32Å; F73-W100 HydrophobicContact CG-CG 4.3Å; K84-W100 HydrophobicContact CB-CH2 4.48Å; K84-W100 HydrophobicContact CD-CZ2 4.48Å; K84-W100 HydrophobicContact CG-CH2 3.7Å; K84-W100 HydrophobicContact CG-CZ2 3.87Å; K84-W100 HydrophobicContact CG-CZ3 4.34Å; I87-W100 HydrophobicContact CB-CH2 4.29Å; I87-W100 HydrophobicContact CB-CZ3 4.42Å; I87-W100 HydrophobicContact CD1-CZ3 4.11Å; I87-W100 HydrophobicContact CG2-CH2 3.86Å; I87-W100 HydrophobicContact CG2-CZ3 3.97Å; L88-W100 HydrophobicContact CD1-CZ2 4.37Å; L88-W100 HydrophobicContact CD2-CH2 4.31Å; L88-W100 HydrophobicContact CD2-CZ2 3.94Å; L88-W100 HydrophobicContact CG-CH2 4.14Å; L88-W100 HydrophobicContact CG-CZ2 4.08Å; V98-W100 HydrophobicContact CB-CD2 4.16Å; V98-W100 HydrophobicContact CB-CG 4.46Å; V98-W100 HydrophobicContact CB-CZ2 3.8Å; V98-W100 HydrophobicContact CG1-CD2 3.4Å; V98-W100 VanDerWaalsContact CG1-CD2 3.4Å; V98-W100 HydrophobicContact CG1-CE3 3.73Å; V98-W100 HydrophobicContact CG1-CG 3.88Å; V98-W100 HydrophobicContact CG1-CH2 3.86Å; V98-W100 HydrophobicContact CG1-CZ2 3.56Å; V98-W100 HydrophobicContact CG1-CZ3 3.94Å; V98-W100 HydrophobicContact CG2-CZ2 4.11Å; V98-W100 VanDerWaalsContact O-CD1 3.25Å; V98-W100 PolarHBondContact O-N 2.95Å; W100-N102 PolarHBondContact O-N 3.14Å; W100-N102 VanDerWaalsContact O-N 3.15Å; W100-C103 WeakPolarHBondContact O-CB 3.46Å; W100-C103 PolarHBondContact O-N 3.24Å; W100-W108 HydrophobicContact CE3-CH2 4.24Å; W100-W108 HydrophobicContact CE3-CZ2 4.22Å; W100-W108 HydrophobicContact CZ3-CH2 4.12Å; W100-W108 HydrophobicContact CZ3-CZ2 4.21Å; W100-A118 HydrophobicContact CZ3-CB 4.25Å
101G93.8Very high90.4Very high30 Ų3053.1 Ų53.131%0.30929%0.285SS..G310 helixtrans-59.8-17.9174.900000114.4A70 H99 C103A70-G101 PolarHBondContact O-N 3.33Å; H99-G101 PolarHBondContact O-N 3.02Å; G101-C103 VanDerWaalsContact C-N 3.29Å
102N95.4Very high90.5Very high8 Ų853 Ų534%0.04329%0.285CS..G310 helixtrans-72.2-24.7169.8-66.6-25.4000112.7H99 W100 K117 P121 G123 L124 A125H99-N102 WeakPolarHBondContact O-CB 3.46Å; H99-N102 PolarHBondContact O-N 3.44Å; W100-N102 PolarHBondContact O-N 3.14Å; W100-N102 VanDerWaalsContact O-N 3.15Å; N102-K117 HydrophobicContact CB-CB 3.94Å; N102-K117 HydrophobicContact CB-CD 4.4Å; N102-K117 PolarHBondContact ND2-O 3.29Å; N102-K117 WeakPolarHBondContact O-CD 3.39Å; N102-P121 PolarHBondContact ND2-O 3.05Å; N102-G123 PolarHBondContact OD1-N 3.44Å; N102-L124 HydrophobicContact CB-CB 4.3Å; N102-L124 PolarHBondContact OD1-N 2.95Å; N102-L124 VanDerWaalsContact OD1-N 3.09Å; N102-A125 WeakPolarHBondContact O-CA 3.45Å
103C95.5Very high90.8Very high6 Ų650.5 Ų50.54%0.04127%0.269CS..  trans-96.4150.2-165.6-560000111.9W100 G101 P105 W108W100-C103 WeakPolarHBondContact O-CB 3.46Å; W100-C103 PolarHBondContact O-N 3.24Å; G101-C103 VanDerWaalsContact C-N 3.29Å; C103-P105 WeakPolarHBondContact O-CD 3.43Å; C103-W108 HydrophobicContact CB-CZ2 3.84Å
104R94Very high91.4Very high115 Ų11546.1 Ų46.143%0.43425%0.246SC..  trans-111.994.4167.7-60.6177.6-175.2-178.61.9109.4G106 R107 E114 D126R104-G106 PolarHBondContact O-N 2.85Å; R104-R107 HydrophobicContact CB-CB 4.44Å; R104-R107 HydrophobicContact CB-CG 4.15Å; R104-R107 WeakPolarHBondContact O-CB 3.31Å; R104-R107 PolarHBondContact O-N 3.43Å; R104-E114 WeakPolarHBondContact CB-OE2 3.21Å; R104-E114 PolarHBondContact N-OE2 3.31Å; R104-D126 IonicContact NH2-OD1 3.51Å; R104-D126 PolarHBondContact NH2-OD1 3.23Å
105P94.3Very high92.5Very high10 Ų1038.2 Ų38.27%0.06522%0.216CC..G310 helixtrans-55.2-28.8-172.4-32.338.9000115.9C66 P68 F73 C103 R107 W108C66-P105 WeakPolarHBondContact O-CG 3.47Å; P68-P105 HydrophobicContact CG-CG 3.62Å; F73-P105 HydrophobicContact CE1-CG 4.37Å; F73-P105 HydrophobicContact CE2-CG 3.91Å; F73-P105 HydrophobicContact CZ-CB 4.01Å; F73-P105 HydrophobicContact CZ-CG 3.66Å; C103-P105 WeakPolarHBondContact O-CD 3.43Å; P105-R107 PolarHBondContact O-N 3.22Å; P105-W108 HydrophobicContact CB-CD2 4.17Å; P105-W108 HydrophobicContact CB-CE3 3.73Å; P105-W108 HydrophobicContact CB-CH2 3.86Å; P105-W108 HydrophobicContact CB-CZ2 4.22Å; P105-W108 HydrophobicContact CB-CZ3 3.59Å; P105-W108 HydrophobicContact CG-CE3 4.47Å; P105-W108 HydrophobicContact CG-CH2 3.74Å; P105-W108 HydrophobicContact CG-CZ2 3.93Å; P105-W108 HydrophobicContact CG-CZ3 4.01Å
106G92.1Very high93.7Very high54 Ų5430.7 Ų30.756%0.55718%0.176SC*.G310 helixtrans-67.5-14.1175.500000114.7R104R104-G106 PolarHBondContact O-N 2.85Å
107R93.9Very high94.9Very high92 Ų9229.9 Ų29.935%0.34717%0.167SC..G310 helixtrans-100.7-16-179.1-64.1-17570.8-170.78.9113.8R104 P105 P109 V110 D111 E114R104-R107 HydrophobicContact CB-CB 4.44Å; R104-R107 HydrophobicContact CB-CG 4.15Å; R104-R107 WeakPolarHBondContact O-CB 3.31Å; R104-R107 PolarHBondContact O-N 3.43Å; P105-R107 PolarHBondContact O-N 3.22Å; R107-P109 VanDerWaalsContact C-N 3.26Å; R107-P109 VanDerWaalsContact O-N 3.1Å; R107-V110 WeakPolarHBondContact O-CG2 3.31Å; R107-V110 PolarHBondContact O-N 3.12Å; R107-D111 HydrophobicContact CB-CB 4.08Å; R107-D111 IonicContact CZ-OD2 3.88Å; R107-D111 IonicContact NE-OD2 2.85Å; R107-D111 PolarHBondContact NE-OD2 2.86Å; R107-D111 IonicContact NH1-OD2 3.4Å; R107-D111 IonicContact NH2-OD2 2.61Å; R107-D111 PolarHBondContact NH2-OD2 3.2Å; R107-D111 WeakPolarHBondContact O-CB 3.38Å; R107-D111 PolarHBondContact O-N 3.22Å; R107-E114 HydrophobicContact CB-CB 4.13Å; R107-E114 HydrophobicContact CB-CG 3.73Å; R107-E114 HydrophobicContact CG-CG 4.49Å; R107-E114 IonicContact CZ-OE1 2.92Å; R107-E114 IonicContact NH1-OE1 3.36Å; R107-E114 PolarHBondContact NH1-OE1 3.46Å
108W95.8Very high95.5Very high0 Ų025 Ų250%014%0.141CC..THydrogen-bonded Turntrans-49.4-36.7179.8-66-30.1000115.1H44 F73 W83 I87 W100 C103 P105 V110 E114 V115H44-W108 PolarHBondContact NE2-O 2.95Å; F73-W108 HydrophobicContact CD1-CH2 4.14Å; F73-W108 AromaticContact CE1-CH2 3.47Å; F73-W108 HydrophobicContact CE1-CH2 3.47Å; F73-W108 VanDerWaalsContact CE1-CH2 3.47Å; F73-W108 AromaticContact CE1-CZ3 3.8Å; F73-W108 HydrophobicContact CE1-CZ3 3.8Å; F73-W108 HydrophobicContact CZ-CH2 4.03Å; F73-W108 HydrophobicContact CZ-CZ3 4.16Å; W83-W108 HydrophobicContact CB-CD2 4.22Å; W83-W108 HydrophobicContact CB-CE3 3.26Å; W83-W108 HydrophobicContact CB-CZ3 3.55Å; W83-W108 HydrophobicContact CD2-CB 3.67Å; W83-W108 HydrophobicContact CD2-CE3 4.28Å; W83-W108 HydrophobicContact CD2-CG 4.39Å; W83-W108 HydrophobicContact CE3-CB 4.05Å; W83-W108 HydrophobicContact CG-CB 4.04Å; W83-W108 HydrophobicContact CG-CD2 4.3Å; W83-W108 AromaticContact CG-CE3 3.61Å; W83-W108 HydrophobicContact CG-CE3 3.61Å; W83-W108 HydrophobicContact CG-CZ3 4.37Å; W83-W108 HydrophobicContact CH2-CB 4.47Å; W83-W108 HydrophobicContact CZ2-CB 4.13Å; W83-W108 WeakPolarHBondContact CZ2-O 3.47Å; W83-W108 HydrophobicContact CZ3-CB 4.43Å; I87-W108 HydrophobicContact CD1-CD2 4.12Å; I87-W108 HydrophobicContact CD1-CE3 4.45Å; I87-W108 HydrophobicContact CD1-CH2 4.03Å; I87-W108 HydrophobicContact CD1-CZ2 3.72Å; I87-W108 HydrophobicContact CD1-CZ3 4.39Å; W100-W108 HydrophobicContact CE3-CH2 4.24Å; W100-W108 HydrophobicContact CE3-CZ2 4.22Å; W100-W108 HydrophobicContact CZ3-CH2 4.12Å; W100-W108 HydrophobicContact CZ3-CZ2 4.21Å; C103-W108 HydrophobicContact CB-CZ2 3.84Å; P105-W108 HydrophobicContact CB-CD2 4.17Å; P105-W108 HydrophobicContact CB-CE3 3.73Å; P105-W108 HydrophobicContact CB-CH2 3.86Å; P105-W108 HydrophobicContact CB-CZ2 4.22Å; P105-W108 HydrophobicContact CB-CZ3 3.59Å; P105-W108 HydrophobicContact CG-CE3 4.47Å; P105-W108 HydrophobicContact CG-CH2 3.74Å; P105-W108 HydrophobicContact CG-CZ2 3.93Å; P105-W108 HydrophobicContact CG-CZ3 4.01Å; W108-V110 VanDerWaalsContact C-N 3.25Å; W108-V110 PolarHBondContact O-N 3.32Å; W108-E114 VanDerWaalsContact CD1-C 3.43Å; W108-E114 VanDerWaalsContact CD1-O 3.32Å; W108-E114 PolarHBondContact NE1-O 2.9Å; W108-V115 HydrophobicContact CB-CG2 3.86Å; W108-V115 HydrophobicContact CG-CG2 3.92Å
109P95.5Very high95.7Very high6 Ų624.9 Ų24.94%0.03914%0.14CC..THydrogen-bonded Turntrans-64.3-22.7177-25.836.4000116.1L54 A58 R107L54-P109 WeakPolarHBondContact O-CB 3.22Å; A58-P109 WeakPolarHBondContact O-CG 3.45Å; R107-P109 VanDerWaalsContact C-N 3.26Å; R107-P109 VanDerWaalsContact O-N 3.1Å
110V95.4Very high95.8Very high99 Ų9923.6 Ų23.660%0.613%0.134SC*.THydrogen-bonded Turntrans-127.4-10.3-169.7-640000113.6P56 R107 W108P56-V110 HydrophobicContact CB-CG1 3.88Å; P56-V110 HydrophobicContact CG-CG1 4.35Å; R107-V110 WeakPolarHBondContact O-CG2 3.31Å; R107-V110 PolarHBondContact O-N 3.12Å; W108-V110 VanDerWaalsContact C-N 3.25Å; W108-V110 PolarHBondContact O-N 3.32Å
111D96.3Very high95.7Very high28 Ų2824.8 Ų24.815%0.1514%0.144CC..  trans-130.7103.6-174.7-167.7-28.1000110.3R107 W113 E114R107-D111 HydrophobicContact CB-CB 4.08Å; R107-D111 IonicContact CZ-OD2 3.88Å; R107-D111 IonicContact NE-OD2 2.85Å; R107-D111 PolarHBondContact NE-OD2 2.86Å; R107-D111 IonicContact NH1-OD2 3.4Å; R107-D111 IonicContact NH2-OD2 2.61Å; R107-D111 PolarHBondContact NH2-OD2 3.2Å; R107-D111 WeakPolarHBondContact O-CB 3.38Å; R107-D111 PolarHBondContact O-N 3.22Å; D111-W113 PolarHBondContact O-N 2.84Å; D111-W113 VanDerWaalsContact OD1-CB 3.31Å; D111-W113 WeakPolarHBondContact OD1-CB 3.47Å; D111-W113 PolarHBondContact OD1-N 2.88Å; D111-E114 HydrophobicContact CB-CB 4.16Å; D111-E114 HydrophobicContact CB-CG 3.86Å; D111-E114 PolarHBondContact O-N 3.39Å; D111-E114 PolarHBondContact OD1-N 3.42Å
112A97.7Very high95.6Very high8 Ų826 Ų267%0.06614%0.139CC..Hα-helixtrans-60-33.417800000112.4V40 L41 H44 V115 A116V40-A112 HydrophobicContact CG1-CB 3.79Å; V40-A112 WeakPolarHBondContact CG1-O 3.38Å; L41-A112 HydrophobicContact CD2-CB 3.93Å; H44-A112 HydrophobicContact CB-CB 3.39Å; A112-V115 WeakPolarHBondContact O-CB 3.2Å; A112-V115 PolarHBondContact O-N 3.5Å; A112-A116 PolarHBondContact O-N 3.46Å; A112-A116 VanDerWaalsContact O-N 3.09Å
113W97.9Very high95.4Very high13 Ų1327.3 Ų27.35%0.04915%0.154CC..Hα-helixtrans-70.2-36.5-177.8-169.5-117.3000112V36 V40 D111 V115 A116 K117 M120 K127 G129 P130 L138V36-W113 HydrophobicContact CG1-CH2 4.46Å; V36-W113 HydrophobicContact CG1-CZ3 4.01Å; V40-W113 HydrophobicContact CG1-CE3 4.26Å; V40-W113 HydrophobicContact CG2-CZ3 4.36Å; D111-W113 PolarHBondContact O-N 2.84Å; D111-W113 VanDerWaalsContact OD1-CB 3.31Å; D111-W113 WeakPolarHBondContact OD1-CB 3.47Å; D111-W113 PolarHBondContact OD1-N 2.88Å; W113-V115 PolarHBondContact O-N 3.29Å; W113-A116 HydrophobicContact CE3-CB 3.93Å; W113-A116 HydrophobicContact CZ3-CB 4.24Å; W113-A116 WeakPolarHBondContact O-CB 3.49Å; W113-A116 PolarHBondContact O-N 3.39Å; W113-A116 VanDerWaalsContact O-N 3.08Å; W113-K117 VanDerWaalsContact CD1-CE 3.44Å; W113-K117 WeakPolarHBondContact O-CG 3.46Å; W113-K117 PolarHBondContact O-N 3.01Å; W113-M120 HydrophobicContact CH2-CE 3.34Å; W113-M120 HydrophobicContact CH2-SD 4.23Å; W113-M120 HydrophobicContact CZ2-CE 3.85Å; W113-M120 HydrophobicContact CZ2-SD 4.2Å; W113-M120 HydrophobicContact CZ3-CE 3.75Å; W113-K127 PolarHBondContact NE1-O 3.45Å; W113-G129 VanDerWaalsContact CE2-C 3.4Å; W113-G129 WeakPolarHBondContact CZ2-O 3.49Å; W113-P130 HydrophobicContact CH2-CB 3.68Å; W113-P130 HydrophobicContact CH2-CG 4.39Å; W113-P130 HydrophobicContact CZ2-CB 4.45Å; W113-P130 HydrophobicContact CZ3-CB 3.91Å; W113-P130 HydrophobicContact CZ3-CG 4.24Å; W113-L138 HydrophobicContact CH2-CD2 4.2Å
114E97.1Very high95.3Very high2 Ų227.5 Ų27.51%0.00916%0.155CC..Hα-helixtrans-63.4-26175.5-67.5-72.8165.900112.6R104 R107 W108 D111 K117R104-E114 WeakPolarHBondContact CB-OE2 3.21Å; R104-E114 PolarHBondContact N-OE2 3.31Å; R107-E114 HydrophobicContact CB-CB 4.13Å; R107-E114 HydrophobicContact CB-CG 3.73Å; R107-E114 HydrophobicContact CG-CG 4.49Å; R107-E114 IonicContact CZ-OE1 2.92Å; R107-E114 IonicContact NH1-OE1 3.36Å; R107-E114 PolarHBondContact NH1-OE1 3.46Å; W108-E114 VanDerWaalsContact CD1-C 3.43Å; W108-E114 VanDerWaalsContact CD1-O 3.32Å; W108-E114 PolarHBondContact NE1-O 2.9Å; D111-E114 HydrophobicContact CB-CB 4.16Å; D111-E114 HydrophobicContact CB-CG 3.86Å; D111-E114 PolarHBondContact O-N 3.39Å; D111-E114 PolarHBondContact OD1-N 3.42Å; E114-K117 IonicContact OE1-NZ 2.78Å; E114-K117 PolarHBondContact OE1-NZ 2.93Å; E114-K117 IonicContact OE2-NZ 3.63Å
115V97.4Very high95.3Very high1 Ų123.7 Ų23.71%0.00615%0.148CC..Hα-helixtrans-76.1-45.2170.9-178.60000110.3F43 L47 W83 I87 W108 A112 W113 K117 A118F43-V115 HydrophobicContact CE1-CG1 4.18Å; L47-V115 HydrophobicContact CD1-CG1 4.19Å; W83-V115 HydrophobicContact CE3-CG2 4.33Å; W83-V115 HydrophobicContact CH2-CG2 4.26Å; W83-V115 HydrophobicContact CZ3-CG1 4.4Å; W83-V115 HydrophobicContact CZ3-CG2 3.82Å; I87-V115 HydrophobicContact CD1-CG1 4.24Å; I87-V115 HydrophobicContact CG1-CG1 3.92Å; W108-V115 HydrophobicContact CB-CG2 3.86Å; W108-V115 HydrophobicContact CG-CG2 3.92Å; A112-V115 WeakPolarHBondContact O-CB 3.2Å; A112-V115 PolarHBondContact O-N 3.5Å; W113-V115 PolarHBondContact O-N 3.29Å; V115-K117 VanDerWaalsContact C-N 3.28Å; V115-K117 PolarHBondContact O-N 3.15Å; V115-A118 WeakPolarHBondContact O-CB 3.33Å; V115-A118 PolarHBondContact O-N 2.92Å
116A98Very high95.2Very high1 Ų129.1 Ų29.11%0.00818%0.176CC..Hα-helixtrans-59.7-35.1-178.800000113.5V40 A112 W113 A118 F119 M120 L141V40-A116 HydrophobicContact CB-CB 4.48Å; V40-A116 HydrophobicContact CG1-CB 3.76Å; V40-A116 HydrophobicContact CG2-CB 3.81Å; A112-A116 PolarHBondContact O-N 3.46Å; A112-A116 VanDerWaalsContact O-N 3.09Å; W113-A116 HydrophobicContact CE3-CB 3.93Å; W113-A116 HydrophobicContact CZ3-CB 4.24Å; W113-A116 WeakPolarHBondContact O-CB 3.49Å; W113-A116 PolarHBondContact O-N 3.39Å; W113-A116 VanDerWaalsContact O-N 3.08Å; A116-A118 PolarHBondContact O-N 3.11Å; A116-F119 PolarHBondContact O-N 3.41Å; A116-M120 HydrophobicContact CB-CE 4.04Å; A116-L141 HydrophobicContact CB-CD1 4.22Å; A116-L141 HydrophobicContact CB-CD2 4.33Å
117K97.6Very high95.4Very high1 Ų130 Ų300%0.00416%0.164CC..G310 helixtrans-56-22.5177.6-74.3178.6-169.9179.20114.7N102 W113 E114 V115 F119 M120 L124 A125 K127N102-K117 HydrophobicContact CB-CB 3.94Å; N102-K117 HydrophobicContact CB-CD 4.4Å; N102-K117 PolarHBondContact ND2-O 3.29Å; N102-K117 WeakPolarHBondContact O-CD 3.39Å; W113-K117 VanDerWaalsContact CD1-CE 3.44Å; W113-K117 WeakPolarHBondContact O-CG 3.46Å; W113-K117 PolarHBondContact O-N 3.01Å; E114-K117 IonicContact OE1-NZ 2.78Å; E114-K117 PolarHBondContact OE1-NZ 2.93Å; E114-K117 IonicContact OE2-NZ 3.63Å; V115-K117 VanDerWaalsContact C-N 3.28Å; V115-K117 PolarHBondContact O-N 3.15Å; K117-F119 PolarHBondContact O-N 3.4Å; K117-M120 PolarHBondContact O-N 3.11Å; K117-L124 WeakPolarHBondContact CD-O 3.42Å; K117-L124 VanDerWaalsContact CE-O 3.27Å; K117-L124 WeakPolarHBondContact CE-O 3.17Å; K117-L124 HydrophobicContact CG-CB 4.46Å; K117-L124 PolarHBondContact NZ-O 3.36Å; K117-A125 PolarHBondContact NZ-O 3.28Å; K117-K127 WeakPolarHBondContact CE-O 3.36Å; K117-K127 PolarHBondContact NZ-O 3.49Å
118A96.4Very high95.4Very high1 Ų134.8 Ų34.81%0.00818%0.182CC..G310 helixtrans-70.5-19.1176.900000113I87 V98 W100 V115 A116I87-A118 HydrophobicContact CD1-CB 4.49Å; I87-A118 HydrophobicContact CG2-CB 3.54Å; V98-A118 HydrophobicContact CG1-CB 4.02Å; V98-A118 WeakPolarHBondContact CG1-O 3.39Å; W100-A118 HydrophobicContact CZ3-CB 4.25Å; V115-A118 WeakPolarHBondContact O-CB 3.33Å; V115-A118 PolarHBondContact O-N 2.92Å; A116-A118 PolarHBondContact O-N 3.11Å
119F96.7Very high95.4Very high3 Ų335 Ų351%0.01319%0.185CC..G310 helixtrans-98.110.2179.9-58.6-86000112.5F43 I87 H90 H91 A116 K117 S140 L141 C145F43-F119 HydrophobicContact CE1-CE2 4.14Å; F43-F119 HydrophobicContact CE1-CZ 4.42Å; F43-F119 HydrophobicContact CZ-CZ 4.42Å; I87-F119 HydrophobicContact CG2-CE2 4.12Å; I87-F119 HydrophobicContact CG2-CZ 3.94Å; I87-F119 WeakPolarHBondContact O-CZ 3.22Å; H90-F119 HydrophobicContact CB-CE1 4.43Å; H90-F119 HydrophobicContact CB-CZ 4.16Å; H91-F119 HydrophobicContact CB-CD1 4.48Å; H91-F119 HydrophobicContact CB-CE1 4Å; H91-F119 AromaticContact CD2-CD1 3.46Å; H91-F119 VanDerWaalsContact CD2-CD1 3.46Å; H91-F119 WeakPolarHBondContact CD2-CD1 3.21Å; H91-F119 AromaticContact CD2-CE1 3.79Å; A116-F119 PolarHBondContact O-N 3.41Å; K117-F119 PolarHBondContact O-N 3.4Å; F119-S140 CarbonylContact O-C 3.35Å; F119-L141 HydrophobicContact CB-CD1 3.56Å; F119-L141 HydrophobicContact CD2-CD1 4.12Å; F119-L141 HydrophobicContact CG-CD1 4.08Å; F119-L141 WeakPolarHBondContact O-CA 3.38Å; F119-L141 PolarHBondContact O-N 3.43Å; F119-C145 HydrophobicContact CB-CB 4.35Å; F119-C145 HydrophobicContact CD1-CB 3.64Å; F119-C145 HydrophobicContact CD2-CB 4.36Å; F119-C145 HydrophobicContact CE1-CB 3.95Å; F119-C145 HydrophobicContact CG-CB 3.86Å; F119-C145 HydrophobicContact CZ-CB 4.44Å
120M95.6Very high95.4Very high6 Ų635.4 Ų35.43%0.0319%0.188CC..SBendtrans-118.8161.3-171.3-66.8-177-165.900111.8H99 W113 A116 K117 L124 A137 L141H99-M120 PolarHBondContact ND1-O 3.17Å; W113-M120 HydrophobicContact CH2-CE 3.34Å; W113-M120 HydrophobicContact CH2-SD 4.23Å; W113-M120 HydrophobicContact CZ2-CE 3.85Å; W113-M120 HydrophobicContact CZ2-SD 4.2Å; W113-M120 HydrophobicContact CZ3-CE 3.75Å; A116-M120 HydrophobicContact CB-CE 4.04Å; K117-M120 PolarHBondContact O-N 3.11Å; M120-L124 HydrophobicContact CB-CD1 3.46Å; M120-L124 VanDerWaalsContact CB-CD1 3.46Å; M120-L124 HydrophobicContact CG-CD1 3.96Å; M120-L124 HydrophobicContact SD-CD1 3.24Å; M120-L124 WeakPolarHBondContact SD-CD1 3.32Å; M120-A137 HydrophobicContact SD-CB 4.41Å; M120-L141 HydrophobicContact CE-CB 3.61Å; M120-L141 HydrophobicContact CE-CD1 4.19Å; M120-L141 HydrophobicContact CE-CD2 3.37Å; M120-L141 HydrophobicContact CE-CG 3.89Å; M120-L141 HydrophobicContact CG-CB 3.88Å
121P92.9Very high95.4Very high37 Ų3736 Ų3624%0.2418%0.184CC..  trans-63169.8170.529.1-38.1000111.7N102 A137N102-P121 PolarHBondContact ND2-O 3.05Å; P121-A137 HydrophobicContact CG-CB 4.48Å
122R91.9Very high95.3Very high56 Ų5638.3 Ų38.321%0.21119%0.194CC..SBendtrans-60.2170.3175.666.8171.2174.7-88.811.1113.5L256 Q257 E260R122-L256 VanDerWaalsContact CZ-O 3.22Å; R122-L256 PolarHBondContact NE-O 3.32Å; R122-L256 VanDerWaalsContact NH2-C 3.34Å; R122-L256 PolarHBondContact NH2-O 3.09Å; R122-Q257 VanDerWaalsContact NH2-CA 3.35Å; R122-E260 IonicContact CZ-OE2 2.61Å; R122-E260 IonicContact NH1-OE1 3.95Å; R122-E260 PolarHBondContact NH1-OE1 3.3Å; R122-E260 IonicContact NH1-OE2 3.61Å; R122-E260 PolarHBondContact NH1-OE2 3.02Å; R122-E260 IonicContact NH2-OE2 3.08Å; R122-E260 PolarHBondContact NH2-OE2 3.04Å
123G91.1Very high95.1Very high34 Ų3438.1 Ų38.135%0.35119%0.192SC..SBendtrans89.812.3173.200000113.7N102N102-G123 PolarHBondContact OD1-N 3.44Å
124L94.8Very high94.8Very high11 Ų1139.5 Ų39.56%0.05820%0.2CC..  trans-1098.4-174.3-50.8-164.5000114.1N102 K117 M120 D126 K127 A137N102-L124 HydrophobicContact CB-CB 4.3Å; N102-L124 PolarHBondContact OD1-N 2.95Å; N102-L124 VanDerWaalsContact OD1-N 3.09Å; K117-L124 WeakPolarHBondContact CD-O 3.42Å; K117-L124 VanDerWaalsContact CE-O 3.27Å; K117-L124 WeakPolarHBondContact CE-O 3.17Å; K117-L124 HydrophobicContact CG-CB 4.46Å; K117-L124 PolarHBondContact NZ-O 3.36Å; M120-L124 HydrophobicContact CB-CD1 3.46Å; M120-L124 VanDerWaalsContact CB-CD1 3.46Å; M120-L124 HydrophobicContact CG-CD1 3.96Å; M120-L124 HydrophobicContact SD-CD1 3.24Å; M120-L124 WeakPolarHBondContact SD-CD1 3.32Å; L124-D126 VanDerWaalsContact C-N 3.26Å; L124-D126 PolarHBondContact O-N 2.97Å; L124-K127 HydrophobicContact CB-CB 4.39Å; L124-K127 HydrophobicContact CB-CG 4.21Å; L124-K127 HydrophobicContact CD2-CG 4.11Å; L124-K127 PolarHBondContact O-N 3.45Å; L124-K127 VanDerWaalsContact O-N 3.12Å; L124-A137 HydrophobicContact CD1-CB 3.86Å; L124-A137 HydrophobicContact CD2-CB 4.33Å
125A92.9Very high94.6Very high35 Ų3539.6 Ų39.629%0.28920%0.201SC..THydrogen-bonded Turntrans-54.4-41.5-177.100000112.9N102 K117N102-A125 WeakPolarHBondContact O-CA 3.45Å; K117-A125 PolarHBondContact NZ-O 3.28Å
126D93.2Very high94.5Very high123 Ų12340 Ų4066%0.65820%0.204SC*.THydrogen-bonded Turntrans-92.7-4.7-177.2-62.4-44.9000114.1R104 L124R104-D126 IonicContact NH2-OD1 3.51Å; R104-D126 PolarHBondContact NH2-OD1 3.23Å; L124-D126 VanDerWaalsContact C-N 3.26Å; L124-D126 PolarHBondContact O-N 2.97Å
127K94.9Very high94.3Very high72 Ų7240 Ų4031%0.31320%0.204SC..  trans-76132-175.7-58.5-65.8-176.1164.90111.4W113 K117 L124 E132W113-K127 PolarHBondContact NE1-O 3.45Å; K117-K127 WeakPolarHBondContact CE-O 3.36Å; K117-K127 PolarHBondContact NZ-O 3.49Å; L124-K127 HydrophobicContact CB-CB 4.39Å; L124-K127 HydrophobicContact CB-CG 4.21Å; L124-K127 HydrophobicContact CD2-CG 4.11Å; L124-K127 PolarHBondContact O-N 3.45Å; L124-K127 VanDerWaalsContact O-N 3.12Å; K127-E132 VanDerWaalsContact CA-OE2 3.22Å; K127-E132 WeakPolarHBondContact CA-OE2 3.29Å; K127-E132 HydrophobicContact CB-CB 4.5Å; K127-E132 HydrophobicContact CD-CB 3.65Å; K127-E132 WeakPolarHBondContact CD-O 3.09Å; K127-E132 WeakPolarHBondContact CE-O 3.46Å; K127-E132 PolarHBondContact NZ-O 3.22Å
128R94.4Very high94.3Very high193 Ų19340 Ų4073%0.72820%0.203SC*.  trans-97.3-20.7-173.5-64.1-172.9-180-131.32.9115E132R128-E132 PolarHBondContact N-OE2 3.42Å
129G95.4Very high94.4Very high5 Ų539.9 Ų39.95%0.05220%0.203CC..SBendtrans-166.2178.5-179.400000112.1W113 E131 E132W113-G129 VanDerWaalsContact CE2-C 3.4Å; W113-G129 WeakPolarHBondContact CZ2-O 3.49Å; G129-E131 VanDerWaalsContact C-OE2 3.3Å; G129-E131 WeakPolarHBondContact CA-OE1 3.28Å; G129-E131 WeakPolarHBondContact CA-OE2 3.33Å; G129-E131 PolarHBondContact N-OE1 3.07Å; G129-E131 PolarHBondContact O-N 3.35Å; G129-E132 PolarHBondContact O-N 2.69Å
130P96.1Very high94.4Very high15 Ų1540.7 Ų40.710%0.09721%0.209CC..G310 helixtrans-61.1-27.9179.925.6-34.8000113.2Q33 V36 W113 E132 C133 L138Q33-P130 HydrophobicContact CB-CB 4.42Å; Q33-P130 HydrophobicContact CG-CB 4.38Å; Q33-P130 WeakPolarHBondContact CG-O 3.38Å; Q33-P130 PolarHBondContact NE2-O 3.39Å; V36-P130 HydrophobicContact CG1-CB 4.24Å; W113-P130 HydrophobicContact CH2-CB 3.68Å; W113-P130 HydrophobicContact CH2-CG 4.39Å; W113-P130 HydrophobicContact CZ2-CB 4.45Å; W113-P130 HydrophobicContact CZ3-CB 3.91Å; W113-P130 HydrophobicContact CZ3-CG 4.24Å; P130-E132 PolarHBondContact O-N 2.82Å; P130-C133 WeakPolarHBondContact O-CB 3.39Å; P130-C133 PolarHBondContact O-N 3.47Å; P130-C133 VanDerWaalsContact O-N 3.14Å; P130-L138 HydrophobicContact CB-CD2 3.78Å
131E94.8Very high94.4Very high110 Ų11040.5 Ų40.551%0.51421%0.208SC..G310 helixtrans-60.9-25.817966.7-71.9168.100113.9Q33 G129Q33-E131 PolarHBondContact NE2-O 3.32Å; G129-E131 VanDerWaalsContact C-OE2 3.3Å; G129-E131 WeakPolarHBondContact CA-OE1 3.28Å; G129-E131 WeakPolarHBondContact CA-OE2 3.33Å; G129-E131 PolarHBondContact N-OE1 3.07Å; G129-E131 PolarHBondContact O-N 3.35Å
132E93.7Very high94.6Very high77 Ų7738.8 Ų38.836%0.3620%0.197SC..G310 helixtrans-95.70.4-179.7-56.2-178.8176.600113.3K127 R128 G129 P130K127-E132 VanDerWaalsContact CA-OE2 3.22Å; K127-E132 WeakPolarHBondContact CA-OE2 3.29Å; K127-E132 HydrophobicContact CB-CB 4.5Å; K127-E132 HydrophobicContact CD-CB 3.65Å; K127-E132 WeakPolarHBondContact CD-O 3.09Å; K127-E132 WeakPolarHBondContact CE-O 3.46Å; K127-E132 PolarHBondContact NZ-O 3.22Å; R128-E132 PolarHBondContact N-OE2 3.42Å; G129-E132 PolarHBondContact O-N 2.69Å; P130-E132 PolarHBondContact O-N 2.82Å
133C93.6Very high94.9Very high4 Ų437.9 Ų37.93%0.02720%0.196CC..SBendtrans-98.9147-176.9-80.40000112.3R29 P130 A137 L138R29-C133 VanDerWaalsContact CD-O 3.24Å; R29-C133 WeakPolarHBondContact CD-O 3.44Å; R29-C133 WeakPolarHBondContact CG-O 3.28Å; P130-C133 WeakPolarHBondContact O-CB 3.39Å; P130-C133 PolarHBondContact O-N 3.47Å; P130-C133 VanDerWaalsContact O-N 3.14Å; C133-A137 HydrophobicContact CB-CB 3.89Å; C133-L138 HydrophobicContact CB-CD2 4.04Å; C133-L138 HydrophobicContact CB-CG 4.26Å
134D92.3Very high95.1Very high43 Ų4337.4 Ų37.423%0.2319%0.187CC..  trans-75.8174.9171.865.513.4000111.8V136 A137 L138D134-V136 VanDerWaalsContact C-N 3.29Å; D134-V136 VanDerWaalsContact CG-CG1 3.48Å; D134-V136 PolarHBondContact O-N 3.27Å; D134-V136 WeakPolarHBondContact OD1-CG1 3.42Å; D134-V136 PolarHBondContact OD1-N 3.32Å; D134-V136 WeakPolarHBondContact OD2-CG1 3.47Å; D134-A137 PolarHBondContact O-N 3.43Å; D134-A137 VanDerWaalsContact OD1-CB 3.29Å; D134-A137 WeakPolarHBondContact OD1-CB 3.34Å; D134-A137 PolarHBondContact OD1-N 2.9Å; D134-L138 PolarHBondContact O-N 2.74Å
135A93.8Very high95.2Very high3 Ų337 Ų373%0.02519%0.185CC..Hα-helixtrans-59.8-38.6179.600000112.4R29 L138 L139R29-A135 HydrophobicContact CB-CB 4.19Å; A135-L138 PolarHBondContact O-N 2.86Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CD1 3.35Å; A135-L139 WeakPolarHBondContact O-CG 3.3Å; A135-L139 PolarHBondContact O-N 3.4Å
136V93.7Very high95.3Very high11 Ų1138.4 Ų38.47%0.06719%0.188CC..Hα-helixtrans-69.9-35.7-176.366.20000112.9D134 L138 L139 S140 I159 R162D134-V136 VanDerWaalsContact C-N 3.29Å; D134-V136 VanDerWaalsContact CG-CG1 3.48Å; D134-V136 PolarHBondContact O-N 3.27Å; D134-V136 WeakPolarHBondContact OD1-CG1 3.42Å; D134-V136 PolarHBondContact OD1-N 3.32Å; D134-V136 WeakPolarHBondContact OD2-CG1 3.47Å; V136-L138 VanDerWaalsContact C-N 3.34Å; V136-L139 PolarHBondContact O-N 3.47Å; V136-S140 WeakPolarHBondContact O-CB 3.47Å; V136-S140 PolarHBondContact O-N 2.89Å; V136-S140 PolarHBondContact O-OG 2.74Å; V136-I159 HydrophobicContact CG2-CG2 4.28Å; V136-R162 VanDerWaalsContact CG1-NH2 3.28Å
137A95.5Very high95.5Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-61.8-46.7177.300000110.5M120 P121 L124 C133 D134 S140 L141M120-A137 HydrophobicContact SD-CB 4.41Å; P121-A137 HydrophobicContact CG-CB 4.48Å; L124-A137 HydrophobicContact CD1-CB 3.86Å; L124-A137 HydrophobicContact CD2-CB 4.33Å; C133-A137 HydrophobicContact CB-CB 3.89Å; D134-A137 PolarHBondContact O-N 3.43Å; D134-A137 VanDerWaalsContact OD1-CB 3.29Å; D134-A137 WeakPolarHBondContact OD1-CB 3.34Å; D134-A137 PolarHBondContact OD1-N 2.9Å; A137-S140 PolarHBondContact O-N 3.35Å; A137-L141 PolarHBondContact O-N 2.97Å
138L97.5Very high95.6Very high0 Ų031.9 Ų31.90%015%0.154CC..Hα-helixtrans-65.8-45.3178.3-58.2179.7000111.9R29 L32 Q33 V36 W113 P130 C133 D134 A135 V136 S140 L141 I142R29-L138 HydrophobicContact CG-CD1 4.27Å; L32-L138 HydrophobicContact CB-CD1 4.04Å; Q33-L138 HydrophobicContact CG-CD1 3.79Å; V36-L138 HydrophobicContact CB-CD2 4.4Å; V36-L138 HydrophobicContact CG1-CD2 4.05Å; V36-L138 HydrophobicContact CG2-CD2 4.43Å; W113-L138 HydrophobicContact CH2-CD2 4.2Å; P130-L138 HydrophobicContact CB-CD2 3.78Å; C133-L138 HydrophobicContact CB-CD2 4.04Å; C133-L138 HydrophobicContact CB-CG 4.26Å; D134-L138 PolarHBondContact O-N 2.74Å; A135-L138 PolarHBondContact O-N 2.86Å; V136-L138 VanDerWaalsContact C-N 3.34Å; L138-S140 VanDerWaalsContact C-N 3.31Å; L138-S140 PolarHBondContact O-N 3.44Å; L138-L141 PolarHBondContact O-N 2.91Å; L138-I142 WeakPolarHBondContact O-CG1 3.24Å; L138-I142 PolarHBondContact O-N 2.96Å; L138-I142 VanDerWaalsContact O-N 3.11Å
139L97.3Very high95.5Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-63.5-37.4177.3-69.5166.6000111.8L28 L32 A135 V136 I142 N143 V155 V158 I159 F188L28-L139 HydrophobicContact CD2-CD1 4.47Å; L32-L139 HydrophobicContact CD1-CD2 3.91Å; L32-L139 HydrophobicContact CD1-CG 4.3Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CD1 3.35Å; A135-L139 WeakPolarHBondContact O-CG 3.3Å; A135-L139 PolarHBondContact O-N 3.4Å; V136-L139 PolarHBondContact O-N 3.47Å; L139-I142 PolarHBondContact O-N 3.35Å; L139-N143 WeakPolarHBondContact O-CB 3.49Å; L139-N143 PolarHBondContact O-N 3.39Å; L139-V155 HydrophobicContact CB-CG1 4.17Å; L139-V155 HydrophobicContact CD2-CG1 4.08Å; L139-V155 VanDerWaalsContact O-CG1 3.31Å; L139-V155 WeakPolarHBondContact O-CG1 3.36Å; L139-V158 HydrophobicContact CD1-CB 4.42Å; L139-V158 HydrophobicContact CD1-CG1 3.68Å; L139-V158 HydrophobicContact CD2-CG1 4.34Å; L139-I159 HydrophobicContact CB-CD1 3.94Å; L139-I159 HydrophobicContact CB-CG1 3.62Å; L139-I159 HydrophobicContact CD1-CG1 4.11Å; L139-I159 HydrophobicContact CG-CG1 4.46Å; L139-F188 HydrophobicContact CD2-CE1 4.02Å; L139-F188 HydrophobicContact CD2-CE2 3.92Å; L139-F188 HydrophobicContact CD2-CZ 3.48Å; L139-F188 VanDerWaalsContact CD2-CZ 3.48Å
140S96.1Very high95.4Very high19 Ų1929.9 Ų29.913%0.13316%0.163CC..Hα-helixtrans-67.4-39.9178.3-60.90000112F119 V136 A137 L138 N143 S144F119-S140 CarbonylContact O-C 3.35Å; V136-S140 WeakPolarHBondContact O-CB 3.47Å; V136-S140 PolarHBondContact O-N 2.89Å; V136-S140 PolarHBondContact O-OG 2.74Å; A137-S140 PolarHBondContact O-N 3.35Å; L138-S140 VanDerWaalsContact C-N 3.31Å; L138-S140 PolarHBondContact O-N 3.44Å; S140-N143 PolarHBondContact O-N 2.98Å; S140-S144 VanDerWaalsContact O-CB 3.22Å; S140-S144 WeakPolarHBondContact O-CB 3.46Å; S140-S144 PolarHBondContact O-N 3.16Å; S140-S144 PolarHBondContact O-OG 2.98Å
141L97.5Very high95.3Very high2 Ų232.3 Ų32.31%0.0118%0.175CC..Hα-helixtrans-58-51.7172.2167.965.4000110.9V36 V40 A116 F119 M120 A137 L138 N143 S144 C145 F148V36-L141 HydrophobicContact CG1-CD2 3.44Å; V36-L141 VanDerWaalsContact CG1-CD2 3.44Å; V40-L141 HydrophobicContact CG2-CD2 3.64Å; A116-L141 HydrophobicContact CB-CD1 4.22Å; A116-L141 HydrophobicContact CB-CD2 4.33Å; F119-L141 HydrophobicContact CB-CD1 3.56Å; F119-L141 HydrophobicContact CD2-CD1 4.12Å; F119-L141 HydrophobicContact CG-CD1 4.08Å; F119-L141 WeakPolarHBondContact O-CA 3.38Å; F119-L141 PolarHBondContact O-N 3.43Å; M120-L141 HydrophobicContact CE-CB 3.61Å; M120-L141 HydrophobicContact CE-CD1 4.19Å; M120-L141 HydrophobicContact CE-CD2 3.37Å; M120-L141 HydrophobicContact CE-CG 3.89Å; M120-L141 HydrophobicContact CG-CB 3.88Å; A137-L141 PolarHBondContact O-N 2.97Å; L138-L141 PolarHBondContact O-N 2.91Å; L141-N143 PolarHBondContact O-N 3.21Å; L141-S144 PolarHBondContact O-N 3.34Å; L141-C145 HydrophobicContact CD1-CB 4.13Å; L141-C145 WeakPolarHBondContact O-CB 3.48Å; L141-C145 PolarHBondContact O-N 3.31Å; L141-F148 HydrophobicContact CD1-CE2 3.99Å; L141-F148 HydrophobicContact CD2-CE2 4.06Å; L141-F148 HydrophobicContact CD2-CZ 3.97Å; L141-F148 HydrophobicContact CG-CE2 3.72Å; L141-F148 HydrophobicContact CG-CZ 4.1Å
142I97.1Very high95.3Very high1 Ų131.1 Ų31.11%0.00517%0.165CC..Hα-helixtrans-58.2-39.3178.9-67.2167.7000110.7L32 V36 L138 L139 F148 V150 V155L32-I142 HydrophobicContact CD1-CD1 4.34Å; L32-I142 HydrophobicContact CD2-CD1 4.05Å; V36-I142 HydrophobicContact CG2-CD1 4.04Å; V36-I142 HydrophobicContact CG2-CG1 4.22Å; L138-I142 WeakPolarHBondContact O-CG1 3.24Å; L138-I142 PolarHBondContact O-N 2.96Å; L138-I142 VanDerWaalsContact O-N 3.11Å; L139-I142 PolarHBondContact O-N 3.35Å; I142-F148 HydrophobicContact CB-CG 4.36Å; I142-F148 HydrophobicContact CG1-CD1 3.91Å; I142-F148 HydrophobicContact CG1-CE1 4.07Å; I142-F148 HydrophobicContact CG1-CG 4.21Å; I142-F148 HydrophobicContact CG2-CB 4.09Å; I142-F148 HydrophobicContact CG2-CG 4.37Å; I142-V150 HydrophobicContact CG2-CB 4.22Å; I142-V150 HydrophobicContact CG2-CG2 4.05Å; I142-V155 HydrophobicContact CG2-CG1 4.42Å; I142-V155 HydrophobicContact CG2-CG2 4.1Å
143N96.3Very high95.4Very high38 Ų3835.2 Ų35.220%0.20318%0.182CC..Hα-helixtrans-72.2-36.2-179.2-169.358.2000113.2L139 S140 L141 R152 V155 I159L139-N143 WeakPolarHBondContact O-CB 3.49Å; L139-N143 PolarHBondContact O-N 3.39Å; S140-N143 PolarHBondContact O-N 2.98Å; L141-N143 PolarHBondContact O-N 3.21Å; N143-R152 PolarHBondContact O-NE 3.32Å; N143-V155 HydrophobicContact CB-CB 4.36Å; N143-V155 HydrophobicContact CB-CG1 3.89Å; N143-I159 HydrophobicContact CB-CD1 4.4Å
144S96Very high95.5Very high24 Ų2437.7 Ų37.717%0.16819%0.192CC..Hα-helixtrans-97.7-21.2-166.4-50.30000113.9H91 V92 S140 L141H91-S144 WeakPolarHBondContact CA-O 3.38Å; V92-S144 WeakPolarHBondContact CG2-O 3.36Å; V92-S144 PolarHBondContact N-O 2.84Å; S140-S144 VanDerWaalsContact O-CB 3.22Å; S140-S144 WeakPolarHBondContact O-CB 3.46Å; S140-S144 PolarHBondContact O-N 3.16Å; S140-S144 PolarHBondContact O-OG 2.98Å; L141-S144 PolarHBondContact O-N 3.34Å
145C96.9Very high95.8Very high1 Ų135.6 Ų35.61%0.00718%0.181CC..BIsolated β-bridgetrans-97133.2177.5-179.20000110.9H90 F119 L141 H147 F148H90-C145 WeakPolarHBondContact O-CA 3.09Å; F119-C145 HydrophobicContact CB-CB 4.35Å; F119-C145 HydrophobicContact CD1-CB 3.64Å; F119-C145 HydrophobicContact CD2-CB 4.36Å; F119-C145 HydrophobicContact CE1-CB 3.95Å; F119-C145 HydrophobicContact CG-CB 3.86Å; F119-C145 HydrophobicContact CZ-CB 4.44Å; L141-C145 HydrophobicContact CD1-CB 4.13Å; L141-C145 WeakPolarHBondContact O-CB 3.48Å; L141-C145 PolarHBondContact O-N 3.31Å; C145-H147 VanDerWaalsContact C-N 3.28Å; C145-H147 PolarHBondContact O-N 3.16Å; C145-H147 VanDerWaalsContact SG-CB 3.58Å; C145-F148 HydrophobicContact CB-CD2 3.91Å; C145-F148 HydrophobicContact CB-CE2 4.2Å
146D95.9Very high95.9Very high66 Ų6637.8 Ų37.835%0.35319%0.194SC..THydrogen-bonded Turntrans-76.8-12-179.270.8-3.7000114.4H90 V92 F148H90-D146 WeakPolarHBondContact CA-OD1 3.39Å; H90-D146 WeakPolarHBondContact CB-OD1 3.31Å; H90-D146 IonicContact CE1-OD1 3.6Å; H90-D146 IonicContact CG-OD1 3.45Å; H90-D146 IonicContact ND1-OD1 3.71Å; H90-D146 PolarHBondContact ND1-OD1 2.85Å; H90-D146 IonicContact ND1-OD2 3.53Å; H90-D146 PolarHBondContact ND1-OD2 3.11Å; H90-D146 PolarHBondContact O-N 3.38Å; V92-D146 HydrophobicContact CG2-CB 4.09Å; D146-F148 PolarHBondContact O-N 3.43Å
147H97.1Very high96Very high52 Ų5240 Ų4024%0.24120%0.204CC..THydrogen-bonded Turntrans-61-34.8172.4-175.871.6000112E39 F43 C145 V149E39-H147 PolarHBondContact O-NE2 2.96Å; E39-H147 IonicContact OE2-NE2 3.73Å; F43-H147 HydrophobicContact CB-CB 4.36Å; F43-H147 HydrophobicContact CD2-CB 3.67Å; F43-H147 AromaticContact CD2-CG 3.73Å; F43-H147 AromaticContact CD2-ND1 3.77Å; F43-H147 HydrophobicContact CE2-CB 4.19Å; F43-H147 HydrophobicContact CG-CB 4.1Å; F43-H147 AromaticContact CG-CG 3.98Å; C145-H147 VanDerWaalsContact C-N 3.28Å; C145-H147 PolarHBondContact O-N 3.16Å; C145-H147 VanDerWaalsContact SG-CB 3.58Å; H147-V149 PolarHBondContact O-N 3.44Å
148F95.8Very high96.1Very high5 Ų540 Ų402%0.02220%0.204CC..SBendtrans-80.8112.6177.7-63.3-88.2000110.2F35 V36 E39 V40 L141 I142 C145 D146 V150F35-F148 AromaticContact CE1-CD1 3.85Å; F35-F148 HydrophobicContact CE1-CD1 3.85Å; F35-F148 AromaticContact CE1-CE1 3.87Å; F35-F148 HydrophobicContact CE1-CE1 3.87Å; F35-F148 HydrophobicContact CZ-CD1 4.09Å; F35-F148 HydrophobicContact CZ-CE1 4.28Å; V36-F148 HydrophobicContact CG2-CE1 4.48Å; E39-F148 HydrophobicContact CB-CD1 4.32Å; E39-F148 HydrophobicContact CB-CE1 3.48Å; E39-F148 VanDerWaalsContact CB-CE1 3.48Å; E39-F148 HydrophobicContact CB-CZ 3.81Å; E39-F148 HydrophobicContact CG-CD1 4.39Å; E39-F148 HydrophobicContact CG-CE1 3.86Å; V40-F148 HydrophobicContact CG2-CZ 4.36Å; L141-F148 HydrophobicContact CD1-CE2 3.99Å; L141-F148 HydrophobicContact CD2-CE2 4.06Å; L141-F148 HydrophobicContact CD2-CZ 3.97Å; L141-F148 HydrophobicContact CG-CE2 3.72Å; L141-F148 HydrophobicContact CG-CZ 4.1Å; I142-F148 HydrophobicContact CB-CG 4.36Å; I142-F148 HydrophobicContact CG1-CD1 3.91Å; I142-F148 HydrophobicContact CG1-CE1 4.07Å; I142-F148 HydrophobicContact CG1-CG 4.21Å; I142-F148 HydrophobicContact CG2-CB 4.09Å; I142-F148 HydrophobicContact CG2-CG 4.37Å; C145-F148 HydrophobicContact CB-CD2 3.91Å; C145-F148 HydrophobicContact CB-CE2 4.2Å; D146-F148 PolarHBondContact O-N 3.43Å; F148-V150 PolarHBondContact O-N 3.36Å
149V92.3Very high96Very high141 Ų14141.2 Ų41.286%0.85521%0.21SC*.  trans-90.480.1177.8-171.30000109.3H147H147-V149 PolarHBondContact O-N 3.44Å
150V93.3Very high96Very high16 Ų1645.8 Ų45.810%0.09723%0.23CC..SBendtrans-134.1147.6-179.3-1770000109.6I142 F148 R152 V155 E191 F192I142-V150 HydrophobicContact CG2-CB 4.22Å; I142-V150 HydrophobicContact CG2-CG2 4.05Å; F148-V150 PolarHBondContact O-N 3.36Å; V150-R152 PolarHBondContact O-N 3.23Å; V150-V155 HydrophobicContact CB-CG2 4.44Å; V150-V155 HydrophobicContact CG1-CG2 3.79Å; V150-E191 HydrophobicContact CG1-CB 3.92Å; V150-E191 HydrophobicContact CG1-CG 3.84Å; V150-F192 HydrophobicContact CG1-CZ 4.24Å; V150-F192 HydrophobicContact CG2-CE1 3.97Å; V150-F192 HydrophobicContact CG2-CZ 3.82Å
151D95.3Very high96Very high66 Ų6645 Ų4535%0.35322%0.224SC..  trans-64.3103.8170.6-176.9-5.5000111.3K153 K154 V155 E191D151-K153 PolarHBondContact O-N 2.96Å; D151-K153 VanDerWaalsContact O-N 3.15Å; D151-K153 WeakPolarHBondContact OD1-CB 3.45Å; D151-K153 PolarHBondContact OD1-N 3.07Å; D151-K154 HydrophobicContact CB-CD 3.93Å; D151-K154 HydrophobicContact CB-CG 4.01Å; D151-K154 WeakPolarHBondContact O-CB 3.39Å; D151-K154 PolarHBondContact O-N 3.24Å; D151-V155 PolarHBondContact O-N 3.34Å; D151-E191 PolarHBondContact N-OE2 3.48Å
152R94Very high95.9Very high84 Ų8445.5 Ų45.532%0.31723%0.226SC..Hα-helixtrans-57.7-27.7-178.5-68.3175.9176.981.98.5113.9N143 V150 K154 V155 T156N143-R152 PolarHBondContact O-NE 3.32Å; V150-R152 PolarHBondContact O-N 3.23Å; R152-K154 VanDerWaalsContact C-N 3.29Å; R152-K154 PolarHBondContact O-N 3.38Å; R152-V155 PolarHBondContact O-N 2.96Å; R152-T156 WeakPolarHBondContact O-CB 3.42Å; R152-T156 PolarHBondContact O-N 2.99Å; R152-T156 PolarHBondContact O-OG1 3.32Å
153K95.9Very high95.7Very high164 Ų16447.7 Ų47.771%0.71324%0.238SC*.Hα-helixtrans-63.5-41.5175.6-67-178.3179.4177.50110.2D151 T156 E157D151-K153 PolarHBondContact O-N 2.96Å; D151-K153 VanDerWaalsContact O-N 3.15Å; D151-K153 WeakPolarHBondContact OD1-CB 3.45Å; D151-K153 PolarHBondContact OD1-N 3.07Å; K153-T156 PolarHBondContact O-N 3Å; K153-E157 WeakPolarHBondContact O-CG 3.38Å; K153-E157 PolarHBondContact O-N 3.43Å
154K97Very high95.6Very high55 Ų5550 Ų5024%0.23925%0.247CC..Hα-helixtrans-66.6-42.6178.6-56.3-178.8-179.2-177.10111.5D151 R152 T156 E157 V158 N187 F188 E191D151-K154 HydrophobicContact CB-CD 3.93Å; D151-K154 HydrophobicContact CB-CG 4.01Å; D151-K154 WeakPolarHBondContact O-CB 3.39Å; D151-K154 PolarHBondContact O-N 3.24Å; R152-K154 VanDerWaalsContact C-N 3.29Å; R152-K154 PolarHBondContact O-N 3.38Å; K154-T156 VanDerWaalsContact C-N 3.34Å; K154-T156 PolarHBondContact O-N 3.24Å; K154-E157 PolarHBondContact O-N 3.44Å; K154-V158 WeakPolarHBondContact O-CG2 3.4Å; K154-V158 PolarHBondContact O-N 2.92Å; K154-N187 WeakPolarHBondContact CD-O 3.38Å; K154-F188 HydrophobicContact CB-CB 4.41Å; K154-E191 HydrophobicContact CD-CG 3.81Å; K154-E191 IonicContact NZ-OE1 3.86Å; K154-E191 PolarHBondContact NZ-OE1 3.42Å
155V96.6Very high95.5Very high0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-59.7-46.7174.8-164.20000110.9L139 I142 N143 V150 D151 R152 E157 V158 I159 F188L139-V155 HydrophobicContact CB-CG1 4.17Å; L139-V155 HydrophobicContact CD2-CG1 4.08Å; L139-V155 VanDerWaalsContact O-CG1 3.31Å; L139-V155 WeakPolarHBondContact O-CG1 3.36Å; I142-V155 HydrophobicContact CG2-CG1 4.42Å; I142-V155 HydrophobicContact CG2-CG2 4.1Å; N143-V155 HydrophobicContact CB-CB 4.36Å; N143-V155 HydrophobicContact CB-CG1 3.89Å; V150-V155 HydrophobicContact CB-CG2 4.44Å; V150-V155 HydrophobicContact CG1-CG2 3.79Å; D151-V155 PolarHBondContact O-N 3.34Å; R152-V155 PolarHBondContact O-N 2.96Å; V155-E157 VanDerWaalsContact C-N 3.34Å; V155-E157 PolarHBondContact O-N 3.38Å; V155-V158 PolarHBondContact O-N 3.3Å; V155-I159 HydrophobicContact CG1-CD1 4.15Å; V155-I159 WeakPolarHBondContact O-CG1 3.48Å; V155-I159 PolarHBondContact O-N 2.9Å; V155-F188 HydrophobicContact CB-CE2 4.38Å; V155-F188 HydrophobicContact CG1-CE2 4.32Å; V155-F188 HydrophobicContact CG2-CD2 4.3Å; V155-F188 HydrophobicContact CG2-CE2 3.97Å
156T96.2Very high95.3Very high48 Ų4848.8 Ų48.829%0.29424%0.239SC..Hα-helixtrans-61.7-41-179.5-60.80000112R152 K153 K154 V158 I159 K160R152-T156 WeakPolarHBondContact O-CB 3.42Å; R152-T156 PolarHBondContact O-N 2.99Å; R152-T156 PolarHBondContact O-OG1 3.32Å; K153-T156 PolarHBondContact O-N 3Å; K154-T156 VanDerWaalsContact C-N 3.34Å; K154-T156 PolarHBondContact O-N 3.24Å; T156-V158 PolarHBondContact O-N 3.17Å; T156-I159 PolarHBondContact O-N 3.35Å; T156-K160 WeakPolarHBondContact O-CG 3.5Å; T156-K160 PolarHBondContact O-N 3.34Å
157E97.2Very high94.9Very high58 Ų5849 Ų4927%0.27124%0.238SC..Hα-helixtrans-64.1-38.6177-73.4-55.312400112.5K153 K154 V155 K160 C161 K184K153-E157 WeakPolarHBondContact O-CG 3.38Å; K153-E157 PolarHBondContact O-N 3.43Å; K154-E157 PolarHBondContact O-N 3.44Å; V155-E157 VanDerWaalsContact C-N 3.34Å; V155-E157 PolarHBondContact O-N 3.38Å; E157-K160 PolarHBondContact O-N 3.03Å; E157-K160 IonicContact OE1-NZ 4Å; E157-K160 PolarHBondContact OE1-NZ 3.48Å; E157-C161 PolarHBondContact O-N 3.27Å; E157-C161 VanDerWaalsContact O-N 3.12Å; E157-C161 PolarHBondContact O-SG 3.28Å; E157-K184 HydrophobicContact CB-CD 4.19Å; E157-K184 HydrophobicContact CB-CG 4.35Å; E157-K184 WeakPolarHBondContact OE2-CE 3.3Å; E157-K184 IonicContact OE2-NZ 2.64Å; E157-K184 PolarHBondContact OE2-NZ 2.78Å
158V96.9Very high94.6Very high0 Ų047.6 Ų47.60%023%0.234CC..Hα-helixtrans-67.9-40.7174.8178.70000111.4L28 L139 K154 V155 T156 K160 C161 R162 I185 F188L28-V158 HydrophobicContact CD2-CG1 3.81Å; L139-V158 HydrophobicContact CD1-CB 4.42Å; L139-V158 HydrophobicContact CD1-CG1 3.68Å; L139-V158 HydrophobicContact CD2-CG1 4.34Å; K154-V158 WeakPolarHBondContact O-CG2 3.4Å; K154-V158 PolarHBondContact O-N 2.92Å; V155-V158 PolarHBondContact O-N 3.3Å; T156-V158 PolarHBondContact O-N 3.17Å; V158-K160 VanDerWaalsContact C-N 3.3Å; V158-K160 PolarHBondContact O-N 2.68Å; V158-C161 PolarHBondContact O-N 3.1Å; V158-R162 PolarHBondContact O-N 3.32Å; V158-I185 HydrophobicContact CB-CD1 4.5Å; V158-I185 HydrophobicContact CG1-CD1 3.69Å; V158-I185 HydrophobicContact CG2-CD1 4.01Å; V158-F188 HydrophobicContact CG2-CB 3.59Å; V158-F188 HydrophobicContact CG2-CD1 4.3Å; V158-F188 HydrophobicContact CG2-CD2 4.39Å; V158-F188 HydrophobicContact CG2-CG 3.84Å
159I96.3Very high93.8Very high25 Ų2550.1 Ų50.113%0.12825%0.252CS..Hα-helixtrans-59-42.8174.5-69.2169.2000110.8V136 L139 N143 V155 T156 R162 N163V136-I159 HydrophobicContact CG2-CG2 4.28Å; L139-I159 HydrophobicContact CB-CD1 3.94Å; L139-I159 HydrophobicContact CB-CG1 3.62Å; L139-I159 HydrophobicContact CD1-CG1 4.11Å; L139-I159 HydrophobicContact CG-CG1 4.46Å; N143-I159 HydrophobicContact CB-CD1 4.4Å; V155-I159 HydrophobicContact CG1-CD1 4.15Å; V155-I159 WeakPolarHBondContact O-CG1 3.48Å; V155-I159 PolarHBondContact O-N 2.9Å; T156-I159 PolarHBondContact O-N 3.35Å; I159-R162 WeakPolarHBondContact O-CB 3.4Å; I159-R162 PolarHBondContact O-N 3.16Å; I159-N163 PolarHBondContact O-N 2.93Å; I159-N163 PolarHBondContact O-OD1 3.07Å
160K96.2Very high93.5Very high96 Ų9648.4 Ų48.442%0.41724%0.235SC..Hα-helixtrans-59.6-48.6176.2-73173.9-175.91700111.6T156 E157 V158 R162 N163 E164T156-K160 WeakPolarHBondContact O-CG 3.5Å; T156-K160 PolarHBondContact O-N 3.34Å; E157-K160 PolarHBondContact O-N 3.03Å; E157-K160 IonicContact OE1-NZ 4Å; E157-K160 PolarHBondContact OE1-NZ 3.48Å; V158-K160 VanDerWaalsContact C-N 3.3Å; V158-K160 PolarHBondContact O-N 2.68Å; K160-R162 VanDerWaalsContact C-N 3.33Å; K160-R162 PolarHBondContact O-N 2.65Å; K160-N163 PolarHBondContact O-N 3.35Å; K160-N163 VanDerWaalsContact O-N 3.16Å; K160-E164 WeakPolarHBondContact O-CG 3.34Å; K160-E164 PolarHBondContact O-N 2.76Å
161C95.9Very high93.5Very high2 Ų247.7 Ų47.71%0.01423%0.23CC..Hα-helixtrans-61.7-39.8177.8-68.10000112.8E157 V158 N163 E164 I165 W177 F181 K184E157-C161 PolarHBondContact O-N 3.27Å; E157-C161 VanDerWaalsContact O-N 3.12Å; E157-C161 PolarHBondContact O-SG 3.28Å; V158-C161 PolarHBondContact O-N 3.1Å; C161-N163 VanDerWaalsContact C-N 3.34Å; C161-N163 PolarHBondContact O-N 3.22Å; C161-E164 PolarHBondContact O-N 2.92Å; C161-I165 WeakPolarHBondContact O-CG1 3.35Å; C161-I165 PolarHBondContact O-N 3.11Å; C161-W177 HydrophobicContact CB-CH2 4.34Å; C161-W177 HydrophobicContact CB-CZ2 4Å; C161-F181 HydrophobicContact CB-CD2 3.54Å; C161-F181 HydrophobicContact CB-CE2 3.98Å; C161-K184 VanDerWaalsContact SG-CD 3.51Å
162R95.4Very high93.5Very high13 Ų1347.9 Ų47.95%0.04923%0.228CC..Hα-helixtrans-56.7-49.4172.9-166.9-64.2-61.6-1511.7110.6L25 V136 V158 I159 K160 E164 I165 M166 E253L25-R162 HydrophobicContact CD1-CB 4.24Å; L25-R162 HydrophobicContact CD1-CG 4.07Å; L25-R162 HydrophobicContact CD2-CB 4.22Å; L25-R162 HydrophobicContact CD2-CG 4.28Å; V136-R162 VanDerWaalsContact CG1-NH2 3.28Å; V158-R162 PolarHBondContact O-N 3.32Å; I159-R162 WeakPolarHBondContact O-CB 3.4Å; I159-R162 PolarHBondContact O-N 3.16Å; K160-R162 VanDerWaalsContact C-N 3.33Å; K160-R162 PolarHBondContact O-N 2.65Å; R162-E164 VanDerWaalsContact C-N 3.35Å; R162-E164 PolarHBondContact O-N 3.14Å; R162-I165 PolarHBondContact O-N 3.1Å; R162-M166 WeakPolarHBondContact O-CG 3.44Å; R162-M166 PolarHBondContact O-N 2.92Å; R162-E253 IonicContact CZ-OE1 3.55Å; R162-E253 IonicContact CZ-OE2 3.85Å; R162-E253 IonicContact NH1-OE1 3.58Å; R162-E253 IonicContact NH1-OE2 3.42Å; R162-E253 PolarHBondContact NH1-OE2 3.04Å; R162-E253 IonicContact NH2-OE1 2.72Å; R162-E253 PolarHBondContact NH2-OE1 3.43Å; R162-E253 IonicContact NH2-OE2 3.15Å
163N94.1Very high93.5Very high48 Ų4844.6 Ų44.626%0.25722%0.217SC..Hα-helixtrans-63-41180-65.6-10.6000111.5I159 K160 C161 I165 M166 H167I159-N163 PolarHBondContact O-N 2.93Å; I159-N163 PolarHBondContact O-OD1 3.07Å; K160-N163 PolarHBondContact O-N 3.35Å; K160-N163 VanDerWaalsContact O-N 3.16Å; C161-N163 VanDerWaalsContact C-N 3.34Å; C161-N163 PolarHBondContact O-N 3.22Å; N163-I165 PolarHBondContact O-N 3.36Å; N163-M166 PolarHBondContact O-N 2.64Å; N163-H167 WeakPolarHBondContact O-CB 3.31Å; N163-H167 PolarHBondContact O-N 2.91Å
164E94.1Very high93.4Very high85 Ų8538.8 Ų38.840%0.39720%0.197SC..Hα-helixtrans-60.3-42.6175.4-71.9165.7-174.400111.9K160 C161 R162 H167 S168 W177K160-E164 WeakPolarHBondContact O-CG 3.34Å; K160-E164 PolarHBondContact O-N 2.76Å; C161-E164 PolarHBondContact O-N 2.92Å; R162-E164 VanDerWaalsContact C-N 3.35Å; R162-E164 PolarHBondContact O-N 3.14Å; E164-H167 PolarHBondContact O-N 3.03Å; E164-S168 PolarHBondContact O-N 3.25Å; E164-W177 HydrophobicContact CB-CZ2 4.12Å; E164-W177 PolarHBondContact OE2-NE1 3.31Å
165I93.8Very high93.2Very high0 Ų039.9 Ų39.90%021%0.212CC..Hα-helixtrans-62.4-47.7174.9-71.7-73.2000111.6W18 A21 L25 C161 R162 N163 H167 S168 V173 W177W18-I165 HydrophobicContact CG-CD1 4.49Å; W18-I165 PolarHBondContact NE1-O 3.48Å; A21-I165 HydrophobicContact CB-CD1 3.51Å; A21-I165 HydrophobicContact CB-CG1 4.17Å; L25-I165 HydrophobicContact CD1-CB 4.38Å; L25-I165 HydrophobicContact CD1-CG1 4.38Å; L25-I165 HydrophobicContact CD1-CG2 4.35Å; C161-I165 WeakPolarHBondContact O-CG1 3.35Å; C161-I165 PolarHBondContact O-N 3.11Å; R162-I165 PolarHBondContact O-N 3.1Å; N163-I165 PolarHBondContact O-N 3.36Å; I165-H167 VanDerWaalsContact C-N 3.28Å; I165-H167 PolarHBondContact O-N 3.38Å; I165-S168 PolarHBondContact O-N 3.01Å; I165-V173 HydrophobicContact CD1-CG1 3.76Å; I165-V173 HydrophobicContact CD1-CG2 4.32Å; I165-W177 HydrophobicContact CD1-CH2 3.5Å; I165-W177 VanDerWaalsContact CD1-CH2 3.5Å; I165-W177 HydrophobicContact CD1-CZ2 4.34Å; I165-W177 HydrophobicContact CD1-CZ3 3.68Å; I165-W177 HydrophobicContact CG1-CH2 3.42Å; I165-W177 VanDerWaalsContact CG1-CH2 3.42Å; I165-W177 HydrophobicContact CG1-CZ2 4.07Å; I165-W177 HydrophobicContact CG1-CZ3 4.14Å
166M91.3Very high93.1Very high0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-74.1-20.1-178.7-66-59.6153.900113R162 N163 L246 E249 K250 E253 R271R162-M166 WeakPolarHBondContact O-CG 3.44Å; R162-M166 PolarHBondContact O-N 2.92Å; N163-M166 PolarHBondContact O-N 2.64Å; M166-L246 HydrophobicContact CE-CD2 4.05Å; M166-E249 HydrophobicContact CE-CB 4.3Å; M166-E249 HydrophobicContact SD-CB 4.36Å; M166-K250 PolarHBondContact O-NZ 3.43Å; M166-K250 HydrophobicContact SD-CB 4.03Å; M166-E253 WeakPolarHBondContact CB-OE2 3.4Å; M166-E253 WeakPolarHBondContact CG-OE2 3.36Å; M166-R271 PolarHBondContact O-NH2 2.83Å
167H89.1Confident93.1Very high71 Ų7144 Ų4433%0.32923%0.232SC..Hα-helixtrans-97-12.8176.8-66.2-175.6000113.5N163 E164 I165 S169 E253 Q257 R271N163-H167 WeakPolarHBondContact O-CB 3.31Å; N163-H167 PolarHBondContact O-N 2.91Å; E164-H167 PolarHBondContact O-N 3.03Å; I165-H167 VanDerWaalsContact C-N 3.28Å; I165-H167 PolarHBondContact O-N 3.38Å; H167-S169 PolarHBondContact O-N 3.23Å; H167-S169 VanDerWaalsContact O-N 3.08Å; H167-E253 IonicContact NE2-OE1 2.74Å; H167-E253 PolarHBondContact NE2-OE1 3.49Å; H167-Q257 PolarHBondContact NE2-NE2 3.28Å; H167-R271 PolarHBondContact CD2-NH2 2.68Å
168S89.4Confident93Very high22 Ų2241.8 Ų41.815%0.15422%0.222CC..  trans-50.9116.8173.8175.60000110.6E164 I165 E170 M171 K172 K250E164-S168 PolarHBondContact O-N 3.25Å; I165-S168 PolarHBondContact O-N 3.01Å; S168-E170 VanDerWaalsContact C-N 3.34Å; S168-E170 PolarHBondContact O-N 2.93Å; S168-M171 WeakPolarHBondContact O-CE 3.46Å; S168-M171 PolarHBondContact OG-N 3.41Å; S168-K172 PolarHBondContact OG-N 2.98Å; S168-K172 VanDerWaalsContact OG-N 3.11Å; S168-K172 PolarHBondContact OG-O 3.22Å; S168-K250 PolarHBondContact O-NZ 2.99Å
169S79.6Confident92.8Very high59 Ų5949.1 Ų49.141%0.41325%0.25SC..THydrogen-bonded Turntrans-68.8-32.5-174.748.80000112.3H167 M171 V274H167-S169 PolarHBondContact O-N 3.23Å; H167-S169 VanDerWaalsContact O-N 3.08Å; S169-M171 WeakPolarHBondContact O-CE 3.42Å; S169-V274 WeakPolarHBondContact O-CG1 3.38Å
170E85.9Confident92.8Very high105 Ų10551.7 Ų51.749%0.49126%0.264SS..THydrogen-bonded Turntrans-107.78.6-175.5-64-172.2-165.100114.2S168 K172S168-E170 VanDerWaalsContact C-N 3.34Å; S168-E170 PolarHBondContact O-N 2.93Å; E170-K172 HydrophobicContact CB-CB 4.33Å; E170-K172 HydrophobicContact CB-CD 4.02Å; E170-K172 HydrophobicContact CB-CG 4.24Å; E170-K172 WeakPolarHBondContact O-CG 3.45Å; E170-K172 PolarHBondContact O-N 2.86Å; E170-K172 IonicContact OE2-NZ 3.78Å; E170-K172 PolarHBondContact OE2-NZ 3.05Å
171M93.7Very high92.7Very high1 Ų147.1 Ų47.11%0.00524%0.244CC..SBendtrans56.939.3-174.5-55.880.2-114.500111.4Y15 W18 S168 S169 L247 K250 V275 F278Y15-M171 HydrophobicContact CD2-CB 4.08Å; Y15-M171 VanDerWaalsContact CD2-O 3.26Å; Y15-M171 WeakPolarHBondContact CD2-O 3.27Å; Y15-M171 HydrophobicContact CE2-CB 3.88Å; W18-M171 WeakPolarHBondContact CB-O 3.45Å; W18-M171 HydrophobicContact CD2-CB 3.75Å; W18-M171 HydrophobicContact CD2-CG 4.47Å; W18-M171 HydrophobicContact CE3-CB 3.89Å; W18-M171 HydrophobicContact CG-CB 4.24Å; W18-M171 VanDerWaalsContact CG-O 3.25Å; W18-M171 HydrophobicContact CH2-CB 4.32Å; W18-M171 HydrophobicContact CH2-CG 4.12Å; W18-M171 HydrophobicContact CZ2-CB 4.19Å; W18-M171 HydrophobicContact CZ2-CG 4.01Å; W18-M171 HydrophobicContact CZ3-CB 4.18Å; W18-M171 HydrophobicContact CZ3-CG 4.39Å; S168-M171 WeakPolarHBondContact O-CE 3.46Å; S168-M171 PolarHBondContact OG-N 3.41Å; S169-M171 WeakPolarHBondContact O-CE 3.42Å; M171-L247 HydrophobicContact CG-CD2 4.41Å; M171-K250 HydrophobicContact CE-CD 4.27Å; M171-V275 HydrophobicContact CE-CG2 3.78Å; M171-F278 HydrophobicContact SD-CB 4.39Å; M171-F278 HydrophobicContact SD-CD2 4.18Å; M171-F278 HydrophobicContact SD-CG 4.14Å
172K93.9Very high92.7Very high70 Ų7048.7 Ų48.730%0.30425%0.251SS..  trans-130.5143.3-176.6-75.2176.6-165.2164.50110.1E14 S168 E170E14-K172 HydrophobicContact CB-CB 3.74Å; E14-K172 HydrophobicContact CB-CD 4.21Å; E14-K172 HydrophobicContact CB-CG 3.86Å; E14-K172 WeakPolarHBondContact O-CA 3.39Å; S168-K172 PolarHBondContact OG-N 2.98Å; S168-K172 VanDerWaalsContact OG-N 3.11Å; S168-K172 PolarHBondContact OG-O 3.22Å; E170-K172 HydrophobicContact CB-CB 4.33Å; E170-K172 HydrophobicContact CB-CD 4.02Å; E170-K172 HydrophobicContact CB-CG 4.24Å; E170-K172 WeakPolarHBondContact O-CG 3.45Å; E170-K172 PolarHBondContact O-N 2.86Å; E170-K172 IonicContact OE2-NZ 3.78Å; E170-K172 PolarHBondContact OE2-NZ 3.05Å
173V94.8Very high92.6Very high15 Ų1552.3 Ų52.39%0.09127%0.269CS..  trans-142.6146.1168.3-63.20000110.7E14 N17 W18 I165 W177E14-V173 VanDerWaalsContact CA-O 3.26Å; E14-V173 WeakPolarHBondContact CA-O 3.26Å; E14-V173 WeakPolarHBondContact CB-O 3.11Å; E14-V173 PolarHBondContact O-N 3Å; N17-V173 HydrophobicContact CB-CG2 3.6Å; N17-V173 WeakPolarHBondContact CB-O 3.43Å; N17-V173 PolarHBondContact ND2-O 2.95Å; W18-V173 HydrophobicContact CB-CG2 4.23Å; I165-V173 HydrophobicContact CD1-CG1 3.76Å; I165-V173 HydrophobicContact CD1-CG2 4.32Å; V173-W177 HydrophobicContact CB-CD2 4.05Å; V173-W177 HydrophobicContact CB-CE3 3.63Å; V173-W177 HydrophobicContact CB-CG 4.49Å; V173-W177 HydrophobicContact CB-CZ3 4.23Å; V173-W177 HydrophobicContact CG1-CD2 4.19Å; V173-W177 HydrophobicContact CG1-CE3 3.94Å; V173-W177 HydrophobicContact CG1-CZ3 4.2Å; V173-W177 HydrophobicContact CG2-CE3 3.61Å; V173-W177 HydrophobicContact CG2-CZ3 3.92Å
174S94.5Very high92.8Very high42 Ų4252.4 Ų52.429%0.29427%0.268SS..  trans-71.8158.6-178.572.20000112.1T176 W177 L178S174-T176 VanDerWaalsContact C-N 3.27Å; S174-T176 PolarHBondContact O-N 3.15Å; S174-T176 PolarHBondContact OG-OG1 3.33Å; S174-W177 WeakPolarHBondContact O-CB 3.36Å; S174-W177 PolarHBondContact O-N 2.95Å; S174-W177 VanDerWaalsContact OG-CB 3.31Å; S174-W177 WeakPolarHBondContact OG-CB 3.42Å; S174-W177 PolarHBondContact OG-N 3.37Å; S174-W177 VanDerWaalsContact OG-N 3.13Å; S174-L178 PolarHBondContact O-N 3.16Å
175S92.6Very high92.8Very high77 Ų7748.4 Ų48.454%0.53825%0.249SC..Hα-helixtrans-66-31175.6-52.50000112.6N17 L178 R179N17-S175 WeakPolarHBondContact ND2-CA 3.46Å; N17-S175 PolarHBondContact ND2-N 2.98Å; N17-S175 PolarHBondContact ND2-OG 2.97Å; N17-S175 VanDerWaalsContact ND2-OG 3.16Å; S175-L178 PolarHBondContact O-N 3.36Å; S175-R179 PolarHBondContact O-N 3.05Å; S175-R179 VanDerWaalsContact O-N 3.12Å
176T94.6Very high92.7Very high89 Ų8950.3 Ų50.355%0.54626%0.258SS..Hα-helixtrans-64.8-42.2173.949.50000111.2S174 R179 D180S174-T176 VanDerWaalsContact C-N 3.27Å; S174-T176 PolarHBondContact O-N 3.15Å; S174-T176 PolarHBondContact OG-OG1 3.33Å; T176-R179 PolarHBondContact O-N 3Å; T176-D180 PolarHBondContact O-N 3.42Å
177W95.8Very high92.9Very high45 Ų4554.3 Ų54.317%0.1728%0.279CS..Hα-helixtrans-63.6-43.9174.8-177.194.9000111.6A21 C161 E164 I165 V173 S174 R179 D180 F181A21-W177 HydrophobicContact CB-CH2 4.23Å; A21-W177 HydrophobicContact CB-CZ3 3.76Å; C161-W177 HydrophobicContact CB-CH2 4.34Å; C161-W177 HydrophobicContact CB-CZ2 4Å; E164-W177 HydrophobicContact CB-CZ2 4.12Å; E164-W177 PolarHBondContact OE2-NE1 3.31Å; I165-W177 HydrophobicContact CD1-CH2 3.5Å; I165-W177 VanDerWaalsContact CD1-CH2 3.5Å; I165-W177 HydrophobicContact CD1-CZ2 4.34Å; I165-W177 HydrophobicContact CD1-CZ3 3.68Å; I165-W177 HydrophobicContact CG1-CH2 3.42Å; I165-W177 VanDerWaalsContact CG1-CH2 3.42Å; I165-W177 HydrophobicContact CG1-CZ2 4.07Å; I165-W177 HydrophobicContact CG1-CZ3 4.14Å; V173-W177 HydrophobicContact CB-CD2 4.05Å; V173-W177 HydrophobicContact CB-CE3 3.63Å; V173-W177 HydrophobicContact CB-CG 4.49Å; V173-W177 HydrophobicContact CB-CZ3 4.23Å; V173-W177 HydrophobicContact CG1-CD2 4.19Å; V173-W177 HydrophobicContact CG1-CE3 3.94Å; V173-W177 HydrophobicContact CG1-CZ3 4.2Å; V173-W177 HydrophobicContact CG2-CE3 3.61Å; V173-W177 HydrophobicContact CG2-CZ3 3.92Å; S174-W177 WeakPolarHBondContact O-CB 3.36Å; S174-W177 PolarHBondContact O-N 2.95Å; S174-W177 VanDerWaalsContact OG-CB 3.31Å; S174-W177 WeakPolarHBondContact OG-CB 3.42Å; S174-W177 PolarHBondContact OG-N 3.37Å; S174-W177 VanDerWaalsContact OG-N 3.13Å; W177-R179 VanDerWaalsContact C-N 3.29Å; W177-R179 PolarHBondContact O-N 3.22Å; W177-D180 PolarHBondContact O-N 2.99Å; W177-D180 VanDerWaalsContact O-N 3.16Å; W177-F181 HydrophobicContact CE3-CB 4.18Å; W177-F181 HydrophobicContact CH2-CB 3.9Å; W177-F181 AromaticContact CH2-CD2 3.94Å; W177-F181 HydrophobicContact CH2-CD2 3.94Å; W177-F181 AromaticContact CH2-CG 3.92Å; W177-F181 HydrophobicContact CH2-CG 3.92Å; W177-F181 HydrophobicContact CZ2-CB 4.45Å; W177-F181 HydrophobicContact CZ3-CB 3.75Å; W177-F181 HydrophobicContact CZ3-CD1 4.44Å; W177-F181 HydrophobicContact CZ3-CD2 4.45Å; W177-F181 AromaticContact CZ3-CG 3.97Å; W177-F181 HydrophobicContact CZ3-CG 3.97Å; W177-F181 WeakPolarHBondContact O-CB 3.42Å; W177-F181 PolarHBondContact O-N 2.92Å
178L94.3Very high93.2Very high13 Ų1351 Ų517%0.06826%0.264CS..Hα-helixtrans-60.9-38.3179.5-175.667.3000112.2N17 K20 A21 S174 S175 F181 Q182 L209N17-L178 HydrophobicContact CB-CB 4.41Å; N17-L178 HydrophobicContact CB-CD2 3.99Å; N17-L178 WeakPolarHBondContact OD1-CD2 3.38Å; K20-L178 HydrophobicContact CB-CD1 4.48Å; K20-L178 HydrophobicContact CD-CD2 4.09Å; A21-L178 HydrophobicContact CB-CD1 3.89Å; S174-L178 PolarHBondContact O-N 3.16Å; S175-L178 PolarHBondContact O-N 3.36Å; L178-F181 HydrophobicContact CD1-CD1 4.1Å; L178-F181 WeakPolarHBondContact O-CB 3.28Å; L178-F181 PolarHBondContact O-N 3.36Å; L178-Q182 PolarHBondContact O-N 3.47Å; L178-L209 HydrophobicContact CD1-CD2 4.03Å
179R93.3Very high93.4Very high154 Ų15450.1 Ų50.158%0.58126%0.258SS*.Hα-helixtrans-65.6-42.6175.6-175.7177.562-171-1.8112.1S175 T176 W177 F181 Q182 M183S175-R179 PolarHBondContact O-N 3.05Å; S175-R179 VanDerWaalsContact O-N 3.12Å; T176-R179 PolarHBondContact O-N 3Å; W177-R179 VanDerWaalsContact C-N 3.29Å; W177-R179 PolarHBondContact O-N 3.22Å; R179-F181 VanDerWaalsContact C-N 3.34Å; R179-Q182 WeakPolarHBondContact O-CB 3.49Å; R179-Q182 PolarHBondContact O-N 3.41Å; R179-M183 PolarHBondContact O-N 3.32Å; R179-M183 VanDerWaalsContact O-N 3.16Å
180D96.3Very high94Very high78 Ų7850.8 Ų50.842%0.41726%0.257SS..Hα-helixtrans-63-42.1174.4-99.135.6000111.6T176 W177 Q182 M183 K184T176-D180 PolarHBondContact O-N 3.42Å; W177-D180 PolarHBondContact O-N 2.99Å; W177-D180 VanDerWaalsContact O-N 3.16Å; D180-Q182 PolarHBondContact O-N 2.83Å; D180-M183 HydrophobicContact CB-CE 4.49Å; D180-M183 PolarHBondContact O-N 3.13Å; D180-M183 WeakPolarHBondContact OD1-CE 3.34Å; D180-K184 WeakPolarHBondContact O-CG 3.41Å; D180-K184 PolarHBondContact O-N 2.85Å
181F95.4Very high94.4Very high1 Ų149.1 Ų49.10%0.00425%0.249CC..Hα-helixtrans-57.7-46.7173.4170.1-106.7000112A21 C24 L25 C161 W177 L178 R179 M183 K184 I185 L209A21-F181 HydrophobicContact CB-CD1 4.07Å; A21-F181 HydrophobicContact CB-CE1 3.88Å; A21-F181 HydrophobicContact CB-CZ 4.34Å; C24-F181 HydrophobicContact CB-CE1 3.78Å; C24-F181 HydrophobicContact CB-CZ 4Å; L25-F181 HydrophobicContact CD2-CE2 4.21Å; L25-F181 HydrophobicContact CD2-CZ 4.27Å; L25-F181 HydrophobicContact CG-CE2 4.43Å; L25-F181 HydrophobicContact CG-CZ 4.16Å; C161-F181 HydrophobicContact CB-CD2 3.54Å; C161-F181 HydrophobicContact CB-CE2 3.98Å; W177-F181 HydrophobicContact CE3-CB 4.18Å; W177-F181 HydrophobicContact CH2-CB 3.9Å; W177-F181 AromaticContact CH2-CD2 3.94Å; W177-F181 HydrophobicContact CH2-CD2 3.94Å; W177-F181 AromaticContact CH2-CG 3.92Å; W177-F181 HydrophobicContact CH2-CG 3.92Å; W177-F181 HydrophobicContact CZ2-CB 4.45Å; W177-F181 HydrophobicContact CZ3-CB 3.75Å; W177-F181 HydrophobicContact CZ3-CD1 4.44Å; W177-F181 HydrophobicContact CZ3-CD2 4.45Å; W177-F181 AromaticContact CZ3-CG 3.97Å; W177-F181 HydrophobicContact CZ3-CG 3.97Å; W177-F181 WeakPolarHBondContact O-CB 3.42Å; W177-F181 PolarHBondContact O-N 2.92Å; L178-F181 HydrophobicContact CD1-CD1 4.1Å; L178-F181 WeakPolarHBondContact O-CB 3.28Å; L178-F181 PolarHBondContact O-N 3.36Å; R179-F181 VanDerWaalsContact C-N 3.34Å; F181-M183 VanDerWaalsContact C-N 3.35Å; F181-M183 PolarHBondContact O-N 3.46Å; F181-K184 PolarHBondContact O-N 2.89Å; F181-I185 HydrophobicContact CD1-CG1 4.35Å; F181-I185 HydrophobicContact CD2-CD1 4.44Å; F181-I185 HydrophobicContact CD2-CG1 3.87Å; F181-I185 HydrophobicContact CE1-CG1 3.93Å; F181-I185 HydrophobicContact CE2-CD1 3.63Å; F181-I185 HydrophobicContact CE2-CG1 3.43Å; F181-I185 VanDerWaalsContact CE2-CG1 3.43Å; F181-I185 HydrophobicContact CG-CG1 4.34Å; F181-I185 HydrophobicContact CZ-CD1 3.77Å; F181-I185 HydrophobicContact CZ-CG1 3.48Å; F181-I185 VanDerWaalsContact CZ-CG1 3.48Å; F181-I185 WeakPolarHBondContact O-CG1 3.29Å; F181-I185 PolarHBondContact O-N 3.06Å; F181-L209 HydrophobicContact CD1-CD2 4.21Å; F181-L209 HydrophobicContact CE1-CD1 4.34Å; F181-L209 HydrophobicContact CE1-CD2 4.05Å
182Q94.2Very high94.4Very high35 Ų3549.3 Ų49.316%0.16425%0.249CC..Hα-helixtrans-55.8-48.5176.9179.5-180-5.900111.7L178 R179 D180 K184 I185 Q186 L209L178-Q182 PolarHBondContact O-N 3.47Å; R179-Q182 WeakPolarHBondContact O-CB 3.49Å; R179-Q182 PolarHBondContact O-N 3.41Å; D180-Q182 PolarHBondContact O-N 2.83Å; Q182-K184 VanDerWaalsContact C-N 3.33Å; Q182-K184 PolarHBondContact O-N 2.9Å; Q182-I185 PolarHBondContact O-N 2.81Å; Q182-Q186 HydrophobicContact CG-CG 4.45Å; Q182-Q186 WeakPolarHBondContact O-CB 3.46Å; Q182-Q186 VanDerWaalsContact O-CG 3.3Å; Q182-Q186 WeakPolarHBondContact O-CG 3.39Å; Q182-Q186 PolarHBondContact O-N 3.37Å; Q182-L209 HydrophobicContact CB-CD1 3.94Å; Q182-L209 HydrophobicContact CG-CB 4.18Å; Q182-L209 HydrophobicContact CG-CD1 3.87Å
183M94.9Very high94.2Very high88 Ų8854.7 Ų54.743%0.43327%0.268SS..Hα-helixtrans-61-41.6178.2-68.2-173.1-69.500112R179 D180 F181 N187R179-M183 PolarHBondContact O-N 3.32Å; R179-M183 VanDerWaalsContact O-N 3.16Å; D180-M183 HydrophobicContact CB-CE 4.49Å; D180-M183 PolarHBondContact O-N 3.13Å; D180-M183 WeakPolarHBondContact OD1-CE 3.34Å; F181-M183 VanDerWaalsContact C-N 3.35Å; F181-M183 PolarHBondContact O-N 3.46Å; M183-N187 WeakPolarHBondContact O-CB 3.34Å; M183-N187 PolarHBondContact O-N 3.02Å; M183-N187 PolarHBondContact O-ND2 2.87Å; M183-N187 VanDerWaalsContact O-ND2 3.14Å
184K96.5Very high94Very high51 Ų5160.6 Ų60.622%0.22230%0.299CS..Hα-helixtrans-65.2-42.6178.4-70.5172.8-178-160.10112.1E157 C161 D180 F181 Q182 N187 F188E157-K184 HydrophobicContact CB-CD 4.19Å; E157-K184 HydrophobicContact CB-CG 4.35Å; E157-K184 WeakPolarHBondContact OE2-CE 3.3Å; E157-K184 IonicContact OE2-NZ 2.64Å; E157-K184 PolarHBondContact OE2-NZ 2.78Å; C161-K184 VanDerWaalsContact SG-CD 3.51Å; D180-K184 WeakPolarHBondContact O-CG 3.41Å; D180-K184 PolarHBondContact O-N 2.85Å; F181-K184 PolarHBondContact O-N 2.89Å; Q182-K184 VanDerWaalsContact C-N 3.33Å; Q182-K184 PolarHBondContact O-N 2.9Å; K184-N187 PolarHBondContact O-N 2.77Å; K184-F188 PolarHBondContact O-N 3.33Å
185I94.7Very high93.8Very high0 Ų060.1 Ų60.10%029%0.293CS..Hα-helixtrans-65.2-45.6176.6-69.6-71.6000111.2L28 V158 F181 Q182 N187 F188 L189 I205L28-I185 HydrophobicContact CD2-CD1 4.01Å; V158-I185 HydrophobicContact CB-CD1 4.5Å; V158-I185 HydrophobicContact CG1-CD1 3.69Å; V158-I185 HydrophobicContact CG2-CD1 4.01Å; F181-I185 HydrophobicContact CD1-CG1 4.35Å; F181-I185 HydrophobicContact CD2-CD1 4.44Å; F181-I185 HydrophobicContact CD2-CG1 3.87Å; F181-I185 HydrophobicContact CE1-CG1 3.93Å; F181-I185 HydrophobicContact CE2-CD1 3.63Å; F181-I185 HydrophobicContact CE2-CG1 3.43Å; F181-I185 VanDerWaalsContact CE2-CG1 3.43Å; F181-I185 HydrophobicContact CG-CG1 4.34Å; F181-I185 HydrophobicContact CZ-CD1 3.77Å; F181-I185 HydrophobicContact CZ-CG1 3.48Å; F181-I185 VanDerWaalsContact CZ-CG1 3.48Å; F181-I185 WeakPolarHBondContact O-CG1 3.29Å; F181-I185 PolarHBondContact O-N 3.06Å; Q182-I185 PolarHBondContact O-N 2.81Å; I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 3.14Å; I185-F188 PolarHBondContact O-N 3.31Å; I185-L189 HydrophobicContact CG2-CD1 3.61Å; I185-L189 HydrophobicContact CG2-CG 4.26Å; I185-L189 WeakPolarHBondContact O-CB 3.34Å; I185-L189 WeakPolarHBondContact O-CG 3.4Å; I185-L189 PolarHBondContact O-N 2.93Å; I185-I205 HydrophobicContact CG2-CG2 3.98Å
186Q93Very high93.6Very high40 Ų4061.4 Ų61.419%0.18730%0.299CS..Hα-helixtrans-58.6-46.1176.2-74.5175.2-32.600111.1Q182 F188 L189 N190 Y202 E206Q182-Q186 HydrophobicContact CG-CG 4.45Å; Q182-Q186 WeakPolarHBondContact O-CB 3.46Å; Q182-Q186 VanDerWaalsContact O-CG 3.3Å; Q182-Q186 WeakPolarHBondContact O-CG 3.39Å; Q182-Q186 PolarHBondContact O-N 3.37Å; Q186-F188 VanDerWaalsContact C-N 3.32Å; Q186-F188 PolarHBondContact O-N 3.07Å; Q186-L189 PolarHBondContact O-N 3.19Å; Q186-N190 WeakPolarHBondContact O-CB 3.49Å; Q186-N190 VanDerWaalsContact O-CG 3.25Å; Q186-N190 PolarHBondContact O-N 2.94Å; Q186-N190 PolarHBondContact O-ND2 3.26Å; Q186-N190 VanDerWaalsContact O-ND2 3.1Å; Q186-Y202 HydrophobicContact CB-CE2 4.36Å; Q186-Y202 HydrophobicContact CG-CE2 3.89Å; Q186-E206 PolarHBondContact NE2-OE1 2.66Å
187N94.8Very high93.2Very high85 Ų8562 Ų6246%0.45530%0.296SS..Hα-helixtrans-59.4-41.7177.2-76.6-30000112.7K154 M183 K184 I185K154-N187 WeakPolarHBondContact CD-O 3.38Å; M183-N187 WeakPolarHBondContact O-CB 3.34Å; M183-N187 PolarHBondContact O-N 3.02Å; M183-N187 PolarHBondContact O-ND2 2.87Å; M183-N187 VanDerWaalsContact O-ND2 3.14Å; K184-N187 PolarHBondContact O-N 2.77Å; I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 3.14Å
188F95.6Very high93Very high0 Ų059.9 Ų59.90%029%0.288CS..Hα-helixtrans-67.2-49176171-101.2000112.3L28 L32 L139 K154 V155 V158 K184 I185 Q186 N190 E191 F192L28-F188 HydrophobicContact CD1-CD1 4.13Å; L28-F188 HydrophobicContact CD1-CE1 3.81Å; L28-F188 HydrophobicContact CD2-CE1 4.41Å; L32-F188 HydrophobicContact CD1-CE1 4.3Å; L32-F188 HydrophobicContact CD1-CZ 4.25Å; L32-F188 HydrophobicContact CD2-CE1 4.35Å; L32-F188 HydrophobicContact CD2-CZ 4.27Å; L139-F188 HydrophobicContact CD2-CE1 4.02Å; L139-F188 HydrophobicContact CD2-CE2 3.92Å; L139-F188 HydrophobicContact CD2-CZ 3.48Å; L139-F188 VanDerWaalsContact CD2-CZ 3.48Å; K154-F188 HydrophobicContact CB-CB 4.41Å; V155-F188 HydrophobicContact CB-CE2 4.38Å; V155-F188 HydrophobicContact CG1-CE2 4.32Å; V155-F188 HydrophobicContact CG2-CD2 4.3Å; V155-F188 HydrophobicContact CG2-CE2 3.97Å; V158-F188 HydrophobicContact CG2-CB 3.59Å; V158-F188 HydrophobicContact CG2-CD1 4.3Å; V158-F188 HydrophobicContact CG2-CD2 4.39Å; V158-F188 HydrophobicContact CG2-CG 3.84Å; K184-F188 PolarHBondContact O-N 3.33Å; I185-F188 PolarHBondContact O-N 3.31Å; Q186-F188 VanDerWaalsContact C-N 3.32Å; Q186-F188 PolarHBondContact O-N 3.07Å; F188-N190 PolarHBondContact O-N 3.36Å; F188-E191 VanDerWaalsContact O-CB 3.24Å; F188-E191 WeakPolarHBondContact O-CB 3.34Å; F188-E191 WeakPolarHBondContact O-CG 3.39Å; F188-E191 PolarHBondContact O-N 2.94Å; F188-F192 HydrophobicContact CD1-CE2 4.32Å; F188-F192 HydrophobicContact CD2-CE2 4.22Å; F188-F192 HydrophobicContact CE1-CD2 4.39Å; F188-F192 AromaticContact CE1-CE2 3.74Å; F188-F192 HydrophobicContact CE1-CE2 3.74Å; F188-F192 AromaticContact CE2-CE2 3.64Å; F188-F192 HydrophobicContact CE2-CE2 3.64Å; F188-F192 HydrophobicContact CE2-CZ 4.11Å; F188-F192 HydrophobicContact CZ-CD2 4.42Å; F188-F192 AromaticContact CZ-CE2 3.38Å; F188-F192 HydrophobicContact CZ-CE2 3.38Å; F188-F192 AromaticContact CZ-CZ 3.9Å; F188-F192 HydrophobicContact CZ-CZ 3.9Å
189L93.2Very high92.7Very high5 Ų561.9 Ų61.93%0.02630%0.301CS..Hα-helixtrans-64-28-178.1-73.4172.8000112.7L28 I185 Q186 E191 F192 I198 Y202 I205L28-L189 HydrophobicContact CD1-CD1 4.49Å; L28-L189 HydrophobicContact CD1-CD2 3.58Å; L28-L189 HydrophobicContact CD1-CG 4.22Å; I185-L189 HydrophobicContact CG2-CD1 3.61Å; I185-L189 HydrophobicContact CG2-CG 4.26Å; I185-L189 WeakPolarHBondContact O-CB 3.34Å; I185-L189 WeakPolarHBondContact O-CG 3.4Å; I185-L189 PolarHBondContact O-N 2.93Å; Q186-L189 PolarHBondContact O-N 3.19Å; L189-E191 PolarHBondContact O-N 3.02Å; L189-F192 PolarHBondContact O-N 3.3Å; L189-I198 HydrophobicContact CD2-CG2 3.72Å; L189-Y202 HydrophobicContact CB-CD2 3.86Å; L189-Y202 HydrophobicContact CB-CE2 4.29Å; L189-Y202 HydrophobicContact CB-CG 4.34Å; L189-Y202 HydrophobicContact CD1-CD2 3.45Å; L189-Y202 VanDerWaalsContact CD1-CD2 3.45Å; L189-Y202 HydrophobicContact CD1-CE2 4.23Å; L189-Y202 HydrophobicContact CD1-CG 4.26Å; L189-Y202 HydrophobicContact CG-CD2 4.28Å; L189-I205 HydrophobicContact CD1-CD1 3.9Å
190N92.9Very high92.5Very high73 Ų7357.9 Ų57.939%0.3930%0.3SS..G310 helixtrans-60.9-21.9172.8-79.9-33.5000114Q186 F188 F192 R193Q186-N190 WeakPolarHBondContact O-CB 3.49Å; Q186-N190 VanDerWaalsContact O-CG 3.25Å; Q186-N190 PolarHBondContact O-N 2.94Å; Q186-N190 PolarHBondContact O-ND2 3.26Å; Q186-N190 VanDerWaalsContact O-ND2 3.1Å; F188-N190 PolarHBondContact O-N 3.36Å; N190-F192 PolarHBondContact O-N 2.67Å; N190-R193 PolarHBondContact O-N 3.34Å
191E94.3Very high92Very high69 Ų6955.7 Ų55.732%0.32229%0.289SS..G310 helixtrans-65.5-23172.4-61.9-70110.600112V150 D151 K154 F188 L189V150-E191 HydrophobicContact CG1-CB 3.92Å; V150-E191 HydrophobicContact CG1-CG 3.84Å; D151-E191 PolarHBondContact N-OE2 3.48Å; K154-E191 HydrophobicContact CD-CG 3.81Å; K154-E191 IonicContact NZ-OE1 3.86Å; K154-E191 PolarHBondContact NZ-OE1 3.42Å; F188-E191 VanDerWaalsContact O-CB 3.24Å; F188-E191 WeakPolarHBondContact O-CB 3.34Å; F188-E191 WeakPolarHBondContact O-CG 3.39Å; F188-E191 PolarHBondContact O-N 2.94Å; L189-E191 PolarHBondContact O-N 3.02Å
192F92.9Very high91.6Very high5 Ų557.7 Ų57.72%0.02230%0.297CS..G310 helixtrans-109.319.1-176.2-54.2-80.8000113L32 F35 V150 F188 L189 N190 N194 I195 I198L32-F192 HydrophobicContact CD2-CZ 4.47Å; F35-F192 HydrophobicContact CD1-CD1 4.46Å; F35-F192 HydrophobicContact CD1-CE1 4.04Å; F35-F192 HydrophobicContact CE1-CD1 4.14Å; F35-F192 AromaticContact CE1-CE1 3.46Å; F35-F192 HydrophobicContact CE1-CE1 3.46Å; F35-F192 VanDerWaalsContact CE1-CE1 3.46Å; F35-F192 HydrophobicContact CE1-CZ 4.36Å; F35-F192 HydrophobicContact CZ-CD1 4.19Å; F35-F192 AromaticContact CZ-CE1 3.76Å; F35-F192 HydrophobicContact CZ-CE1 3.76Å; V150-F192 HydrophobicContact CG1-CZ 4.24Å; V150-F192 HydrophobicContact CG2-CE1 3.97Å; V150-F192 HydrophobicContact CG2-CZ 3.82Å; F188-F192 HydrophobicContact CD1-CE2 4.32Å; F188-F192 HydrophobicContact CD2-CE2 4.22Å; F188-F192 HydrophobicContact CE1-CD2 4.39Å; F188-F192 AromaticContact CE1-CE2 3.74Å; F188-F192 HydrophobicContact CE1-CE2 3.74Å; F188-F192 AromaticContact CE2-CE2 3.64Å; F188-F192 HydrophobicContact CE2-CE2 3.64Å; F188-F192 HydrophobicContact CE2-CZ 4.11Å; F188-F192 HydrophobicContact CZ-CD2 4.42Å; F188-F192 AromaticContact CZ-CE2 3.38Å; F188-F192 HydrophobicContact CZ-CE2 3.38Å; F188-F192 AromaticContact CZ-CZ 3.9Å; F188-F192 HydrophobicContact CZ-CZ 3.9Å; L189-F192 PolarHBondContact O-N 3.3Å; N190-F192 PolarHBondContact O-N 2.67Å; F192-N194 PolarHBondContact O-N 3.09Å; F192-I195 HydrophobicContact CB-CD1 4.33Å; F192-I195 HydrophobicContact CB-CG1 4.45Å; F192-I195 HydrophobicContact CD1-CD1 3.88Å; F192-I195 WeakPolarHBondContact O-CB 3.28Å; F192-I195 PolarHBondContact O-N 3.38Å; F192-I198 HydrophobicContact CB-CB 4.19Å; F192-I198 HydrophobicContact CB-CD1 3.78Å; F192-I198 HydrophobicContact CB-CG2 3.79Å; F192-I198 HydrophobicContact CD1-CD1 3.93Å; F192-I198 HydrophobicContact CG-CD1 3.84Å; F192-I198 HydrophobicContact CG-CG2 4.45Å
193R89.6Confident91.2Very high184 Ų18458.7 Ų58.769%0.69431%0.308SS*.THydrogen-bonded Turntrans-55.3-21.3-178.368.2-178.2-176.6179.8-1.7114.9N190 I195 V199N190-R193 PolarHBondContact O-N 3.34Å; R193-I195 VanDerWaalsContact C-N 3.34Å; R193-V199 WeakPolarHBondContact O-CG2 3.4Å
194N89.9Confident90.9Very high139 Ų13960.7 Ų60.774%0.74331%0.311SS*.THydrogen-bonded Turntrans-88.50.4178.7-62.3-27.7000113.1F192 P196F192-N194 PolarHBondContact O-N 3.09Å; N194-P196 WeakPolarHBondContact O-CD 3.43Å
195I90.4Very high90.5Very high31 Ų3158.4 Ų58.416%0.15930%0.301CS..  trans-108.6101.9-177.2-52.8-170.7000108.5F35 F192 R193 E197 I198 V199F35-I195 HydrophobicContact CD2-CD1 3.33Å; F35-I195 HydrophobicContact CE2-CD1 3.4Å; F35-I195 HydrophobicContact CG-CD1 4.13Å; F35-I195 HydrophobicContact CZ-CD1 4.27Å; F192-I195 HydrophobicContact CB-CD1 4.33Å; F192-I195 HydrophobicContact CB-CG1 4.45Å; F192-I195 HydrophobicContact CD1-CD1 3.88Å; F192-I195 WeakPolarHBondContact O-CB 3.28Å; F192-I195 PolarHBondContact O-N 3.38Å; R193-I195 VanDerWaalsContact C-N 3.34Å; I195-E197 VanDerWaalsContact C-N 3.27Å; I195-E197 PolarHBondContact O-N 3.03Å; I195-I198 HydrophobicContact CB-CB 4.31Å; I195-I198 HydrophobicContact CB-CD1 4.24Å; I195-I198 HydrophobicContact CB-CG1 4.35Å; I195-I198 HydrophobicContact CD1-CD1 4.14Å; I195-I198 HydrophobicContact CG2-CB 4.33Å; I195-I198 HydrophobicContact CG2-CD1 4.03Å; I195-I198 HydrophobicContact CG2-CG1 3.96Å; I195-I198 PolarHBondContact O-N 3.3Å; I195-V199 WeakPolarHBondContact O-CG2 3.43Å; I195-V199 PolarHBondContact O-N 3.32Å; I195-V199 VanDerWaalsContact O-N 3.07Å
196P88.3Confident90.1Very high105 Ų10562 Ų6268%0.68232%0.318SS*.Hα-helixtrans-56.6-38.4-170.9-27.435.3000114.1N194 I198 V199 A200N194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-I198 VanDerWaalsContact C-N 3.33Å; P196-I198 PolarHBondContact O-N 3.45Å; P196-V199 PolarHBondContact O-N 3.4Å; P196-A200 PolarHBondContact O-N 2.88Å
197E87.8Confident89.7Confident101 Ų10165.1 Ų65.147%0.47233%0.332SS..Hα-helixtrans-62.5-39.5-179.9-60.9154.916900111.8R38 I195R38-E197 IonicContact CZ-OE1 3.62Å; R38-E197 IonicContact CZ-OE2 3.06Å; R38-E197 IonicContact NH1-OE1 3.62Å; R38-E197 PolarHBondContact NH1-OE1 3.3Å; R38-E197 VanDerWaalsContact NH1-OE1 3.08Å; R38-E197 IonicContact NH1-OE2 3.62Å; R38-E197 PolarHBondContact NH1-OE2 3.36Å; R38-E197 IonicContact NH2-OE2 2.77Å; R38-E197 PolarHBondContact NH2-OE2 2.9Å; I195-E197 VanDerWaalsContact C-N 3.27Å; I195-E197 PolarHBondContact O-N 3.03Å
198I90.4Very high89.4Confident1 Ų161.4 Ų61.41%0.00531%0.312CS..Hα-helixtrans-74.6-38.3177.7-64.6178.3000110.3C31 L32 F35 L189 F192 I195 P196 A200 V201 Y202C31-I198 HydrophobicContact CB-CG1 4.19Å; L32-I198 HydrophobicContact CD2-CD1 4.39Å; F35-I198 HydrophobicContact CB-CD1 3.97Å; F35-I198 HydrophobicContact CG-CD1 4.19Å; L189-I198 HydrophobicContact CD2-CG2 3.72Å; F192-I198 HydrophobicContact CB-CB 4.19Å; F192-I198 HydrophobicContact CB-CD1 3.78Å; F192-I198 HydrophobicContact CB-CG2 3.79Å; F192-I198 HydrophobicContact CD1-CD1 3.93Å; F192-I198 HydrophobicContact CG-CD1 3.84Å; F192-I198 HydrophobicContact CG-CG2 4.45Å; I195-I198 HydrophobicContact CB-CB 4.31Å; I195-I198 HydrophobicContact CB-CD1 4.24Å; I195-I198 HydrophobicContact CB-CG1 4.35Å; I195-I198 HydrophobicContact CD1-CD1 4.14Å; I195-I198 HydrophobicContact CG2-CB 4.33Å; I195-I198 HydrophobicContact CG2-CD1 4.03Å; I195-I198 HydrophobicContact CG2-CG1 3.96Å; I195-I198 PolarHBondContact O-N 3.3Å; P196-I198 VanDerWaalsContact C-N 3.33Å; P196-I198 PolarHBondContact O-N 3.45Å; I198-A200 VanDerWaalsContact C-N 3.32Å; I198-A200 PolarHBondContact O-N 3.27Å; I198-V201 PolarHBondContact O-N 2.93Å; I198-Y202 WeakPolarHBondContact O-CB 3.4Å; I198-Y202 PolarHBondContact O-N 2.76Å
199V88.7Confident88.8Confident55 Ų5561.9 Ų61.933%0.33332%0.315SS..Hα-helixtrans-61-40176.6173.70000111.7R193 I195 P196 V201 Y202 S203R193-V199 WeakPolarHBondContact O-CG2 3.4Å; I195-V199 WeakPolarHBondContact O-CG2 3.43Å; I195-V199 PolarHBondContact O-N 3.32Å; I195-V199 VanDerWaalsContact O-N 3.07Å; P196-V199 PolarHBondContact O-N 3.4Å; V199-V201 VanDerWaalsContact C-N 3.33Å; V199-V201 PolarHBondContact O-N 3.36Å; V199-Y202 WeakPolarHBondContact O-CB 3.39Å; V199-Y202 PolarHBondContact O-N 2.69Å; V199-S203 PolarHBondContact O-N 2.75Å
200A88Confident88.3Confident69 Ų6965.9 Ų65.957%0.5734%0.34SS*.Hα-helixtrans-61.7-41176.700000112.3P196 I198P196-A200 PolarHBondContact O-N 2.88Å; I198-A200 VanDerWaalsContact C-N 3.32Å; I198-A200 PolarHBondContact O-N 3.27Å
201V87.2Confident87.6Confident32 Ų3263.5 Ų63.519%0.19433%0.329CS..Hα-helixtrans-73.1-32.8176.7178.60000111.5L27 C31 I198 V199 S203 R204 I205L27-V201 HydrophobicContact CB-CG1 4.02Å; C31-V201 HydrophobicContact CB-CB 3.78Å; C31-V201 HydrophobicContact CB-CG1 3.93Å; C31-V201 HydrophobicContact CB-CG2 3.79Å; I198-V201 PolarHBondContact O-N 2.93Å; V199-V201 VanDerWaalsContact C-N 3.33Å; V199-V201 PolarHBondContact O-N 3.36Å; V201-S203 PolarHBondContact O-N 3.23Å; V201-R204 WeakPolarHBondContact O-CB 3.22Å; V201-R204 PolarHBondContact O-N 3.5Å; V201-R204 VanDerWaalsContact O-N 3.14Å; V201-I205 HydrophobicContact CG1-CD1 3.93Å; V201-I205 HydrophobicContact CG1-CG1 4.25Å; V201-I205 WeakPolarHBondContact O-CG1 3.34Å; V201-I205 PolarHBondContact O-N 2.75Å
202Y87.1Confident86.2Confident44 Ų4467.3 Ų67.317%0.17335%0.351CS..Hα-helixtrans-56.5-47.4175.6173.1-126.6000112.2Q186 L189 I198 V199 R204 I205 E206Q186-Y202 HydrophobicContact CB-CE2 4.36Å; Q186-Y202 HydrophobicContact CG-CE2 3.89Å; L189-Y202 HydrophobicContact CB-CD2 3.86Å; L189-Y202 HydrophobicContact CB-CE2 4.29Å; L189-Y202 HydrophobicContact CB-CG 4.34Å; L189-Y202 HydrophobicContact CD1-CD2 3.45Å; L189-Y202 VanDerWaalsContact CD1-CD2 3.45Å; L189-Y202 HydrophobicContact CD1-CE2 4.23Å; L189-Y202 HydrophobicContact CD1-CG 4.26Å; L189-Y202 HydrophobicContact CG-CD2 4.28Å; I198-Y202 WeakPolarHBondContact O-CB 3.4Å; I198-Y202 PolarHBondContact O-N 2.76Å; V199-Y202 WeakPolarHBondContact O-CB 3.39Å; V199-Y202 PolarHBondContact O-N 2.69Å; Y202-R204 VanDerWaalsContact C-N 3.27Å; Y202-R204 PolarHBondContact O-N 2.84Å; Y202-I205 WeakPolarHBondContact O-CB 3.38Å; Y202-I205 PolarHBondContact O-N 3.22Å; Y202-I205 VanDerWaalsContact O-N 3.14Å; Y202-E206 PolarHBondContact O-N 2.74Å
203S85.4Confident84.9Confident55 Ų5567.5 Ų67.539%0.38535%0.352SS..Hα-helixtrans-60.2-37.9176.5-59.30000112.6V199 V201 E206 Q207V199-S203 PolarHBondContact O-N 2.75Å; V201-S203 PolarHBondContact O-N 3.23Å; S203-E206 PolarHBondContact O-N 3.35Å; S203-Q207 WeakPolarHBondContact O-CG 3.3Å; S203-Q207 PolarHBondContact O-N 3.03Å
204R87.6Confident83.3Confident130 Ų13061.5 Ų61.549%0.49134%0.342SS..Hα-helixtrans-67.7-39.2175.8-173.7176.2178.7-179.9-1.8112.1L27 V201 Y202 L208L27-R204 HydrophobicContact CD1-CG 4.27Å; V201-R204 WeakPolarHBondContact O-CB 3.22Å; V201-R204 PolarHBondContact O-N 3.5Å; V201-R204 VanDerWaalsContact O-N 3.14Å; Y202-R204 VanDerWaalsContact C-N 3.27Å; Y202-R204 PolarHBondContact O-N 2.84Å; R204-L208 VanDerWaalsContact O-CB 3.31Å; R204-L208 WeakPolarHBondContact O-CB 3.45Å; R204-L208 PolarHBondContact O-N 3.47Å
205I88.8Confident81.6Confident3 Ų356.4 Ų56.42%0.01532%0.316CS..Hα-helixtrans-64.1-42.4175.1-74.8171.1000110.7C24 L27 I185 L189 V201 Y202 L208 L209C24-I205 WeakPolarHBondContact SG-CG2 3.35Å; L27-I205 HydrophobicContact CB-CD1 4.05Å; L27-I205 HydrophobicContact CB-CG1 3.87Å; L27-I205 HydrophobicContact CD1-CG1 3.93Å; I185-I205 HydrophobicContact CG2-CG2 3.98Å; L189-I205 HydrophobicContact CD1-CD1 3.9Å; V201-I205 HydrophobicContact CG1-CD1 3.93Å; V201-I205 HydrophobicContact CG1-CG1 4.25Å; V201-I205 WeakPolarHBondContact O-CG1 3.34Å; V201-I205 PolarHBondContact O-N 2.75Å; Y202-I205 WeakPolarHBondContact O-CB 3.38Å; Y202-I205 PolarHBondContact O-N 3.22Å; Y202-I205 VanDerWaalsContact O-N 3.14Å; I205-L208 WeakPolarHBondContact O-CB 3.47Å; I205-L208 PolarHBondContact O-N 3.42Å; I205-L209 HydrophobicContact CG2-CD1 3.82Å; I205-L209 HydrophobicContact CG2-CG 4.39Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 3.29Å
206E85.8Confident79.5Confident76 Ų7660.1 Ų60.136%0.35533%0.332SS..Hα-helixtrans-63.2-46178-175.8168.4-125.900111.5Q186 Y202 S203 L208 L209 T210Q186-E206 PolarHBondContact NE2-OE1 2.66Å; Y202-E206 PolarHBondContact O-N 2.74Å; S203-E206 PolarHBondContact O-N 3.35Å; E206-L208 VanDerWaalsContact C-N 3.3Å; E206-L208 PolarHBondContact O-N 3.34Å; E206-L209 PolarHBondContact O-N 3.04Å; E206-T210 WeakPolarHBondContact O-CB 3.38Å; E206-T210 WeakPolarHBondContact O-CG2 3.38Å; E206-T210 PolarHBondContact O-N 3.42Å; E206-T210 VanDerWaalsContact O-N 3.09Å; E206-T210 PolarHBondContact O-OG1 3.32Å
207Q85.3Confident77.8Confident106 Ų10658.8 Ų58.850%0.49532%0.318SS..Hα-helixtrans-58-43.6172.6-72.9173-8.900111.5S203 L209 T210 S211S203-Q207 WeakPolarHBondContact O-CG 3.3Å; S203-Q207 PolarHBondContact O-N 3.03Å; Q207-L209 PolarHBondContact O-N 3.36Å; Q207-T210 PolarHBondContact O-N 3.11Å; Q207-T210 PolarHBondContact O-OG1 3.34Å; Q207-S211 VanDerWaalsContact O-CB 3.27Å; Q207-S211 WeakPolarHBondContact O-CB 3.35Å; Q207-S211 PolarHBondContact O-N 3.02Å; Q207-S211 PolarHBondContact O-OG 2.74Å
208L87.7Confident75.9Confident6 Ų658.3 Ų58.33%0.03132%0.324CS..Hα-helixtrans-60.8-46.7-179.5-176.374.8000112.8H23 C24 L27 R204 I205 E206 W213H23-L208 HydrophobicContact CB-CD2 3.92Å; H23-L208 WeakPolarHBondContact ND1-CD1 3.27Å; C24-L208 HydrophobicContact CB-CD2 4.21Å; L27-L208 HydrophobicContact CD1-CD2 3.99Å; R204-L208 VanDerWaalsContact O-CB 3.31Å; R204-L208 WeakPolarHBondContact O-CB 3.45Å; R204-L208 PolarHBondContact O-N 3.47Å; I205-L208 WeakPolarHBondContact O-CB 3.47Å; I205-L208 PolarHBondContact O-N 3.42Å; E206-L208 VanDerWaalsContact C-N 3.3Å; E206-L208 PolarHBondContact O-N 3.34Å; L208-W213 HydrophobicContact CD1-CZ2 3.74Å
209L84.3Confident74Confident11 Ų1165.8 Ų65.86%0.05836%0.359CS..Hα-helixtrans-76.5-24.4-175.1-67.7174.8000112.7C24 L178 F181 Q182 I205 E206 Q207C24-L209 HydrophobicContact CB-CD2 4.17Å; L178-L209 HydrophobicContact CD1-CD2 4.03Å; F181-L209 HydrophobicContact CD1-CD2 4.21Å; F181-L209 HydrophobicContact CE1-CD1 4.34Å; F181-L209 HydrophobicContact CE1-CD2 4.05Å; Q182-L209 HydrophobicContact CB-CD1 3.94Å; Q182-L209 HydrophobicContact CG-CB 4.18Å; Q182-L209 HydrophobicContact CG-CD1 3.87Å; I205-L209 HydrophobicContact CG2-CD1 3.82Å; I205-L209 HydrophobicContact CG2-CG 4.39Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 3.29Å; E206-L209 PolarHBondContact O-N 3.04Å; Q207-L209 PolarHBondContact O-N 3.36Å
210T80.9Confident72Confident88 Ų8871.8 Ų71.854%0.5438%0.384SS..Hα-helixtrans-90.9-18.5176.754.50000113.6E206 Q207E206-T210 WeakPolarHBondContact O-CB 3.38Å; E206-T210 WeakPolarHBondContact O-CG2 3.38Å; E206-T210 PolarHBondContact O-N 3.42Å; E206-T210 VanDerWaalsContact O-N 3.09Å; E206-T210 PolarHBondContact O-OG1 3.32Å; Q207-T210 PolarHBondContact O-N 3.11Å; Q207-T210 PolarHBondContact O-OG1 3.34Å
211S78.5Confident69.9Low24 Ų2475.8 Ų75.817%0.16840%0.395CS..SBendtrans-71.5145.8178.3-67.70000112.3K20 Q207 W213K20-S211 WeakPolarHBondContact CE-O 3.47Å; K20-S211 PolarHBondContact NZ-O 3.06Å; Q207-S211 VanDerWaalsContact O-CB 3.27Å; Q207-S211 WeakPolarHBondContact O-CB 3.35Å; Q207-S211 PolarHBondContact O-N 3.02Å; Q207-S211 PolarHBondContact O-OG 2.74Å; S211-W213 PolarHBondContact O-N 3.49Å
212D66.6Low67.7Low148 Ų14883.4 Ų83.479%0.79143%0.429SS*.  trans-72.4-8.3175.4-77.6-33000114.1K20K20-D212 PolarHBondContact NZ-O 3.08Å
213W64Low65.7Low9 Ų992 Ų923%0.03446%0.461CS..  trans50.156.9-174.3-8943.9000111.6V19 K20 H23 L208 S211 V215 L234 V239 I242V19-W213 HydrophobicContact CB-CH2 4.2Å; V19-W213 HydrophobicContact CB-CZ3 4.05Å; V19-W213 HydrophobicContact CG1-CH2 3.5Å; V19-W213 VanDerWaalsContact CG1-CH2 3.5Å; V19-W213 HydrophobicContact CG1-CZ3 3.56Å; K20-W213 HydrophobicContact CD-CD2 4.49Å; K20-W213 HydrophobicContact CD-CG 4.18Å; K20-W213 HydrophobicContact CG-CD2 3.71Å; K20-W213 VanDerWaalsContact CG-CE2 3.49Å; K20-W213 HydrophobicContact CG-CE3 4.36Å; K20-W213 HydrophobicContact CG-CG 3.9Å; K20-W213 HydrophobicContact CG-CZ2 3.96Å; H23-W213 HydrophobicContact CB-CH2 4.45Å; H23-W213 HydrophobicContact CB-CZ2 4.21Å; H23-W213 AromaticContact ND1-CZ2 3.68Å; L208-W213 HydrophobicContact CD1-CZ2 3.74Å; S211-W213 PolarHBondContact O-N 3.49Å; W213-V215 PolarHBondContact O-N 2.99Å; W213-L234 HydrophobicContact CD2-CD1 4.3Å; W213-L234 HydrophobicContact CH2-CD1 3.78Å; W213-L234 HydrophobicContact CZ2-CD1 3.59Å; W213-L234 HydrophobicContact CZ3-CD1 4.25Å; W213-V239 HydrophobicContact CZ3-CG1 4.23Å; W213-V239 HydrophobicContact CZ3-CG2 4.24Å; W213-I242 HydrophobicContact CH2-CD1 4.22Å
214A57.2Low63.7Low59 Ų5997.4 Ų97.449%0.48849%0.486SS..  trans-68.3116.216000000107.7Y233A214-Y233 HydrophobicContact CB-CE1 4.09Å; A214-Y233 WeakPolarHBondContact O-CD1 3.41Å
215V53.7Low61.4Low31 Ų3194.7 Ų94.719%0.18850%0.498CS..  trans-87.2123.9173.4173.70000107.7L10 W213 I217 V239L10-V215 HydrophobicContact CD1-CB 3.95Å; L10-V215 HydrophobicContact CD1-CG1 4.25Å; L10-V215 HydrophobicContact CD1-CG2 3.44Å; L10-V215 VanDerWaalsContact CD1-CG2 3.44Å; W213-V215 PolarHBondContact O-N 2.99Å; V215-I217 HydrophobicContact CG1-CG1 4.49Å; V215-I217 PolarHBondContact O-N 3.5Å; V215-V239 HydrophobicContact CG2-CG2 4.15Å
216H47.2Very low58.9Low110 Ų110100.3 Ų100.351%0.50954%0.536SS..  trans-74.2105.6176.7-180-73.7000108.8P218 Y233H216-P218 WeakPolarHBondContact O-CD 3.38Å; H216-Y233 HydrophobicContact CB-CD1 4.19Å
217I51.9Low56.8Low76 Ų76105.5 Ų105.539%0.3956%0.56SS.*  trans-92.1110.2173.6-60.4175.6000107.3L3 A7 V215 E219L3-I217 HydrophobicContact CD2-CG2 4.36Å; A7-I217 HydrophobicContact CB-CD1 3.83Å; V215-I217 HydrophobicContact CG1-CG1 4.49Å; V215-I217 PolarHBondContact O-N 3.5Å; I217-E219 PolarHBondContact O-N 3.31Å
218P47.5Very low54.3Low91 Ų91105.2 Ų105.259%0.59157%0.569SS**THydrogen-bonded Turntrans-70.313.6-167.2-19.232.4000117.7H216H216-P218 WeakPolarHBondContact O-CD 3.38Å
219E49.9Very low51.9Low159 Ų159113.2 Ų113.274%0.74361%0.606SS**THydrogen-bonded Turntrans-118.5-1.7-169.8-71.7-170.8158.300117I217I217-E219 PolarHBondContact O-N 3.31Å
220E47.6Very low49.7Very low181 Ų181119.8 Ų119.885%0.84665%0.647SS**THydrogen-bonded Turntrans-135.1-14.4178.6-74.4-169.9157.300118Q222E220-Q222 PolarHBondContact O-N 3.38Å
221D43.3Very low48.2Very low152 Ų152117.2 Ų117.281%0.81364%0.637SS**  trans-92.184.2179.5-73.9-24.9000111.9R223D221-R223 PolarHBondContact O-N 3.42Å
222Q41.3Very low47.1Very low193 Ų193118.9 Ų118.990%0.90265%0.647SS**  trans-62.2117.3157-78.8-177.41400108.4E220 D224E220-Q222 PolarHBondContact O-N 3.38Å; Q222-D224 PolarHBondContact O-N 3.22Å
223R44.5Very low46.9Very low224 Ų224118.2 Ų118.285%0.84563%0.634SS**  trans-56.8106.9174.5-82.8-178.3178.2-161.7-3.5110.7D221D221-R223 PolarHBondContact O-N 3.42Å
224D44.2Very low47.4Very low169 Ų169118.3 Ų118.390%0.90464%0.635SS**  trans-122.2105.5146.1-100.2-14.6000108.4Q222Q222-D224 PolarHBondContact O-N 3.22Å
225G40.1Very low48.5Very low72 Ų72117.8 Ų117.874%0.74263%0.628SS**SBendtrans112.3116.4158.600000117.5
226C35Very low49.8Very low122 Ų122118.9 Ų118.982%0.82463%0.631SS**  trans60.4110.2153.9-147.20000118C228C226-C228 VanDerWaalsContact C-N 3.28Å; C226-C228 PolarHBondContact O-N 3.5Å
227E41.3Very low51.5Low185 Ų185117.6 Ų117.686%0.86463%0.634SS**  trans-60.786.6165.4-65.7-179.7157.800110.1
228C34.5Very low53.1Low99 Ų99117.5 Ų117.567%0.66963%0.632SS**  trans-90.4118.1170.2-164.20000108.8C226C226-C228 VanDerWaalsContact C-N 3.28Å; C226-C228 PolarHBondContact O-N 3.5Å
229E37.2Very low55.1Low174 Ų174113.2 Ų113.281%0.81360%0.604SS**  trans29.1114.2162.8-63.6-176.6170.700117.7G231E229-G231 VanDerWaalsContact C-N 3.26Å; E229-G231 PolarHBondContact O-N 2.93Å
230T38.3Very low56.9Low150 Ų150107.6 Ų107.692%0.9258%0.579SS**  trans-4376.8172.1-45.40000114
231G47.7Very low59Low33 Ų33104.3 Ų104.334%0.3456%0.564SS.*  trans-63.2143.4165.200000109E229 Y233E229-G231 VanDerWaalsContact C-N 3.26Å; E229-G231 PolarHBondContact O-N 2.93Å; G231-Y233 WeakPolarHBondContact O-CD2 3.27Å; G231-Y233 PolarHBondContact O-N 3.3Å
232T56.2Low61.4Low59 Ų5997.7 Ų97.736%0.36253%0.528SS..  trans-71.684.1171.6-57.50000108.1L234T232-L234 PolarHBondContact O-N 3.16Å
233Y62.8Low63.9Low134 Ų13488.5 Ų88.553%0.52549%0.485SS..  trans-71.1114175.2-66.5-82000108.8A214 H216 G231A214-Y233 HydrophobicContact CB-CE1 4.09Å; A214-Y233 WeakPolarHBondContact O-CD1 3.41Å; H216-Y233 HydrophobicContact CB-CD1 4.19Å; G231-Y233 WeakPolarHBondContact O-CD2 3.27Å; G231-Y233 PolarHBondContact O-N 3.3Å
234L74.2Confident66.2Low12 Ų1279.6 Ų79.66%0.06345%0.454CS..  trans-85.4136.3168-67.3174.7000108.9W213 T232 Q238 V239 I242W213-L234 HydrophobicContact CD2-CD1 4.3Å; W213-L234 HydrophobicContact CH2-CD1 3.78Å; W213-L234 HydrophobicContact CZ2-CD1 3.59Å; W213-L234 HydrophobicContact CZ3-CD1 4.25Å; T232-L234 PolarHBondContact O-N 3.16Å; L234-Q238 HydrophobicContact CB-CB 4.48Å; L234-Q238 HydrophobicContact CD2-CB 4.38Å; L234-V239 HydrophobicContact CB-CG2 3.9Å; L234-V239 HydrophobicContact CD1-CG2 4.4Å; L234-I242 HydrophobicContact CD1-CD1 4.17Å
235S80.3Confident68.6Low47 Ų4774.4 Ų74.433%0.32942%0.424SS..  trans-69.4155.9170.359.30000111.1S237 Q238 V239S235-S237 VanDerWaalsContact C-N 3.26Å; S235-S237 PolarHBondContact O-N 3.24Å; S235-S237 PolarHBondContact OG-OG 3.28Å; S235-Q238 WeakPolarHBondContact O-CB 3.44Å; S235-Q238 PolarHBondContact O-N 3.44Å; S235-Q238 VanDerWaalsContact OG-CD 3.26Å; S235-Q238 WeakPolarHBondContact OG-CG 3.4Å; S235-Q238 PolarHBondContact OG-N 3.43Å; S235-Q238 PolarHBondContact OG-OE1 3.22Å; S235-V239 PolarHBondContact O-N 2.63Å; S235-V239 VanDerWaalsContact O-N 3.11Å
236E80.3Confident71.2Confident55 Ų5571 Ų7126%0.25739%0.389SS..Hα-helixtrans-48-49.1172.5-178.9-169.5-172.500111.9V2 L3 L6 Q238 V239 N240V2-E236 WeakPolarHBondContact CG1-OE1 3.48Å; L3-E236 HydrophobicContact CD2-CG 4.16Å; L3-E236 WeakPolarHBondContact CD2-OE1 3.5Å; L3-E236 WeakPolarHBondContact CD2-OE2 3.44Å; L3-E236 WeakPolarHBondContact CG-OE1 3.13Å; L6-E236 HydrophobicContact CD2-CB 4.23Å; L6-E236 HydrophobicContact CD2-CG 3.57Å; E236-Q238 VanDerWaalsContact C-N 3.29Å; E236-Q238 PolarHBondContact O-N 2.98Å; E236-V239 PolarHBondContact O-N 2.7Å; E236-V239 VanDerWaalsContact O-N 3.17Å; E236-N240 WeakPolarHBondContact O-CB 3.38Å; E236-N240 PolarHBondContact O-N 2.81Å
237S83.3Confident74.1Confident82 Ų8265.1 Ų65.157%0.57335%0.349SS*.Hα-helixtrans-61.1-36.3-179.752.50000112.9S235 E241S235-S237 VanDerWaalsContact C-N 3.26Å; S235-S237 PolarHBondContact O-N 3.24Å; S235-S237 PolarHBondContact OG-OG 3.28Å; S237-E241 WeakPolarHBondContact O-CB 3.38Å; S237-E241 PolarHBondContact O-N 2.71Å
238Q86.9Confident76.6Confident75 Ų7561.6 Ų61.635%0.3533%0.331SS..Hα-helixtrans-69.5-40.7177.2-75.3168.2-4700111.5L234 S235 E236 E241 I242L234-Q238 HydrophobicContact CB-CB 4.48Å; L234-Q238 HydrophobicContact CD2-CB 4.38Å; S235-Q238 WeakPolarHBondContact O-CB 3.44Å; S235-Q238 PolarHBondContact O-N 3.44Å; S235-Q238 VanDerWaalsContact OG-CD 3.26Å; S235-Q238 WeakPolarHBondContact OG-CG 3.4Å; S235-Q238 PolarHBondContact OG-N 3.43Å; S235-Q238 PolarHBondContact OG-OE1 3.22Å; E236-Q238 VanDerWaalsContact C-N 3.29Å; E236-Q238 PolarHBondContact O-N 2.98Å; Q238-E241 PolarHBondContact O-N 3.44Å; Q238-I242 WeakPolarHBondContact O-CD1 3.39Å; Q238-I242 WeakPolarHBondContact O-CG1 3.48Å; Q238-I242 PolarHBondContact O-N 3.04Å
239V88Confident79.4Confident0 Ų058.1 Ų58.10%031%0.305CS..Hα-helixtrans-66-44.6177.1-178.80000110.5L6 L10 W213 V215 L234 S235 E236 E241 I242 E243L6-V239 HydrophobicContact CD1-CG1 3.82Å; L6-V239 HydrophobicContact CD2-CB 4.41Å; L10-V239 HydrophobicContact CD1-CG1 4.49Å; L10-V239 HydrophobicContact CD2-CG1 4.37Å; W213-V239 HydrophobicContact CZ3-CG1 4.23Å; W213-V239 HydrophobicContact CZ3-CG2 4.24Å; V215-V239 HydrophobicContact CG2-CG2 4.15Å; L234-V239 HydrophobicContact CB-CG2 3.9Å; L234-V239 HydrophobicContact CD1-CG2 4.4Å; S235-V239 PolarHBondContact O-N 2.63Å; S235-V239 VanDerWaalsContact O-N 3.11Å; E236-V239 PolarHBondContact O-N 2.7Å; E236-V239 VanDerWaalsContact O-N 3.17Å; V239-E241 VanDerWaalsContact C-N 3.33Å; V239-E241 PolarHBondContact O-N 2.96Å; V239-I242 WeakPolarHBondContact O-CB 3.48Å; V239-I242 PolarHBondContact O-N 3.48Å; V239-I242 VanDerWaalsContact O-N 3.16Å; V239-E243 HydrophobicContact CG1-CG 4.4Å; V239-E243 WeakPolarHBondContact O-CG 3.1Å; V239-E243 PolarHBondContact O-N 3.4Å
240N89Confident82.1Confident41 Ų4149.9 Ų49.922%0.21927%0.266CS..Hα-helixtrans-60.6-41.5176.3-177-92.3000111.9E236 I242 E243 M244 D284E236-N240 WeakPolarHBondContact O-CB 3.38Å; E236-N240 PolarHBondContact O-N 2.81Å; N240-I242 VanDerWaalsContact C-N 3.34Å; N240-I242 PolarHBondContact O-N 3.09Å; N240-E243 PolarHBondContact O-N 3.24Å; N240-M244 VanDerWaalsContact O-CB 3.28Å; N240-M244 WeakPolarHBondContact O-CB 3.22Å; N240-M244 PolarHBondContact O-N 3.05Å; N240-D284 PolarHBondContact ND2-OD2 3.5Å
241E91.5Very high84.7Confident113 Ų11342.8 Ų42.853%0.52822%0.223SC..Hα-helixtrans-61.5-41.4174.9-175.3177.7-173.200112S237 Q238 V239 M244 Q245S237-E241 WeakPolarHBondContact O-CB 3.38Å; S237-E241 PolarHBondContact O-N 2.71Å; Q238-E241 PolarHBondContact O-N 3.44Å; V239-E241 VanDerWaalsContact C-N 3.33Å; V239-E241 PolarHBondContact O-N 2.96Å; E241-M244 PolarHBondContact O-N 3.17Å; E241-Q245 WeakPolarHBondContact O-CG 3.31Å; E241-Q245 PolarHBondContact O-N 3.47Å
242I92.8Very high86.8Confident12 Ų1245.1 Ų45.16%0.06223%0.225CC..Hα-helixtrans-62.7-51.2175.4-68159.4000110.3V19 H23 L26 W213 L234 Q238 V239 N240 M244 Q245 L246V19-I242 HydrophobicContact CG1-CB 4.48Å; V19-I242 HydrophobicContact CG1-CG2 3.65Å; H23-I242 HydrophobicContact CB-CD1 4.13Å; H23-I242 HydrophobicContact CB-CG1 4.45Å; H23-I242 HydrophobicContact CB-CG2 3.85Å; H23-I242 WeakPolarHBondContact ND1-CD1 3.46Å; L26-I242 HydrophobicContact CD1-CG2 4.28Å; W213-I242 HydrophobicContact CH2-CD1 4.22Å; L234-I242 HydrophobicContact CD1-CD1 4.17Å; Q238-I242 WeakPolarHBondContact O-CD1 3.39Å; Q238-I242 WeakPolarHBondContact O-CG1 3.48Å; Q238-I242 PolarHBondContact O-N 3.04Å; V239-I242 WeakPolarHBondContact O-CB 3.48Å; V239-I242 PolarHBondContact O-N 3.48Å; V239-I242 VanDerWaalsContact O-N 3.16Å; N240-I242 VanDerWaalsContact C-N 3.34Å; N240-I242 PolarHBondContact O-N 3.09Å; I242-M244 VanDerWaalsContact C-N 3.28Å; I242-M244 PolarHBondContact O-N 3.48Å; I242-Q245 PolarHBondContact O-N 2.96Å; I242-L246 HydrophobicContact CG2-CD1 3.83Å; I242-L246 HydrophobicContact CG2-CG 4.31Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.13Å; I242-L246 PolarHBondContact O-N 3.31Å
243E93.7Very high88.4Confident0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-55.3-45.8178.3-71.7174.6134.300110.9L6 R9 Y15 V19 V239 N240 L246 L247 L285L6-E243 WeakPolarHBondContact CD1-OE2 2.98Å; R9-E243 IonicContact CZ-OE1 2.68Å; R9-E243 IonicContact CZ-OE2 3.14Å; R9-E243 IonicContact NE-OE1 2.8Å; R9-E243 PolarHBondContact NE-OE1 2.92Å; R9-E243 IonicContact NE-OE2 3.42Å; R9-E243 IonicContact NH2-OE1 2.74Å; R9-E243 PolarHBondContact NH2-OE1 3.33Å; R9-E243 IonicContact NH2-OE2 2.67Å; R9-E243 PolarHBondContact NH2-OE2 2.91Å; Y15-E243 VanDerWaalsContact CE1-OE1 3.31Å; Y15-E243 WeakPolarHBondContact CE1-OE1 3.37Å; Y15-E243 PolarHBondContact OH-OE1 3.41Å; V19-E243 HydrophobicContact CG1-CG 4.41Å; V19-E243 HydrophobicContact CG2-CG 4.27Å; V239-E243 HydrophobicContact CG1-CG 4.4Å; V239-E243 WeakPolarHBondContact O-CG 3.1Å; V239-E243 PolarHBondContact O-N 3.4Å; N240-E243 PolarHBondContact O-N 3.24Å; E243-L246 PolarHBondContact O-N 3.38Å; E243-L247 WeakPolarHBondContact O-CB 3.42Å; E243-L247 VanDerWaalsContact O-CG 3.3Å; E243-L247 WeakPolarHBondContact O-CG 2.92Å; E243-L247 PolarHBondContact O-N 3.21Å; E243-L285 HydrophobicContact CB-CD1 4.24Å; E243-L285 HydrophobicContact CB-CD2 3.69Å
244M93.6Very high89.7Confident38 Ų3837.1 Ų37.119%0.18719%0.188CC..Hα-helixtrans-59.1-48.2177.8-170.667.765.500111.9N240 E241 I242 K248 L285 L289N240-M244 VanDerWaalsContact O-CB 3.28Å; N240-M244 WeakPolarHBondContact O-CB 3.22Å; N240-M244 PolarHBondContact O-N 3.05Å; E241-M244 PolarHBondContact O-N 3.17Å; I242-M244 VanDerWaalsContact C-N 3.28Å; I242-M244 PolarHBondContact O-N 3.48Å; M244-K248 VanDerWaalsContact O-CB 3.29Å; M244-K248 WeakPolarHBondContact O-CB 3.5Å; M244-K248 PolarHBondContact O-N 3.44Å; M244-L285 HydrophobicContact CE-CD2 4.16Å; M244-L289 HydrophobicContact SD-CD1 4.04Å; M244-L289 HydrophobicContact SD-CD2 3.74Å; M244-L289 HydrophobicContact SD-CG 3.52Å; M244-L289 VanDerWaalsContact SD-CG 3.52Å
245Q94.5Very high90.5Very high59 Ų5939.6 Ų39.628%0.27620%0.197SC..Hα-helixtrans-63.4-43.2178.7-73.4-170.427.200111.9L26 R29 E241 I242 K248 E249L26-Q245 HydrophobicContact CD1-CB 3.95Å; L26-Q245 HydrophobicContact CD2-CB 4.32Å; R29-Q245 VanDerWaalsContact NH2-OE1 3.15Å; E241-Q245 WeakPolarHBondContact O-CG 3.31Å; E241-Q245 PolarHBondContact O-N 3.47Å; I242-Q245 PolarHBondContact O-N 2.96Å; Q245-K248 PolarHBondContact O-N 3.18Å; Q245-E249 PolarHBondContact O-N 3.19Å
246L94.8Very high90.9Very high0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-65.5-43.6179.9-66.4174.8000112.3W18 L26 M166 I242 E243 K248 E249 K250W18-L246 HydrophobicContact CE3-CD1 4.37Å; W18-L246 HydrophobicContact CH2-CB 3.56Å; W18-L246 HydrophobicContact CH2-CD1 4.02Å; W18-L246 HydrophobicContact CH2-CG 4.44Å; W18-L246 HydrophobicContact CZ2-CB 4.15Å; W18-L246 HydrophobicContact CZ3-CB 4.2Å; W18-L246 HydrophobicContact CZ3-CD1 3.9Å; L26-L246 HydrophobicContact CD1-CD2 4.17Å; L26-L246 HydrophobicContact CD1-CG 4.35Å; L26-L246 HydrophobicContact CG-CD2 4.17Å; M166-L246 HydrophobicContact CE-CD2 4.05Å; I242-L246 HydrophobicContact CG2-CD1 3.83Å; I242-L246 HydrophobicContact CG2-CG 4.31Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.13Å; I242-L246 PolarHBondContact O-N 3.31Å; E243-L246 PolarHBondContact O-N 3.38Å; L246-K248 VanDerWaalsContact C-N 3.34Å; L246-E249 PolarHBondContact O-N 3.43Å; L246-K250 WeakPolarHBondContact O-CB 3.36Å; L246-K250 PolarHBondContact O-N 2.89Å
247L94.9Very high91.2Very high0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-66.9-37.7177.8-72166.6000111.4W18 M171 E243 K250 L251 F278 L279 L285 L289W18-L247 HydrophobicContact CH2-CD2 4.34Å; W18-L247 HydrophobicContact CH2-CG 4.4Å; M171-L247 HydrophobicContact CG-CD2 4.41Å; E243-L247 WeakPolarHBondContact O-CB 3.42Å; E243-L247 VanDerWaalsContact O-CG 3.3Å; E243-L247 WeakPolarHBondContact O-CG 2.92Å; E243-L247 PolarHBondContact O-N 3.21Å; L247-K250 WeakPolarHBondContact O-CB 3.44Å; L247-K250 PolarHBondContact O-N 3.49Å; L247-L251 WeakPolarHBondContact O-CB 3.33Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å; L247-L251 PolarHBondContact O-N 3.38Å; L247-F278 HydrophobicContact CD1-CE1 3.98Å; L247-F278 HydrophobicContact CD2-CD1 4.49Å; L247-F278 HydrophobicContact CD2-CE1 4.47Å; L247-L279 HydrophobicContact CD1-CD2 4.13Å; L247-L285 HydrophobicContact CD1-CB 4.35Å; L247-L285 HydrophobicContact CD1-CD1 3.79Å; L247-L285 HydrophobicContact CD1-CD2 4.48Å; L247-L285 HydrophobicContact CD1-CG 4.44Å; L247-L289 HydrophobicContact CB-CD1 3.57Å; L247-L289 HydrophobicContact CD1-CD1 4.12Å; L247-L289 HydrophobicContact CG-CD1 4.48Å
248K94Very high91.3Very high111 Ų11134.1 Ų34.148%0.48316%0.159SC..Hα-helixtrans-62.3-47.4174.1-171.6170.5-173.4166.20112.3M244 Q245 L246 K250 L251 Q252 L289M244-K248 VanDerWaalsContact O-CB 3.29Å; M244-K248 WeakPolarHBondContact O-CB 3.5Å; M244-K248 PolarHBondContact O-N 3.44Å; Q245-K248 PolarHBondContact O-N 3.18Å; L246-K248 VanDerWaalsContact C-N 3.34Å; K248-K250 VanDerWaalsContact C-N 3.3Å; K248-K250 PolarHBondContact O-N 3.12Å; K248-L251 PolarHBondContact O-N 3.37Å; K248-Q252 WeakPolarHBondContact O-CB 3.39Å; K248-Q252 PolarHBondContact O-N 3.01Å; K248-L289 HydrophobicContact CB-CD2 3.9Å; K248-L289 HydrophobicContact CG-CD2 4.43Å
249E93.6Very high91.2Very high26 Ų2635.8 Ų35.812%0.12117%0.167CC..Hα-helixtrans-60.3-41.6175.2-73.9-172.8175.300111.2R29 M166 Q245 L246 Q252 E253R29-E249 IonicContact CZ-OE1 3.56Å; R29-E249 IonicContact NH1-OE1 3.35Å; R29-E249 PolarHBondContact NH1-OE1 3.42Å; M166-E249 HydrophobicContact CE-CB 4.3Å; M166-E249 HydrophobicContact SD-CB 4.36Å; Q245-E249 PolarHBondContact O-N 3.19Å; L246-E249 PolarHBondContact O-N 3.43Å; E249-Q252 PolarHBondContact O-N 2.88Å; E249-E253 PolarHBondContact O-N 3.32Å
250K93.5Very high90.6Very high0 Ų040.3 Ų40.30%019%0.188CC..Hα-helixtrans-62-46.6176.5-168.2-170.1-175.582.10112.8M166 S168 M171 L246 L247 K248 Q252 E253 I254 V275M166-K250 PolarHBondContact O-NZ 3.43Å; M166-K250 HydrophobicContact SD-CB 4.03Å; S168-K250 PolarHBondContact O-NZ 2.99Å; M171-K250 HydrophobicContact CE-CD 4.27Å; L246-K250 WeakPolarHBondContact O-CB 3.36Å; L246-K250 PolarHBondContact O-N 2.89Å; L247-K250 WeakPolarHBondContact O-CB 3.44Å; L247-K250 PolarHBondContact O-N 3.49Å; K248-K250 VanDerWaalsContact C-N 3.3Å; K248-K250 PolarHBondContact O-N 3.12Å; K250-Q252 VanDerWaalsContact C-N 3.33Å; K250-E253 PolarHBondContact O-N 3.44Å; K250-I254 HydrophobicContact CG-CD1 4.43Å; K250-I254 WeakPolarHBondContact O-CG1 3.38Å; K250-I254 PolarHBondContact O-N 2.95Å; K250-V275 HydrophobicContact CD-CG2 3.88Å
251L93.2Very high89.7Confident2 Ų242 Ų421%0.0119%0.194CC..Hα-helixtrans-63.5-40.9177.8-72.7171.7000111.1L247 K248 E253 I254 Y255 L272 V275 L289 D292 M293 L296L247-L251 WeakPolarHBondContact O-CB 3.33Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å; L247-L251 PolarHBondContact O-N 3.38Å; K248-L251 PolarHBondContact O-N 3.37Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-E253 PolarHBondContact O-N 3.03Å; L251-I254 PolarHBondContact O-N 3.4Å; L251-Y255 PolarHBondContact O-N 2.94Å; L251-L272 HydrophobicContact CD2-CD1 4.11Å; L251-V275 HydrophobicContact CD2-CG1 3.75Å; L251-V275 HydrophobicContact CG-CG1 4.41Å; L251-L289 HydrophobicContact CD1-CB 4.24Å; L251-L289 HydrophobicContact CD1-CD1 4.28Å; L251-L289 HydrophobicContact CD1-CD2 4.3Å; L251-D292 HydrophobicContact CD1-CB 3.96Å; L251-M293 HydrophobicContact CD1-CG 4.48Å; L251-M293 HydrophobicContact CD1-SD 4.05Å; L251-M293 HydrophobicContact CD2-SD 3.63Å; L251-L296 HydrophobicContact CB-CD1 4.06Å; L251-L296 HydrophobicContact CD2-CD1 3.61Å; L251-L296 HydrophobicContact CG-CD1 4.4Å
252Q91.6Very high88.4Confident81 Ų8145.3 Ų45.338%0.37921%0.21SC..Hα-helixtrans-62.4-40.7175.1-17562.332.900111.9K248 E249 K250 Y255 L256K248-Q252 WeakPolarHBondContact O-CB 3.39Å; K248-Q252 PolarHBondContact O-N 3.01Å; E249-Q252 PolarHBondContact O-N 2.88Å; K250-Q252 VanDerWaalsContact C-N 3.33Å; Q252-Y255 WeakPolarHBondContact O-CB 3.49Å; Q252-Y255 PolarHBondContact O-N 3.33Å; Q252-L256 HydrophobicContact CG-CD1 4.37Å; Q252-L256 WeakPolarHBondContact O-CG 3.4Å; Q252-L256 PolarHBondContact O-N 3.38Å
253E90.5Very high87.3Confident23 Ų2349.8 Ų49.811%0.10724%0.237CC..Hα-helixtrans-64.5-42.1175.6179.1154.6-154.100112R162 M166 H167 E249 K250 L251 Y255 L256 Q257R162-E253 IonicContact CZ-OE1 3.55Å; R162-E253 IonicContact CZ-OE2 3.85Å; R162-E253 IonicContact NH1-OE1 3.58Å; R162-E253 IonicContact NH1-OE2 3.42Å; R162-E253 PolarHBondContact NH1-OE2 3.04Å; R162-E253 IonicContact NH2-OE1 2.72Å; R162-E253 PolarHBondContact NH2-OE1 3.43Å; R162-E253 IonicContact NH2-OE2 3.15Å; M166-E253 WeakPolarHBondContact CB-OE2 3.4Å; M166-E253 WeakPolarHBondContact CG-OE2 3.36Å; H167-E253 IonicContact NE2-OE1 2.74Å; H167-E253 PolarHBondContact NE2-OE1 3.49Å; E249-E253 PolarHBondContact O-N 3.32Å; K250-E253 PolarHBondContact O-N 3.44Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-E253 PolarHBondContact O-N 3.03Å; E253-Y255 VanDerWaalsContact C-N 3.31Å; E253-Y255 PolarHBondContact O-N 3.16Å; E253-L256 PolarHBondContact O-N 2.97Å; E253-Q257 WeakPolarHBondContact O-CB 3.44Å; E253-Q257 VanDerWaalsContact O-CG 3.28Å; E253-Q257 WeakPolarHBondContact O-CG 3.29Å; E253-Q257 PolarHBondContact O-N 3.33Å
254I90.8Very high86.2Confident2 Ų251.4 Ų51.41%0.0125%0.246CC..Hα-helixtrans-60.4-43.2173.6-68.3167.9000110.6K250 L251 Q257 A258 L268 L272 V275 L296K250-I254 HydrophobicContact CG-CD1 4.43Å; K250-I254 WeakPolarHBondContact O-CG1 3.38Å; K250-I254 PolarHBondContact O-N 2.95Å; L251-I254 PolarHBondContact O-N 3.4Å; I254-Q257 PolarHBondContact O-N 3.27Å; I254-A258 WeakPolarHBondContact O-CB 3.46Å; I254-A258 PolarHBondContact O-N 2.91Å; I254-L268 HydrophobicContact CB-CD1 4.31Å; I254-L268 HydrophobicContact CG1-CD1 4.18Å; I254-L268 HydrophobicContact CG2-CD1 3.9Å; I254-L268 HydrophobicContact CG2-CG 4.38Å; I254-L272 HydrophobicContact CG2-CB 4.29Å; I254-L272 HydrophobicContact CG2-CD1 4.37Å; I254-V275 HydrophobicContact CD1-CG2 4.41Å; I254-L296 HydrophobicContact CG2-CD2 3.95Å
255Y90.1Very high85.5Confident64 Ų6451.6 Ų51.625%0.25125%0.25SC..Hα-helixtrans-60.1-49.9178178.5-89.5000111.3L251 Q252 E253 Q257 A258 E259 L296 L299L251-Y255 PolarHBondContact O-N 2.94Å; Q252-Y255 WeakPolarHBondContact O-CB 3.49Å; Q252-Y255 PolarHBondContact O-N 3.33Å; E253-Y255 VanDerWaalsContact C-N 3.31Å; E253-Y255 PolarHBondContact O-N 3.16Å; Y255-Q257 VanDerWaalsContact C-N 3.28Å; Y255-Q257 PolarHBondContact O-N 3.48Å; Y255-A258 PolarHBondContact O-N 3.42Å; Y255-A258 VanDerWaalsContact O-N 3.17Å; Y255-E259 PolarHBondContact O-N 2.96Å; Y255-L296 HydrophobicContact CD2-CD2 4.04Å; Y255-L296 HydrophobicContact CD2-CG 4.32Å; Y255-L296 HydrophobicContact CG-CD2 4.38Å; Y255-L299 HydrophobicContact CD2-CD2 3.86Å; Y255-L299 HydrophobicContact CE2-CB 4.14Å; Y255-L299 HydrophobicContact CE2-CD1 4.25Å; Y255-L299 HydrophobicContact CE2-CD2 3.87Å; Y255-L299 HydrophobicContact CE2-CG 4.32Å
256L88.4Confident84.9Confident31 Ų3156.2 Ų56.216%0.16227%0.271CS..Hα-helixtrans-62.6-35.6178.3-69.9173000111.8R122 Q252 E253R122-L256 VanDerWaalsContact CZ-O 3.22Å; R122-L256 PolarHBondContact NE-O 3.32Å; R122-L256 VanDerWaalsContact NH2-C 3.34Å; R122-L256 PolarHBondContact NH2-O 3.09Å; Q252-L256 HydrophobicContact CG-CD1 4.37Å; Q252-L256 WeakPolarHBondContact O-CG 3.4Å; Q252-L256 PolarHBondContact O-N 3.38Å; E253-L256 PolarHBondContact O-N 2.97Å
257Q86.9Confident84.3Confident35 Ų3563.1 Ų63.116%0.16430%0.304CS..Hα-helixtrans-67.5-40.1174.5-74.1176.3-0.400112.3R122 H167 E253 I254 Y255 E260 L268R122-Q257 VanDerWaalsContact NH2-CA 3.35Å; H167-Q257 PolarHBondContact NE2-NE2 3.28Å; E253-Q257 WeakPolarHBondContact O-CB 3.44Å; E253-Q257 VanDerWaalsContact O-CG 3.28Å; E253-Q257 WeakPolarHBondContact O-CG 3.29Å; E253-Q257 PolarHBondContact O-N 3.33Å; I254-Q257 PolarHBondContact O-N 3.27Å; Y255-Q257 VanDerWaalsContact C-N 3.28Å; Y255-Q257 PolarHBondContact O-N 3.48Å; Q257-E260 PolarHBondContact O-N 3.37Å; Q257-L268 HydrophobicContact CB-CD1 4.1Å; Q257-L268 HydrophobicContact CB-CD2 3.73Å
258A86.1Confident83.8Confident3 Ų363.4 Ų63.43%0.02531%0.305CS..Hα-helixtrans-69-38.6177.800000112.1I254 Y255 E260 Q261 L264 L268 L299 Q303I254-A258 WeakPolarHBondContact O-CB 3.46Å; I254-A258 PolarHBondContact O-N 2.91Å; Y255-A258 PolarHBondContact O-N 3.42Å; Y255-A258 VanDerWaalsContact O-N 3.17Å; A258-E260 VanDerWaalsContact C-N 3.26Å; A258-E260 PolarHBondContact O-N 2.77Å; A258-Q261 PolarHBondContact O-N 2.91Å; A258-Q261 VanDerWaalsContact O-O 3.11Å; A258-L264 HydrophobicContact CB-CD1 3.46Å; A258-L264 VanDerWaalsContact CB-CD1 3.46Å; A258-L268 HydrophobicContact CB-CD2 4.13Å; A258-L299 HydrophobicContact CB-CD2 3.5Å; A258-Q303 PolarHBondContact O-NE2 3.23Å
259E83.3Confident83.3Confident111 Ų11159.8 Ų59.852%0.51929%0.294SS..Hα-helixtrans-64.1-28.8178.5-171.3-176.4-135.300113Y255 Q261Y255-E259 PolarHBondContact O-N 2.96Å; E259-Q261 VanDerWaalsContact C-N 3.33Å
260E75.6Confident83Confident94 Ų9462.8 Ų62.844%0.43931%0.311SS..Hα-helixtrans-76.4-21.2179.9-175.5171.1-13600113.1R71 R122 Q257 A258R71-E260 IonicContact CZ-OE1 2.66Å; R71-E260 IonicContact NH2-OE1 3.52Å; R71-E260 PolarHBondContact NH2-OE1 2.85Å; R122-E260 IonicContact CZ-OE2 2.61Å; R122-E260 IonicContact NH1-OE1 3.95Å; R122-E260 PolarHBondContact NH1-OE1 3.3Å; R122-E260 IonicContact NH1-OE2 3.61Å; R122-E260 PolarHBondContact NH1-OE2 3.02Å; R122-E260 IonicContact NH2-OE2 3.08Å; R122-E260 PolarHBondContact NH2-OE2 3.04Å; Q257-E260 PolarHBondContact O-N 3.37Å; A258-E260 VanDerWaalsContact C-N 3.26Å; A258-E260 PolarHBondContact O-N 2.77Å
261Q71.3Confident82.7Confident77 Ų7763.7 Ų63.736%0.3631%0.314SS..  trans-112126.7-170.5-56.7-165.540.900110.8A258 E259 V263 P265 Q303A258-Q261 PolarHBondContact O-N 2.91Å; A258-Q261 VanDerWaalsContact O-O 3.11Å; E259-Q261 VanDerWaalsContact C-N 3.33Å; Q261-V263 WeakPolarHBondContact CB-O 3.35Å; Q261-V263 PolarHBondContact O-N 3.32Å; Q261-P265 VanDerWaalsContact CD-CG 3.46Å; Q261-Q303 PolarHBondContact O-NE2 2.97Å
262E64.3Low82.5Confident183 Ų18363.7 Ų63.786%0.85531%0.314SS*.SBendtrans-60.9-32.3174.9-67.6-177.117000111.6
263V69.6Low82.5Confident105 Ų10563.2 Ų63.264%0.63631%0.312SS*.SBendtrans-123.8127174.8-178.90000109.1Q261 P265Q261-V263 WeakPolarHBondContact CB-O 3.35Å; Q261-V263 PolarHBondContact O-N 3.32Å; V263-P265 VanDerWaalsContact O-CD 3.29Å; V263-P265 WeakPolarHBondContact O-CD 3.41Å
264L69.1Low82.5Confident35 Ų3564.9 Ų64.918%0.18332%0.324CS..  trans-65.2120.3177.8-163.179.4000110.2A258 L268A258-L264 HydrophobicContact CB-CD1 3.46Å; A258-L264 VanDerWaalsContact CB-CD1 3.46Å; L264-L268 HydrophobicContact CD1-CB 4.42Å; L264-L268 HydrophobicContact CD1-CD2 3.5Å; L264-L268 VanDerWaalsContact CD1-CD2 3.5Å; L264-L268 HydrophobicContact CD1-CG 3.95Å; L264-L268 HydrophobicContact CG-CB 4.38Å; L264-L268 HydrophobicContact CG-CD2 4.31Å; L264-L268 HydrophobicContact CG-CG 4.41Å
265P80.4Confident82.6Confident41 Ų4164.8 Ų64.827%0.26632%0.323SS..  trans-58145.3174.4-27.236.3000111.5Q261 V263 E267 L268 S269Q261-P265 VanDerWaalsContact CD-CG 3.46Å; V263-P265 VanDerWaalsContact O-CD 3.29Å; V263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-E267 PolarHBondContact O-N 3.46Å; P265-L268 HydrophobicContact CB-CB 4.2Å; P265-L268 HydrophobicContact CG-CB 4.4Å; P265-L268 PolarHBondContact O-N 3.46Å; P265-S269 PolarHBondContact O-N 3.47Å
266E80.7Confident82.6Confident156 Ų15663 Ų6373%0.72932%0.317SS*.Hα-helixtrans-55.5-39.6175-169.9172.4-174.600111.4L268 S269 N270E266-L268 PolarHBondContact O-N 3.26Å; E266-S269 WeakPolarHBondContact O-CB 3.42Å; E266-S269 PolarHBondContact O-N 2.79Å; E266-N270 WeakPolarHBondContact O-CB 3.35Å; E266-N270 PolarHBondContact O-N 2.98Å; E266-N270 PolarHBondContact O-ND2 2.99Å
267E82.8Confident82.8Confident145 Ų14565.5 Ų65.568%0.67833%0.327SS*.Hα-helixtrans-60.8-44.7175.4-173.1-179.5177.800112.8P265 S269 N270 R271P265-E267 PolarHBondContact O-N 3.46Å; E267-S269 VanDerWaalsContact C-N 3.32Å; E267-N270 PolarHBondContact O-N 3.43Å; E267-R271 WeakPolarHBondContact O-CB 2.73Å; E267-R271 VanDerWaalsContact O-CG 3.32Å; E267-R271 WeakPolarHBondContact O-CG 3.05Å; E267-R271 PolarHBondContact O-N 3.13Å
268L83.8Confident83.1Confident7 Ų765.5 Ų65.54%0.03733%0.327CS..Hα-helixtrans-69-35.8178.2-172.560.7000111.1I254 Q257 A258 L264 P265 E266 L272I254-L268 HydrophobicContact CB-CD1 4.31Å; I254-L268 HydrophobicContact CG1-CD1 4.18Å; I254-L268 HydrophobicContact CG2-CD1 3.9Å; I254-L268 HydrophobicContact CG2-CG 4.38Å; Q257-L268 HydrophobicContact CB-CD1 4.1Å; Q257-L268 HydrophobicContact CB-CD2 3.73Å; A258-L268 HydrophobicContact CB-CD2 4.13Å; L264-L268 HydrophobicContact CD1-CB 4.42Å; L264-L268 HydrophobicContact CD1-CD2 3.5Å; L264-L268 VanDerWaalsContact CD1-CD2 3.5Å; L264-L268 HydrophobicContact CD1-CG 3.95Å; L264-L268 HydrophobicContact CG-CB 4.38Å; L264-L268 HydrophobicContact CG-CD2 4.31Å; L264-L268 HydrophobicContact CG-CG 4.41Å; P265-L268 HydrophobicContact CB-CB 4.2Å; P265-L268 HydrophobicContact CG-CB 4.4Å; P265-L268 PolarHBondContact O-N 3.46Å; E266-L268 PolarHBondContact O-N 3.26Å; L268-L272 PolarHBondContact O-N 3.35Å; L268-L272 VanDerWaalsContact O-N 3.1Å
269S84.4Confident83.3Confident35 Ų3565.6 Ų65.625%0.24533%0.327CS..Hα-helixtrans-61.6-49.8173.8-169.90000111.4P265 E266 E267 R271 L272 E273 R300P265-S269 PolarHBondContact O-N 3.47Å; E266-S269 WeakPolarHBondContact O-CB 3.42Å; E266-S269 PolarHBondContact O-N 2.79Å; E267-S269 VanDerWaalsContact C-N 3.32Å; S269-R271 PolarHBondContact O-N 2.7Å; S269-L272 PolarHBondContact O-N 3.12Å; S269-E273 WeakPolarHBondContact O-CG 3.48Å; S269-E273 PolarHBondContact O-N 3.34Å; S269-R300 PolarHBondContact O-NH2 2.87Å; S269-R300 PolarHBondContact OG-NH2 3.5Å
270N87Confident83.7Confident88 Ų8866.9 Ų66.947%0.47133%0.327SS..Hα-helixtrans-60.2-45.5178.4-69.8-17.3000111.2E266 E267 L272 E273 V274E266-N270 WeakPolarHBondContact O-CB 3.35Å; E266-N270 PolarHBondContact O-N 2.98Å; E266-N270 PolarHBondContact O-ND2 2.99Å; E267-N270 PolarHBondContact O-N 3.43Å; N270-L272 VanDerWaalsContact C-N 3.31Å; N270-L272 PolarHBondContact O-N 2.97Å; N270-E273 PolarHBondContact O-N 3.27Å; N270-V274 WeakPolarHBondContact O-CG2 3.38Å; N270-V274 PolarHBondContact O-N 3.25Å
271R87.4Confident84.3Confident19 Ų1967.2 Ų67.27%0.07233%0.332CS..Hα-helixtrans-56.8-43.7175.9-76.8171.861.6-148.1-6.9112.2M166 H167 E267 S269 V274 V275M166-R271 PolarHBondContact O-NH2 2.83Å; H167-R271 PolarHBondContact CD2-NH2 2.68Å; E267-R271 WeakPolarHBondContact O-CB 2.73Å; E267-R271 VanDerWaalsContact O-CG 3.32Å; E267-R271 WeakPolarHBondContact O-CG 3.05Å; E267-R271 PolarHBondContact O-N 3.13Å; S269-R271 PolarHBondContact O-N 2.7Å; R271-V274 PolarHBondContact O-N 2.73Å; R271-V275 WeakPolarHBondContact O-CG2 3.45Å; R271-V275 PolarHBondContact O-N 2.94Å; R271-V275 VanDerWaalsContact O-N 3.17Å
272L89.3Confident85.2Confident2 Ų264.1 Ų64.11%0.0132%0.318CS..Hα-helixtrans-68.4-39.3178-179.358.7000112.3L251 I254 L268 S269 N270 V274 V275 K276 M293 L296 R300L251-L272 HydrophobicContact CD2-CD1 4.11Å; I254-L272 HydrophobicContact CG2-CB 4.29Å; I254-L272 HydrophobicContact CG2-CD1 4.37Å; L268-L272 PolarHBondContact O-N 3.35Å; L268-L272 VanDerWaalsContact O-N 3.1Å; S269-L272 PolarHBondContact O-N 3.12Å; N270-L272 VanDerWaalsContact C-N 3.31Å; N270-L272 PolarHBondContact O-N 2.97Å; L272-V274 VanDerWaalsContact C-N 3.33Å; L272-V274 PolarHBondContact O-N 2.76Å; L272-V275 PolarHBondContact O-N 3.43Å; L272-K276 HydrophobicContact CG-CD 4.41Å; L272-K276 WeakPolarHBondContact O-CG 3.47Å; L272-K276 PolarHBondContact O-N 3.37Å; L272-M293 HydrophobicContact CD1-CE 4.34Å; L272-L296 HydrophobicContact CD1-CD1 3.9Å; L272-L296 HydrophobicContact CD2-CB 4.4Å; L272-R300 VanDerWaalsContact CD2-NE 3.33Å; L272-R300 VanDerWaalsContact CD2-NH2 3.31Å
273E90Very high86.3Confident72 Ų7259.6 Ų59.634%0.33630%0.297SS..Hα-helixtrans-64.2-37.9176.6-68-50.1132.800112.1S269 N270 V275 K276 E277 R300S269-E273 WeakPolarHBondContact O-CG 3.48Å; S269-E273 PolarHBondContact O-N 3.34Å; N270-E273 PolarHBondContact O-N 3.27Å; E273-V275 PolarHBondContact O-N 2.88Å; E273-K276 WeakPolarHBondContact O-CB 3.37Å; E273-K276 PolarHBondContact O-N 3.5Å; E273-K276 IonicContact OE1-NZ 2.71Å; E273-E277 WeakPolarHBondContact O-CB 3.26Å; E273-E277 PolarHBondContact O-N 3.28Å; E273-R300 IonicContact OE1-CZ 3.81Å; E273-R300 IonicContact OE1-NH1 2.76Å; E273-R300 PolarHBondContact OE1-NH1 3.4Å; E273-R300 IonicContact OE1-NH2 3.42Å
274V91.6Very high87.2Confident58 Ų5855.3 Ų55.335%0.35227%0.27SS..Hα-helixtrans-64.5-41.4174.5-178.60000111.3S169 N270 R271 L272 K276 E277 F278S169-V274 WeakPolarHBondContact O-CG1 3.38Å; N270-V274 WeakPolarHBondContact O-CG2 3.38Å; N270-V274 PolarHBondContact O-N 3.25Å; R271-V274 PolarHBondContact O-N 2.73Å; L272-V274 VanDerWaalsContact C-N 3.33Å; L272-V274 PolarHBondContact O-N 2.76Å; V274-K276 VanDerWaalsContact C-N 3.35Å; V274-K276 PolarHBondContact O-N 3.45Å; V274-E277 PolarHBondContact O-N 3.3Å; V274-F278 WeakPolarHBondContact O-CB 3.49Å; V274-F278 PolarHBondContact O-N 3.26Å
275V91.9Very high88.3Confident0 Ų053.7 Ų53.70%026%0.262CS..Hα-helixtrans-64.3-40175.3176.20000111.3M171 K250 L251 I254 R271 L272 E273 F278 L279M171-V275 HydrophobicContact CE-CG2 3.78Å; K250-V275 HydrophobicContact CD-CG2 3.88Å; L251-V275 HydrophobicContact CD2-CG1 3.75Å; L251-V275 HydrophobicContact CG-CG1 4.41Å; I254-V275 HydrophobicContact CD1-CG2 4.41Å; R271-V275 WeakPolarHBondContact O-CG2 3.45Å; R271-V275 PolarHBondContact O-N 2.94Å; R271-V275 VanDerWaalsContact O-N 3.17Å; L272-V275 PolarHBondContact O-N 3.43Å; E273-V275 PolarHBondContact O-N 2.88Å; V275-F278 PolarHBondContact O-N 2.93Å; V275-L279 HydrophobicContact CG1-CD1 4.17Å; V275-L279 HydrophobicContact CG1-CG 4.45Å; V275-L279 WeakPolarHBondContact O-CG 2.95Å; V275-L279 PolarHBondContact O-N 2.92Å
276K91Very high88.7Confident25 Ų2556.3 Ų56.311%0.10927%0.266CS..Hα-helixtrans-59.9-47.5175.1-80175.2174-1740112L272 E273 V274 F278 L279 R280 M293 D297L272-K276 HydrophobicContact CG-CD 4.41Å; L272-K276 WeakPolarHBondContact O-CG 3.47Å; L272-K276 PolarHBondContact O-N 3.37Å; E273-K276 WeakPolarHBondContact O-CB 3.37Å; E273-K276 PolarHBondContact O-N 3.5Å; E273-K276 IonicContact OE1-NZ 2.71Å; V274-K276 VanDerWaalsContact C-N 3.35Å; V274-K276 PolarHBondContact O-N 3.45Å; K276-F278 VanDerWaalsContact C-N 3.34Å; K276-L279 PolarHBondContact O-N 2.9Å; K276-R280 WeakPolarHBondContact O-CG 3.38Å; K276-R280 PolarHBondContact O-N 3.33Å; K276-M293 HydrophobicContact CD-CE 3.93Å; K276-M293 HydrophobicContact CG-CE 3.29Å; K276-M293 HydrophobicContact CG-SD 4.45Å; K276-D297 WeakPolarHBondContact CE-OD1 3.36Å; K276-D297 IonicContact NZ-OD1 3.58Å; K276-D297 PolarHBondContact NZ-OD1 3.1Å; K276-D297 IonicContact NZ-OD2 3.59Å
277E92.4Very high89.1Confident84 Ų8453.1 Ų53.139%0.39326%0.262SS..Hα-helixtrans-66.3-40179.7-17053.9-147.100111.2E273 V274 L279 R280 N281E273-E277 WeakPolarHBondContact O-CB 3.26Å; E273-E277 PolarHBondContact O-N 3.28Å; V274-E277 PolarHBondContact O-N 3.3Å; E277-L279 PolarHBondContact O-N 3.28Å; E277-R280 PolarHBondContact O-N 3.19Å; E277-R280 IonicContact OE2-CZ 3.02Å; E277-R280 IonicContact OE2-NH1 2.78Å; E277-R280 PolarHBondContact OE2-NH1 3.49Å; E277-N281 PolarHBondContact O-N 2.99Å; E277-N281 PolarHBondContact O-ND2 3.17Å; E277-N281 PolarHBondContact OE1-ND2 3.21Å
278F92.4Very high89.3Confident35 Ų3548.4 Ų48.415%0.15425%0.251CS..Hα-helixtrans-56.7-49.1171.7-179.6-89.9000111.4Y15 M171 L247 V274 V275 K276 R280 N281 N282 L285Y15-F278 AromaticContact CE2-CE2 3.84Å; Y15-F278 HydrophobicContact CE2-CE2 3.84Å; Y15-F278 AromaticContact CE2-CZ 3.76Å; Y15-F278 HydrophobicContact CE2-CZ 3.76Å; Y15-F278 AromaticContact CZ-CZ 3.98Å; M171-F278 HydrophobicContact SD-CB 4.39Å; M171-F278 HydrophobicContact SD-CD2 4.18Å; M171-F278 HydrophobicContact SD-CG 4.14Å; L247-F278 HydrophobicContact CD1-CE1 3.98Å; L247-F278 HydrophobicContact CD2-CD1 4.49Å; L247-F278 HydrophobicContact CD2-CE1 4.47Å; V274-F278 WeakPolarHBondContact O-CB 3.49Å; V274-F278 PolarHBondContact O-N 3.26Å; V275-F278 PolarHBondContact O-N 2.93Å; K276-F278 VanDerWaalsContact C-N 3.34Å; F278-R280 VanDerWaalsContact C-N 3.35Å; F278-R280 PolarHBondContact O-N 2.87Å; F278-N281 PolarHBondContact O-N 3.36Å; F278-N282 PolarHBondContact O-N 3.1Å; F278-N282 PolarHBondContact O-ND2 2.68Å; F278-L285 HydrophobicContact CE1-CD1 3.76Å; F278-L285 HydrophobicContact CZ-CD1 4.24Å
279L92Very high89.7Confident5 Ų548.1 Ų48.13%0.02625%0.25CC..Hα-helixtrans-67.2-31.8179.1-67.8175.1000113L247 V275 K276 E277 N281 N282 L285 R286 L289 M293L247-L279 HydrophobicContact CD1-CD2 4.13Å; V275-L279 HydrophobicContact CG1-CD1 4.17Å; V275-L279 HydrophobicContact CG1-CG 4.45Å; V275-L279 WeakPolarHBondContact O-CG 2.95Å; V275-L279 PolarHBondContact O-N 2.92Å; K276-L279 PolarHBondContact O-N 2.9Å; E277-L279 PolarHBondContact O-N 3.28Å; L279-N281 PolarHBondContact O-N 3.49Å; L279-N282 CarbonylContact O-C 3.55Å; L279-N282 PolarHBondContact O-N 3.27Å; L279-N282 VanDerWaalsContact O-O 3.1Å; L279-L285 HydrophobicContact CD2-CB 3.95Å; L279-R286 HydrophobicContact CB-CB 4.46Å; L279-R286 HydrophobicContact CB-CG 4.48Å; L279-R286 WeakPolarHBondContact O-CB 3.32Å; L279-L289 HydrophobicContact CD1-CB 4.43Å; L279-L289 HydrophobicContact CD1-CD1 4.25Å; L279-L289 HydrophobicContact CD2-CD1 3.75Å; L279-M293 HydrophobicContact CD1-CG 3.99Å; L279-M293 HydrophobicContact CD1-SD 3.81Å
280R90.4Very high90Very high139 Ų13949.4 Ų49.453%0.52526%0.257SS..Hα-helixtrans-61.1-36.8174.8-77.7175.5-173.7156.20.6112.3K276 E277 F278 N282 R286K276-R280 WeakPolarHBondContact O-CG 3.38Å; K276-R280 PolarHBondContact O-N 3.33Å; E277-R280 PolarHBondContact O-N 3.19Å; E277-R280 IonicContact OE2-CZ 3.02Å; E277-R280 IonicContact OE2-NH1 2.78Å; E277-R280 PolarHBondContact OE2-NH1 3.49Å; F278-R280 VanDerWaalsContact C-N 3.35Å; F278-R280 PolarHBondContact O-N 2.87Å; R280-N282 VanDerWaalsContact C-N 3.35Å; R280-R286 PolarHBondContact O-NH1 3.45Å
281N89.4Confident90.1Very high100 Ų10051.8 Ų51.854%0.53527%0.265SS..THydrogen-bonded Turntrans-85.6-3.1-178-66.2-50.1000113.9E277 F278 L279E277-N281 PolarHBondContact O-N 2.99Å; E277-N281 PolarHBondContact O-ND2 3.17Å; E277-N281 PolarHBondContact OE1-ND2 3.21Å; F278-N281 PolarHBondContact O-N 3.36Å; L279-N281 PolarHBondContact O-N 3.49Å
282N90Very high90.3Very high13 Ų1351.6 Ų51.67%0.0727%0.265CS..  trans-135.989.2-177.8-62.5-78.5000109.2R9 F278 L279 R280 D284 L285 R286R9-N282 WeakPolarHBondContact CD-OD1 3.5Å; R9-N282 PolarHBondContact NH1-OD1 3.14Å; F278-N282 PolarHBondContact O-N 3.1Å; F278-N282 PolarHBondContact O-ND2 2.68Å; L279-N282 CarbonylContact O-C 3.55Å; L279-N282 PolarHBondContact O-N 3.27Å; L279-N282 VanDerWaalsContact O-O 3.1Å; R280-N282 VanDerWaalsContact C-N 3.35Å; N282-D284 VanDerWaalsContact C-N 3.27Å; N282-D284 PolarHBondContact O-N 3.33Å; N282-L285 HydrophobicContact CB-CD1 4.25Å; N282-L285 PolarHBondContact O-N 3.38Å; N282-R286 PolarHBondContact O-N 2.86Å; N282-R286 VanDerWaalsContact O-N 3.09Å
283E87.3Confident90.3Very high87 Ų8752.6 Ų52.641%0.40727%0.27SS..Hα-helixtrans-68.9-31.2-170.6-61.1-155.3133.200112.3E5 L285 R286 S287E5-E283 PolarHBondContact OE2-N 3.16Å; E283-L285 VanDerWaalsContact C-N 3.28Å; E283-L285 PolarHBondContact O-N 3.38Å; E283-R286 PolarHBondContact O-N 3.16Å; E283-R286 IonicContact OE1-CZ 2.85Å; E283-R286 IonicContact OE1-NH1 3.64Å; E283-R286 IonicContact OE1-NH2 3.3Å; E283-R286 PolarHBondContact OE1-NH2 3.4Å; E283-S287 PolarHBondContact O-N 3.12Å
284D88.3Confident90.2Very high16 Ų1655.1 Ų55.19%0.08628%0.282CS..Hα-helixtrans-55.2-43.9175.567.3-41.9000111.7V2 R9 N240 N282 S287V2-D284 HydrophobicContact CB-CB 4.37Å; V2-D284 HydrophobicContact CG1-CB 3.69Å; V2-D284 HydrophobicContact CG2-CB 4.11Å; R9-D284 IonicContact CZ-OD1 3.22Å; R9-D284 IonicContact CZ-OD2 3.06Å; R9-D284 IonicContact NH1-OD1 3.77Å; R9-D284 PolarHBondContact NH1-OD1 2.92Å; R9-D284 VanDerWaalsContact NH1-OD1 3.14Å; R9-D284 IonicContact NH1-OD2 2.76Å; R9-D284 IonicContact NH2-OD1 2.69Å; R9-D284 IonicContact NH2-OD2 3.85Å; R9-D284 PolarHBondContact NH2-OD2 3.49Å; N240-D284 PolarHBondContact ND2-OD2 3.5Å; N282-D284 VanDerWaalsContact C-N 3.27Å; N282-D284 PolarHBondContact O-N 3.33Å; D284-S287 PolarHBondContact O-OG 3.33Å
285L91.1Very high90Very high0 Ų057.4 Ų57.40%029%0.287CS..Hα-helixtrans-82.3-36.4179.2-61.5172.4000112.6E243 M244 L247 F278 L279 N282 E283 S287 G288E243-L285 HydrophobicContact CB-CD1 4.24Å; E243-L285 HydrophobicContact CB-CD2 3.69Å; M244-L285 HydrophobicContact CE-CD2 4.16Å; L247-L285 HydrophobicContact CD1-CB 4.35Å; L247-L285 HydrophobicContact CD1-CD1 3.79Å; L247-L285 HydrophobicContact CD1-CD2 4.48Å; L247-L285 HydrophobicContact CD1-CG 4.44Å; F278-L285 HydrophobicContact CE1-CD1 3.76Å; F278-L285 HydrophobicContact CZ-CD1 4.24Å; L279-L285 HydrophobicContact CD2-CB 3.95Å; N282-L285 HydrophobicContact CB-CD1 4.25Å; N282-L285 PolarHBondContact O-N 3.38Å; E283-L285 VanDerWaalsContact C-N 3.28Å; E283-L285 PolarHBondContact O-N 3.38Å; L285-S287 VanDerWaalsContact C-N 3.31Å; L285-S287 PolarHBondContact O-N 3.41Å; L285-G288 PolarHBondContact O-N 2.99Å
286R90.3Very high89.7Confident96 Ų9657.7 Ų57.736%0.36229%0.289SS..Hα-helixtrans-58.9-41.7-177.9-169.2175.669.6-152.90.2112.8L279 R280 N282 E283 G288 L289 T290L279-R286 HydrophobicContact CB-CB 4.46Å; L279-R286 HydrophobicContact CB-CG 4.48Å; L279-R286 WeakPolarHBondContact O-CB 3.32Å; R280-R286 PolarHBondContact O-NH1 3.45Å; N282-R286 PolarHBondContact O-N 2.86Å; N282-R286 VanDerWaalsContact O-N 3.09Å; E283-R286 PolarHBondContact O-N 3.16Å; E283-R286 IonicContact OE1-CZ 2.85Å; E283-R286 IonicContact OE1-NH1 3.64Å; E283-R286 IonicContact OE1-NH2 3.3Å; E283-R286 PolarHBondContact OE1-NH2 3.4Å; R286-G288 VanDerWaalsContact C-N 3.27Å; R286-G288 PolarHBondContact O-N 2.8Å; R286-L289 PolarHBondContact O-N 2.74Å; R286-T290 PolarHBondContact O-N 3.2Å; R286-T290 PolarHBondContact O-OG1 3.33Å; R286-T290 VanDerWaalsContact O-OG1 3.07Å
287S87.6Confident89.4Confident90 Ų9059.9 Ų59.963%0.62930%0.301SS*.Hα-helixtrans-58.2-39.2-177.366.70000112.4E283 D284 L285E283-S287 PolarHBondContact O-N 3.12Å; D284-S287 PolarHBondContact O-OG 3.33Å; L285-S287 VanDerWaalsContact C-N 3.31Å; L285-S287 PolarHBondContact O-N 3.41Å
288G88.4Confident89.1Confident45 Ų4558.5 Ų58.546%0.46430%0.301SS..Hα-helixtrans-80.6-13.6-179.400000115.8L285 R286L285-G288 PolarHBondContact O-N 2.99Å; R286-G288 VanDerWaalsContact C-N 3.27Å; R286-G288 PolarHBondContact O-N 2.8Å
289L92.1Very high88.5Confident1 Ų158.1 Ų58.11%0.00530%0.301CS..THydrogen-bonded Turntrans-115.111.2-174.3-63.4170000113.7M244 L247 K248 L251 L279 R286 E291 D292 M293M244-L289 HydrophobicContact SD-CD1 4.04Å; M244-L289 HydrophobicContact SD-CD2 3.74Å; M244-L289 HydrophobicContact SD-CG 3.52Å; M244-L289 VanDerWaalsContact SD-CG 3.52Å; L247-L289 HydrophobicContact CB-CD1 3.57Å; L247-L289 HydrophobicContact CD1-CD1 4.12Å; L247-L289 HydrophobicContact CG-CD1 4.48Å; K248-L289 HydrophobicContact CB-CD2 3.9Å; K248-L289 HydrophobicContact CG-CD2 4.43Å; L251-L289 HydrophobicContact CD1-CB 4.24Å; L251-L289 HydrophobicContact CD1-CD1 4.28Å; L251-L289 HydrophobicContact CD1-CD2 4.3Å; L279-L289 HydrophobicContact CD1-CB 4.43Å; L279-L289 HydrophobicContact CD1-CD1 4.25Å; L279-L289 HydrophobicContact CD2-CD1 3.75Å; R286-L289 PolarHBondContact O-N 2.74Å; L289-E291 VanDerWaalsContact C-N 3.33Å; L289-E291 PolarHBondContact O-N 2.73Å; L289-D292 PolarHBondContact O-N 3.47Å; L289-M293 WeakPolarHBondContact O-CG 3.47Å; L289-M293 PolarHBondContact O-N 3.39Å
290T89.6Confident87.6Confident63 Ų6359.7 Ų59.739%0.38731%0.306SS..Hα-helixtrans-61-41.2-175.4-64.70000112.1R286 M293 Q294R286-T290 PolarHBondContact O-N 3.2Å; R286-T290 PolarHBondContact O-OG1 3.33Å; R286-T290 VanDerWaalsContact O-OG1 3.07Å; T290-M293 PolarHBondContact O-N 3Å; T290-Q294 VanDerWaalsContact O-CG 3.3Å; T290-Q294 WeakPolarHBondContact O-CG 3.4Å; T290-Q294 PolarHBondContact O-N 3.28Å
291E89.8Confident86.7Confident137 Ų13758.2 Ų58.264%0.6431%0.308SS*.Hα-helixtrans-65.7-42.5177.9-65.4-176.8-177.100112.5L289 M293 Q294 K295L289-E291 VanDerWaalsContact C-N 3.33Å; L289-E291 PolarHBondContact O-N 2.73Å; E291-M293 VanDerWaalsContact C-N 3.3Å; E291-M293 PolarHBondContact O-N 3.31Å; E291-Q294 PolarHBondContact O-N 2.97Å; E291-K295 WeakPolarHBondContact O-CG 3.49Å; E291-K295 PolarHBondContact O-N 3.25Å
292D91.9Very high85.8Confident15 Ų1559 Ų598%0.0831%0.309CS..Hα-helixtrans-64.1-38.7179.3-62.9-59.8000110.7L251 L289 L296L251-D292 HydrophobicContact CD1-CB 3.96Å; L289-D292 PolarHBondContact O-N 3.47Å; D292-L296 PolarHBondContact O-N 3.21Å
293M88.4Confident84.8Confident24 Ų2459.6 Ų59.612%0.11831%0.311CS..Hα-helixtrans-65.1-45.1173.5-72.7-56.4-44.900113L251 L272 K276 L279 L289 T290 E291 K295 L296 D297L251-M293 HydrophobicContact CD1-CG 4.48Å; L251-M293 HydrophobicContact CD1-SD 4.05Å; L251-M293 HydrophobicContact CD2-SD 3.63Å; L272-M293 HydrophobicContact CD1-CE 4.34Å; K276-M293 HydrophobicContact CD-CE 3.93Å; K276-M293 HydrophobicContact CG-CE 3.29Å; K276-M293 HydrophobicContact CG-SD 4.45Å; L279-M293 HydrophobicContact CD1-CG 3.99Å; L279-M293 HydrophobicContact CD1-SD 3.81Å; L289-M293 WeakPolarHBondContact O-CG 3.47Å; L289-M293 PolarHBondContact O-N 3.39Å; T290-M293 PolarHBondContact O-N 3Å; E291-M293 VanDerWaalsContact C-N 3.3Å; E291-M293 PolarHBondContact O-N 3.31Å; M293-K295 VanDerWaalsContact C-N 3.33Å; M293-K295 PolarHBondContact O-N 3.5Å; M293-L296 PolarHBondContact O-N 3.32Å; M293-D297 PolarHBondContact O-N 3.37Å
294Q88.1Confident83.6Confident125 Ų12562.2 Ų62.258%0.58432%0.321SS*.Hα-helixtrans-62.3-39.4178.1-75.2174.60.800112.2T290 E291 L296 D297 S298T290-Q294 VanDerWaalsContact O-CG 3.3Å; T290-Q294 WeakPolarHBondContact O-CG 3.4Å; T290-Q294 PolarHBondContact O-N 3.28Å; E291-Q294 PolarHBondContact O-N 2.97Å; Q294-L296 VanDerWaalsContact C-N 3.35Å; Q294-L296 PolarHBondContact O-N 3.05Å; Q294-D297 PolarHBondContact O-N 3.11Å; Q294-S298 WeakPolarHBondContact O-CB 3.43Å; Q294-S298 PolarHBondContact O-N 2.95Å
295K87.8Confident82.3Confident105 Ų10566.1 Ų66.146%0.45734%0.341SS..Hα-helixtrans-58.9-46.4174.9-73.7170.8-172165.20111.3E291 M293 S298 L299E291-K295 WeakPolarHBondContact O-CG 3.49Å; E291-K295 PolarHBondContact O-N 3.25Å; M293-K295 VanDerWaalsContact C-N 3.33Å; M293-K295 PolarHBondContact O-N 3.5Å; K295-S298 PolarHBondContact O-N 3.36Å; K295-S298 PolarHBondContact O-OG 3.32Å; K295-L299 PolarHBondContact O-N 2.98Å; K295-L299 VanDerWaalsContact O-N 3.07Å
296L85.3Confident80.8Confident6 Ų671.8 Ų71.83%0.03137%0.372CS..Hα-helixtrans-64.4-40.5177.6-83.2163.6000113.3L251 I254 Y255 L272 D292 M293 Q294 S298 L299 R300L251-L296 HydrophobicContact CB-CD1 4.06Å; L251-L296 HydrophobicContact CD2-CD1 3.61Å; L251-L296 HydrophobicContact CG-CD1 4.4Å; I254-L296 HydrophobicContact CG2-CD2 3.95Å; Y255-L296 HydrophobicContact CD2-CD2 4.04Å; Y255-L296 HydrophobicContact CD2-CG 4.32Å; Y255-L296 HydrophobicContact CG-CD2 4.38Å; L272-L296 HydrophobicContact CD1-CD1 3.9Å; L272-L296 HydrophobicContact CD2-CB 4.4Å; D292-L296 PolarHBondContact O-N 3.21Å; M293-L296 PolarHBondContact O-N 3.32Å; Q294-L296 VanDerWaalsContact C-N 3.35Å; Q294-L296 PolarHBondContact O-N 3.05Å; L296-S298 VanDerWaalsContact C-N 3.34Å; L296-L299 PolarHBondContact O-N 3.29Å; L296-R300 PolarHBondContact O-N 2.69Å; L296-R300 VanDerWaalsContact O-N 3.11Å
297D85.9Confident79.2Confident71 Ų7171.2 Ų71.238%0.3838%0.383SS..Hα-helixtrans-66.6-37.9176.5-76-29.4000111.9K276 M293 Q294 R300 L301K276-D297 WeakPolarHBondContact CE-OD1 3.36Å; K276-D297 IonicContact NZ-OD1 3.58Å; K276-D297 PolarHBondContact NZ-OD1 3.1Å; K276-D297 IonicContact NZ-OD2 3.59Å; M293-D297 PolarHBondContact O-N 3.37Å; Q294-D297 PolarHBondContact O-N 3.11Å; D297-R300 PolarHBondContact O-N 3.3Å; D297-L301 PolarHBondContact O-N 3.24Å
298S84.9Confident77.5Confident56 Ų5674 Ų7439%0.39239%0.386SS..Hα-helixtrans-62.8-41.8174.476.90000111.9Q294 K295 L296 R300 L301 H302Q294-S298 WeakPolarHBondContact O-CB 3.43Å; Q294-S298 PolarHBondContact O-N 2.95Å; K295-S298 PolarHBondContact O-N 3.36Å; K295-S298 PolarHBondContact O-OG 3.32Å; L296-S298 VanDerWaalsContact C-N 3.34Å; S298-R300 PolarHBondContact O-N 3.11Å; S298-L301 PolarHBondContact O-N 3.05Å; S298-H302 PolarHBondContact O-N 3.49Å; S298-H302 VanDerWaalsContact O-N 3.1Å; S298-H302 PolarHBondContact O-ND1 3.42Å
299L80.4Confident75.1Confident27 Ų2779.5 Ų79.514%0.14140%0.399CS..Hα-helixtrans-61.5-44.1177.2-172.373.6000111.2Y255 A258 K295 L296 L301 H302 Q303Y255-L299 HydrophobicContact CD2-CD2 3.86Å; Y255-L299 HydrophobicContact CE2-CB 4.14Å; Y255-L299 HydrophobicContact CE2-CD1 4.25Å; Y255-L299 HydrophobicContact CE2-CD2 3.87Å; Y255-L299 HydrophobicContact CE2-CG 4.32Å; A258-L299 HydrophobicContact CB-CD2 3.5Å; K295-L299 PolarHBondContact O-N 2.98Å; K295-L299 VanDerWaalsContact O-N 3.07Å; L296-L299 PolarHBondContact O-N 3.29Å; L299-L301 VanDerWaalsContact C-N 3.32Å; L299-L301 PolarHBondContact O-N 3.01Å; L299-H302 PolarHBondContact O-N 2.82Å; L299-Q303 WeakPolarHBondContact O-CG 3.18Å; L299-Q303 PolarHBondContact O-N 3.31Å
300R73.5Confident72.8Confident37 Ų3785.2 Ų85.214%0.1444%0.436CS..Hα-helixtrans-62.1-38.5176.1-77.7-177.2162.7-164.73.8112.8S269 L272 E273 L296 D297 S298 Q303 K304S269-R300 PolarHBondContact O-NH2 2.87Å; S269-R300 PolarHBondContact OG-NH2 3.5Å; L272-R300 VanDerWaalsContact CD2-NE 3.33Å; L272-R300 VanDerWaalsContact CD2-NH2 3.31Å; E273-R300 IonicContact OE1-CZ 3.81Å; E273-R300 IonicContact OE1-NH1 2.76Å; E273-R300 PolarHBondContact OE1-NH1 3.4Å; E273-R300 IonicContact OE1-NH2 3.42Å; L296-R300 PolarHBondContact O-N 2.69Å; L296-R300 VanDerWaalsContact O-N 3.11Å; D297-R300 PolarHBondContact O-N 3.3Å; S298-R300 PolarHBondContact O-N 3.11Å; R300-Q303 PolarHBondContact O-N 3.39Å; R300-K304 WeakPolarHBondContact O-CG 3.47Å; R300-K304 PolarHBondContact O-N 2.85Å
301L71.6Confident70.5Confident109 Ų10985.6 Ų85.657%0.57145%0.453SS*.Hα-helixtrans-65.8-43.1179-165.772.9000111D297 S298 L299 K304 L305D297-L301 PolarHBondContact O-N 3.24Å; S298-L301 PolarHBondContact O-N 3.05Å; L299-L301 VanDerWaalsContact C-N 3.32Å; L299-L301 PolarHBondContact O-N 3.01Å; L301-K304 PolarHBondContact O-N 3.26Å; L301-L305 HydrophobicContact CG-CD1 4.31Å; L301-L305 WeakPolarHBondContact O-CG 3.26Å; L301-L305 PolarHBondContact O-N 3.08Å
302H69.4Low67.9Low116 Ų11690.8 Ų90.854%0.53747%0.466SS..Hα-helixtrans-60.7-47.7175-72.783.7000111.2S298 L299 K304 L305 D306S298-H302 PolarHBondContact O-N 3.49Å; S298-H302 VanDerWaalsContact O-N 3.1Å; S298-H302 PolarHBondContact O-ND1 3.42Å; L299-H302 PolarHBondContact O-N 2.82Å; H302-K304 VanDerWaalsContact C-N 3.32Å; H302-K304 PolarHBondContact O-N 3.37Å; H302-L305 PolarHBondContact O-N 3.48Å; H302-L305 VanDerWaalsContact O-N 3.11Å; H302-D306 PolarHBondContact O-N 2.95Å
303Q68.3Low65.4Low26 Ų2698.9 Ų98.912%0.12150%0.504CS..Hα-helixtrans-60.1-38.4177.6-72177-13.700113.1A258 Q261 L299 R300 S307A258-Q303 PolarHBondContact O-NE2 3.23Å; Q261-Q303 PolarHBondContact O-NE2 2.97Å; L299-Q303 WeakPolarHBondContact O-CG 3.18Å; L299-Q303 PolarHBondContact O-N 3.31Å; R300-Q303 PolarHBondContact O-N 3.39Å; Q303-S307 WeakPolarHBondContact O-CB 3.46Å; Q303-S307 PolarHBondContact O-N 3.04Å; Q303-S307 VanDerWaalsContact O-N 3.08Å; Q303-S307 PolarHBondContact O-OG 3.02Å
304K63.8Low62.9Low141 Ų141103.7 Ų103.761%0.61353%0.534SS*.Hα-helixtrans-67.4-36.1175.7-77.6-177.7179-175.80112.9R300 L301 H302 Q308R300-K304 WeakPolarHBondContact O-CG 3.47Å; R300-K304 PolarHBondContact O-N 2.85Å; L301-K304 PolarHBondContact O-N 3.26Å; H302-K304 VanDerWaalsContact C-N 3.32Å; H302-K304 PolarHBondContact O-N 3.37Å; K304-Q308 WeakPolarHBondContact O-CG 3.47Å; K304-Q308 PolarHBondContact O-N 3.05Å
305L61.2Low60.9Low98 Ų98103.5 Ų103.551%0.51354%0.544SS..Hα-helixtrans-72.5-42.5178-71.8167.3000111.4L301 H302 S307 Q308 E309L301-L305 HydrophobicContact CG-CD1 4.31Å; L301-L305 WeakPolarHBondContact O-CG 3.26Å; L301-L305 PolarHBondContact O-N 3.08Å; H302-L305 PolarHBondContact O-N 3.48Å; H302-L305 VanDerWaalsContact O-N 3.11Å; L305-S307 VanDerWaalsContact C-N 3.26Å; L305-S307 PolarHBondContact O-N 3.47Å; L305-Q308 PolarHBondContact O-N 3.24Å; L305-E309 PolarHBondContact O-N 2.88Å
306D57.9Low58.4Low119 Ų119106 Ų10664%0.63656%0.563SS**Hα-helixtrans-64.3-33176.1-69.2-18.2000111.7H302 Q308H302-D306 PolarHBondContact O-N 2.95Å; D306-Q308 PolarHBondContact O-N 3.33Å
307S57.6Low56.2Low85 Ų85117.7 Ų117.759%0.59461%0.606SS**THydrogen-bonded Turntrans-70.6-12.5173.2-57.40000113.8Q303 L305Q303-S307 WeakPolarHBondContact O-CB 3.46Å; Q303-S307 PolarHBondContact O-N 3.04Å; Q303-S307 VanDerWaalsContact O-N 3.08Å; Q303-S307 PolarHBondContact O-OG 3.02Å; L305-S307 VanDerWaalsContact C-N 3.26Å; L305-S307 PolarHBondContact O-N 3.47Å
308Q51.4Low54.2Low148 Ų148123.7 Ų123.769%0.69263%0.629SS**THydrogen-bonded Turntrans-107.8-1.8-176.9-75-175.36.900114.2K304 L305 D306 P310K304-Q308 WeakPolarHBondContact O-CG 3.47Å; K304-Q308 PolarHBondContact O-N 3.05Å; L305-Q308 PolarHBondContact O-N 3.24Å; D306-Q308 PolarHBondContact O-N 3.33Å; Q308-P310 VanDerWaalsContact O-CD 3.22Å; Q308-P310 WeakPolarHBondContact O-CD 3.31Å
309E38.7Very low52.3Low161 Ų161129.5 Ų129.575%0.75268%0.68SS**  trans-69.3116.3171.4-77.3-155.1150.400110.8L305 G311L305-E309 PolarHBondContact O-N 2.88Å; E309-G311 PolarHBondContact O-N 3.4Å
310P42.8Very low50.9Low120 Ų120134.6 Ų134.678%0.77971%0.707SS**  trans-72.7132.1174.8-7.324.4000109.3Q308 R312Q308-P310 VanDerWaalsContact O-CD 3.22Å; Q308-P310 WeakPolarHBondContact O-CD 3.31Å; P310-R312 PolarHBondContact O-N 3.16Å
311G41.3Very low49.7Very low71 Ų71139.7 Ų139.773%0.73274%0.737SS**  trans-44.5124.6176.300000112.3E309 Q313E309-G311 PolarHBondContact O-N 3.4Å; G311-Q313 PolarHBondContact O-N 3.3Å
312R36.6Very low48.5Very low247 Ų247141.4 Ų141.493%0.93275%0.746SS**  trans-55.4107.6171.8-75.9-177.9-180-177.81.1108.8P310 T314P310-R312 PolarHBondContact O-N 3.16Å; R312-T314 PolarHBondContact O-N 3.13Å; R312-T314 VanDerWaalsContact O-N 3.16Å
313Q37.6Very low47.3Very low185 Ų185142.9 Ų142.986%0.86476%0.758SS**PPolyproline II helixtrans-53.3117.8167.9-70.1174.5-3.500108.7G311G311-Q313 PolarHBondContact O-N 3.3Å
314T37.3Very low46Very low124 Ų124150.3 Ų150.376%0.76180%0.798SS**PPolyproline II helixtrans-60.7127.5162.238.10000108.7R312 D316R312-T314 PolarHBondContact O-N 3.13Å; R312-T314 VanDerWaalsContact O-N 3.16Å; T314-D316 PolarHBondContact O-N 3.23Å
315P45.7Very low44.8Very low122 Ų122150.9 Ų150.979%0.79281%0.811SS**PPolyproline II helixtrans-72.2121.5174.926.3-28.6000109.6R317P315-R317 PolarHBondContact O-N 2.78Å; P315-R317 VanDerWaalsContact O-N 3.16Å
316D36.2Very low43.6Very low158 Ų158154.6 Ų154.685%0.84583%0.832SS**  trans-48.9114.9168.4-89.8-35.6000110.7T314 K318T314-D316 PolarHBondContact O-N 3.23Å; D316-K318 PolarHBondContact O-N 2.91Å
317R37.3Very low42.5Very low251 Ų251157.4 Ų157.495%0.94785%0.847SS**  trans-82.9102.9158.4-89.2-176.1168.1179.6-3.3107.8P315P315-R317 PolarHBondContact O-N 2.78Å; P315-R317 VanDerWaalsContact O-N 3.16Å
318K45.5Very low41.3Very low197 Ų197163.4 Ų163.486%0.85787%0.868SS**  trans-62.5144.3162.7-77.1-177.9176.5178.70110.2D316D316-K318 PolarHBondContact O-N 2.91Å
319A44.9Very low40.3Very low177 Ų177164.8 Ų164.8100%1.46388%0.884SS**  trans-55.1017400000113.8

Retrieved 319 of 319 residues in 1018.7 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).