A0A077ZD82_TRITR Loading...

RUN and PX domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD82, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 581 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
1M32.2Very low38.3Very low233 Ų233108.8 Ų108.8100%1.14862%0.621SS**  01040-73180175.800106.6T3M1-T3 PolarHBondContact O-N 3.42Å; M1-T3 VanDerWaalsContact O-N 3.13Å
2F27.7Very low40.1Very low208 Ų208105.2 Ų105.291%0.91261%0.614SS**  trans-68.8107.1178-68.7-85.1000107.7N4F2-N4 PolarHBondContact O-N 3.38Å
3T28.7Very low41.8Very low122 Ų122100.6 Ų100.675%0.74859%0.591SS**  trans-67.1103.8171.447.10000107.1M1 S5M1-T3 PolarHBondContact O-N 3.42Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-S5 PolarHBondContact O-N 3.42Å; T3-S5 PolarHBondContact O-OG 3.12Å
4N27.7Very low44.2Very low134 Ų13494.1 Ų94.172%0.71755%0.552SS**  trans-58.173.4165-94.1-4.9000109.2F2 N6F2-N4 PolarHBondContact O-N 3.38Å; N4-N6 PolarHBondContact O-N 3.41Å
5S30.8Very low46.3Very low90 Ų9089.8 Ų89.863%0.62953%0.531SS*.  trans-72.670.716540.20000107T3 C7T3-S5 PolarHBondContact O-N 3.42Å; T3-S5 PolarHBondContact O-OG 3.12Å; S5-C7 PolarHBondContact O-N 3.42Å
6N31.9Very low48.2Very low92 Ų9289.5 Ų89.549%0.49252%0.523SS..  trans-75.335.7179-86.38.3000112N4 N84N4-N6 PolarHBondContact O-N 3.41Å; N6-N84 WeakPolarHBondContact CB-OD1 3.09Å; N6-N84 PolarHBondContact O-ND2 2.8Å; N6-N84 VanDerWaalsContact O-ND2 3.11Å; N6-N84 PolarHBondContact O-OD1 2.77Å
7C39.3Very low49.9Very low53 Ų5385.1 Ų85.136%0.35850%0.497SS..  trans-125.785.9171.6-140.40000107S5 I9 W159S5-C7 PolarHBondContact O-N 3.42Å; C7-I9 PolarHBondContact O-N 3.26Å; C7-W159 PolarHBondContact SG-NE1 3.29Å
8S39.8Very low51.9Low54 Ų5482.5 Ų82.538%0.37848%0.478SS..  trans-82.19.9-175.444.50000114.2S10 D407S8-S10 PolarHBondContact O-N 2.82Å; S8-D407 WeakPolarHBondContact CB-OD1 3.04Å; S8-D407 PolarHBondContact OG-OD1 3.49Å
9I48.8Very low53.5Low66 Ų6681.9 Ų81.934%0.33847%0.473SS..SBendtrans-55.5120.2160.9-63.9165.7000106.2C7 A11 C13 H14C7-I9 PolarHBondContact O-N 3.26Å; I9-A11 PolarHBondContact O-N 3.24Å; I9-C13 HydrophobicContact CG2-CB 3.48Å; I9-C13 VanDerWaalsContact CG2-CB 3.48Å; I9-H14 WeakPolarHBondContact CB-NE2 3.47Å; I9-H14 VanDerWaalsContact CD1-CE1 3.41Å; I9-H14 WeakPolarHBondContact CD1-CE1 3.4Å; I9-H14 VanDerWaalsContact CG2-CD2 3.5Å; I9-H14 WeakPolarHBondContact CG2-CD2 3.26Å; I9-H14 WeakPolarHBondContact CG2-NE2 3.33Å
10S53.5Low54.9Low66 Ų6679.8 Ų79.846%0.46246%0.461SS..  trans-47.1132.3179.6170.40000109.1S8 A12 C13 H14S8-S10 PolarHBondContact O-N 2.82Å; S10-A12 CarbonylContact O-C 3.51Å; S10-A12 PolarHBondContact O-N 3.17Å; S10-A12 WeakPolarHBondContact OG-CB 3.43Å; S10-A12 PolarHBondContact OG-N 3.36Å; S10-C13 WeakPolarHBondContact O-CA 3.46Å; S10-C13 WeakPolarHBondContact O-CB 2.87Å; S10-C13 PolarHBondContact O-N 3.3Å; S10-H14 PolarHBondContact O-N 3.31Å
11A61.2Low56.4Low79 Ų7976.1 Ų76.165%0.65344%0.44SS*.Hα-helixtrans-49.9-2717400000111.6I9 A15I9-A11 PolarHBondContact O-N 3.24Å; A11-A15 VanDerWaalsContact O-CB 3.28Å; A11-A15 WeakPolarHBondContact O-CB 3.44Å; A11-A15 PolarHBondContact O-N 3.25Å
12A60.1Low59.2Low65 Ų6566 Ų6654%0.53739%0.39SS..Hα-helixtrans-67.1-40.6172.300000113.8S10 A15 H16S10-A12 CarbonylContact O-C 3.51Å; S10-A12 PolarHBondContact O-N 3.17Å; S10-A12 WeakPolarHBondContact OG-CB 3.43Å; S10-A12 PolarHBondContact OG-N 3.36Å; A12-A15 PolarHBondContact O-N 3.48Å; A12-H16 WeakPolarHBondContact O-CB 3.49Å; A12-H16 PolarHBondContact O-N 2.95Å
13C62.3Low62Low46 Ų4659.7 Ų59.731%0.31137%0.368SS..Hα-helixtrans-63.9-46.2175-81.30000111I9 S10 A15 H16 V17I9-C13 HydrophobicContact CG2-CB 3.48Å; I9-C13 VanDerWaalsContact CG2-CB 3.48Å; S10-C13 WeakPolarHBondContact O-CA 3.46Å; S10-C13 WeakPolarHBondContact O-CB 2.87Å; S10-C13 PolarHBondContact O-N 3.3Å; C13-A15 VanDerWaalsContact C-N 3.35Å; C13-A15 PolarHBondContact O-N 3.41Å; C13-H16 WeakPolarHBondContact O-CB 3.45Å; C13-H16 PolarHBondContact O-N 3.5Å; C13-V17 WeakPolarHBondContact O-CG2 3.34Å; C13-V17 PolarHBondContact O-N 2.84Å
14H74.4Confident64.6Low10 Ų1055.3 Ų55.35%0.04634%0.339CS..Hα-helixtrans-63.9-40.6175.7-74.1-55.4000112.5I9 S10 H16 V17 R18 W159I9-H14 WeakPolarHBondContact CB-NE2 3.47Å; I9-H14 VanDerWaalsContact CD1-CE1 3.41Å; I9-H14 WeakPolarHBondContact CD1-CE1 3.4Å; I9-H14 VanDerWaalsContact CG2-CD2 3.5Å; I9-H14 WeakPolarHBondContact CG2-CD2 3.26Å; I9-H14 WeakPolarHBondContact CG2-NE2 3.33Å; S10-H14 PolarHBondContact O-N 3.31Å; H14-H16 VanDerWaalsContact C-N 3.3Å; H14-H16 PolarHBondContact O-N 3.16Å; H14-V17 PolarHBondContact O-N 3.3Å; H14-R18 WeakPolarHBondContact O-CG 3.39Å; H14-R18 PolarHBondContact O-N 3.08Å; H14-W159 HydrophobicContact CB-CB 3.89Å; H14-W159 AromaticContact CD2-CD2 3.79Å; H14-W159 AromaticContact CD2-CG 3.51Å; H14-W159 AromaticContact CE1-CD2 3.25Å; H14-W159 AromaticContact CE1-CE2 3.53Å; H14-W159 AromaticContact CE1-CE3 3.24Å; H14-W159 AromaticContact CE1-CG 3.85Å; H14-W159 AromaticContact CE1-CH2 3.73Å; H14-W159 AromaticContact CE1-CZ2 3.79Å; H14-W159 AromaticContact CE1-CZ3 3.47Å; H14-W159 VanDerWaalsContact CE1-CZ3 3.47Å; H14-W159 WeakPolarHBondContact CE1-CZ3 3.38Å; H14-W159 AromaticContact CG-CD2 3.88Å; H14-W159 AromaticContact CG-CE3 3.84Å; H14-W159 AromaticContact CG-CG 3.85Å; H14-W159 AromaticContact ND1-CD2 3.57Å; H14-W159 AromaticContact ND1-CE3 3.21Å; H14-W159 AromaticContact ND1-CZ3 3.65Å; H14-W159 AromaticContact NE2-CD1 3.75Å; H14-W159 AromaticContact NE2-CD2 3.37Å; H14-W159 AromaticContact NE2-CE2 3.56Å; H14-W159 AromaticContact NE2-CE3 3.85Å; H14-W159 AromaticContact NE2-CG 3.49Å; H14-W159 AromaticContact NE2-NE1 3.76Å
15A76.4Confident67.5Low29 Ų2949 Ų4924%0.2431%0.305CS..Hα-helixtrans-58.7-44.4173.900000111.5A11 A12 C13 R18 D19A11-A15 VanDerWaalsContact O-CB 3.28Å; A11-A15 WeakPolarHBondContact O-CB 3.44Å; A11-A15 PolarHBondContact O-N 3.25Å; A12-A15 PolarHBondContact O-N 3.48Å; C13-A15 VanDerWaalsContact C-N 3.35Å; C13-A15 PolarHBondContact O-N 3.41Å; A15-R18 WeakPolarHBondContact O-CB 3.47Å; A15-R18 PolarHBondContact O-N 2.97Å; A15-D19 PolarHBondContact O-N 2.76Å
16H75.7Confident70.3Confident85 Ų8548.6 Ų48.639%0.39430%0.295SS..Hα-helixtrans-61.4-46.1176.4-176.461.3000112.3A12 C13 H14 R18 D19 V20A12-H16 WeakPolarHBondContact O-CB 3.49Å; A12-H16 PolarHBondContact O-N 2.95Å; C13-H16 WeakPolarHBondContact O-CB 3.45Å; C13-H16 PolarHBondContact O-N 3.5Å; H14-H16 VanDerWaalsContact C-N 3.3Å; H14-H16 PolarHBondContact O-N 3.16Å; H16-R18 VanDerWaalsContact C-N 3.31Å; H16-R18 PolarHBondContact O-N 3.19Å; H16-D19 WeakPolarHBondContact O-CB 3.16Å; H16-D19 PolarHBondContact O-N 3.29Å; H16-D19 VanDerWaalsContact O-N 3.16Å; H16-V20 VanDerWaalsContact O-CG2 3.31Å; H16-V20 WeakPolarHBondContact O-CG2 3.5Å; H16-V20 PolarHBondContact O-N 3.49Å
17V77.9Confident72.9Confident15 Ų1549.5 Ų49.59%0.09130%0.297CS..Hα-helixtrans-61-41.3176.4174.90000110.9C13 H14 D19 V20 L21 H61C13-V17 WeakPolarHBondContact O-CG2 3.34Å; C13-V17 PolarHBondContact O-N 2.84Å; H14-V17 PolarHBondContact O-N 3.3Å; V17-D19 VanDerWaalsContact C-N 3.34Å; V17-D19 PolarHBondContact O-N 3.27Å; V17-V20 PolarHBondContact O-N 3.44Å; V17-L21 HydrophobicContact CG1-CD1 4.01Å; V17-L21 HydrophobicContact CG1-CG 4.33Å; V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 VanDerWaalsContact O-CG 3.28Å; V17-L21 WeakPolarHBondContact O-CG 3.3Å; V17-L21 PolarHBondContact O-N 3.38Å; V17-H61 WeakPolarHBondContact CG1-NE2 3.32Å
18R85.4Confident75.1Confident38 Ų3847.2 Ų47.214%0.14328%0.281CS..Hα-helixtrans-61-41.6174.4-70.3-164.3-54.6-80.70.1112.3H14 A15 H16 L21 L22 W159 F161 D164 K167H14-R18 WeakPolarHBondContact O-CG 3.39Å; H14-R18 PolarHBondContact O-N 3.08Å; A15-R18 WeakPolarHBondContact O-CB 3.47Å; A15-R18 PolarHBondContact O-N 2.97Å; H16-R18 VanDerWaalsContact C-N 3.31Å; H16-R18 PolarHBondContact O-N 3.19Å; R18-L21 PolarHBondContact O-N 3.2Å; R18-L22 WeakPolarHBondContact O-CB 3.42Å; R18-L22 PolarHBondContact O-N 3.21Å; R18-W159 PolarHBondContact NH1-O 2.81Å; R18-F161 HydrophobicContact CB-CD2 4.27Å; R18-F161 HydrophobicContact CG-CB 4.41Å; R18-F161 HydrophobicContact CG-CD2 4.37Å; R18-D164 IonicContact CZ-OD2 3.02Å; R18-D164 IonicContact NE-OD2 3.52Å; R18-D164 PolarHBondContact NE-OD2 3.49Å; R18-D164 IonicContact NH2-OD2 2.68Å; R18-D164 PolarHBondContact NH2-OD2 3.27Å; R18-K167 HydrophobicContact CB-CG 4.48Å
19D82.9Confident77.2Confident72 Ų7244.6 Ų44.639%0.38526%0.263SS..Hα-helixtrans-64.1-44.2177-71.2-27.9000111.5A15 H16 V17 L22 V23 K167A15-D19 PolarHBondContact O-N 2.76Å; H16-D19 WeakPolarHBondContact O-CB 3.16Å; H16-D19 PolarHBondContact O-N 3.29Å; H16-D19 VanDerWaalsContact O-N 3.16Å; V17-D19 VanDerWaalsContact C-N 3.34Å; V17-D19 PolarHBondContact O-N 3.27Å; D19-L22 PolarHBondContact O-N 3.32Å; D19-V23 WeakPolarHBondContact O-CG2 3.25Å; D19-V23 PolarHBondContact O-N 3.19Å; D19-K167 WeakPolarHBondContact OD1-CE 3.5Å; D19-K167 IonicContact OD1-NZ 2.82Å; D19-K167 PolarHBondContact OD1-NZ 2.94Å
20V81.4Confident78.9Confident38 Ų3846.4 Ų46.423%0.2327%0.274CS..Hα-helixtrans-63.7-43.6177.5173.80000111.3H16 V17 L22 V23 K24 F200 L203H16-V20 VanDerWaalsContact O-CG2 3.31Å; H16-V20 WeakPolarHBondContact O-CG2 3.5Å; H16-V20 PolarHBondContact O-N 3.49Å; V17-V20 PolarHBondContact O-N 3.44Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 3.34Å; V20-V23 PolarHBondContact O-N 2.88Å; V20-K24 PolarHBondContact O-N 2.94Å; V20-F200 HydrophobicContact CG1-CD1 3.86Å; V20-F200 HydrophobicContact CG1-CE1 3.24Å; V20-F200 HydrophobicContact CG1-CZ 4Å; V20-L203 HydrophobicContact CG1-CD1 4.48Å
21L86.4Confident80.1Confident4 Ų446.6 Ų46.62%0.02127%0.267CS..Hα-helixtrans-59.6-43.9174.8-74.9171.1000111.3V17 R18 K24 L25 H61 F161 F200V17-L21 HydrophobicContact CG1-CD1 4.01Å; V17-L21 HydrophobicContact CG1-CG 4.33Å; V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 VanDerWaalsContact O-CG 3.28Å; V17-L21 WeakPolarHBondContact O-CG 3.3Å; V17-L21 PolarHBondContact O-N 3.38Å; R18-L21 PolarHBondContact O-N 3.2Å; L21-K24 PolarHBondContact O-N 3.35Å; L21-L25 WeakPolarHBondContact O-CB 3.14Å; L21-L25 WeakPolarHBondContact O-CG 3.36Å; L21-L25 PolarHBondContact O-N 3.22Å; L21-H61 HydrophobicContact CD1-CB 3.69Å; L21-F161 HydrophobicContact CB-CD2 3.93Å; L21-F161 HydrophobicContact CB-CE2 4.06Å; L21-F161 HydrophobicContact CD1-CB 4.41Å; L21-F161 HydrophobicContact CD1-CD2 4.21Å; L21-F200 HydrophobicContact CD2-CD2 3.41Å; L21-F200 VanDerWaalsContact CD2-CD2 3.41Å; L21-F200 HydrophobicContact CD2-CE2 3.58Å; L21-F200 HydrophobicContact CD2-CG 4.04Å; L21-F200 HydrophobicContact CD2-CZ 4.36Å; L21-F200 HydrophobicContact CG-CD2 4.5Å
22L89.8Confident80.7Confident21 Ų2142.8 Ų42.811%0.1124%0.236CC..Hα-helixtrans-63.2-44.3177.4179.461.4000111.8R18 D19 V20 K24 L25 L26 F161 K167R18-L22 WeakPolarHBondContact O-CB 3.42Å; R18-L22 PolarHBondContact O-N 3.21Å; D19-L22 PolarHBondContact O-N 3.32Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 3.34Å; L22-K24 PolarHBondContact O-N 3.35Å; L22-L25 WeakPolarHBondContact O-CB 3.47Å; L22-L25 PolarHBondContact O-N 3.23Å; L22-L26 HydrophobicContact CD1-CD1 4.22Å; L22-L26 HydrophobicContact CD1-CG 4.21Å; L22-L26 HydrophobicContact CG-CD1 4.11Å; L22-L26 HydrophobicContact CG-CG 4.5Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 3.35Å; L22-F161 HydrophobicContact CB-CE2 4.09Å; L22-F161 HydrophobicContact CD1-CZ 4.46Å; L22-K167 HydrophobicContact CB-CD 4.27Å; L22-K167 HydrophobicContact CD2-CD 3.58Å; L22-K167 HydrophobicContact CG-CD 4.45Å
23V87Confident81.3Confident75 Ų7543.3 Ų43.346%0.45523%0.226SC..Hα-helixtrans-59.2-46.9177.8170.20000110.7D19 V20 L25 L26 E27D19-V23 WeakPolarHBondContact O-CG2 3.25Å; D19-V23 PolarHBondContact O-N 3.19Å; V20-V23 PolarHBondContact O-N 2.88Å; V23-L25 PolarHBondContact O-N 3.1Å; V23-L26 PolarHBondContact O-N 3.44Å; V23-E27 HydrophobicContact CG1-CG 4.27Å; V23-E27 WeakPolarHBondContact O-CB 3.12Å; V23-E27 WeakPolarHBondContact O-CG 3.33Å; V23-E27 PolarHBondContact O-N 3.26Å
24K83.2Confident81.5Confident30 Ų3045.5 Ų45.513%0.1324%0.242CC..Hα-helixtrans-64.8-39.1178.2-174.5176.7173.7-178.30112.3V20 L21 L22 L26 E27 S28 A54 E199 F200V20-K24 PolarHBondContact O-N 2.94Å; L21-K24 PolarHBondContact O-N 3.35Å; L22-K24 PolarHBondContact O-N 3.35Å; K24-L26 VanDerWaalsContact C-N 3.34Å; K24-E27 PolarHBondContact O-N 3.05Å; K24-S28 WeakPolarHBondContact O-CB 3.43Å; K24-S28 PolarHBondContact O-N 2.9Å; K24-S28 PolarHBondContact O-OG 3.38Å; K24-A54 HydrophobicContact CD-CB 4.42Å; K24-A54 HydrophobicContact CG-CB 4.15Å; K24-E199 VanDerWaalsContact NZ-CD 3.34Å; K24-E199 IonicContact NZ-OE1 2.69Å; K24-E199 IonicContact NZ-OE2 2.91Å; K24-E199 PolarHBondContact NZ-OE2 3.1Å; K24-F200 HydrophobicContact CB-CZ 4.12Å; K24-F200 HydrophobicContact CD-CE2 3.59Å; K24-F200 HydrophobicContact CD-CZ 3.47Å; K24-F200 VanDerWaalsContact CD-CZ 3.47Å; K24-F200 HydrophobicContact CG-CZ 4.43Å
25L88.9Confident80.9Confident1 Ų148.3 Ų48.31%0.00526%0.257CS..Hα-helixtrans-55.4-52.6173.6-81.4166.8000110.2L21 L22 V23 E27 S28 T29 A54 I55 A58 F161 L171L21-L25 WeakPolarHBondContact O-CB 3.14Å; L21-L25 WeakPolarHBondContact O-CG 3.36Å; L21-L25 PolarHBondContact O-N 3.22Å; L22-L25 WeakPolarHBondContact O-CB 3.47Å; L22-L25 PolarHBondContact O-N 3.23Å; V23-L25 PolarHBondContact O-N 3.1Å; L25-E27 PolarHBondContact O-N 2.96Å; L25-S28 PolarHBondContact O-N 3.32Å; L25-S28 PolarHBondContact O-OG 3.16Å; L25-T29 WeakPolarHBondContact O-CB 3.42Å; L25-T29 PolarHBondContact O-N 3.15Å; L25-T29 PolarHBondContact O-OG1 2.87Å; L25-A54 HydrophobicContact CD2-CB 3.87Å; L25-A54 HydrophobicContact CG-CB 4.27Å; L25-I55 HydrophobicContact CD2-CB 4.39Å; L25-I55 HydrophobicContact CD2-CG1 3.73Å; L25-A58 HydrophobicContact CD1-CB 3.78Å; L25-F161 HydrophobicContact CD1-CE1 4.13Å; L25-F161 HydrophobicContact CD1-CE2 4.16Å; L25-F161 HydrophobicContact CD1-CZ 3.56Å; L25-L171 HydrophobicContact CD1-CD1 4.13Å; L25-L171 HydrophobicContact CD2-CD1 4.23Å
26L89.3Confident80.2Confident81 Ų8147.7 Ų47.742%0.42425%0.249SC..Hα-helixtrans-62.6-44.4179.9-65.5173.2000112.3L22 V23 K24 T29 D30 V174L22-L26 HydrophobicContact CD1-CD1 4.22Å; L22-L26 HydrophobicContact CD1-CG 4.21Å; L22-L26 HydrophobicContact CG-CD1 4.11Å; L22-L26 HydrophobicContact CG-CG 4.5Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 3.35Å; V23-L26 PolarHBondContact O-N 3.44Å; K24-L26 VanDerWaalsContact C-N 3.34Å; L26-T29 PolarHBondContact O-N 3.48Å; L26-D30 WeakPolarHBondContact O-CB 3.47Å; L26-D30 PolarHBondContact O-N 3.16Å; L26-V174 HydrophobicContact CD2-CG2 3.83Å
27E86.6Confident79.5Confident111 Ų11151.6 Ų51.652%0.51927%0.273SS..Hα-helixtrans-63.1-42.5177-74-179.9175.900112.6V23 K24 L25 D30 Q31V23-E27 HydrophobicContact CG1-CG 4.27Å; V23-E27 WeakPolarHBondContact O-CB 3.12Å; V23-E27 WeakPolarHBondContact O-CG 3.33Å; V23-E27 PolarHBondContact O-N 3.26Å; K24-E27 PolarHBondContact O-N 3.05Å; L25-E27 PolarHBondContact O-N 2.96Å; E27-D30 PolarHBondContact O-N 3.26Å; E27-Q31 VanDerWaalsContact O-CG 3.27Å; E27-Q31 WeakPolarHBondContact O-CG 3.47Å; E27-Q31 PolarHBondContact O-N 3.37Å
28S85.1Confident78.7Confident5 Ų556.7 Ų56.74%0.03531%0.309CS..Hα-helixtrans-68.2-39.1179.167.30000111.6K24 L25 Q31 C32 L51K24-S28 WeakPolarHBondContact O-CB 3.43Å; K24-S28 PolarHBondContact O-N 2.9Å; K24-S28 PolarHBondContact O-OG 3.38Å; L25-S28 PolarHBondContact O-N 3.32Å; L25-S28 PolarHBondContact O-OG 3.16Å; S28-Q31 PolarHBondContact O-N 3.02Å; S28-C32 PolarHBondContact O-N 2.97Å; S28-C32 PolarHBondContact O-SG 3.29Å; S28-L51 WeakPolarHBondContact OG-CD1 3.2Å
29T85.9Confident78Confident0 Ų064.1 Ų64.10%034%0.337CS..Hα-helixtrans-64.4-43.7175-60.70000111.5L25 L26 Q31 C32 K33 L51 V174 E177 L178L25-T29 WeakPolarHBondContact O-CB 3.42Å; L25-T29 PolarHBondContact O-N 3.15Å; L25-T29 PolarHBondContact O-OG1 2.87Å; L26-T29 PolarHBondContact O-N 3.48Å; T29-Q31 PolarHBondContact O-N 3.18Å; T29-C32 WeakPolarHBondContact O-CB 3.37Å; T29-C32 PolarHBondContact O-N 3.14Å; T29-K33 WeakPolarHBondContact O-CG 3.47Å; T29-K33 PolarHBondContact O-N 3.19Å; T29-L51 WeakPolarHBondContact OG1-CD1 3.31Å; T29-V174 HydrophobicContact CG2-CG1 4.09Å; T29-V174 WeakPolarHBondContact OG1-CG1 3.27Å; T29-E177 HydrophobicContact CG2-CB 4.42Å; T29-E177 WeakPolarHBondContact CG2-OE2 3.39Å; T29-L178 HydrophobicContact CG2-CD2 4.24Å
30D83.6Confident77.7Confident104 Ų10465.1 Ų65.156%0.55635%0.345SS*.Hα-helixtrans-63.3-40.8177.3-167.958000112.3L26 E27 C32 K33 S34L26-D30 WeakPolarHBondContact O-CB 3.47Å; L26-D30 PolarHBondContact O-N 3.16Å; E27-D30 PolarHBondContact O-N 3.26Å; D30-C32 VanDerWaalsContact C-N 3.29Å; D30-C32 PolarHBondContact O-N 2.96Å; D30-K33 PolarHBondContact O-N 2.87Å; D30-S34 PolarHBondContact O-N 2.87Å
31Q77.8Confident77.6Confident69 Ų6963.3 Ų63.332%0.32234%0.335SS..Hα-helixtrans-62.2-36.4173.5-73.617337.100112.5E27 S28 T29 S34 N35E27-Q31 VanDerWaalsContact O-CG 3.27Å; E27-Q31 WeakPolarHBondContact O-CG 3.47Å; E27-Q31 PolarHBondContact O-N 3.37Å; S28-Q31 PolarHBondContact O-N 3.02Å; T29-Q31 PolarHBondContact O-N 3.18Å; Q31-S34 PolarHBondContact O-OG 3.16Å; Q31-N35 PolarHBondContact O-ND2 3.16Å
32C75.5Confident77.2Confident0 Ų067.5 Ų67.50%036%0.357CS..Hα-helixtrans-69.9-47.1176.3-72.80000111.7S28 T29 D30 S34 N35 F36 L51S28-C32 PolarHBondContact O-N 2.97Å; S28-C32 PolarHBondContact O-SG 3.29Å; T29-C32 WeakPolarHBondContact O-CB 3.37Å; T29-C32 PolarHBondContact O-N 3.14Å; D30-C32 VanDerWaalsContact C-N 3.29Å; D30-C32 PolarHBondContact O-N 2.96Å; C32-S34 PolarHBondContact O-N 2.73Å; C32-N35 PolarHBondContact O-N 2.92Å; C32-F36 VanDerWaalsContact C-CD2 3.46Å; C32-F36 HydrophobicContact CB-CD2 3.71Å; C32-F36 HydrophobicContact CB-CE2 3.45Å; C32-F36 VanDerWaalsContact CB-CE2 3.45Å; C32-F36 WeakPolarHBondContact O-CD2 3.36Å; C32-F36 WeakPolarHBondContact O-CG 3.23Å; C32-F36 PolarHBondContact O-N 2.51Å; C32-L51 HydrophobicContact CB-CD2 4.18Å
33K72.1Confident76.3Confident76 Ų7669.3 Ų69.333%0.3337%0.365SS..Hα-helixtrans-53.7-49.4179.9-73.7174.9-175.3165.40113.5T29 D30 N35 F36 E177T29-K33 WeakPolarHBondContact O-CG 3.47Å; T29-K33 PolarHBondContact O-N 3.19Å; D30-K33 PolarHBondContact O-N 2.87Å; K33-N35 PolarHBondContact O-N 3.04Å; K33-F36 PolarHBondContact O-N 3.03Å; K33-E177 VanDerWaalsContact CE-CD 3.41Å; K33-E177 WeakPolarHBondContact CE-OE2 3.4Å; K33-E177 IonicContact NZ-OE1 2.85Å; K33-E177 PolarHBondContact NZ-OE1 2.95Å; K33-E177 IonicContact NZ-OE2 3.77Å; K33-E177 PolarHBondContact NZ-OE2 3.17Å
34S66.1Low75.6Confident92 Ų9268.8 Ų68.864%0.64338%0.375SS*.Hα-helixtrans-59.9-11.4-174.359.10000114.7D30 Q31 C32D30-S34 PolarHBondContact O-N 2.87Å; Q31-S34 PolarHBondContact O-OG 3.16Å; C32-S34 PolarHBondContact O-N 2.73Å
35N60.8Low75.4Confident69 Ų6969.6 Ų69.637%0.36938%0.381SS..Hα-helixtrans-121.4-17.1-174.6-62.6-83.9000115Q31 C32 K33 K47Q31-N35 PolarHBondContact O-ND2 3.16Å; C32-N35 PolarHBondContact O-N 2.92Å; K33-N35 PolarHBondContact O-N 3.04Å; N35-K47 PolarHBondContact ND2-NZ 2.96Å; N35-K47 PolarHBondContact OD1-NZ 3.43Å; N35-K47 VanDerWaalsContact OD1-NZ 3.1Å
36F63.4Low75Confident15 Ų1573.9 Ų73.97%0.06641%0.407CS..Hα-helixtrans-101.84.5-166.1-63.9-42.3000116.1C32 K33 S38 R39 V41 D45 V181C32-F36 VanDerWaalsContact C-CD2 3.46Å; C32-F36 HydrophobicContact CB-CD2 3.71Å; C32-F36 HydrophobicContact CB-CE2 3.45Å; C32-F36 VanDerWaalsContact CB-CE2 3.45Å; C32-F36 WeakPolarHBondContact O-CD2 3.36Å; C32-F36 WeakPolarHBondContact O-CG 3.23Å; C32-F36 PolarHBondContact O-N 2.51Å; K33-F36 PolarHBondContact O-N 3.03Å; F36-S38 PolarHBondContact O-N 3.33Å; F36-R39 PolarHBondContact O-N 2.97Å; F36-V41 HydrophobicContact CB-CG2 4.17Å; F36-V41 HydrophobicContact CD1-CB 4.4Å; F36-V41 HydrophobicContact CD1-CG1 4.48Å; F36-V41 HydrophobicContact CD1-CG2 3.27Å; F36-V41 HydrophobicContact CD2-CG2 3.69Å; F36-V41 HydrophobicContact CE1-CB 4.08Å; F36-V41 HydrophobicContact CE1-CG1 3.73Å; F36-V41 HydrophobicContact CE1-CG2 3.39Å; F36-V41 HydrophobicContact CE2-CG1 3.93Å; F36-V41 HydrophobicContact CE2-CG2 3.79Å; F36-V41 HydrophobicContact CG-CG2 3.45Å; F36-V41 VanDerWaalsContact CG-CG2 3.45Å; F36-V41 HydrophobicContact CZ-CB 4.17Å; F36-V41 HydrophobicContact CZ-CG1 3.42Å; F36-V41 VanDerWaalsContact CZ-CG1 3.42Å; F36-V41 HydrophobicContact CZ-CG2 3.67Å; F36-D45 VanDerWaalsContact CE1-OD2 3.26Å; F36-D45 WeakPolarHBondContact CE1-OD2 3.42Å; F36-D45 WeakPolarHBondContact CZ-OD2 3.33Å; F36-V181 HydrophobicContact CB-CG1 3.97Å; F36-V181 HydrophobicContact CB-CG2 4.34Å; F36-V181 HydrophobicContact CD2-CG1 3.98Å; F36-V181 HydrophobicContact CG-CG1 4.16Å
37D60.2Low74.7Confident168 Ų16873.1 Ų73.190%0.89840%0.4SS*.THydrogen-bonded Turntrans-57.8-3.9-176.6-130.613.7000115
38S61.2Low74.6Confident121 Ų12167.8 Ų67.885%0.84638%0.375SS*.THydrogen-bonded Turntrans-156.611.8172.9-152.30000115F36F36-S38 PolarHBondContact O-N 3.33Å
39R70.2Confident74.5Confident195 Ų19569.9 Ų69.974%0.73639%0.392SS*.  trans-121.7137.2-172.5-68.7-174.6-179.8-1701111.8F36F36-R39 PolarHBondContact O-N 2.97Å
40V76.7Confident74.4Confident92 Ų9275.8 Ų75.856%0.55842%0.415SS*.  trans-67.4130.2167.61790000108.4H182 A184V40-H182 WeakPolarHBondContact CA-O 3.42Å; V40-A184 HydrophobicContact CG1-CB 3.42Å; V40-A184 VanDerWaalsContact CG1-CB 3.42Å
41V78.8Confident74.6Confident1 Ų170.9 Ų70.91%0.00639%0.388CS..BIsolated β-bridgetrans-94.9115.9-177.2-170.90000109.5F36 A48 V181 H182 F183 A184F36-V41 HydrophobicContact CB-CG2 4.17Å; F36-V41 HydrophobicContact CD1-CB 4.4Å; F36-V41 HydrophobicContact CD1-CG1 4.48Å; F36-V41 HydrophobicContact CD1-CG2 3.27Å; F36-V41 HydrophobicContact CD2-CG2 3.69Å; F36-V41 HydrophobicContact CE1-CB 4.08Å; F36-V41 HydrophobicContact CE1-CG1 3.73Å; F36-V41 HydrophobicContact CE1-CG2 3.39Å; F36-V41 HydrophobicContact CE2-CG1 3.93Å; F36-V41 HydrophobicContact CE2-CG2 3.79Å; F36-V41 HydrophobicContact CG-CG2 3.45Å; F36-V41 VanDerWaalsContact CG-CG2 3.45Å; F36-V41 HydrophobicContact CZ-CB 4.17Å; F36-V41 HydrophobicContact CZ-CG1 3.42Å; F36-V41 VanDerWaalsContact CZ-CG1 3.42Å; F36-V41 HydrophobicContact CZ-CG2 3.67Å; V41-A48 HydrophobicContact CG1-CB 3.3Å; V41-V181 HydrophobicContact CG2-CG1 3.51Å; V41-H182 PolarHBondContact N-O 3.22Å; V41-F183 HydrophobicContact CB-CD1 3.72Å; V41-F183 HydrophobicContact CB-CE1 4.06Å; V41-F183 HydrophobicContact CB-CG 4.46Å; V41-F183 HydrophobicContact CG1-CD1 3.85Å; V41-F183 HydrophobicContact CG1-CE1 3.88Å; V41-F183 HydrophobicContact CG2-CD1 4.33Å; V41-F183 HydrophobicContact CG2-CE1 4.35Å; V41-A184 PolarHBondContact O-N 2.92Å
42D78Confident75.2Confident92 Ų9267.9 Ų67.949%0.49238%0.375SS..  trans-99.2172.6175.366.819.9000112.2G44 D45D42-G44 PolarHBondContact O-N 3.24Å; D42-G44 WeakPolarHBondContact OD1-CA 3.48Å; D42-G44 PolarHBondContact OD1-N 2.91Å; D42-D45 PolarHBondContact O-N 3.05Å; D42-D45 PolarHBondContact OD1-N 2.98Å
43E72.3Confident75.8Confident58 Ų5869 Ų6927%0.27138%0.383SS..THydrogen-bonded Turntrans-68.2-13.1176-71.7-166.1147.600113.5D45 R130 L185E43-D45 VanDerWaalsContact C-N 3.33Å; E43-R130 IonicContact OE1-CZ 3.98Å; E43-R130 IonicContact OE1-NE 2.69Å; E43-R130 PolarHBondContact OE1-NE 3.21Å; E43-L185 HydrophobicContact CG-CB 4.23Å; E43-L185 HydrophobicContact CG-CD2 3.69Å
44G71.8Confident76.6Confident65 Ų6565.5 Ų65.567%0.6737%0.367SS*.THydrogen-bonded Turntrans-76.2-21.2178.700000113.1D42 V46D42-G44 PolarHBondContact O-N 3.24Å; D42-G44 WeakPolarHBondContact OD1-CA 3.48Å; D42-G44 PolarHBondContact OD1-N 2.91Å; G44-V46 PolarHBondContact O-N 3.05Å
45D79.3Confident77.9Confident47 Ų4761.1 Ų61.125%0.25134%0.337SS..  trans-72115.2177.3-164.5-30000111.2F36 D42 E43 K47 A48 A49F36-D45 VanDerWaalsContact CE1-OD2 3.26Å; F36-D45 WeakPolarHBondContact CE1-OD2 3.42Å; F36-D45 WeakPolarHBondContact CZ-OD2 3.33Å; D42-D45 PolarHBondContact O-N 3.05Å; D42-D45 PolarHBondContact OD1-N 2.98Å; E43-D45 VanDerWaalsContact C-N 3.33Å; D45-K47 PolarHBondContact O-N 3.1Å; D45-K47 VanDerWaalsContact O-N 3.12Å; D45-K47 WeakPolarHBondContact OD1-CB 3.35Å; D45-K47 PolarHBondContact OD1-N 2.89Å; D45-A48 HydrophobicContact CB-CB 3.99Å; D45-A48 WeakPolarHBondContact O-CB 3.29Å; D45-A48 PolarHBondContact O-N 3.44Å; D45-A49 PolarHBondContact O-N 3.44Å
46V81.1Confident79.4Confident91 Ų9158 Ų5855%0.55232%0.32SS*.Hα-helixtrans-53.7-33.2176.7-179.70000111.9G44 R50G44-V46 PolarHBondContact O-N 3.05Å; V46-R50 VanDerWaalsContact O-CG 3.29Å; V46-R50 WeakPolarHBondContact O-CG 3.29Å; V46-R50 PolarHBondContact O-N 3.19Å; V46-R50 VanDerWaalsContact O-N 3.07Å
47K82.6Confident80.5Confident64 Ų6457.5 Ų57.528%0.27832%0.318SS..Hα-helixtrans-71.9-43.7178.7-63.4171.7-176.4167.50111.2N35 D45 A49 R50 L51N35-K47 PolarHBondContact ND2-NZ 2.96Å; N35-K47 PolarHBondContact OD1-NZ 3.43Å; N35-K47 VanDerWaalsContact OD1-NZ 3.1Å; D45-K47 PolarHBondContact O-N 3.1Å; D45-K47 VanDerWaalsContact O-N 3.12Å; D45-K47 WeakPolarHBondContact OD1-CB 3.35Å; D45-K47 PolarHBondContact OD1-N 2.89Å; K47-A49 VanDerWaalsContact C-N 3.34Å; K47-A49 PolarHBondContact O-N 3.06Å; K47-R50 WeakPolarHBondContact O-CB 3.38Å; K47-R50 PolarHBondContact O-N 2.86Å; K47-L51 PolarHBondContact O-N 3.45Å
48A83.8Confident82Confident0 Ų049.5 Ų49.50%028%0.275CS..Hα-helixtrans-61.4-44.7175.200000110.9V41 D45 R50 L51 I52V41-A48 HydrophobicContact CG1-CB 3.3Å; D45-A48 HydrophobicContact CB-CB 3.99Å; D45-A48 WeakPolarHBondContact O-CB 3.29Å; D45-A48 PolarHBondContact O-N 3.44Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 2.9Å; A48-L51 PolarHBondContact O-N 3.29Å; A48-I52 WeakPolarHBondContact O-CB 3.43Å; A48-I52 WeakPolarHBondContact O-CD1 3.11Å; A48-I52 VanDerWaalsContact O-CG1 3.26Å; A48-I52 WeakPolarHBondContact O-CG1 2.98Å; A48-I52 PolarHBondContact O-N 2.95Å
49A83.7Confident83.4Confident48 Ų4843.7 Ų43.740%0.39724%0.235SC..Hα-helixtrans-58.8-38.7175.100000112.5D45 K47 S53D45-A49 PolarHBondContact O-N 3.44Å; K47-A49 VanDerWaalsContact C-N 3.34Å; K47-A49 PolarHBondContact O-N 3.06Å; A49-S53 VanDerWaalsContact O-CB 3.22Å; A49-S53 WeakPolarHBondContact O-CB 3.34Å; A49-S53 PolarHBondContact O-N 3.29Å
50R84Confident84.3Confident125 Ų12535.7 Ų35.747%0.47221%0.206SC..Hα-helixtrans-67-43174.9-76.1174-175.8176.22.3112.8V46 K47 A48 S53 A54V46-R50 VanDerWaalsContact O-CG 3.29Å; V46-R50 WeakPolarHBondContact O-CG 3.29Å; V46-R50 PolarHBondContact O-N 3.19Å; V46-R50 VanDerWaalsContact O-N 3.07Å; K47-R50 WeakPolarHBondContact O-CB 3.38Å; K47-R50 PolarHBondContact O-N 2.86Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 2.9Å; R50-S53 PolarHBondContact O-N 3Å; R50-A54 WeakPolarHBondContact O-CB 3.42Å; R50-A54 PolarHBondContact O-N 2.63Å
51L88.2Confident84.7Confident0 Ų032.6 Ų32.60%019%0.185CC..Hα-helixtrans-62-48.6175.9174.464.8000110.8S28 T29 C32 K47 A48 S53 A54 I55 L178 F183S28-L51 WeakPolarHBondContact OG-CD1 3.2Å; T29-L51 WeakPolarHBondContact OG1-CD1 3.31Å; C32-L51 HydrophobicContact CB-CD2 4.18Å; K47-L51 PolarHBondContact O-N 3.45Å; A48-L51 PolarHBondContact O-N 3.29Å; L51-S53 VanDerWaalsContact C-N 3.33Å; L51-S53 PolarHBondContact O-N 2.84Å; L51-A54 WeakPolarHBondContact O-CB 3.42Å; L51-A54 PolarHBondContact O-N 3.17Å; L51-A54 VanDerWaalsContact O-N 3.13Å; L51-I55 HydrophobicContact CD1-CD1 3.96Å; L51-I55 HydrophobicContact CD1-CG1 4.28Å; L51-I55 HydrophobicContact CG-CD1 3.97Å; L51-I55 WeakPolarHBondContact O-CG1 3.36Å; L51-I55 PolarHBondContact O-N 3.36Å; L51-L178 HydrophobicContact CD1-CD1 4.39Å; L51-L178 HydrophobicContact CD2-CD1 3.95Å; L51-L178 HydrophobicContact CD2-CD2 3.62Å; L51-L178 HydrophobicContact CD2-CG 4.45Å; L51-F183 HydrophobicContact CD2-CE1 4.46Å; L51-F183 HydrophobicContact CD2-CZ 4.03Å
52I89.9Confident84.8Confident7 Ų732.9 Ų32.94%0.03619%0.188CC..Hα-helixtrans-59.8-45.5176.9-65.4162.5000110.1A48 A54 I55 E56 L129 L133 L185A48-I52 WeakPolarHBondContact O-CB 3.43Å; A48-I52 WeakPolarHBondContact O-CD1 3.11Å; A48-I52 VanDerWaalsContact O-CG1 3.26Å; A48-I52 WeakPolarHBondContact O-CG1 2.98Å; A48-I52 PolarHBondContact O-N 2.95Å; I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 3.15Å; I52-I55 PolarHBondContact O-N 3.19Å; I52-E56 HydrophobicContact CG2-CG 4.17Å; I52-E56 WeakPolarHBondContact O-CB 3.3Å; I52-E56 WeakPolarHBondContact O-CG 3.27Å; I52-E56 PolarHBondContact O-N 2.85Å; I52-L129 HydrophobicContact CG2-CD2 4.43Å; I52-L133 HydrophobicContact CG1-CD1 4.19Å; I52-L185 HydrophobicContact CD1-CD1 3.62Å; I52-L185 HydrophobicContact CD1-CD2 3.66Å; I52-L185 HydrophobicContact CD1-CG 4.29Å; I52-L185 HydrophobicContact CG1-CD1 4.3Å
53S87.8Confident85Confident24 Ų2429.1 Ų29.117%0.16817%0.168CC..Hα-helixtrans-61.4-36.1176.21780000112.9A49 R50 L51 S57A49-S53 VanDerWaalsContact O-CB 3.22Å; A49-S53 WeakPolarHBondContact O-CB 3.34Å; A49-S53 PolarHBondContact O-N 3.29Å; R50-S53 PolarHBondContact O-N 3Å; L51-S53 VanDerWaalsContact C-N 3.33Å; L51-S53 PolarHBondContact O-N 2.84Å; S53-S57 VanDerWaalsContact O-CB 3.32Å; S53-S57 WeakPolarHBondContact O-CB 3.34Å; S53-S57 PolarHBondContact O-N 2.93Å; S53-S57 PolarHBondContact O-OG 3.41Å
54A89.3Confident85.2Confident1 Ų129.8 Ų29.81%0.00817%0.168CC..Hα-helixtrans-68.8-44.1175.600000111.6K24 L25 R50 L51 I52 S57 A58K24-A54 HydrophobicContact CD-CB 4.42Å; K24-A54 HydrophobicContact CG-CB 4.15Å; L25-A54 HydrophobicContact CD2-CB 3.87Å; L25-A54 HydrophobicContact CG-CB 4.27Å; R50-A54 WeakPolarHBondContact O-CB 3.42Å; R50-A54 PolarHBondContact O-N 2.63Å; L51-A54 WeakPolarHBondContact O-CB 3.42Å; L51-A54 PolarHBondContact O-N 3.17Å; L51-A54 VanDerWaalsContact O-N 3.13Å; I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 3.15Å; A54-S57 PolarHBondContact O-N 3.16Å; A54-A58 PolarHBondContact O-N 3.37Å
55I92.6Very high84.9Confident0 Ų032.9 Ų32.90%016%0.159CC..Hα-helixtrans-65.2-46.1176.1-62.6168.3000110.8L25 L51 I52 S57 A58 L59 L129 L133 F138 L178L25-I55 HydrophobicContact CD2-CB 4.39Å; L25-I55 HydrophobicContact CD2-CG1 3.73Å; L51-I55 HydrophobicContact CD1-CD1 3.96Å; L51-I55 HydrophobicContact CD1-CG1 4.28Å; L51-I55 HydrophobicContact CG-CD1 3.97Å; L51-I55 WeakPolarHBondContact O-CG1 3.36Å; L51-I55 PolarHBondContact O-N 3.36Å; I52-I55 PolarHBondContact O-N 3.19Å; I55-S57 VanDerWaalsContact C-N 3.32Å; I55-S57 PolarHBondContact O-N 3.36Å; I55-A58 PolarHBondContact O-N 3.28Å; I55-A58 VanDerWaalsContact O-N 3.16Å; I55-L59 HydrophobicContact CG2-CD1 3.83Å; I55-L59 HydrophobicContact CG2-CG 4.22Å; I55-L59 WeakPolarHBondContact O-CG 3.33Å; I55-L59 PolarHBondContact O-N 2.97Å; I55-L129 HydrophobicContact CB-CD2 4.42Å; I55-L129 HydrophobicContact CG2-CD1 3.72Å; I55-L129 HydrophobicContact CG2-CD2 3.97Å; I55-L133 HydrophobicContact CD1-CD2 4.46Å; I55-F138 HydrophobicContact CG2-CE1 4.15Å; I55-F138 HydrophobicContact CG2-CE2 4.12Å; I55-F138 HydrophobicContact CG2-CZ 3.57Å; I55-L178 HydrophobicContact CD1-CD1 4.17Å
56E91.6Very high83.5Confident5 Ų534.2 Ų34.22%0.02317%0.169CC..Hα-helixtrans-58.1-45173.7-71.8-177.9166.400110.2I52 A58 L59 F60 R126 L129 R130 F196I52-E56 HydrophobicContact CG2-CG 4.17Å; I52-E56 WeakPolarHBondContact O-CB 3.3Å; I52-E56 WeakPolarHBondContact O-CG 3.27Å; I52-E56 PolarHBondContact O-N 2.85Å; E56-A58 VanDerWaalsContact C-N 3.28Å; E56-A58 PolarHBondContact O-N 2.94Å; E56-L59 PolarHBondContact O-N 2.87Å; E56-F60 HydrophobicContact CB-CD2 4.29Å; E56-F60 WeakPolarHBondContact O-CB 3.39Å; E56-F60 VanDerWaalsContact O-CD2 3.25Å; E56-F60 WeakPolarHBondContact O-CD2 3.33Å; E56-F60 PolarHBondContact O-N 2.92Å; E56-R126 VanDerWaalsContact CD-NE 3.28Å; E56-R126 IonicContact OE1-CZ 3.61Å; E56-R126 IonicContact OE1-NE 3.06Å; E56-R126 PolarHBondContact OE1-NE 2.95Å; E56-R126 IonicContact OE1-NH2 3.14Å; E56-R126 PolarHBondContact OE1-NH2 2.93Å; E56-R126 IonicContact OE2-CZ 3.5Å; E56-R126 IonicContact OE2-NE 2.86Å; E56-R126 PolarHBondContact OE2-NE 3.28Å; E56-R126 IonicContact OE2-NH2 3.32Å; E56-R126 PolarHBondContact OE2-NH2 3.03Å; E56-L129 HydrophobicContact CG-CD2 3.52Å; E56-R130 IonicContact OE1-CZ 3.96Å; E56-R130 IonicContact OE1-NH1 3.53Å; E56-R130 PolarHBondContact OE1-NH1 3.18Å; E56-R130 IonicContact OE1-NH2 2.67Å; E56-F196 HydrophobicContact CB-CD2 3.83Å; E56-F196 HydrophobicContact CB-CE1 4.35Å; E56-F196 HydrophobicContact CB-CE2 3.3Å; E56-F196 HydrophobicContact CB-CZ 3.61Å; E56-F196 HydrophobicContact CG-CE2 4.24Å; E56-F196 VanDerWaalsContact OE2-CD2 3.27Å; E56-F196 WeakPolarHBondContact OE2-CD2 3.22Å; E56-F196 WeakPolarHBondContact OE2-CE2 3.27Å
57S87.9Confident81.7Confident3 Ų334.3 Ų34.32%0.02116%0.16CC..Hα-helixtrans-58.7-40.2176.6-62.10000112.6S53 A54 I55 H61 F196 S198S53-S57 VanDerWaalsContact O-CB 3.32Å; S53-S57 WeakPolarHBondContact O-CB 3.34Å; S53-S57 PolarHBondContact O-N 2.93Å; S53-S57 PolarHBondContact O-OG 3.41Å; A54-S57 PolarHBondContact O-N 3.16Å; I55-S57 VanDerWaalsContact C-N 3.32Å; I55-S57 PolarHBondContact O-N 3.36Å; S57-H61 WeakPolarHBondContact O-CB 3.14Å; S57-H61 PolarHBondContact O-N 3.16Å; S57-H61 VanDerWaalsContact O-N 3.07Å; S57-F196 VanDerWaalsContact OG-CZ 3.32Å; S57-F196 WeakPolarHBondContact OG-CZ 3.47Å; S57-S198 PolarHBondContact OG-OG 2.84Å
58A90.2Very high79.7Confident0 Ų034.6 Ų34.60%017%0.167CC..Hα-helixtrans-70-40.5177.100000112.9L25 A54 I55 E56 F161L25-A58 HydrophobicContact CD1-CB 3.78Å; A54-A58 PolarHBondContact O-N 3.37Å; I55-A58 PolarHBondContact O-N 3.28Å; I55-A58 VanDerWaalsContact O-N 3.16Å; E56-A58 VanDerWaalsContact C-N 3.28Å; E56-A58 PolarHBondContact O-N 2.94Å; A58-F161 HydrophobicContact CB-CD1 3.72Å; A58-F161 HydrophobicContact CB-CE1 3.86Å; A58-F161 HydrophobicContact CB-CG 4.1Å; A58-F161 HydrophobicContact CB-CZ 4.32Å
59L91.8Very high77.3Confident0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-69.2-38.4178.8-71170.9000112.7I55 E56 F96 W128 L129 F138 H156 M162I55-L59 HydrophobicContact CG2-CD1 3.83Å; I55-L59 HydrophobicContact CG2-CG 4.22Å; I55-L59 WeakPolarHBondContact O-CG 3.33Å; I55-L59 PolarHBondContact O-N 2.97Å; E56-L59 PolarHBondContact O-N 2.87Å; L59-F96 HydrophobicContact CB-CE1 4.28Å; L59-F96 HydrophobicContact CB-CZ 4.31Å; L59-F96 HydrophobicContact CD2-CZ 4.17Å; L59-W128 HydrophobicContact CD1-CZ3 4.27Å; L59-L129 HydrophobicContact CD1-CD1 4.1Å; L59-L129 HydrophobicContact CD1-CD2 4.04Å; L59-F138 HydrophobicContact CD1-CE2 4.27Å; L59-H156 PolarHBondContact O-NE2 2.63Å; L59-M162 HydrophobicContact CD2-CE 3.77Å; L59-M162 HydrophobicContact CD2-SD 3.73Å
60F88.7Confident75Confident27 Ų2745.3 Ų45.312%0.11822%0.215CC..Hα-helixtrans-88.7-9.2-179.3-72.2-88.2000112.7E56 G62 L63 V122 I125 R126 F196E56-F60 HydrophobicContact CB-CD2 4.29Å; E56-F60 WeakPolarHBondContact O-CB 3.39Å; E56-F60 VanDerWaalsContact O-CD2 3.25Å; E56-F60 WeakPolarHBondContact O-CD2 3.33Å; E56-F60 PolarHBondContact O-N 2.92Å; F60-G62 PolarHBondContact O-N 2.78Å; F60-L63 HydrophobicContact CB-CD1 3.98Å; F60-L63 HydrophobicContact CD1-CD1 3.2Å; F60-L63 HydrophobicContact CE1-CD1 3.95Å; F60-L63 HydrophobicContact CG-CD1 3.94Å; F60-L63 PolarHBondContact O-N 2.99Å; F60-V122 HydrophobicContact CE1-CG1 4.1Å; F60-V122 HydrophobicContact CZ-CG1 4.09Å; F60-I125 HydrophobicContact CE1-CD1 4.4Å; F60-I125 HydrophobicContact CE1-CG2 4.46Å; F60-I125 HydrophobicContact CE2-CG2 4.13Å; F60-I125 HydrophobicContact CZ-CB 4.05Å; F60-I125 HydrophobicContact CZ-CD1 4.49Å; F60-I125 HydrophobicContact CZ-CG2 3.65Å; F60-R126 HydrophobicContact CE2-CG 3.88Å; F60-R126 HydrophobicContact CZ-CG 3.94Å; F60-F196 HydrophobicContact CB-CD1 4.08Å; F60-F196 HydrophobicContact CD2-CB 4.43Å; F60-F196 HydrophobicContact CD2-CD1 4.28Å; F60-F196 HydrophobicContact CD2-CG 4.24Å; F60-F196 HydrophobicContact CG-CB 4.49Å; F60-F196 HydrophobicContact CG-CD1 4.3Å
61H86.3Confident72.8Confident27 Ų2744.8 Ų44.813%0.12523%0.228CC..THydrogen-bonded Turntrans-70114.6179.6175.9-105.7000111.9V17 L21 S57 W159 A160 F161V17-H61 WeakPolarHBondContact CG1-NE2 3.32Å; L21-H61 HydrophobicContact CD1-CB 3.69Å; S57-H61 WeakPolarHBondContact O-CB 3.14Å; S57-H61 PolarHBondContact O-N 3.16Å; S57-H61 VanDerWaalsContact O-N 3.07Å; H61-W159 AromaticContact CE1-CE3 3.86Å; H61-W159 AromaticContact CE1-CZ3 3.88Å; H61-W159 AromaticContact NE2-CE3 3.99Å; H61-W159 AromaticContact NE2-CZ3 3.63Å; H61-A160 VanDerWaalsContact O-CB 3.26Å; H61-A160 WeakPolarHBondContact O-CB 3.33Å; H61-F161 HydrophobicContact CB-CB 4.1Å; H61-F161 WeakPolarHBondContact ND1-CB 3.36Å; H61-F161 PolarHBondContact ND1-N 2.79Å; H61-F161 PolarHBondContact O-N 2.79Å
62G80.5Confident70.5Confident6 Ų652.9 Ų52.96%0.06227%0.27CS..THydrogen-bonded Turntrans80.825.4179.400000114.2F60 R64 H156 E157F60-G62 PolarHBondContact O-N 2.78Å; G62-R64 PolarHBondContact O-N 2.95Å; G62-H156 CarbonylContact O-C 3.49Å; G62-H156 VanDerWaalsContact O-CA 3.27Å; G62-H156 WeakPolarHBondContact O-CA 3.17Å; G62-E157 PolarHBondContact O-N 3.12Å
63L81.9Confident67.9Low14 Ų1455.5 Ų55.57%0.07328%0.284CS..BIsolated β-bridgetrans-58.9134.2164-76.8170000110.7F60 F96 S155 H156F60-L63 HydrophobicContact CB-CD1 3.98Å; F60-L63 HydrophobicContact CD1-CD1 3.2Å; F60-L63 HydrophobicContact CE1-CD1 3.95Å; F60-L63 HydrophobicContact CG-CD1 3.94Å; F60-L63 PolarHBondContact O-N 2.99Å; L63-F96 HydrophobicContact CD1-CD1 4.3Å; L63-F96 HydrophobicContact CD2-CB 3.74Å; L63-F96 HydrophobicContact CD2-CD1 3.68Å; L63-F96 HydrophobicContact CD2-CE1 4.45Å; L63-F96 HydrophobicContact CD2-CG 3.8Å; L63-S155 CarbonylContact C-O 3.5Å; L63-S155 WeakPolarHBondContact CA-O 3.46Å; L63-S155 WeakPolarHBondContact CD2-O 3.39Å; L63-H156 VanDerWaalsContact CD2-CE1 3.44Å; L63-H156 WeakPolarHBondContact CD2-CE1 3.4Å
64R75.8Confident65.6Low71 Ų7162.5 Ų62.527%0.26831%0.311SS..  trans-59.8147171.5-62-159.7177.7-85.7-3.5109.1G62 C92 Y153 K154 S155 H156 E157G62-R64 PolarHBondContact O-N 2.95Å; R64-C92 HydrophobicContact CB-CB 4.39Å; R64-C92 WeakPolarHBondContact O-CB 3.25Å; R64-C92 PolarHBondContact O-N 3.23Å; R64-Y153 PolarHBondContact NE-O 2.91Å; R64-Y153 PolarHBondContact NH2-O 3.4Å; R64-K154 WeakPolarHBondContact CD-O 3.45Å; R64-S155 PolarHBondContact N-O 2.8Å; R64-H156 PolarHBondContact NE-O 2.99Å; R64-H156 PolarHBondContact NH2-O 3.02Å; R64-E157 HydrophobicContact CG-CG 4.18Å; R64-E157 WeakPolarHBondContact CG-OE1 3.36Å; R64-E157 IonicContact CZ-OE1 3.01Å; R64-E157 IonicContact CZ-OE2 2.85Å; R64-E157 IonicContact NH1-OE1 3.56Å; R64-E157 PolarHBondContact NH1-OE1 2.83Å; R64-E157 IonicContact NH1-OE2 3.91Å; R64-E157 PolarHBondContact NH1-OE2 3.07Å; R64-E157 IonicContact NH2-OE2 3.92Å
65R65.4Low63.4Low130 Ų13070.6 Ų70.649%0.49135%0.349SS..EExtended strand (participates in β ladder)trans-117129.1175.9-58179.2175.5163-4.3108.8D86 T89 A90R65-D86 WeakPolarHBondContact CD-OD2 3.45Å; R65-D86 IonicContact CZ-OD2 2.82Å; R65-D86 IonicContact NE-OD2 3.74Å; R65-D86 IonicContact NH1-OD2 2.66Å; R65-D86 PolarHBondContact NH1-OD2 2.97Å; R65-T89 WeakPolarHBondContact CB-OG1 3.37Å; R65-A90 WeakPolarHBondContact CA-O 3.3Å
66T50.9Low60.6Low75 Ų7573.6 Ų73.646%0.4637%0.367SS..EExtended strand (participates in β ladder)trans-102.7140176.543.40000109.7V68 T89 A90 C92T66-V68 PolarHBondContact O-N 3.42Å; T66-T89 CarbonylContact O-C 3.56Å; T66-T89 VanDerWaalsContact O-CA 3.3Å; T66-T89 WeakPolarHBondContact O-CA 3.46Å; T66-A90 PolarHBondContact N-O 3.19Å; T66-A90 PolarHBondContact O-N 2.86Å; T66-C92 HydrophobicContact CG2-CB 4.23Å
67Y42.5Very low57.9Low94 Ų9473.9 Ų73.937%0.36937%0.369SS..EExtended strand (participates in β ladder)trans-64.6129.9177-173-99.3000111T77 T89Y67-T77 HydrophobicContact CE2-CG2 3.38Å; Y67-T77 WeakPolarHBondContact OH-CB 3.34Å; Y67-T77 WeakPolarHBondContact OH-CG2 3.36Å; Y67-T77 PolarHBondContact OH-OG1 3.37Å; Y67-T89 HydrophobicContact CD2-CG2 4.46Å
68V40.4Very low55.3Low70 Ų7075.9 Ų75.942%0.42439%0.39SS..PPolyproline II helixtrans-84.8119.2166.8-87.50000109.1T66 M70 G88 A90T66-V68 PolarHBondContact O-N 3.42Å; V68-M70 PolarHBondContact O-N 2.98Å; V68-G88 WeakPolarHBondContact CG2-O 3.42Å; V68-G88 PolarHBondContact N-O 3.38Å; V68-A90 HydrophobicContact CG1-CB 4.31Å
69D34.9Very low53.2Low151 Ų15180.4 Ų80.481%0.80741%0.41SS*.  trans-65.977.4170-90.4-29.6000110.3
70M33.6Very low50.3Low121 Ų12181.8 Ų81.860%0.59642%0.417SS*.  trans-93.5121.6168.6-99.6-64.8-131.700109.8V68 L72 I73V68-M70 PolarHBondContact O-N 2.98Å; M70-L72 PolarHBondContact O-N 3.24Å; M70-L72 VanDerWaalsContact O-N 3.11Å; M70-I73 PolarHBondContact O-N 2.88Å
71P38Very low47.8Very low114 Ų11484.1 Ų84.174%0.7444%0.437SS*.G310 helixtrans-57.9-30.3-174-25.532.4000114.6I73P71-I73 VanDerWaalsContact C-N 3.34Å; P71-I73 PolarHBondContact O-N 3.47Å
72L40.9Very low45.2Very low170 Ų17091.1 Ų91.189%0.8947%0.467SS*.G310 helixtrans-77.4-14.7-169.5-140.888.7000114.3M70M70-L72 PolarHBondContact O-N 3.24Å; M70-L72 VanDerWaalsContact O-N 3.11Å
73I34.6Very low42.9Very low62 Ų6294 Ų9432%0.31848%0.481SS..G310 helixtrans-114.50.3-169.3-43.1-177.6000112.5M70 P71 E75 V76 T77M70-I73 PolarHBondContact O-N 2.88Å; P71-I73 VanDerWaalsContact C-N 3.34Å; P71-I73 PolarHBondContact O-N 3.47Å; I73-E75 PolarHBondContact O-N 3.34Å; I73-V76 HydrophobicContact CG2-CB 3.87Å; I73-V76 HydrophobicContact CG2-CG2 4.43Å; I73-V76 PolarHBondContact O-N 3.27Å; I73-T77 HydrophobicContact CB-CG2 4.34Å; I73-T77 HydrophobicContact CG2-CG2 3.75Å; I73-T77 PolarHBondContact O-N 2.97Å; I73-T77 PolarHBondContact O-OG1 2.93Å
74K38.9Very low40.6Very low171 Ų17196.3 Ų96.374%0.74349%0.493SS*.Hα-helixtrans-51.2-30.4-175.2-158.4176.3-174.6175.80114.4T77K74-T77 WeakPolarHBondContact CA-OG1 3.35Å; K74-T77 PolarHBondContact O-OG1 2.96Å
75E44.1Very low38.7Very low171 Ų17193.6 Ų93.680%0.79948%0.483SS*.Hα-helixtrans-76.5-35.4178.4-141.7173.3-158.800113.1I73I73-E75 PolarHBondContact O-N 3.34Å
76V34.3Very low37.4Very low63 Ų6391 Ų9138%0.38248%0.48SS..Hα-helixtrans-83.2-32.4179.7-172.90000110.9I73 F79 M80I73-V76 HydrophobicContact CG2-CB 3.87Å; I73-V76 HydrophobicContact CG2-CG2 4.43Å; I73-V76 PolarHBondContact O-N 3.27Å; V76-F79 WeakPolarHBondContact O-CB 3.44Å; V76-F79 PolarHBondContact O-N 3.45Å; V76-M80 HydrophobicContact CG1-CE 4.19Å; V76-M80 HydrophobicContact CG1-CG 4.16Å; V76-M80 HydrophobicContact CG1-SD 4.05Å; V76-M80 WeakPolarHBondContact O-CG 3.46Å; V76-M80 PolarHBondContact O-N 3.32Å
77T33.5Very low36.7Very low11 Ų1189 Ų897%0.06747%0.467CS..Hα-helixtrans-76.9-28.8-176.442.20000114.2Y67 I73 K74 F79 M80 S81Y67-T77 HydrophobicContact CE2-CG2 3.38Å; Y67-T77 WeakPolarHBondContact OH-CB 3.34Å; Y67-T77 WeakPolarHBondContact OH-CG2 3.36Å; Y67-T77 PolarHBondContact OH-OG1 3.37Å; I73-T77 HydrophobicContact CB-CG2 4.34Å; I73-T77 HydrophobicContact CG2-CG2 3.75Å; I73-T77 PolarHBondContact O-N 2.97Å; I73-T77 PolarHBondContact O-OG1 2.93Å; K74-T77 WeakPolarHBondContact CA-OG1 3.35Å; K74-T77 PolarHBondContact O-OG1 2.96Å; T77-F79 PolarHBondContact O-N 3.36Å; T77-M80 PolarHBondContact O-N 3.35Å; T77-S81 WeakPolarHBondContact O-CB 3.3Å; T77-S81 PolarHBondContact O-N 2.83Å; T77-S81 PolarHBondContact O-OG 3.27Å
78G34.4Very low36.2Very low45 Ų4585.8 Ų85.846%0.46446%0.463SS..Hα-helixtrans-59.6-27.4167.800000113S81G78-S81 PolarHBondContact O-OG 2.98Å
79F44.8Very low36.3Very low96 Ų9684.1 Ų84.142%0.42145%0.453SS..Hα-helixtrans-88.4-40.3174.5-177.2-100.9000112.5V76 T77 S81 K82 L83V76-F79 WeakPolarHBondContact O-CB 3.44Å; V76-F79 PolarHBondContact O-N 3.45Å; T77-F79 PolarHBondContact O-N 3.36Å; F79-S81 VanDerWaalsContact C-N 3.35Å; F79-S81 PolarHBondContact O-N 3.38Å; F79-K82 WeakPolarHBondContact O-CA 3.08Å; F79-K82 WeakPolarHBondContact O-CB 3.46Å; F79-K82 PolarHBondContact O-N 2.96Å; F79-L83 HydrophobicContact CD1-CD1 4.21Å; F79-L83 HydrophobicContact CE1-CD1 3.55Å; F79-L83 HydrophobicContact CE1-CG 4.25Å; F79-L83 HydrophobicContact CZ-CD1 4.11Å; F79-L83 PolarHBondContact O-N 3.38Å
80M32.4Very low37Very low29 Ų2978.8 Ų78.814%0.14343%0.429CS..Hα-helixtrans-73-26.1-176.5-68.9-158.8158.900113.9V76 T77 K82 L83 N84 L85 V87V76-M80 HydrophobicContact CG1-CE 4.19Å; V76-M80 HydrophobicContact CG1-CG 4.16Å; V76-M80 HydrophobicContact CG1-SD 4.05Å; V76-M80 WeakPolarHBondContact O-CG 3.46Å; V76-M80 PolarHBondContact O-N 3.32Å; T77-M80 PolarHBondContact O-N 3.35Å; M80-K82 PolarHBondContact O-N 2.83Å; M80-L83 CarbonylContact O-C 3.57Å; M80-L83 PolarHBondContact O-N 2.93Å; M80-N84 PolarHBondContact O-N 2.68Å; M80-L85 HydrophobicContact CB-CB 4.17Å; M80-L85 HydrophobicContact CE-CD2 3.63Å; M80-L85 HydrophobicContact CG-CD2 4.14Å; M80-L85 PolarHBondContact O-N 3.45Å; M80-L85 HydrophobicContact SD-CD2 3.52Å; M80-L85 VanDerWaalsContact SD-CD2 3.52Å; M80-L85 HydrophobicContact SD-CG 4.17Å; M80-V87 HydrophobicContact SD-CB 3.6Å; M80-V87 HydrophobicContact SD-CG1 4.1Å; M80-V87 HydrophobicContact SD-CG2 3.37Å; M80-V87 WeakPolarHBondContact SD-CG2 3.32Å
81S34.6Very low38.1Very low75 Ų7575.9 Ų75.952%0.52442%0.419SS..G310 helixtrans-63-26.4165.251.70000113.4T77 G78 F79 L83T77-S81 WeakPolarHBondContact O-CB 3.3Å; T77-S81 PolarHBondContact O-N 2.83Å; T77-S81 PolarHBondContact O-OG 3.27Å; G78-S81 PolarHBondContact O-OG 2.98Å; F79-S81 VanDerWaalsContact C-N 3.35Å; F79-S81 PolarHBondContact O-N 3.38Å; S81-L83 VanDerWaalsContact C-N 3.32Å
82K32.1Very low39.4Very low174 Ų17471 Ų7176%0.75739%0.388SS*.G310 helixtrans-77.6-15.7172.3-70.6-180176.81770113.5F79 M80F79-K82 WeakPolarHBondContact O-CA 3.08Å; F79-K82 WeakPolarHBondContact O-CB 3.46Å; F79-K82 PolarHBondContact O-N 2.96Å; M80-K82 PolarHBondContact O-N 2.83Å
83L32.8Very low41.1Very low68 Ų6863.9 Ų63.936%0.35635%0.351SS..G310 helixtrans-101.38.5174.9-64.7-179.1000112.8F79 M80 S81 L85 S410F79-L83 HydrophobicContact CD1-CD1 4.21Å; F79-L83 HydrophobicContact CE1-CD1 3.55Å; F79-L83 HydrophobicContact CE1-CG 4.25Å; F79-L83 HydrophobicContact CZ-CD1 4.11Å; F79-L83 PolarHBondContact O-N 3.38Å; M80-L83 CarbonylContact O-C 3.57Å; M80-L83 PolarHBondContact O-N 2.93Å; S81-L83 VanDerWaalsContact C-N 3.32Å; L83-L85 HydrophobicContact CB-CB 4.11Å; L83-L85 PolarHBondContact O-N 2.87Å; L83-L85 VanDerWaalsContact O-N 3.15Å; L83-S410 PolarHBondContact O-OG 3.47Å; L83-S410 VanDerWaalsContact O-OG 3.04Å
84N33.6Very low43.4Very low61 Ų6164.4 Ų64.433%0.32636%0.357SS..THydrogen-bonded Turntrans48.636-169.5-74.1-22.8000112.3N6 M80N6-N84 WeakPolarHBondContact CB-OD1 3.09Å; N6-N84 PolarHBondContact O-ND2 2.8Å; N6-N84 VanDerWaalsContact O-ND2 3.11Å; N6-N84 PolarHBondContact O-OD1 2.77Å; M80-N84 PolarHBondContact O-N 2.68Å
85L36.3Very low45.6Very low14 Ų1459 Ų597%0.07334%0.335CS..  trans-104112.5-175.1-176.263.6000109.4M80 L83 V87 S410 V413 A414M80-L85 HydrophobicContact CB-CB 4.17Å; M80-L85 HydrophobicContact CE-CD2 3.63Å; M80-L85 HydrophobicContact CG-CD2 4.14Å; M80-L85 PolarHBondContact O-N 3.45Å; M80-L85 HydrophobicContact SD-CD2 3.52Å; M80-L85 VanDerWaalsContact SD-CD2 3.52Å; M80-L85 HydrophobicContact SD-CG 4.17Å; L83-L85 HydrophobicContact CB-CB 4.11Å; L83-L85 PolarHBondContact O-N 2.87Å; L83-L85 VanDerWaalsContact O-N 3.15Å; L85-V87 HydrophobicContact CD2-CG2 4.34Å; L85-V87 HydrophobicContact CG-CG2 4.15Å; L85-V87 PolarHBondContact O-N 2.98Å; L85-S410 WeakPolarHBondContact CD1-O 3.46Å; L85-V413 HydrophobicContact CD1-CB 4.08Å; L85-V413 HydrophobicContact CD1-CG1 4Å; L85-V413 HydrophobicContact CD2-CB 4.31Å; L85-V413 HydrophobicContact CD2-CG1 3.69Å; L85-V413 HydrophobicContact CG-CG1 4.43Å; L85-A414 HydrophobicContact CD1-CB 4.41Å
86D37.4Very low47.9Very low77 Ų7750.9 Ų50.941%0.41230%0.297SS..  trans-70.743.1-174.6-82.4-23.3000114.5R65 G88 T89R65-D86 WeakPolarHBondContact CD-OD2 3.45Å; R65-D86 IonicContact CZ-OD2 2.82Å; R65-D86 IonicContact NE-OD2 3.74Å; R65-D86 IonicContact NH1-OD2 2.66Å; R65-D86 PolarHBondContact NH1-OD2 2.97Å; D86-G88 PolarHBondContact O-N 3.42Å; D86-T89 HydrophobicContact CB-CG2 4.42Å; D86-T89 VanDerWaalsContact CB-OG1 3.31Å; D86-T89 WeakPolarHBondContact CB-OG1 3.43Å; D86-T89 PolarHBondContact O-OG1 3.49Å
87V35.9Very low50.6Low32 Ų3248 Ų4819%0.19428%0.279CS..THydrogen-bonded Turntrans-74.2117.6172.2168.30000109.1M80 L85M80-V87 HydrophobicContact SD-CB 3.6Å; M80-V87 HydrophobicContact SD-CG1 4.1Å; M80-V87 HydrophobicContact SD-CG2 3.37Å; M80-V87 WeakPolarHBondContact SD-CG2 3.32Å; L85-V87 HydrophobicContact CD2-CG2 4.34Å; L85-V87 HydrophobicContact CG-CG2 4.15Å; L85-V87 PolarHBondContact O-N 2.98Å
88G31.7Very low53.3Low27 Ų2751.2 Ų51.228%0.27830%0.295SS..THydrogen-bonded Turntrans8026.2-179.500000113.7V68 D86V68-G88 WeakPolarHBondContact CG2-O 3.42Å; V68-G88 PolarHBondContact N-O 3.38Å; D86-G88 PolarHBondContact O-N 3.42Å
89T43.6Very low56Low35 Ų3549.5 Ų49.522%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-100.7134164.766.70000109.5R65 T66 Y67 D86R65-T89 WeakPolarHBondContact CB-OG1 3.37Å; T66-T89 CarbonylContact O-C 3.56Å; T66-T89 VanDerWaalsContact O-CA 3.3Å; T66-T89 WeakPolarHBondContact O-CA 3.46Å; Y67-T89 HydrophobicContact CD2-CG2 4.46Å; D86-T89 HydrophobicContact CB-CG2 4.42Å; D86-T89 VanDerWaalsContact CB-OG1 3.31Å; D86-T89 WeakPolarHBondContact CB-OG1 3.43Å; D86-T89 PolarHBondContact O-OG1 3.49Å
90A49.1Very low58.3Low38 Ų3845 Ų4531%0.31426%0.256SS..EExtended strand (participates in β ladder)trans-96.7140.7168.500000107.9R65 T66 V68 C92R65-A90 WeakPolarHBondContact CA-O 3.3Å; T66-A90 PolarHBondContact N-O 3.19Å; T66-A90 PolarHBondContact O-N 2.86Å; V68-A90 HydrophobicContact CG1-CB 4.31Å; A90-C92 PolarHBondContact O-N 3.27Å
91P57.5Low61.1Low60 Ų6046.1 Ų46.139%0.3926%0.26SS..EExtended strand (participates in β ladder)trans-52.4136.4167.919.9-27.1000109.4D93P91-D93 WeakPolarHBondContact CG-OD2 3.47Å; P91-D93 PolarHBondContact O-N 3.47Å
92C65.2Low63.8Low13 Ų1346.1 Ų46.19%0.08826%0.261CS..  trans-8055.2-178.1-156.30000110.1R64 T66 A90 T94 E95 F96R64-C92 HydrophobicContact CB-CB 4.39Å; R64-C92 WeakPolarHBondContact O-CB 3.25Å; R64-C92 PolarHBondContact O-N 3.23Å; T66-C92 HydrophobicContact CG2-CB 4.23Å; A90-C92 PolarHBondContact O-N 3.27Å; C92-T94 PolarHBondContact O-N 2.84Å; C92-E95 PolarHBondContact O-N 3.49Å; C92-E95 VanDerWaalsContact O-N 3.14Å; C92-E95 WeakPolarHBondContact SG-CG 3.38Å; C92-F96 PolarHBondContact O-N 2.79Å
93D75.6Confident66.6Low19 Ų1938.9 Ų38.910%0.10223%0.231CC..Hα-helixtrans-60.2-28.9-178.6-55.7-57.9000111P91 F96 W97 D121 V122 I125P91-D93 WeakPolarHBondContact CG-OD2 3.47Å; P91-D93 PolarHBondContact O-N 3.47Å; D93-F96 PolarHBondContact O-N 3.21Å; D93-W97 VanDerWaalsContact O-CB 3.32Å; D93-W97 WeakPolarHBondContact O-CB 3.44Å; D93-W97 PolarHBondContact O-N 2.85Å; D93-D121 HydrophobicContact CB-CB 3.87Å; D93-V122 HydrophobicContact CB-CG2 3.87Å; D93-V122 WeakPolarHBondContact OD2-CG2 3.31Å; D93-I125 HydrophobicContact CB-CD1 4.21Å
94T83Confident69.4Low74 Ų7436.7 Ų36.745%0.45422%0.219SC..Hα-helixtrans-60.7-48175.4-53.20000112.2C92 F96 W97 L98 D121C92-T94 PolarHBondContact O-N 2.84Å; T94-F96 VanDerWaalsContact C-N 3.31Å; T94-F96 PolarHBondContact O-N 3.05Å; T94-W97 PolarHBondContact O-N 3.4Å; T94-L98 HydrophobicContact CG2-CD1 4.36Å; T94-L98 VanDerWaalsContact O-CG 3.24Å; T94-L98 WeakPolarHBondContact O-CG 3.11Å; T94-L98 PolarHBondContact O-N 3.39Å; T94-D121 VanDerWaalsContact CA-OD2 3.27Å; T94-D121 WeakPolarHBondContact CA-OD2 3.38Å; T94-D121 WeakPolarHBondContact CB-OD2 3.49Å; T94-D121 PolarHBondContact OG1-OD2 2.64Å
95E85.8Confident72.2Confident58 Ų5836.2 Ų36.227%0.27122%0.221SC..Hα-helixtrans-67.1-35.6177.8-71.1-66.3148.200111C92 L98 S99 K154C92-E95 PolarHBondContact O-N 3.49Å; C92-E95 VanDerWaalsContact O-N 3.14Å; C92-E95 WeakPolarHBondContact SG-CG 3.38Å; E95-L98 PolarHBondContact O-N 2.87Å; E95-S99 PolarHBondContact O-N 2.94Å; E95-S99 PolarHBondContact O-OG 3.08Å; E95-S99 VanDerWaalsContact O-OG 3.06Å; E95-K154 HydrophobicContact CB-CB 4.36Å; E95-K154 HydrophobicContact CG-CB 4.46Å; E95-K154 VanDerWaalsContact OE2-CD 3.3Å; E95-K154 WeakPolarHBondContact OE2-CD 3.39Å
96F92Very high74.8Confident0 Ų037.5 Ų37.50%024%0.237CC..Hα-helixtrans-67.5-42.4176-172.5-155.6000112.3L59 L63 C92 D93 T94 L98 S99 I100 I125 F141 L152 S155 H156L59-F96 HydrophobicContact CB-CE1 4.28Å; L59-F96 HydrophobicContact CB-CZ 4.31Å; L59-F96 HydrophobicContact CD2-CZ 4.17Å; L63-F96 HydrophobicContact CD1-CD1 4.3Å; L63-F96 HydrophobicContact CD2-CB 3.74Å; L63-F96 HydrophobicContact CD2-CD1 3.68Å; L63-F96 HydrophobicContact CD2-CE1 4.45Å; L63-F96 HydrophobicContact CD2-CG 3.8Å; C92-F96 PolarHBondContact O-N 2.79Å; D93-F96 PolarHBondContact O-N 3.21Å; T94-F96 VanDerWaalsContact C-N 3.31Å; T94-F96 PolarHBondContact O-N 3.05Å; F96-L98 VanDerWaalsContact C-N 3.29Å; F96-L98 PolarHBondContact O-N 2.94Å; F96-S99 WeakPolarHBondContact O-CB 3.41Å; F96-S99 PolarHBondContact O-N 3.3Å; F96-S99 VanDerWaalsContact O-N 3.14Å; F96-I100 HydrophobicContact CD1-CD1 4.42Å; F96-I100 HydrophobicContact CD2-CD1 4.01Å; F96-I100 HydrophobicContact CD2-CG1 4.27Å; F96-I100 HydrophobicContact CE1-CD1 4.19Å; F96-I100 HydrophobicContact CE2-CD1 3.75Å; F96-I100 HydrophobicContact CE2-CG1 3.98Å; F96-I100 HydrophobicContact CG-CD1 4.34Å; F96-I100 HydrophobicContact CZ-CD1 3.85Å; F96-I100 HydrophobicContact CZ-CG1 4.48Å; F96-I100 PolarHBondContact O-N 3.14Å; F96-I125 HydrophobicContact CB-CD1 4.08Å; F96-I125 HydrophobicContact CD1-CD1 3.64Å; F96-I125 HydrophobicContact CD1-CG1 4.34Å; F96-I125 HydrophobicContact CD1-CG2 4.12Å; F96-I125 HydrophobicContact CE1-CD1 4.42Å; F96-I125 HydrophobicContact CE1-CG2 3.79Å; F96-I125 HydrophobicContact CG-CD1 4.12Å; F96-F141 HydrophobicContact CE2-CZ 4.09Å; F96-L152 HydrophobicContact CD2-CD2 4.43Å; F96-L152 HydrophobicContact CE2-CD2 4.22Å; F96-S155 VanDerWaalsContact CA-CB 3.46Å; F96-H156 AromaticContact CD2-CE1 3.65Å; F96-H156 AromaticContact CE2-CE1 3.64Å; F96-H156 AromaticContact CG-CE1 3.96Å; F96-H156 AromaticContact CZ-CE1 3.92Å
97W92.5Very high77.3Confident3 Ų339.1 Ų39.11%0.01125%0.246CC..Hα-helixtrans-61.1-39.8174.1178.9-129.8000111.4D93 T94 I100 K101 L104 L112 E113 D121 R124 I125 W128D93-W97 VanDerWaalsContact O-CB 3.32Å; D93-W97 WeakPolarHBondContact O-CB 3.44Å; D93-W97 PolarHBondContact O-N 2.85Å; T94-W97 PolarHBondContact O-N 3.4Å; W97-I100 HydrophobicContact CE3-CB 4.13Å; W97-I100 HydrophobicContact CE3-CD1 4.47Å; W97-I100 HydrophobicContact CE3-CG2 4.05Å; W97-I100 HydrophobicContact CZ3-CB 4.32Å; W97-I100 HydrophobicContact CZ3-CG2 3.73Å; W97-I100 PolarHBondContact O-N 3.37Å; W97-K101 HydrophobicContact CD2-CD 4.47Å; W97-K101 HydrophobicContact CD2-CG 4.09Å; W97-K101 HydrophobicContact CH2-CG 4.19Å; W97-K101 HydrophobicContact CZ2-CD 3.89Å; W97-K101 HydrophobicContact CZ2-CG 3.73Å; W97-K101 WeakPolarHBondContact O-CG 3.48Å; W97-K101 PolarHBondContact O-N 3.34Å; W97-L104 HydrophobicContact CH2-CD1 4.3Å; W97-L104 HydrophobicContact CZ3-CD1 4.46Å; W97-L112 HydrophobicContact CH2-CB 3.99Å; W97-L112 HydrophobicContact CH2-CD1 3.81Å; W97-L112 HydrophobicContact CZ2-CB 4.37Å; W97-L112 HydrophobicContact CZ3-CD1 4.45Å; W97-E113 HydrophobicContact CZ2-CG 4.28Å; W97-D121 HydrophobicContact CB-CB 4.19Å; W97-R124 HydrophobicContact CD2-CB 3.99Å; W97-R124 HydrophobicContact CE3-CB 4.14Å; W97-R124 HydrophobicContact CH2-CB 4.31Å; W97-R124 HydrophobicContact CZ2-CB 4.13Å; W97-R124 HydrophobicContact CZ3-CB 4.3Å; W97-I125 HydrophobicContact CB-CD1 4.23Å; W97-I125 HydrophobicContact CB-CG1 4.12Å; W97-I125 HydrophobicContact CE3-CG1 4.04Å; W97-W128 HydrophobicContact CZ3-CB 3.98Å; W97-W128 HydrophobicContact CZ3-CG 4.4Å
98L90.2Very high80Confident77 Ų7739.5 Ų39.540%0.40325%0.246SC..Hα-helixtrans-62-41.5172.9-70.5169.7000112.2T94 E95 F96 I100 K101 S102T94-L98 HydrophobicContact CG2-CD1 4.36Å; T94-L98 VanDerWaalsContact O-CG 3.24Å; T94-L98 WeakPolarHBondContact O-CG 3.11Å; T94-L98 PolarHBondContact O-N 3.39Å; E95-L98 PolarHBondContact O-N 2.87Å; F96-L98 VanDerWaalsContact C-N 3.29Å; F96-L98 PolarHBondContact O-N 2.94Å; L98-I100 VanDerWaalsContact C-N 3.35Å; L98-I100 PolarHBondContact O-N 3.13Å; L98-K101 PolarHBondContact O-N 3.25Å; L98-S102 PolarHBondContact O-N 3.03Å; L98-S102 VanDerWaalsContact O-N 3.08Å
99S90.1Very high82.9Confident10 Ų1039.7 Ų39.77%0.0724%0.24CC..Hα-helixtrans-58.5-45.6173.2-56.60000111.5E95 F96 S102 L151 S155E95-S99 PolarHBondContact O-N 2.94Å; E95-S99 PolarHBondContact O-OG 3.08Å; E95-S99 VanDerWaalsContact O-OG 3.06Å; F96-S99 WeakPolarHBondContact O-CB 3.41Å; F96-S99 PolarHBondContact O-N 3.3Å; F96-S99 VanDerWaalsContact O-N 3.14Å; S99-S102 PolarHBondContact O-N 3.36Å; S99-S102 PolarHBondContact O-OG 3.25Å; S99-L151 WeakPolarHBondContact CB-O 3.39Å; S99-L151 PolarHBondContact OG-O 2.86Å; S99-S155 PolarHBondContact OG-OG 3.22Å
100I92.5Very high85.1Confident0 Ų045.2 Ų45.20%026%0.257CS..Hα-helixtrans-64.1-46.6177.8-71.1158.7000110.8F96 W97 L98 S102 V103 L104 I125 W128 F141F96-I100 HydrophobicContact CD1-CD1 4.42Å; F96-I100 HydrophobicContact CD2-CD1 4.01Å; F96-I100 HydrophobicContact CD2-CG1 4.27Å; F96-I100 HydrophobicContact CE1-CD1 4.19Å; F96-I100 HydrophobicContact CE2-CD1 3.75Å; F96-I100 HydrophobicContact CE2-CG1 3.98Å; F96-I100 HydrophobicContact CG-CD1 4.34Å; F96-I100 HydrophobicContact CZ-CD1 3.85Å; F96-I100 HydrophobicContact CZ-CG1 4.48Å; F96-I100 PolarHBondContact O-N 3.14Å; W97-I100 HydrophobicContact CE3-CB 4.13Å; W97-I100 HydrophobicContact CE3-CD1 4.47Å; W97-I100 HydrophobicContact CE3-CG2 4.05Å; W97-I100 HydrophobicContact CZ3-CB 4.32Å; W97-I100 HydrophobicContact CZ3-CG2 3.73Å; W97-I100 PolarHBondContact O-N 3.37Å; L98-I100 VanDerWaalsContact C-N 3.35Å; L98-I100 PolarHBondContact O-N 3.13Å; I100-S102 PolarHBondContact O-N 3.43Å; I100-S102 VanDerWaalsContact O-N 3.17Å; I100-V103 PolarHBondContact O-N 3.24Å; I100-L104 HydrophobicContact CG2-CD1 3.68Å; I100-L104 HydrophobicContact CG2-CG 4.1Å; I100-L104 WeakPolarHBondContact O-CG 3.32Å; I100-L104 PolarHBondContact O-N 3.39Å; I100-I125 HydrophobicContact CD1-CB 4.35Å; I100-I125 HydrophobicContact CD1-CG1 3.9Å; I100-I125 HydrophobicContact CD1-CG2 3.86Å; I100-W128 HydrophobicContact CD1-CD2 4.27Å; I100-W128 HydrophobicContact CD1-CE3 3.66Å; I100-W128 HydrophobicContact CD1-CZ3 3.79Å; I100-W128 HydrophobicContact CG1-CE3 4.26Å; I100-W128 HydrophobicContact CG1-CH2 4.45Å; I100-W128 HydrophobicContact CG1-CZ3 4.21Å; I100-W128 HydrophobicContact CG2-CD2 3.68Å; I100-W128 HydrophobicContact CG2-CE3 4.21Å; I100-W128 HydrophobicContact CG2-CG 3.85Å; I100-W128 HydrophobicContact CG2-CZ2 4.36Å; I100-F141 HydrophobicContact CB-CE2 4.27Å; I100-F141 HydrophobicContact CG1-CD2 4.37Å; I100-F141 HydrophobicContact CG1-CE1 4.46Å; I100-F141 HydrophobicContact CG1-CE2 3.62Å; I100-F141 HydrophobicContact CG1-CZ 3.67Å
101K92.1Very high87.1Confident53 Ų5346.9 Ų46.923%0.2327%0.265CS..Hα-helixtrans-56.8-32.7177.4-76.8-163-73.4-173.80113.3W97 L98 V103 L104 I109 E113W97-K101 HydrophobicContact CD2-CD 4.47Å; W97-K101 HydrophobicContact CD2-CG 4.09Å; W97-K101 HydrophobicContact CH2-CG 4.19Å; W97-K101 HydrophobicContact CZ2-CD 3.89Å; W97-K101 HydrophobicContact CZ2-CG 3.73Å; W97-K101 WeakPolarHBondContact O-CG 3.48Å; W97-K101 PolarHBondContact O-N 3.34Å; L98-K101 PolarHBondContact O-N 3.25Å; K101-V103 PolarHBondContact O-N 3.49Å; K101-L104 PolarHBondContact O-N 3.45Å; K101-I109 HydrophobicContact CB-CD1 4.13Å; K101-I109 HydrophobicContact CB-CG1 4.49Å; K101-I109 HydrophobicContact CD-CG2 3.77Å; K101-I109 HydrophobicContact CG-CD1 4.3Å; K101-I109 HydrophobicContact CG-CG1 4.19Å; K101-I109 HydrophobicContact CG-CG2 4.31Å; K101-E113 WeakPolarHBondContact CD-OE1 3.46Å; K101-E113 IonicContact NZ-OE1 3.45Å; K101-E113 PolarHBondContact NZ-OE1 2.82Å
102S90.7Very high88.7Confident76 Ų7644.2 Ų44.253%0.53125%0.248SC..THydrogen-bonded Turntrans-65-20.8177.877.40000114L98 S99 I100 L151L98-S102 PolarHBondContact O-N 3.03Å; L98-S102 VanDerWaalsContact O-N 3.08Å; S99-S102 PolarHBondContact O-N 3.36Å; S99-S102 PolarHBondContact O-OG 3.25Å; I100-S102 PolarHBondContact O-N 3.43Å; I100-S102 VanDerWaalsContact O-N 3.17Å; S102-L151 WeakPolarHBondContact OG-CD2 3.29Å
103V91.1Very high89.9Confident21 Ų2147.9 Ų47.913%0.12726%0.263CS..THydrogen-bonded Turntrans-97.4-25.2179.7-1770000111.7I100 K101 R140 F141 A144 L151I100-V103 PolarHBondContact O-N 3.24Å; K101-V103 PolarHBondContact O-N 3.49Å; V103-R140 PolarHBondContact O-NH2 2.95Å; V103-F141 HydrophobicContact CB-CD2 4.09Å; V103-F141 HydrophobicContact CG1-CD2 4.25Å; V103-F141 HydrophobicContact CG2-CD2 4.01Å; V103-F141 HydrophobicContact CG2-CE2 4.16Å; V103-A144 HydrophobicContact CB-CB 4.49Å; V103-A144 HydrophobicContact CG1-CB 3.62Å; V103-A144 HydrophobicContact CG2-CB 3.96Å; V103-L151 HydrophobicContact CG2-CD1 3.9Å
104L92.5Very high90.6Very high22 Ų2250.9 Ų50.912%0.11529%0.286CS..SBendtrans-80.6154.4-176.8-66.1179.4000113.3W97 I100 K101 E108 I109 L112W97-L104 HydrophobicContact CH2-CD1 4.3Å; W97-L104 HydrophobicContact CZ3-CD1 4.46Å; I100-L104 HydrophobicContact CG2-CD1 3.68Å; I100-L104 HydrophobicContact CG2-CG 4.1Å; I100-L104 WeakPolarHBondContact O-CG 3.32Å; I100-L104 PolarHBondContact O-N 3.39Å; K101-L104 PolarHBondContact O-N 3.45Å; L104-E108 HydrophobicContact CB-CB 4.27Å; L104-E108 HydrophobicContact CD2-CB 4.42Å; L104-I109 HydrophobicContact CB-CD1 4.27Å; L104-I109 HydrophobicContact CB-CG1 3.8Å; L104-I109 HydrophobicContact CD1-CG1 4.42Å; L104-L112 HydrophobicContact CD1-CD1 3.93Å
105S91.2Very high91.1Very high52 Ų5248.9 Ų48.936%0.36427%0.272SS..  trans-76.8156.2172.6-42.10000110.9D107 E108 I109S105-D107 PolarHBondContact O-N 2.92Å; S105-E108 WeakPolarHBondContact CB-OE2 3.48Å; S105-E108 PolarHBondContact N-OE2 3.16Å; S105-E108 PolarHBondContact O-N 3.46Å; S105-E108 VanDerWaalsContact O-N 3.11Å; S105-E108 PolarHBondContact OG-OE2 3.05Å; S105-I109 WeakPolarHBondContact O-CG1 3.2Å; S105-I109 PolarHBondContact O-N 2.69Å; S105-I109 VanDerWaalsContact O-N 3.11Å
106G90.9Very high91.3Very high40 Ų4055 Ų5541%0.41230%0.301SS..Hα-helixtrans-58.9-30.6-179.500000114.4R110G106-R110 WeakPolarHBondContact O-CG 3.37Å; G106-R110 PolarHBondContact O-N 2.91Å; G106-R110 VanDerWaalsContact O-N 3.15Å
107D91Very high91.1Very high111 Ų11157.2 Ų57.259%0.59432%0.317SS*.Hα-helixtrans-69.2-44.8174.7-68.5-56.2000112.6S105 I109 R110 C111S105-D107 PolarHBondContact O-N 2.92Å; D107-I109 VanDerWaalsContact C-N 3.32Å; D107-I109 PolarHBondContact O-N 3.25Å; D107-R110 PolarHBondContact O-N 3.02Å; D107-R110 IonicContact OD1-CZ 3.44Å; D107-R110 IonicContact OD1-NE 3.75Å; D107-R110 IonicContact OD1-NH2 2.88Å; D107-R110 PolarHBondContact OD1-NH2 2.88Å; D107-R110 IonicContact OD2-NH2 2.85Å; D107-C111 PolarHBondContact O-N 2.73Å
108E91Very high91.1Very high40 Ų4057.7 Ų57.719%0.18732%0.319CS..Hα-helixtrans-60.4-43.6178.3-62.6171.693.500110.4L104 S105 C111 L112 R140L104-E108 HydrophobicContact CB-CB 4.27Å; L104-E108 HydrophobicContact CD2-CB 4.42Å; S105-E108 WeakPolarHBondContact CB-OE2 3.48Å; S105-E108 PolarHBondContact N-OE2 3.16Å; S105-E108 PolarHBondContact O-N 3.46Å; S105-E108 VanDerWaalsContact O-N 3.11Å; S105-E108 PolarHBondContact OG-OE2 3.05Å; E108-C111 PolarHBondContact O-N 2.97Å; E108-L112 WeakPolarHBondContact O-CG 3.47Å; E108-L112 PolarHBondContact O-N 2.98Å; E108-L112 VanDerWaalsContact O-N 3.08Å; E108-R140 IonicContact OE1-NH1 3.85Å; E108-R140 IonicContact OE2-CZ 2.88Å; E108-R140 IonicContact OE2-NH1 3.62Å; E108-R140 PolarHBondContact OE2-NH1 3.26Å; E108-R140 IonicContact OE2-NH2 3.18Å
109I92.5Very high90.6Very high31 Ų3158.6 Ų58.616%0.15933%0.332CS..Hα-helixtrans-63.2-48.2177.7-61.3168.4000110.8K101 L104 S105 D107 C111 L112 E113K101-I109 HydrophobicContact CB-CD1 4.13Å; K101-I109 HydrophobicContact CB-CG1 4.49Å; K101-I109 HydrophobicContact CD-CG2 3.77Å; K101-I109 HydrophobicContact CG-CD1 4.3Å; K101-I109 HydrophobicContact CG-CG1 4.19Å; K101-I109 HydrophobicContact CG-CG2 4.31Å; L104-I109 HydrophobicContact CB-CD1 4.27Å; L104-I109 HydrophobicContact CB-CG1 3.8Å; L104-I109 HydrophobicContact CD1-CG1 4.42Å; S105-I109 WeakPolarHBondContact O-CG1 3.2Å; S105-I109 PolarHBondContact O-N 2.69Å; S105-I109 VanDerWaalsContact O-N 3.11Å; D107-I109 VanDerWaalsContact C-N 3.32Å; D107-I109 PolarHBondContact O-N 3.25Å; I109-C111 VanDerWaalsContact C-N 3.29Å; I109-C111 PolarHBondContact O-N 2.86Å; I109-L112 PolarHBondContact O-N 2.91Å; I109-E113 HydrophobicContact CG2-CG 4.2Å; I109-E113 WeakPolarHBondContact O-CB 3.46Å; I109-E113 WeakPolarHBondContact O-CG 3.45Å; I109-E113 PolarHBondContact O-N 3.33Å
110R91.7Very high90.3Very high152 Ų15260 Ų6057%0.57434%0.341SS*.Hα-helixtrans-57.7-43.2178.1-80.8-170.4-68.4-94.38.8111.6G106 D107 S114G106-R110 WeakPolarHBondContact O-CG 3.37Å; G106-R110 PolarHBondContact O-N 2.91Å; G106-R110 VanDerWaalsContact O-N 3.15Å; D107-R110 PolarHBondContact O-N 3.02Å; D107-R110 IonicContact OD1-CZ 3.44Å; D107-R110 IonicContact OD1-NE 3.75Å; D107-R110 IonicContact OD1-NH2 2.88Å; D107-R110 PolarHBondContact OD1-NH2 2.88Å; D107-R110 IonicContact OD2-NH2 2.85Å; R110-S114 WeakPolarHBondContact O-CB 3.27Å; R110-S114 PolarHBondContact O-N 2.82Å; R110-S114 PolarHBondContact O-OG 2.97Å; R110-S114 VanDerWaalsContact O-OG 3.05Å
111C90.6Very high90Very high72 Ų7261.2 Ų61.249%0.48635%0.348SS..Hα-helixtrans-59.5-52.3177.7-1730000111.2D107 E108 I109 E113 S114D107-C111 PolarHBondContact O-N 2.73Å; E108-C111 PolarHBondContact O-N 2.97Å; I109-C111 VanDerWaalsContact C-N 3.29Å; I109-C111 PolarHBondContact O-N 2.86Å; C111-E113 PolarHBondContact O-N 3.47Å; C111-S114 PolarHBondContact O-N 3.44Å; C111-S114 PolarHBondContact O-OG 3.1Å
112L91.6Very high89.7Confident5 Ų559.4 Ų59.43%0.02634%0.341CS..Hα-helixtrans-67.4-33.1-177.8-69.1163.6000113.5W97 L104 E108 I109 S114 L115 W128 C131 I187W97-L112 HydrophobicContact CH2-CB 3.99Å; W97-L112 HydrophobicContact CH2-CD1 3.81Å; W97-L112 HydrophobicContact CZ2-CB 4.37Å; W97-L112 HydrophobicContact CZ3-CD1 4.45Å; L104-L112 HydrophobicContact CD1-CD1 3.93Å; E108-L112 WeakPolarHBondContact O-CG 3.47Å; E108-L112 PolarHBondContact O-N 2.98Å; E108-L112 VanDerWaalsContact O-N 3.08Å; I109-L112 PolarHBondContact O-N 2.91Å; L112-S114 VanDerWaalsContact C-N 3.34Å; L112-L115 HydrophobicContact CD2-CD1 4.26Å; L112-L115 WeakPolarHBondContact O-CD1 3.42Å; L112-L115 WeakPolarHBondContact O-CG 3.34Å; L112-W128 HydrophobicContact CD1-CB 3.93Å; L112-W128 HydrophobicContact CD1-CG 4.37Å; L112-W128 HydrophobicContact CD2-CB 4.31Å; L112-C131 HydrophobicContact CD2-CB 4.43Å; L112-I187 HydrophobicContact CD2-CG2 4.24Å
113E90.1Very high89.6Confident89 Ų8955.8 Ų55.842%0.41632%0.316SS..Hα-helixtrans-79.8-16.9175.9-69.1-175.4162.600112.8W97 K101 I109 C111W97-E113 HydrophobicContact CZ2-CG 4.28Å; K101-E113 WeakPolarHBondContact CD-OE1 3.46Å; K101-E113 IonicContact NZ-OE1 3.45Å; K101-E113 PolarHBondContact NZ-OE1 2.82Å; I109-E113 HydrophobicContact CG2-CG 4.2Å; I109-E113 WeakPolarHBondContact O-CB 3.46Å; I109-E113 WeakPolarHBondContact O-CG 3.45Å; I109-E113 PolarHBondContact O-N 3.33Å; C111-E113 PolarHBondContact O-N 3.47Å
114S90.4Very high89.7Confident83 Ų8357.9 Ų57.958%0.5832%0.322SS*.THydrogen-bonded Turntrans-91.40.8178.271.60000115.3R110 C111 L112R110-S114 WeakPolarHBondContact O-CB 3.27Å; R110-S114 PolarHBondContact O-N 2.82Å; R110-S114 PolarHBondContact O-OG 2.97Å; R110-S114 VanDerWaalsContact O-OG 3.05Å; C111-S114 PolarHBondContact O-N 3.44Å; C111-S114 PolarHBondContact O-OG 3.1Å; L112-S114 VanDerWaalsContact C-N 3.34Å
115L92.4Very high89.7Confident31 Ų3156.9 Ų56.916%0.16232%0.316CS..  trans-62.1139.4178.8-61.2176.1000111.2L112 I118 I187 D188L112-L115 HydrophobicContact CD2-CD1 4.26Å; L112-L115 WeakPolarHBondContact O-CD1 3.42Å; L112-L115 WeakPolarHBondContact O-CG 3.34Å; L115-I118 HydrophobicContact CB-CB 4.03Å; L115-I118 HydrophobicContact CB-CG1 3.94Å; L115-I118 HydrophobicContact CD1-CB 4.36Å; L115-I118 HydrophobicContact CD1-CG1 3.78Å; L115-I187 HydrophobicContact CD1-CG2 4.02Å; L115-I187 HydrophobicContact CD2-CG2 4.37Å; L115-D188 HydrophobicContact CD2-CB 4.02Å
116Q90.2Very high89.8Confident186 Ų18655.6 Ų55.687%0.86930%0.304SS*.SBendtrans-84.1-34.7-171.3-63.7-1774.700112.5D188Q116-D188 PolarHBondContact N-OD1 2.98Å; Q116-D188 PolarHBondContact N-OD2 3.25Å
117S88.9Confident90Very high48 Ų4853.7 Ų53.734%0.33628%0.284SS..SBendtrans-91.4-11.2-174.9-48.40000113D188 N193S117-D188 WeakPolarHBondContact CA-OD1 3.29Å; S117-D188 WeakPolarHBondContact CB-OD1 3.41Å; S117-D188 PolarHBondContact N-OD1 2.91Å; S117-D188 PolarHBondContact OG-OD1 3.25Å; S117-N193 PolarHBondContact O-ND2 2.99Å
118I90.6Very high90.2Very high13 Ų1348.9 Ų48.97%0.06726%0.257CS..  trans-97.9120-175.1-55.5-58.8000110.7L115 R124 S127 V189 L192 N193L115-I118 HydrophobicContact CB-CB 4.03Å; L115-I118 HydrophobicContact CB-CG1 3.94Å; L115-I118 HydrophobicContact CD1-CB 4.36Å; L115-I118 HydrophobicContact CD1-CG1 3.78Å; I118-R124 HydrophobicContact CG2-CG 3.78Å; I118-S127 WeakPolarHBondContact CD1-OG 3.42Å; I118-S127 WeakPolarHBondContact CG1-OG 3.24Å; I118-V189 VanDerWaalsContact CD1-O 3.3Å; I118-V189 WeakPolarHBondContact CD1-O 3.31Å; I118-L192 HydrophobicContact CD1-CB 3.77Å; I118-L192 HydrophobicContact CD1-CD1 4.13Å; I118-L192 HydrophobicContact CD1-CG 4.38Å; I118-N193 WeakPolarHBondContact CA-OD1 3.45Å
119S81.4Confident90.4Very high95 Ų9547 Ų4766%0.66425%0.249SC*.  trans-121.6-10.4-173.362.30000114.7N193S119-N193 PolarHBondContact N-OD1 3.37Å
120C82.5Confident90.4Very high39 Ų3946 Ų4626%0.26424%0.243SC..SBendtrans-127.4162.2179.470.60000113.1V122 G123 R124 N193C120-V122 PolarHBondContact O-N 3.44Å; C120-G123 PolarHBondContact O-N 2.78Å; C120-G123 VanDerWaalsContact O-N 3.16Å; C120-G123 PolarHBondContact SG-N 3.22Å; C120-R124 WeakPolarHBondContact O-CG 3.27Å; C120-R124 PolarHBondContact O-N 3.12Å; C120-N193 PolarHBondContact N-OD1 2.95Å; C120-N193 VanDerWaalsContact SG-CA 3.54Å
121D86.5Confident90.5Very high27 Ų2739.7 Ų39.714%0.14422%0.222CC..Hα-helixtrans-65.4-36.9-180-70.4-33.4000112.7D93 T94 W97 G123 R124 I125D93-D121 HydrophobicContact CB-CB 3.87Å; T94-D121 VanDerWaalsContact CA-OD2 3.27Å; T94-D121 WeakPolarHBondContact CA-OD2 3.38Å; T94-D121 WeakPolarHBondContact CB-OD2 3.49Å; T94-D121 PolarHBondContact OG1-OD2 2.64Å; W97-D121 HydrophobicContact CB-CB 4.19Å; D121-G123 VanDerWaalsContact C-N 3.26Å; D121-G123 PolarHBondContact O-N 2.77Å; D121-R124 WeakPolarHBondContact O-CB 3.21Å; D121-R124 PolarHBondContact O-N 3.4Å; D121-R124 VanDerWaalsContact O-N 3.13Å; D121-R124 IonicContact OD1-CZ 2.6Å; D121-R124 IonicContact OD1-NH1 3.99Å; D121-R124 PolarHBondContact OD1-NH1 3.28Å; D121-I125 WeakPolarHBondContact O-CD1 3.42Å; D121-I125 VanDerWaalsContact O-CG1 3.27Å; D121-I125 WeakPolarHBondContact O-CG1 3.49Å; D121-I125 PolarHBondContact O-N 3.11Å
122V86.4Confident90.6Very high15 Ų1536.4 Ų36.49%0.09120%0.2CC..Hα-helixtrans-54.1-48.1170.7-178.80000110.3F60 D93 C120 R124 I125 R126F60-V122 HydrophobicContact CE1-CG1 4.1Å; F60-V122 HydrophobicContact CZ-CG1 4.09Å; D93-V122 HydrophobicContact CB-CG2 3.87Å; D93-V122 WeakPolarHBondContact OD2-CG2 3.31Å; C120-V122 PolarHBondContact O-N 3.44Å; V122-R124 VanDerWaalsContact C-N 3.34Å; V122-R124 PolarHBondContact O-N 3.13Å; V122-I125 PolarHBondContact O-N 3.35Å; V122-R126 HydrophobicContact CG1-CG 4.44Å; V122-R126 VanDerWaalsContact O-CG 3.3Å; V122-R126 WeakPolarHBondContact O-CG 3.3Å; V122-R126 PolarHBondContact O-N 3.28Å
123G89.2Confident90.6Very high0 Ų036.4 Ų36.40%020%0.2CC..Hα-helixtrans-60-4517800000111.3C120 D121 I125 R126 S127 L192C120-G123 PolarHBondContact O-N 2.78Å; C120-G123 VanDerWaalsContact O-N 3.16Å; C120-G123 PolarHBondContact SG-N 3.22Å; D121-G123 VanDerWaalsContact C-N 3.26Å; D121-G123 PolarHBondContact O-N 2.77Å; G123-I125 PolarHBondContact O-N 3.28Å; G123-R126 PolarHBondContact O-N 2.94Å; G123-S127 VanDerWaalsContact O-CB 3.32Å; G123-S127 WeakPolarHBondContact O-CB 3.39Å; G123-S127 PolarHBondContact O-N 2.68Å; G123-S127 PolarHBondContact O-OG 3.16Å; G123-S127 VanDerWaalsContact O-OG 3.09Å; G123-L192 WeakPolarHBondContact CA-O 3.41Å
124R91.6Very high90.6Very high64 Ų6433.9 Ų33.924%0.24219%0.189CC..Hα-helixtrans-60.5-42.5177.1-67.2174.6-174135.82.1112.5W97 I118 C120 D121 V122 S127 W128W97-R124 HydrophobicContact CD2-CB 3.99Å; W97-R124 HydrophobicContact CE3-CB 4.14Å; W97-R124 HydrophobicContact CH2-CB 4.31Å; W97-R124 HydrophobicContact CZ2-CB 4.13Å; W97-R124 HydrophobicContact CZ3-CB 4.3Å; I118-R124 HydrophobicContact CG2-CG 3.78Å; C120-R124 WeakPolarHBondContact O-CG 3.27Å; C120-R124 PolarHBondContact O-N 3.12Å; D121-R124 WeakPolarHBondContact O-CB 3.21Å; D121-R124 PolarHBondContact O-N 3.4Å; D121-R124 VanDerWaalsContact O-N 3.13Å; D121-R124 IonicContact OD1-CZ 2.6Å; D121-R124 IonicContact OD1-NH1 3.99Å; D121-R124 PolarHBondContact OD1-NH1 3.28Å; V122-R124 VanDerWaalsContact C-N 3.34Å; V122-R124 PolarHBondContact O-N 3.13Å; R124-S127 PolarHBondContact O-N 3.02Å; R124-W128 VanDerWaalsContact O-CB 3.23Å; R124-W128 WeakPolarHBondContact O-CB 3.48Å; R124-W128 PolarHBondContact O-N 2.99Å
125I93.7Very high90.6Very high1 Ų134.9 Ų34.91%0.00519%0.185CC..Hα-helixtrans-64-44.1177-65158.6000110.6F60 D93 F96 W97 I100 D121 V122 G123 W128 L129F60-I125 HydrophobicContact CE1-CD1 4.4Å; F60-I125 HydrophobicContact CE1-CG2 4.46Å; F60-I125 HydrophobicContact CE2-CG2 4.13Å; F60-I125 HydrophobicContact CZ-CB 4.05Å; F60-I125 HydrophobicContact CZ-CD1 4.49Å; F60-I125 HydrophobicContact CZ-CG2 3.65Å; D93-I125 HydrophobicContact CB-CD1 4.21Å; F96-I125 HydrophobicContact CB-CD1 4.08Å; F96-I125 HydrophobicContact CD1-CD1 3.64Å; F96-I125 HydrophobicContact CD1-CG1 4.34Å; F96-I125 HydrophobicContact CD1-CG2 4.12Å; F96-I125 HydrophobicContact CE1-CD1 4.42Å; F96-I125 HydrophobicContact CE1-CG2 3.79Å; F96-I125 HydrophobicContact CG-CD1 4.12Å; W97-I125 HydrophobicContact CB-CD1 4.23Å; W97-I125 HydrophobicContact CB-CG1 4.12Å; W97-I125 HydrophobicContact CE3-CG1 4.04Å; I100-I125 HydrophobicContact CD1-CB 4.35Å; I100-I125 HydrophobicContact CD1-CG1 3.9Å; I100-I125 HydrophobicContact CD1-CG2 3.86Å; D121-I125 WeakPolarHBondContact O-CD1 3.42Å; D121-I125 VanDerWaalsContact O-CG1 3.27Å; D121-I125 WeakPolarHBondContact O-CG1 3.49Å; D121-I125 PolarHBondContact O-N 3.11Å; V122-I125 PolarHBondContact O-N 3.35Å; G123-I125 PolarHBondContact O-N 3.28Å; I125-W128 HydrophobicContact CG2-CE3 4.38Å; I125-W128 WeakPolarHBondContact O-CB 3.45Å; I125-W128 PolarHBondContact O-N 2.77Å; I125-L129 PolarHBondContact O-N 3.26Å
126R93.2Very high90.4Very high26 Ų2635.9 Ų35.910%0.09819%0.19CC..Hα-helixtrans-70.9-34.8179.9-67.1179.374.3-164.67.9112.9E56 F60 V122 G123 R130 H191 L192 Y194E56-R126 VanDerWaalsContact CD-NE 3.28Å; E56-R126 IonicContact OE1-CZ 3.61Å; E56-R126 IonicContact OE1-NE 3.06Å; E56-R126 PolarHBondContact OE1-NE 2.95Å; E56-R126 IonicContact OE1-NH2 3.14Å; E56-R126 PolarHBondContact OE1-NH2 2.93Å; E56-R126 IonicContact OE2-CZ 3.5Å; E56-R126 IonicContact OE2-NE 2.86Å; E56-R126 PolarHBondContact OE2-NE 3.28Å; E56-R126 IonicContact OE2-NH2 3.32Å; E56-R126 PolarHBondContact OE2-NH2 3.03Å; F60-R126 HydrophobicContact CE2-CG 3.88Å; F60-R126 HydrophobicContact CZ-CG 3.94Å; V122-R126 HydrophobicContact CG1-CG 4.44Å; V122-R126 VanDerWaalsContact O-CG 3.3Å; V122-R126 WeakPolarHBondContact O-CG 3.3Å; V122-R126 PolarHBondContact O-N 3.28Å; G123-R126 PolarHBondContact O-N 2.94Å; R126-R130 WeakPolarHBondContact O-CG 3.43Å; R126-R130 PolarHBondContact O-N 3.49Å; R126-R130 PolarHBondContact O-NH1 3.12Å; R126-H191 PolarHBondContact NH1-O 3.18Å; R126-L192 HydrophobicContact CB-CB 4.37Å; R126-L192 HydrophobicContact CB-CD2 4.38Å; R126-L192 PolarHBondContact NH1-O 3.05Å; R126-Y194 PolarHBondContact NH1-O 3.38Å
127S94.1Very high90.4Very high0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-66.2-44.3170.3-70.30000111.1I118 G123 R124 L129 R130 C131 I187 L192I118-S127 WeakPolarHBondContact CD1-OG 3.42Å; I118-S127 WeakPolarHBondContact CG1-OG 3.24Å; G123-S127 VanDerWaalsContact O-CB 3.32Å; G123-S127 WeakPolarHBondContact O-CB 3.39Å; G123-S127 PolarHBondContact O-N 2.68Å; G123-S127 PolarHBondContact O-OG 3.16Å; G123-S127 VanDerWaalsContact O-OG 3.09Å; R124-S127 PolarHBondContact O-N 3.02Å; S127-L129 VanDerWaalsContact C-N 3.33Å; S127-L129 PolarHBondContact O-N 2.78Å; S127-R130 PolarHBondContact O-N 3.49Å; S127-C131 WeakPolarHBondContact O-CB 3.45Å; S127-C131 PolarHBondContact O-N 2.92Å; S127-I187 WeakPolarHBondContact CB-O 3.42Å; S127-I187 PolarHBondContact OG-O 3.37Å; S127-L192 VanDerWaalsContact OG-CD1 3.27Å; S127-L192 WeakPolarHBondContact OG-CD1 3.36Å
128W95.3Very high90.6Very high9 Ų927.9 Ų27.93%0.03415%0.15CC..Hα-helixtrans-57.3-46.3173.8163.169.9000111.4L59 W97 I100 L112 R124 I125 R130 C131 A132 F138 F141L59-W128 HydrophobicContact CD1-CZ3 4.27Å; W97-W128 HydrophobicContact CZ3-CB 3.98Å; W97-W128 HydrophobicContact CZ3-CG 4.4Å; I100-W128 HydrophobicContact CD1-CD2 4.27Å; I100-W128 HydrophobicContact CD1-CE3 3.66Å; I100-W128 HydrophobicContact CD1-CZ3 3.79Å; I100-W128 HydrophobicContact CG1-CE3 4.26Å; I100-W128 HydrophobicContact CG1-CH2 4.45Å; I100-W128 HydrophobicContact CG1-CZ3 4.21Å; I100-W128 HydrophobicContact CG2-CD2 3.68Å; I100-W128 HydrophobicContact CG2-CE3 4.21Å; I100-W128 HydrophobicContact CG2-CG 3.85Å; I100-W128 HydrophobicContact CG2-CZ2 4.36Å; L112-W128 HydrophobicContact CD1-CB 3.93Å; L112-W128 HydrophobicContact CD1-CG 4.37Å; L112-W128 HydrophobicContact CD2-CB 4.31Å; R124-W128 VanDerWaalsContact O-CB 3.23Å; R124-W128 WeakPolarHBondContact O-CB 3.48Å; R124-W128 PolarHBondContact O-N 2.99Å; I125-W128 HydrophobicContact CG2-CE3 4.38Å; I125-W128 WeakPolarHBondContact O-CB 3.45Å; I125-W128 PolarHBondContact O-N 2.77Å; W128-R130 VanDerWaalsContact C-N 3.31Å; W128-R130 PolarHBondContact O-N 3.23Å; W128-C131 WeakPolarHBondContact O-CB 3.31Å; W128-C131 PolarHBondContact O-N 3.02Å; W128-A132 HydrophobicContact CZ2-CB 4.38Å; W128-A132 VanDerWaalsContact O-CB 3.3Å; W128-A132 WeakPolarHBondContact O-CB 3.45Å; W128-A132 PolarHBondContact O-N 2.98Å; W128-F138 HydrophobicContact CH2-CD2 4.19Å; W128-F138 HydrophobicContact CH2-CE2 4.13Å; W128-F141 HydrophobicContact CH2-CB 4.01Å; W128-F141 AromaticContact CH2-CD1 3.36Å; W128-F141 HydrophobicContact CH2-CD1 3.36Å; W128-F141 HydrophobicContact CH2-CD2 4.25Å; W128-F141 AromaticContact CH2-CE1 3.83Å; W128-F141 HydrophobicContact CH2-CE1 3.83Å; W128-F141 AromaticContact CH2-CG 3.59Å; W128-F141 HydrophobicContact CH2-CG 3.59Å; W128-F141 HydrophobicContact CH2-CZ 4.46Å; W128-F141 HydrophobicContact CZ2-CB 3.57Å; W128-F141 AromaticContact CZ2-CD1 3.83Å; W128-F141 HydrophobicContact CZ2-CD1 3.83Å; W128-F141 HydrophobicContact CZ2-CD2 4.05Å; W128-F141 AromaticContact CZ2-CG 3.52Å; W128-F141 HydrophobicContact CZ2-CG 3.52Å; W128-F141 HydrophobicContact CZ3-CD1 4.42Å
129L94.7Very high90.7Very high1 Ų128.3 Ų28.31%0.00516%0.157CC..Hα-helixtrans-57.2-45.5177.9174.261.6000111.6I52 I55 E56 L59 I125 S127 A132 L133 F138I52-L129 HydrophobicContact CG2-CD2 4.43Å; I55-L129 HydrophobicContact CB-CD2 4.42Å; I55-L129 HydrophobicContact CG2-CD1 3.72Å; I55-L129 HydrophobicContact CG2-CD2 3.97Å; E56-L129 HydrophobicContact CG-CD2 3.52Å; L59-L129 HydrophobicContact CD1-CD1 4.1Å; L59-L129 HydrophobicContact CD1-CD2 4.04Å; I125-L129 PolarHBondContact O-N 3.26Å; S127-L129 VanDerWaalsContact C-N 3.33Å; S127-L129 PolarHBondContact O-N 2.78Å; L129-A132 PolarHBondContact O-N 3.28Å; L129-L133 HydrophobicContact CD1-CD1 4.13Å; L129-L133 HydrophobicContact CD1-CG 4.22Å; L129-L133 HydrophobicContact CG-CD1 4.22Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 2.9Å; L129-F138 HydrophobicContact CD1-CD2 3.67Å; L129-F138 HydrophobicContact CD1-CE2 3.57Å; L129-F138 HydrophobicContact CD1-CG 4.45Å; L129-F138 HydrophobicContact CD1-CZ 4.29Å
130R93.3Very high91.2Very high11 Ų1128.9 Ų28.94%0.04215%0.145CC..Hα-helixtrans-62.4-43.8177.2-72.8169173.664.31.3111.9E43 E56 R126 S127 W128 L133 N134 L185 S186 I187 L192E43-R130 IonicContact OE1-CZ 3.98Å; E43-R130 IonicContact OE1-NE 2.69Å; E43-R130 PolarHBondContact OE1-NE 3.21Å; E56-R130 IonicContact OE1-CZ 3.96Å; E56-R130 IonicContact OE1-NH1 3.53Å; E56-R130 PolarHBondContact OE1-NH1 3.18Å; E56-R130 IonicContact OE1-NH2 2.67Å; R126-R130 WeakPolarHBondContact O-CG 3.43Å; R126-R130 PolarHBondContact O-N 3.49Å; R126-R130 PolarHBondContact O-NH1 3.12Å; S127-R130 PolarHBondContact O-N 3.49Å; W128-R130 VanDerWaalsContact C-N 3.31Å; W128-R130 PolarHBondContact O-N 3.23Å; R130-L133 PolarHBondContact O-N 3.46Å; R130-N134 WeakPolarHBondContact O-CB 3.06Å; R130-N134 PolarHBondContact O-N 2.92Å; R130-N134 PolarHBondContact O-OD1 3.44Å; R130-L185 HydrophobicContact CB-CB 3.94Å; R130-L185 HydrophobicContact CB-CD1 4.28Å; R130-L185 HydrophobicContact CG-CB 3.99Å; R130-L185 HydrophobicContact CG-CD1 4.07Å; R130-S186 VanDerWaalsContact CD-O 3.27Å; R130-S186 WeakPolarHBondContact CD-O 3.32Å; R130-I187 HydrophobicContact CB-CG1 4.31Å; R130-L192 VanDerWaalsContact NH2-CD2 3.28Å
131C93.3Very high91.7Very high18 Ų1827.3 Ų27.312%0.12213%0.133CC..Hα-helixtrans-60.2-48.4174.8-168.20000111.4L112 S127 W128 L133 N134 E135 I187L112-C131 HydrophobicContact CD2-CB 4.43Å; S127-C131 WeakPolarHBondContact O-CB 3.45Å; S127-C131 PolarHBondContact O-N 2.92Å; W128-C131 WeakPolarHBondContact O-CB 3.31Å; W128-C131 PolarHBondContact O-N 3.02Å; C131-L133 VanDerWaalsContact C-N 3.28Å; C131-L133 PolarHBondContact O-N 3.38Å; C131-N134 PolarHBondContact O-N 3.46Å; C131-N134 VanDerWaalsContact O-N 3.17Å; C131-E135 PolarHBondContact O-N 2.98Å; C131-I187 HydrophobicContact CB-CD1 3.8Å; C131-I187 HydrophobicContact CB-CG1 4.24Å; C131-I187 HydrophobicContact CB-CG2 4.39Å
132A93.4Very high92Very high4 Ų426 Ų263%0.03313%0.126CC..Hα-helixtrans-64.6-30.1-179.300000112.9W128 L129 N136 N137 F138W128-A132 HydrophobicContact CZ2-CB 4.38Å; W128-A132 VanDerWaalsContact O-CB 3.3Å; W128-A132 WeakPolarHBondContact O-CB 3.45Å; W128-A132 PolarHBondContact O-N 2.98Å; L129-A132 PolarHBondContact O-N 3.28Å; A132-N136 CarbonylContact O-C 3.13Å; A132-N136 PolarHBondContact O-N 2.98Å; A132-N137 PolarHBondContact O-N 3.34Å; A132-F138 HydrophobicContact CB-CB 4.12Å; A132-F138 PolarHBondContact O-N 2.89Å
133L91.8Very high92.3Very high4 Ų427.9 Ų27.92%0.02114%0.14CC..Hα-helixtrans-75.3-43.7171.9-71172.4000111.8I52 I55 L129 R130 C131 E135 N136 F138 L178 F183 L185I52-L133 HydrophobicContact CG1-CD1 4.19Å; I55-L133 HydrophobicContact CD1-CD2 4.46Å; L129-L133 HydrophobicContact CD1-CD1 4.13Å; L129-L133 HydrophobicContact CD1-CG 4.22Å; L129-L133 HydrophobicContact CG-CD1 4.22Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 2.9Å; R130-L133 PolarHBondContact O-N 3.46Å; C131-L133 VanDerWaalsContact C-N 3.28Å; C131-L133 PolarHBondContact O-N 3.38Å; L133-E135 VanDerWaalsContact C-N 3.28Å; L133-E135 PolarHBondContact O-N 3.49Å; L133-N136 PolarHBondContact O-N 3.46Å; L133-N136 PolarHBondContact O-OD1 3.35Å; L133-F138 HydrophobicContact CD2-CB 4.17Å; L133-F138 HydrophobicContact CD2-CD1 4.49Å; L133-F138 HydrophobicContact CD2-CG 4.37Å; L133-L178 HydrophobicContact CD2-CD1 4.29Å; L133-F183 HydrophobicContact CB-CB 4.48Å; L133-F183 HydrophobicContact CB-CD2 4.15Å; L133-F183 HydrophobicContact CB-CG 4.29Å; L133-L185 HydrophobicContact CB-CD1 4.16Å; L133-L185 HydrophobicContact CD1-CD1 4.02Å
134N90.9Very high92.5Very high37 Ų3729 Ų2920%0.19815%0.15CC..Hα-helixtrans-60.6-37.4176.9-70.1-9.4000112.4R130 C131 F183 A184 L185R130-N134 WeakPolarHBondContact O-CB 3.06Å; R130-N134 PolarHBondContact O-N 2.92Å; R130-N134 PolarHBondContact O-OD1 3.44Å; C131-N134 PolarHBondContact O-N 3.46Å; C131-N134 VanDerWaalsContact O-N 3.17Å; N134-F183 VanDerWaalsContact OD1-CB 3.25Å; N134-F183 WeakPolarHBondContact OD1-CB 3.4Å; N134-F183 PolarHBondContact OD1-O 3.35Å; N134-A184 PolarHBondContact OD1-N 3.37Å; N134-L185 PolarHBondContact ND2-N 3.23Å; N134-L185 PolarHBondContact ND2-O 2.93Å; N134-L185 WeakPolarHBondContact OD1-CB 3.47Å; N134-L185 PolarHBondContact OD1-N 3.4Å
135E90.2Very high92.5Very high103 Ų10326.1 Ų26.148%0.48114%0.139SC..THydrogen-bonded Turntrans-93.43.1-179.6-62.5-176.1173.100113.9C131 L133 N137C131-E135 PolarHBondContact O-N 2.98Å; L133-E135 VanDerWaalsContact C-N 3.28Å; L133-E135 PolarHBondContact O-N 3.49Å; E135-N137 HydrophobicContact CB-CB 4.37Å; E135-N137 WeakPolarHBondContact CB-ND2 3.46Å; E135-N137 PolarHBondContact O-N 2.96Å; E135-N137 VanDerWaalsContact O-N 3.12Å; E135-N137 PolarHBondContact OE2-ND2 2.91Å
136N88.4Confident92.5Very high53 Ų5327.9 Ų27.928%0.28315%0.149SC..THydrogen-bonded Turntrans5525.5-173.9-66.2-41.9000115.1A132 L133 N179 V181A132-N136 CarbonylContact O-C 3.13Å; A132-N136 PolarHBondContact O-N 2.98Å; L133-N136 PolarHBondContact O-N 3.46Å; L133-N136 PolarHBondContact O-OD1 3.35Å; N136-N179 VanDerWaalsContact CB-OD1 3.23Å; N136-N179 WeakPolarHBondContact CB-OD1 3.48Å; N136-N179 PolarHBondContact ND2-O 3.31Å; N136-N179 VanDerWaalsContact ND2-O 3.15Å; N136-V181 PolarHBondContact OD1-O 3.45Å
137N90.2Very high92.4Very high61 Ų6133.7 Ų33.733%0.32618%0.181SC..  trans-93.1-3.3-179.6-76.3-33000113.4A132 E135 G139 R140A132-N137 PolarHBondContact O-N 3.34Å; E135-N137 HydrophobicContact CB-CB 4.37Å; E135-N137 WeakPolarHBondContact CB-ND2 3.46Å; E135-N137 PolarHBondContact O-N 2.96Å; E135-N137 VanDerWaalsContact O-N 3.12Å; E135-N137 PolarHBondContact OE2-ND2 2.91Å; N137-G139 VanDerWaalsContact C-N 3.28Å; N137-G139 PolarHBondContact O-N 3.15Å; N137-R140 VanDerWaalsContact O-CB 3.27Å; N137-R140 WeakPolarHBondContact O-CB 3.29Å; N137-R140 PolarHBondContact O-N 3.11Å
138F93Very high92.3Very high5 Ų536.9 Ų36.92%0.02220%0.199CC..Hα-helixtrans-57-39.5-179.2-178-115.1000113I55 L59 W128 L129 A132 L133 R140 F141 I142 L171 A175I55-F138 HydrophobicContact CG2-CE1 4.15Å; I55-F138 HydrophobicContact CG2-CE2 4.12Å; I55-F138 HydrophobicContact CG2-CZ 3.57Å; L59-F138 HydrophobicContact CD1-CE2 4.27Å; W128-F138 HydrophobicContact CH2-CD2 4.19Å; W128-F138 HydrophobicContact CH2-CE2 4.13Å; L129-F138 HydrophobicContact CD1-CD2 3.67Å; L129-F138 HydrophobicContact CD1-CE2 3.57Å; L129-F138 HydrophobicContact CD1-CG 4.45Å; L129-F138 HydrophobicContact CD1-CZ 4.29Å; A132-F138 HydrophobicContact CB-CB 4.12Å; A132-F138 PolarHBondContact O-N 2.89Å; L133-F138 HydrophobicContact CD2-CB 4.17Å; L133-F138 HydrophobicContact CD2-CD1 4.49Å; L133-F138 HydrophobicContact CD2-CG 4.37Å; F138-R140 VanDerWaalsContact C-N 3.26Å; F138-R140 PolarHBondContact O-N 3.43Å; F138-F141 PolarHBondContact O-N 3.32Å; F138-I142 HydrophobicContact CD1-CG1 4.42Å; F138-I142 HydrophobicContact CE1-CD1 4.27Å; F138-I142 HydrophobicContact CE1-CG1 3.97Å; F138-I142 HydrophobicContact CE2-CD1 4.17Å; F138-I142 HydrophobicContact CE2-CG1 4.39Å; F138-I142 HydrophobicContact CZ-CD1 3.78Å; F138-I142 HydrophobicContact CZ-CG1 3.96Å; F138-I142 PolarHBondContact O-N 3.47Å; F138-L171 HydrophobicContact CE1-CD1 4.25Å; F138-L171 HydrophobicContact CE1-CG 4.48Å; F138-A175 HydrophobicContact CD1-CB 3.76Å; F138-A175 HydrophobicContact CE1-CB 4.24Å
139G91.5Very high92Very high22 Ų2240.3 Ų40.323%0.22722%0.215CC..Hα-helixtrans-62.6-27.3177.500000114.4N137 S143N137-G139 VanDerWaalsContact C-N 3.28Å; N137-G139 PolarHBondContact O-N 3.15Å; G139-S143 WeakPolarHBondContact O-CB 2.9Å; G139-S143 PolarHBondContact O-N 3.39Å; G139-S143 PolarHBondContact O-OG 2.84Å
140R92Very high91.7Very high106 Ų10643.4 Ų43.440%0.424%0.236SC..Hα-helixtrans-63-44.6175.8174.7-172.2164.2-162.70.6110.8V103 E108 N137 F138 S143 A144V103-R140 PolarHBondContact O-NH2 2.95Å; E108-R140 IonicContact OE1-NH1 3.85Å; E108-R140 IonicContact OE2-CZ 2.88Å; E108-R140 IonicContact OE2-NH1 3.62Å; E108-R140 PolarHBondContact OE2-NH1 3.26Å; E108-R140 IonicContact OE2-NH2 3.18Å; N137-R140 VanDerWaalsContact O-CB 3.27Å; N137-R140 WeakPolarHBondContact O-CB 3.29Å; N137-R140 PolarHBondContact O-N 3.11Å; F138-R140 VanDerWaalsContact C-N 3.26Å; F138-R140 PolarHBondContact O-N 3.43Å; R140-S143 PolarHBondContact O-N 3.48Å; R140-A144 WeakPolarHBondContact O-CB 3.35Å; R140-A144 PolarHBondContact O-N 2.83Å
141F92.5Very high91.6Very high6 Ų644.3 Ų44.33%0.02624%0.242CC..Hα-helixtrans-66-45.5179.3176.2-101.5000111.7F96 I100 V103 W128 F138 S143 A144 V145 M162F96-F141 HydrophobicContact CE2-CZ 4.09Å; I100-F141 HydrophobicContact CB-CE2 4.27Å; I100-F141 HydrophobicContact CG1-CD2 4.37Å; I100-F141 HydrophobicContact CG1-CE1 4.46Å; I100-F141 HydrophobicContact CG1-CE2 3.62Å; I100-F141 HydrophobicContact CG1-CZ 3.67Å; V103-F141 HydrophobicContact CB-CD2 4.09Å; V103-F141 HydrophobicContact CG1-CD2 4.25Å; V103-F141 HydrophobicContact CG2-CD2 4.01Å; V103-F141 HydrophobicContact CG2-CE2 4.16Å; W128-F141 HydrophobicContact CH2-CB 4.01Å; W128-F141 AromaticContact CH2-CD1 3.36Å; W128-F141 HydrophobicContact CH2-CD1 3.36Å; W128-F141 HydrophobicContact CH2-CD2 4.25Å; W128-F141 AromaticContact CH2-CE1 3.83Å; W128-F141 HydrophobicContact CH2-CE1 3.83Å; W128-F141 AromaticContact CH2-CG 3.59Å; W128-F141 HydrophobicContact CH2-CG 3.59Å; W128-F141 HydrophobicContact CH2-CZ 4.46Å; W128-F141 HydrophobicContact CZ2-CB 3.57Å; W128-F141 AromaticContact CZ2-CD1 3.83Å; W128-F141 HydrophobicContact CZ2-CD1 3.83Å; W128-F141 HydrophobicContact CZ2-CD2 4.05Å; W128-F141 AromaticContact CZ2-CG 3.52Å; W128-F141 HydrophobicContact CZ2-CG 3.52Å; W128-F141 HydrophobicContact CZ3-CD1 4.42Å; F138-F141 PolarHBondContact O-N 3.32Å; F141-S143 VanDerWaalsContact C-N 3.29Å; F141-S143 PolarHBondContact O-N 3.4Å; F141-A144 PolarHBondContact O-N 3.19Å; F141-V145 HydrophobicContact CD1-CG2 4.27Å; F141-V145 HydrophobicContact CD2-CG2 4.43Å; F141-V145 HydrophobicContact CE1-CG2 3.81Å; F141-V145 HydrophobicContact CE2-CG2 3.96Å; F141-V145 HydrophobicContact CZ-CG2 3.64Å; F141-V145 WeakPolarHBondContact O-CG2 3.41Å; F141-V145 PolarHBondContact O-N 3.38Å; F141-M162 HydrophobicContact CE1-CE 3.96Å
142I94.1Very high91.4Very high0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-61.3-41.2178.4-56.2-56.6000111.2F138 V145 L146 M162 L168 L171 A172F138-I142 HydrophobicContact CD1-CG1 4.42Å; F138-I142 HydrophobicContact CE1-CD1 4.27Å; F138-I142 HydrophobicContact CE1-CG1 3.97Å; F138-I142 HydrophobicContact CE2-CD1 4.17Å; F138-I142 HydrophobicContact CE2-CG1 4.39Å; F138-I142 HydrophobicContact CZ-CD1 3.78Å; F138-I142 HydrophobicContact CZ-CG1 3.96Å; F138-I142 PolarHBondContact O-N 3.47Å; I142-V145 PolarHBondContact O-N 2.9Å; I142-L146 HydrophobicContact CG2-CD1 4.28Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.43Å; I142-M162 HydrophobicContact CD1-CE 3.99Å; I142-L168 HydrophobicContact CD1-CD1 4.29Å; I142-L168 HydrophobicContact CG2-CD1 3.82Å; I142-L168 HydrophobicContact CG2-CG 4.08Å; I142-L171 HydrophobicContact CD1-CD2 3.75Å; I142-L171 HydrophobicContact CD1-CG 4.23Å; I142-L171 HydrophobicContact CG1-CD2 4.49Å; I142-L171 HydrophobicContact CG1-CG 4.45Å; I142-A172 HydrophobicContact CG2-CB 3.69Å
143S93Very high91.2Very high54 Ų5448.6 Ų48.638%0.37826%0.256SS..Hα-helixtrans-63.8-42.7175.7-55.30000111.8G139 R140 F141 V145 L146 D147G139-S143 WeakPolarHBondContact O-CB 2.9Å; G139-S143 PolarHBondContact O-N 3.39Å; G139-S143 PolarHBondContact O-OG 2.84Å; R140-S143 PolarHBondContact O-N 3.48Å; F141-S143 VanDerWaalsContact C-N 3.29Å; F141-S143 PolarHBondContact O-N 3.4Å; S143-V145 VanDerWaalsContact C-N 3.3Å; S143-V145 PolarHBondContact O-N 3.33Å; S143-L146 WeakPolarHBondContact O-CB 3.44Å; S143-L146 PolarHBondContact O-N 3.48Å; S143-D147 PolarHBondContact O-N 3.45Å
144A92.7Very high91Very high25 Ų2555.3 Ų55.321%0.20729%0.285CS..Hα-helixtrans-62.7-35.6176.400000112.8V103 R140 F141 N148V103-A144 HydrophobicContact CB-CB 4.49Å; V103-A144 HydrophobicContact CG1-CB 3.62Å; V103-A144 HydrophobicContact CG2-CB 3.96Å; R140-A144 WeakPolarHBondContact O-CB 3.35Å; R140-A144 PolarHBondContact O-N 2.83Å; F141-A144 PolarHBondContact O-N 3.19Å; A144-N148 PolarHBondContact O-N 2.95Å
145V91.6Very high90.7Very high2 Ų253.6 Ų53.61%0.01228%0.275CS..Hα-helixtrans-70.5-39.3174.11760000111.5F141 I142 S143 D147 N148 E149 L152 L168F141-V145 HydrophobicContact CD1-CG2 4.27Å; F141-V145 HydrophobicContact CD2-CG2 4.43Å; F141-V145 HydrophobicContact CE1-CG2 3.81Å; F141-V145 HydrophobicContact CE2-CG2 3.96Å; F141-V145 HydrophobicContact CZ-CG2 3.64Å; F141-V145 WeakPolarHBondContact O-CG2 3.41Å; F141-V145 PolarHBondContact O-N 3.38Å; I142-V145 PolarHBondContact O-N 2.9Å; S143-V145 VanDerWaalsContact C-N 3.3Å; S143-V145 PolarHBondContact O-N 3.33Å; V145-D147 VanDerWaalsContact C-N 3.3Å; V145-D147 PolarHBondContact O-N 2.88Å; V145-N148 CarbonylContact O-C 3.54Å; V145-N148 PolarHBondContact O-N 3.29Å; V145-E149 PolarHBondContact O-N 3.27Å; V145-L152 HydrophobicContact CG1-CD1 3.4Å; V145-L152 VanDerWaalsContact CG1-CD1 3.4Å; V145-L152 HydrophobicContact CG1-CG 3.84Å; V145-L168 HydrophobicContact CB-CD2 4.17Å; V145-L168 HydrophobicContact CG1-CD2 3.55Å
146L92.4Very high90.6Very high39 Ų3948.7 Ų48.720%0.20425%0.252CS..Hα-helixtrans-63.4-36174.9-78.2166.2000112.3I142 S143 R165 L168 A172I142-L146 HydrophobicContact CG2-CD1 4.28Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.43Å; S143-L146 WeakPolarHBondContact O-CB 3.44Å; S143-L146 PolarHBondContact O-N 3.48Å; L146-R165 HydrophobicContact CD2-CG 4.2Å; L146-L168 HydrophobicContact CD2-CB 4.05Å; L146-L168 HydrophobicContact CD2-CD2 3.59Å; L146-L168 HydrophobicContact CD2-CG 3.8Å; L146-L168 HydrophobicContact CG-CD2 3.66Å; L146-L168 HydrophobicContact CG-CG 3.87Å; L146-A172 HydrophobicContact CD1-CB 3.91Å
147D93.1Very high90.5Very high147 Ų14748.3 Ų48.379%0.78625%0.249SC*.Hα-helixtrans-76.2-31.2176.9-70-21000112.2S143 V145S143-D147 PolarHBondContact O-N 3.45Å; V145-D147 VanDerWaalsContact C-N 3.3Å; V145-D147 PolarHBondContact O-N 2.88Å
148N91.1Very high90.1Very high68 Ų6850.2 Ų50.236%0.36426%0.259SS..  trans-135.284.4-179.7-173.25.9000112.6A144 V145 S150 L151A144-N148 PolarHBondContact O-N 2.95Å; V145-N148 CarbonylContact O-C 3.54Å; V145-N148 PolarHBondContact O-N 3.29Å; N148-S150 PolarHBondContact O-N 3.29Å; N148-S150 VanDerWaalsContact O-N 3.09Å; N148-S150 WeakPolarHBondContact OD1-CB 3.49Å; N148-S150 PolarHBondContact OD1-N 3.43Å; N148-S150 PolarHBondContact OD1-OG 2.77Å; N148-L151 HydrophobicContact CB-CD1 4.12Å; N148-L151 HydrophobicContact CB-CG 4.03Å; N148-L151 WeakPolarHBondContact O-CB 3.45Å; N148-L151 VanDerWaalsContact O-CG 3.28Å; N148-L151 WeakPolarHBondContact O-CG 3.33Å; N148-L151 PolarHBondContact O-N 2.86Å; N148-L151 VanDerWaalsContact O-N 3.17Å
149E89Confident89.5Confident81 Ų8152.3 Ų52.338%0.37927%0.267SS..G310 helixtrans-59.4-24.8178.5-62.5-179.7-179.700113V145 L151 L152 Y153V145-E149 PolarHBondContact O-N 3.27Å; E149-L151 PolarHBondContact O-N 2.95Å; E149-L152 PolarHBondContact O-N 2.85Å; E149-Y153 HydrophobicContact CB-CE1 4.31Å; E149-Y153 WeakPolarHBondContact O-CD1 3.32Å; E149-Y153 WeakPolarHBondContact O-CE1 3.49Å
150S89.3Confident89.4Confident65 Ų6551.3 Ų51.346%0.45526%0.256SS..G310 helixtrans-66.4-18.7-178.7780000113.5N148 L152 Y153N148-S150 PolarHBondContact O-N 3.29Å; N148-S150 VanDerWaalsContact O-N 3.09Å; N148-S150 WeakPolarHBondContact OD1-CB 3.49Å; N148-S150 PolarHBondContact OD1-N 3.43Å; N148-S150 PolarHBondContact OD1-OG 2.77Å; S150-L152 PolarHBondContact O-N 3.04Å; S150-L152 VanDerWaalsContact O-N 3.16Å; S150-Y153 PolarHBondContact O-N 3.37Å
151L89.3Confident89.3Confident31 Ų3146.2 Ų46.216%0.16224%0.237CC..G310 helixtrans-56.3-30.7174.7-67.9178.5000112.2S99 S102 V103 N148 E149S99-L151 WeakPolarHBondContact CB-O 3.39Å; S99-L151 PolarHBondContact OG-O 2.86Å; S102-L151 WeakPolarHBondContact OG-CD2 3.29Å; V103-L151 HydrophobicContact CG2-CD1 3.9Å; N148-L151 HydrophobicContact CB-CD1 4.12Å; N148-L151 HydrophobicContact CB-CG 4.03Å; N148-L151 WeakPolarHBondContact O-CB 3.45Å; N148-L151 VanDerWaalsContact O-CG 3.28Å; N148-L151 WeakPolarHBondContact O-CG 3.33Å; N148-L151 PolarHBondContact O-N 2.86Å; N148-L151 VanDerWaalsContact O-N 3.17Å; E149-L151 PolarHBondContact O-N 2.95Å
152L90.8Very high89.3Confident1 Ų146 Ų461%0.00524%0.237CC..G310 helixtrans-100.2-3.3-175.6-60.2-175000114.2F96 V145 E149 S150 K154 S155 H156 M162 R163F96-L152 HydrophobicContact CD2-CD2 4.43Å; F96-L152 HydrophobicContact CE2-CD2 4.22Å; V145-L152 HydrophobicContact CG1-CD1 3.4Å; V145-L152 VanDerWaalsContact CG1-CD1 3.4Å; V145-L152 HydrophobicContact CG1-CG 3.84Å; E149-L152 PolarHBondContact O-N 2.85Å; S150-L152 PolarHBondContact O-N 3.04Å; S150-L152 VanDerWaalsContact O-N 3.16Å; L152-K154 PolarHBondContact O-N 3.34Å; L152-S155 WeakPolarHBondContact CA-OG 3.47Å; L152-S155 PolarHBondContact O-N 2.95Å; L152-S155 PolarHBondContact O-OG 2.91Å; L152-H156 HydrophobicContact CB-CB 4.29Å; L152-H156 PolarHBondContact O-N 3.02Å; L152-M162 HydrophobicContact CD1-CB 3.5Å; L152-M162 HydrophobicContact CD1-CE 4.26Å; L152-R163 HydrophobicContact CB-CG 4.21Å; L152-R163 HydrophobicContact CD1-CG 4.45Å
153Y89.4Confident89.2Confident111 Ų11149.4 Ų49.444%0.43525%0.249SC..THydrogen-bonded Turntrans-64.4-31.5-174.3-73.41.3000113.1R64 E149 S150R64-Y153 PolarHBondContact NE-O 2.91Å; R64-Y153 PolarHBondContact NH2-O 3.4Å; E149-Y153 HydrophobicContact CB-CE1 4.31Å; E149-Y153 WeakPolarHBondContact O-CD1 3.32Å; E149-Y153 WeakPolarHBondContact O-CE1 3.49Å; S150-Y153 PolarHBondContact O-N 3.37Å
154K86.3Confident89.1Confident145 Ų14548.2 Ų48.263%0.6324%0.239SC*.THydrogen-bonded Turntrans-83.1-29177-63.2-173.1-179.3-178.30113.6R64 E95 L152R64-K154 WeakPolarHBondContact CD-O 3.45Å; E95-K154 HydrophobicContact CB-CB 4.36Å; E95-K154 HydrophobicContact CG-CB 4.46Å; E95-K154 VanDerWaalsContact OE2-CD 3.3Å; E95-K154 WeakPolarHBondContact OE2-CD 3.39Å; L152-K154 PolarHBondContact O-N 3.34Å
155S85.9Confident89.1Confident0 Ų054.6 Ų54.60%026%0.257CS..THydrogen-bonded Turntrans-97.4-28.6-174.954.30000113.7L63 R64 F96 S99 L152L63-S155 CarbonylContact C-O 3.5Å; L63-S155 WeakPolarHBondContact CA-O 3.46Å; L63-S155 WeakPolarHBondContact CD2-O 3.39Å; R64-S155 PolarHBondContact N-O 2.8Å; F96-S155 VanDerWaalsContact CA-CB 3.46Å; S99-S155 PolarHBondContact OG-OG 3.22Å; L152-S155 WeakPolarHBondContact CA-OG 3.47Å; L152-S155 PolarHBondContact O-N 2.95Å; L152-S155 PolarHBondContact O-OG 2.91Å
156H87.9Confident89.1Confident0 Ų060.5 Ų60.50%029%0.289CS..BIsolated β-bridgetrans-124.3139.7-174.5-67.873.4000114L59 G62 L63 R64 F96 L152 A160 R163L59-H156 PolarHBondContact O-NE2 2.63Å; G62-H156 CarbonylContact O-C 3.49Å; G62-H156 VanDerWaalsContact O-CA 3.27Å; G62-H156 WeakPolarHBondContact O-CA 3.17Å; L63-H156 VanDerWaalsContact CD2-CE1 3.44Å; L63-H156 WeakPolarHBondContact CD2-CE1 3.4Å; R64-H156 PolarHBondContact NE-O 2.99Å; R64-H156 PolarHBondContact NH2-O 3.02Å; F96-H156 AromaticContact CD2-CE1 3.65Å; F96-H156 AromaticContact CE2-CE1 3.64Å; F96-H156 AromaticContact CG-CE1 3.96Å; F96-H156 AromaticContact CZ-CE1 3.92Å; L152-H156 HydrophobicContact CB-CB 4.29Å; L152-H156 PolarHBondContact O-N 3.02Å; H156-A160 HydrophobicContact CB-CB 3.85Å; H156-R163 HydrophobicContact CB-CG 3.98Å; H156-R163 WeakPolarHBondContact O-CD 3.39Å; H156-R163 PolarHBondContact O-NH1 3.14Å
157E85.1Confident89.1Confident46 Ų4660.3 Ų60.322%0.21529%0.286CS..  trans-65.2152.5167.4-64.8-59.3151.500111.6G62 R64 W159 A160 R163G62-E157 PolarHBondContact O-N 3.12Å; R64-E157 HydrophobicContact CG-CG 4.18Å; R64-E157 WeakPolarHBondContact CG-OE1 3.36Å; R64-E157 IonicContact CZ-OE1 3.01Å; R64-E157 IonicContact CZ-OE2 2.85Å; R64-E157 IonicContact NH1-OE1 3.56Å; R64-E157 PolarHBondContact NH1-OE1 2.83Å; R64-E157 IonicContact NH1-OE2 3.91Å; R64-E157 PolarHBondContact NH1-OE2 3.07Å; R64-E157 IonicContact NH2-OE2 3.92Å; E157-W159 HydrophobicContact CB-CD2 4.01Å; E157-W159 HydrophobicContact CB-CG 4.23Å; E157-W159 HydrophobicContact CB-CZ2 3.96Å; E157-W159 HydrophobicContact CG-CZ2 3.92Å; E157-W159 PolarHBondContact O-N 3.26Å; E157-A160 WeakPolarHBondContact O-CB 3.28Å; E157-A160 PolarHBondContact O-N 3.1Å; E157-R163 VanDerWaalsContact O-CD 3.27Å; E157-R163 WeakPolarHBondContact O-CD 3.36Å
158D81.7Confident89.1Confident101 Ų10153.5 Ų53.554%0.5425%0.25SS..THydrogen-bonded Turntrans-61.5-27-176.259.7-22.8000114.6A160 R163D158-A160 VanDerWaalsContact C-N 3.32Å; D158-R163 VanDerWaalsContact CA-CZ 3.48Å
159W81.4Confident89.3Confident49 Ų4952.2 Ų52.219%0.18625%0.248CC..THydrogen-bonded Turntrans-83.1-3.6175.353.6-102.1000114.7C7 H14 R18 H61 E157C7-W159 PolarHBondContact SG-NE1 3.29Å; H14-W159 HydrophobicContact CB-CB 3.89Å; H14-W159 AromaticContact CD2-CD2 3.79Å; H14-W159 AromaticContact CD2-CG 3.51Å; H14-W159 AromaticContact CE1-CD2 3.25Å; H14-W159 AromaticContact CE1-CE2 3.53Å; H14-W159 AromaticContact CE1-CE3 3.24Å; H14-W159 AromaticContact CE1-CG 3.85Å; H14-W159 AromaticContact CE1-CH2 3.73Å; H14-W159 AromaticContact CE1-CZ2 3.79Å; H14-W159 AromaticContact CE1-CZ3 3.47Å; H14-W159 VanDerWaalsContact CE1-CZ3 3.47Å; H14-W159 WeakPolarHBondContact CE1-CZ3 3.38Å; H14-W159 AromaticContact CG-CD2 3.88Å; H14-W159 AromaticContact CG-CE3 3.84Å; H14-W159 AromaticContact CG-CG 3.85Å; H14-W159 AromaticContact ND1-CD2 3.57Å; H14-W159 AromaticContact ND1-CE3 3.21Å; H14-W159 AromaticContact ND1-CZ3 3.65Å; H14-W159 AromaticContact NE2-CD1 3.75Å; H14-W159 AromaticContact NE2-CD2 3.37Å; H14-W159 AromaticContact NE2-CE2 3.56Å; H14-W159 AromaticContact NE2-CE3 3.85Å; H14-W159 AromaticContact NE2-CG 3.49Å; H14-W159 AromaticContact NE2-NE1 3.76Å; R18-W159 PolarHBondContact NH1-O 2.81Å; H61-W159 AromaticContact CE1-CE3 3.86Å; H61-W159 AromaticContact CE1-CZ3 3.88Å; H61-W159 AromaticContact NE2-CE3 3.99Å; H61-W159 AromaticContact NE2-CZ3 3.63Å; E157-W159 HydrophobicContact CB-CD2 4.01Å; E157-W159 HydrophobicContact CB-CG 4.23Å; E157-W159 HydrophobicContact CB-CZ2 3.96Å; E157-W159 HydrophobicContact CG-CZ2 3.92Å; E157-W159 PolarHBondContact O-N 3.26Å
160A88.4Confident89.4Confident0 Ų050.1 Ų50.10%024%0.243CC..SBendtrans-59.2156.2-177.600000113.4H61 H156 E157 D158 R163 D164H61-A160 VanDerWaalsContact O-CB 3.26Å; H61-A160 WeakPolarHBondContact O-CB 3.33Å; H156-A160 HydrophobicContact CB-CB 3.85Å; E157-A160 WeakPolarHBondContact O-CB 3.28Å; E157-A160 PolarHBondContact O-N 3.1Å; D158-A160 VanDerWaalsContact C-N 3.32Å; A160-R163 HydrophobicContact CB-CB 4.35Å; A160-R163 HydrophobicContact CB-CG 4.39Å; A160-R163 PolarHBondContact O-N 2.82Å; A160-D164 PolarHBondContact O-N 3.42Å
161F91.2Very high89.6Confident0 Ų047 Ų470%022%0.221CC..G310 helixtrans-63.9-46.8179-179.7-82.4000110.6R18 L21 L22 L25 A58 H61 R163 D164 K167 L171R18-F161 HydrophobicContact CB-CD2 4.27Å; R18-F161 HydrophobicContact CG-CB 4.41Å; R18-F161 HydrophobicContact CG-CD2 4.37Å; L21-F161 HydrophobicContact CB-CD2 3.93Å; L21-F161 HydrophobicContact CB-CE2 4.06Å; L21-F161 HydrophobicContact CD1-CB 4.41Å; L21-F161 HydrophobicContact CD1-CD2 4.21Å; L22-F161 HydrophobicContact CB-CE2 4.09Å; L22-F161 HydrophobicContact CD1-CZ 4.46Å; L25-F161 HydrophobicContact CD1-CE1 4.13Å; L25-F161 HydrophobicContact CD1-CE2 4.16Å; L25-F161 HydrophobicContact CD1-CZ 3.56Å; A58-F161 HydrophobicContact CB-CD1 3.72Å; A58-F161 HydrophobicContact CB-CE1 3.86Å; A58-F161 HydrophobicContact CB-CG 4.1Å; A58-F161 HydrophobicContact CB-CZ 4.32Å; H61-F161 HydrophobicContact CB-CB 4.1Å; H61-F161 WeakPolarHBondContact ND1-CB 3.36Å; H61-F161 PolarHBondContact ND1-N 2.79Å; H61-F161 PolarHBondContact O-N 2.79Å; F161-R163 PolarHBondContact O-N 2.63Å; F161-D164 PolarHBondContact O-N 2.92Å; F161-D164 VanDerWaalsContact O-N 3.13Å; F161-K167 HydrophobicContact CD2-CB 4.26Å; F161-K167 HydrophobicContact CE1-CB 4.14Å; F161-K167 HydrophobicContact CE2-CB 3.82Å; F161-K167 HydrophobicContact CE2-CG 4.33Å; F161-K167 HydrophobicContact CZ-CB 3.75Å; F161-L171 HydrophobicContact CE1-CB 4.24Å; F161-L171 HydrophobicContact CE1-CD2 4.05Å
162M92.1Very high89.8Confident2 Ų246 Ų461%0.0122%0.217CC..G310 helixtrans-66.5-16.2-178.3-67.3-69.2-68.700114L59 F141 I142 L152 L168 L171L59-M162 HydrophobicContact CD2-CE 3.77Å; L59-M162 HydrophobicContact CD2-SD 3.73Å; F141-M162 HydrophobicContact CE1-CE 3.96Å; I142-M162 HydrophobicContact CD1-CE 3.99Å; L152-M162 HydrophobicContact CD1-CB 3.5Å; L152-M162 HydrophobicContact CD1-CE 4.26Å; M162-L168 HydrophobicContact CE-CD1 3.81Å; M162-L168 HydrophobicContact SD-CD1 3.79Å; M162-L171 HydrophobicContact SD-CD2 3.9Å
163R91.3Very high89.9Confident71 Ų7149.7 Ų49.727%0.26824%0.237SC..G310 helixtrans-94.9-6.8176.8-70.4-168.355.3-166.6-3.3113.5L152 H156 E157 D158 A160 F161 R165L152-R163 HydrophobicContact CB-CG 4.21Å; L152-R163 HydrophobicContact CD1-CG 4.45Å; H156-R163 HydrophobicContact CB-CG 3.98Å; H156-R163 WeakPolarHBondContact O-CD 3.39Å; H156-R163 PolarHBondContact O-NH1 3.14Å; E157-R163 VanDerWaalsContact O-CD 3.27Å; E157-R163 WeakPolarHBondContact O-CD 3.36Å; D158-R163 VanDerWaalsContact CA-CZ 3.48Å; A160-R163 HydrophobicContact CB-CB 4.35Å; A160-R163 HydrophobicContact CB-CG 4.39Å; A160-R163 PolarHBondContact O-N 2.82Å; F161-R163 PolarHBondContact O-N 2.63Å; R163-R165 PolarHBondContact O-N 2.98Å
164D91.5Very high89.9Confident29 Ų2944.5 Ų44.516%0.15522%0.217CC..  trans-87.3104.7171.2-171.9-37.6000109.7R18 A160 F161 N166 K167 L168R18-D164 IonicContact CZ-OD2 3.02Å; R18-D164 IonicContact NE-OD2 3.52Å; R18-D164 PolarHBondContact NE-OD2 3.49Å; R18-D164 IonicContact NH2-OD2 2.68Å; R18-D164 PolarHBondContact NH2-OD2 3.27Å; A160-D164 PolarHBondContact O-N 3.42Å; F161-D164 PolarHBondContact O-N 2.92Å; F161-D164 VanDerWaalsContact O-N 3.13Å; D164-N166 PolarHBondContact O-N 3.26Å; D164-N166 PolarHBondContact OD1-N 3.45Å; D164-N166 VanDerWaalsContact OD1-N 3.12Å; D164-K167 HydrophobicContact CB-CB 4.09Å; D164-K167 HydrophobicContact CB-CG 3.82Å; D164-K167 VanDerWaalsContact CG-CG 3.47Å; D164-K167 PolarHBondContact O-N 3.34Å; D164-K167 VanDerWaalsContact O-N 3.1Å; D164-K167 PolarHBondContact OD1-N 3.03Å; D164-L168 WeakPolarHBondContact O-CB 3.33Å; D164-L168 PolarHBondContact O-N 3.2Å
165R92.6Very high90.1Very high159 Ų15938 Ų3860%0.619%0.19SC*.Hα-helixtrans-56.3-35-175.6-172.1174.2-178.1175.32.6113.6L146 R163 A169L146-R165 HydrophobicContact CD2-CG 4.2Å; R163-R165 PolarHBondContact O-N 2.98Å; R165-A169 WeakPolarHBondContact O-CB 3.33Å; R165-A169 PolarHBondContact O-N 3.02Å
166N91.9Very high90.3Very high126 Ų12644.6 Ų44.667%0.67422%0.219SC*.Hα-helixtrans-70.4-42.4179.8-63.8-46.4000110.8D164 A169 S170D164-N166 PolarHBondContact O-N 3.26Å; D164-N166 PolarHBondContact OD1-N 3.45Å; D164-N166 VanDerWaalsContact OD1-N 3.12Å; N166-A169 PolarHBondContact O-N 2.97Å; N166-S170 PolarHBondContact O-N 3.28Å; N166-S170 PolarHBondContact O-OG 3.03Å
167K92Very high90.2Very high34 Ų3448.7 Ų48.715%0.14824%0.238CC..Hα-helixtrans-69.2-39.1177-54.5-57.1-178.4-157.20111.6R18 D19 L22 F161 D164 A169 S170 L171R18-K167 HydrophobicContact CB-CG 4.48Å; D19-K167 WeakPolarHBondContact OD1-CE 3.5Å; D19-K167 IonicContact OD1-NZ 2.82Å; D19-K167 PolarHBondContact OD1-NZ 2.94Å; L22-K167 HydrophobicContact CB-CD 4.27Å; L22-K167 HydrophobicContact CD2-CD 3.58Å; L22-K167 HydrophobicContact CG-CD 4.45Å; F161-K167 HydrophobicContact CD2-CB 4.26Å; F161-K167 HydrophobicContact CE1-CB 4.14Å; F161-K167 HydrophobicContact CE2-CB 3.82Å; F161-K167 HydrophobicContact CE2-CG 4.33Å; F161-K167 HydrophobicContact CZ-CB 3.75Å; D164-K167 HydrophobicContact CB-CB 4.09Å; D164-K167 HydrophobicContact CB-CG 3.82Å; D164-K167 VanDerWaalsContact CG-CG 3.47Å; D164-K167 PolarHBondContact O-N 3.34Å; D164-K167 VanDerWaalsContact O-N 3.1Å; D164-K167 PolarHBondContact OD1-N 3.03Å; K167-A169 VanDerWaalsContact C-N 3.33Å; K167-A169 PolarHBondContact O-N 2.95Å; K167-S170 PolarHBondContact O-N 3Å; K167-L171 PolarHBondContact O-N 3.44Å
168L93.7Very high90.2Very high5 Ų546.7 Ų46.73%0.02623%0.229CC..Hα-helixtrans-64.4-37.5176.1-170.467000111.7I142 V145 L146 M162 D164 L171 A172I142-L168 HydrophobicContact CD1-CD1 4.29Å; I142-L168 HydrophobicContact CG2-CD1 3.82Å; I142-L168 HydrophobicContact CG2-CG 4.08Å; V145-L168 HydrophobicContact CB-CD2 4.17Å; V145-L168 HydrophobicContact CG1-CD2 3.55Å; L146-L168 HydrophobicContact CD2-CB 4.05Å; L146-L168 HydrophobicContact CD2-CD2 3.59Å; L146-L168 HydrophobicContact CD2-CG 3.8Å; L146-L168 HydrophobicContact CG-CD2 3.66Å; L146-L168 HydrophobicContact CG-CG 3.87Å; M162-L168 HydrophobicContact CE-CD1 3.81Å; M162-L168 HydrophobicContact SD-CD1 3.79Å; D164-L168 WeakPolarHBondContact O-CB 3.33Å; D164-L168 PolarHBondContact O-N 3.2Å; L168-L171 HydrophobicContact CD1-CD2 4.36Å; L168-L171 PolarHBondContact O-N 3.02Å; L168-A172 PolarHBondContact O-N 3.34Å
169A93.6Very high90.3Very high40 Ų4046.3 Ų46.333%0.33123%0.227SC..Hα-helixtrans-62.9-43.4172.400000111.9R165 N166 K167 L171 A172 D173R165-A169 WeakPolarHBondContact O-CB 3.33Å; R165-A169 PolarHBondContact O-N 3.02Å; N166-A169 PolarHBondContact O-N 2.97Å; K167-A169 VanDerWaalsContact C-N 3.33Å; K167-A169 PolarHBondContact O-N 2.95Å; A169-L171 VanDerWaalsContact C-N 3.32Å; A169-L171 PolarHBondContact O-N 3.04Å; A169-A172 VanDerWaalsContact O-CB 3.3Å; A169-A172 WeakPolarHBondContact O-CB 3.5Å; A169-A172 PolarHBondContact O-N 2.82Å; A169-A172 VanDerWaalsContact O-N 3.12Å; A169-D173 PolarHBondContact O-N 2.99Å
170S92.9Very high90.2Very high38 Ų3847.7 Ų47.727%0.26626%0.256SS..Hα-helixtrans-63.8-36.3173.5-55.30000112.7N166 K167 A172 D173 V174N166-S170 PolarHBondContact O-N 3.28Å; N166-S170 PolarHBondContact O-OG 3.03Å; K167-S170 PolarHBondContact O-N 3Å; S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.14Å; S170-D173 PolarHBondContact O-N 3.48Å; S170-V174 WeakPolarHBondContact O-CG2 3.49Å; S170-V174 PolarHBondContact O-N 3.39Å
171L93.7Very high89.9Confident0 Ų048.3 Ų48.30%026%0.26CS..Hα-helixtrans-65.5-33.9172.7-17861.1000111.8L25 F138 I142 F161 M162 K167 L168 A169 D173 V174 A175L25-L171 HydrophobicContact CD1-CD1 4.13Å; L25-L171 HydrophobicContact CD2-CD1 4.23Å; F138-L171 HydrophobicContact CE1-CD1 4.25Å; F138-L171 HydrophobicContact CE1-CG 4.48Å; I142-L171 HydrophobicContact CD1-CD2 3.75Å; I142-L171 HydrophobicContact CD1-CG 4.23Å; I142-L171 HydrophobicContact CG1-CD2 4.49Å; I142-L171 HydrophobicContact CG1-CG 4.45Å; F161-L171 HydrophobicContact CE1-CB 4.24Å; F161-L171 HydrophobicContact CE1-CD2 4.05Å; M162-L171 HydrophobicContact SD-CD2 3.9Å; K167-L171 PolarHBondContact O-N 3.44Å; L168-L171 HydrophobicContact CD1-CD2 4.36Å; L168-L171 PolarHBondContact O-N 3.02Å; A169-L171 VanDerWaalsContact C-N 3.32Å; A169-L171 PolarHBondContact O-N 3.04Å; L171-D173 VanDerWaalsContact C-N 3.35Å; L171-V174 WeakPolarHBondContact O-CB 3.33Å; L171-V174 PolarHBondContact O-N 3.1Å; L171-A175 PolarHBondContact O-N 3.47Å
172A93Very high89.6Confident9 Ų953.9 Ų53.97%0.07429%0.286CS..Hα-helixtrans-65.5-38.7172.700000111.7I142 L146 L168 A169 S170 A175 K176I142-A172 HydrophobicContact CG2-CB 3.69Å; L146-A172 HydrophobicContact CD1-CB 3.91Å; L168-A172 PolarHBondContact O-N 3.34Å; A169-A172 VanDerWaalsContact O-CB 3.3Å; A169-A172 WeakPolarHBondContact O-CB 3.5Å; A169-A172 PolarHBondContact O-N 2.82Å; A169-A172 VanDerWaalsContact O-N 3.12Å; S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.14Å; A172-A175 PolarHBondContact O-N 3.35Å; A172-K176 WeakPolarHBondContact O-CG 3.34Å; A172-K176 PolarHBondContact O-N 2.93Å
173D91.6Very high89.4Confident79 Ų7953.9 Ų53.942%0.42229%0.286SS..Hα-helixtrans-66.3-41.6174.2-66.3-30.1000111.5A169 S170 L171 A175 K176 E177A169-D173 PolarHBondContact O-N 2.99Å; S170-D173 PolarHBondContact O-N 3.48Å; L171-D173 VanDerWaalsContact C-N 3.35Å; D173-A175 VanDerWaalsContact C-N 3.3Å; D173-A175 PolarHBondContact O-N 3.37Å; D173-K176 WeakPolarHBondContact O-CB 3.37Å; D173-K176 PolarHBondContact O-N 3.32Å; D173-K176 IonicContact OD1-NZ 2.63Å; D173-K176 PolarHBondContact OD1-NZ 3.22Å; D173-E177 VanDerWaalsContact O-CG 3.3Å; D173-E177 WeakPolarHBondContact O-CG 3.44Å; D173-E177 PolarHBondContact O-N 2.86Å
174V90.9Very high89.3Confident1 Ų152.8 Ų52.81%0.00629%0.292CS..Hα-helixtrans-56.4-44.6169.8168.40000111.2L26 T29 S170 L171 K176 E177 L178L26-V174 HydrophobicContact CD2-CG2 3.83Å; T29-V174 HydrophobicContact CG2-CG1 4.09Å; T29-V174 WeakPolarHBondContact OG1-CG1 3.27Å; S170-V174 WeakPolarHBondContact O-CG2 3.49Å; S170-V174 PolarHBondContact O-N 3.39Å; L171-V174 WeakPolarHBondContact O-CB 3.33Å; L171-V174 PolarHBondContact O-N 3.1Å; V174-K176 VanDerWaalsContact C-N 3.34Å; V174-K176 PolarHBondContact O-N 2.85Å; V174-E177 WeakPolarHBondContact O-CB 3.27Å; V174-E177 PolarHBondContact O-N 3.38Å; V174-L178 HydrophobicContact CG1-CD1 4.01Å; V174-L178 HydrophobicContact CG1-CG 4.44Å; V174-L178 WeakPolarHBondContact O-CG 3.32Å; V174-L178 PolarHBondContact O-N 3.42Å
175A90.9Very high89.3Confident9 Ų951.8 Ų51.87%0.07429%0.287CS..Hα-helixtrans-63.1-37.9178.400000112.7F138 L171 A172 D173 E177 L178 N179F138-A175 HydrophobicContact CD1-CB 3.76Å; F138-A175 HydrophobicContact CE1-CB 4.24Å; L171-A175 PolarHBondContact O-N 3.47Å; A172-A175 PolarHBondContact O-N 3.35Å; D173-A175 VanDerWaalsContact C-N 3.3Å; D173-A175 PolarHBondContact O-N 3.37Å; A175-E177 VanDerWaalsContact C-N 3.32Å; A175-L178 PolarHBondContact O-N 3.39Å; A175-N179 PolarHBondContact O-N 3.46Å
176K89.4Confident89.3Confident139 Ų13947.2 Ų47.260%0.60428%0.279SS*.Hα-helixtrans-64.2-39.2173.9-67.9169.3-162.7157.60111.6A172 D173 V174 L178 N179A172-K176 WeakPolarHBondContact O-CG 3.34Å; A172-K176 PolarHBondContact O-N 2.93Å; D173-K176 WeakPolarHBondContact O-CB 3.37Å; D173-K176 PolarHBondContact O-N 3.32Å; D173-K176 IonicContact OD1-NZ 2.63Å; D173-K176 PolarHBondContact OD1-NZ 3.22Å; V174-K176 VanDerWaalsContact C-N 3.34Å; V174-K176 PolarHBondContact O-N 2.85Å; K176-L178 VanDerWaalsContact C-N 3.28Å; K176-L178 PolarHBondContact O-N 2.95Å; K176-N179 WeakPolarHBondContact O-CB 3.26Å; K176-N179 PolarHBondContact O-N 3.26Å
177E85.2Confident89.2Confident85 Ų8543.4 Ų43.440%0.39726%0.258SS..Hα-helixtrans-67.4-28.7178.3-69.7179.8149.400113T29 K33 D173 V174 A175T29-E177 HydrophobicContact CG2-CB 4.42Å; T29-E177 WeakPolarHBondContact CG2-OE2 3.39Å; K33-E177 VanDerWaalsContact CE-CD 3.41Å; K33-E177 WeakPolarHBondContact CE-OE2 3.4Å; K33-E177 IonicContact NZ-OE1 2.85Å; K33-E177 PolarHBondContact NZ-OE1 2.95Å; K33-E177 IonicContact NZ-OE2 3.77Å; K33-E177 PolarHBondContact NZ-OE2 3.17Å; D173-E177 VanDerWaalsContact O-CG 3.3Å; D173-E177 WeakPolarHBondContact O-CG 3.44Å; D173-E177 PolarHBondContact O-N 2.86Å; V174-E177 WeakPolarHBondContact O-CB 3.27Å; V174-E177 PolarHBondContact O-N 3.38Å; A175-E177 VanDerWaalsContact C-N 3.32Å
178L85.7Confident89.2Confident4 Ų444.6 Ų44.62%0.02127%0.266CS..Hα-helixtrans-82.7-14.5177.5-65.3174.7000113.9T29 L51 I55 L133 V174 A175 K176 G180 V181 F183T29-L178 HydrophobicContact CG2-CD2 4.24Å; L51-L178 HydrophobicContact CD1-CD1 4.39Å; L51-L178 HydrophobicContact CD2-CD1 3.95Å; L51-L178 HydrophobicContact CD2-CD2 3.62Å; L51-L178 HydrophobicContact CD2-CG 4.45Å; I55-L178 HydrophobicContact CD1-CD1 4.17Å; L133-L178 HydrophobicContact CD2-CD1 4.29Å; V174-L178 HydrophobicContact CG1-CD1 4.01Å; V174-L178 HydrophobicContact CG1-CG 4.44Å; V174-L178 WeakPolarHBondContact O-CG 3.32Å; V174-L178 PolarHBondContact O-N 3.42Å; A175-L178 PolarHBondContact O-N 3.39Å; K176-L178 VanDerWaalsContact C-N 3.28Å; K176-L178 PolarHBondContact O-N 2.95Å; L178-G180 PolarHBondContact O-N 2.85Å; L178-G180 VanDerWaalsContact O-N 3.11Å; L178-V181 WeakPolarHBondContact O-CB 3.5Å; L178-V181 PolarHBondContact O-N 2.97Å; L178-F183 HydrophobicContact CB-CE2 4.46Å; L178-F183 HydrophobicContact CD2-CE2 4.49Å; L178-F183 HydrophobicContact CD2-CZ 4.24Å
179N82.9Confident88.9Confident94 Ų9446.2 Ų46.250%0.50328%0.276SS..THydrogen-bonded Turntrans-61.8-21.6-177-164.4-3.3000113.3N136 A175 K176N136-N179 VanDerWaalsContact CB-OD1 3.23Å; N136-N179 WeakPolarHBondContact CB-OD1 3.48Å; N136-N179 PolarHBondContact ND2-O 3.31Å; N136-N179 VanDerWaalsContact ND2-O 3.15Å; A175-N179 PolarHBondContact O-N 3.46Å; K176-N179 WeakPolarHBondContact O-CB 3.26Å; K176-N179 PolarHBondContact O-N 3.26Å
180G79Confident88.6Confident78 Ų7850.5 Ų50.580%0.80429%0.289SS*.THydrogen-bonded Turntrans-83.5-8.6173.900000114.8L178L178-G180 PolarHBondContact O-N 2.85Å; L178-G180 VanDerWaalsContact O-N 3.11Å
181V83.3Confident88.1Confident13 Ų1352.1 Ų52.18%0.07929%0.292CS..SBendtrans-96.3129.9-173.6-1790000109.9F36 V41 N136 L178 F183F36-V181 HydrophobicContact CB-CG1 3.97Å; F36-V181 HydrophobicContact CB-CG2 4.34Å; F36-V181 HydrophobicContact CD2-CG1 3.98Å; F36-V181 HydrophobicContact CG-CG1 4.16Å; V41-V181 HydrophobicContact CG2-CG1 3.51Å; N136-V181 PolarHBondContact OD1-O 3.45Å; L178-V181 WeakPolarHBondContact O-CB 3.5Å; L178-V181 PolarHBondContact O-N 2.97Å; V181-F183 HydrophobicContact CB-CD2 4.25Å; V181-F183 HydrophobicContact CB-CE2 3.68Å; V181-F183 HydrophobicContact CB-CZ 4.15Å; V181-F183 HydrophobicContact CG1-CD2 3.99Å; V181-F183 HydrophobicContact CG1-CE1 4.18Å; V181-F183 HydrophobicContact CG1-CE2 3.55Å; V181-F183 HydrophobicContact CG1-CG 4.48Å; V181-F183 HydrophobicContact CG1-CZ 3.65Å; V181-F183 PolarHBondContact O-N 2.9Å
182H84.3Confident87.7Confident116 Ų11652.1 Ų52.154%0.53729%0.292SS..  trans-91.997.8178.8-168.9-67000111.1V40 V41V40-H182 WeakPolarHBondContact CA-O 3.42Å; V41-H182 PolarHBondContact N-O 3.22Å
183F89.1Confident87.1Confident3 Ų353 Ų531%0.01330%0.296CS..BIsolated β-bridgetrans-81.9144.7175-67.1-84.2000112.1V41 L51 L133 N134 L178 V181 L185V41-F183 HydrophobicContact CB-CD1 3.72Å; V41-F183 HydrophobicContact CB-CE1 4.06Å; V41-F183 HydrophobicContact CB-CG 4.46Å; V41-F183 HydrophobicContact CG1-CD1 3.85Å; V41-F183 HydrophobicContact CG1-CE1 3.88Å; V41-F183 HydrophobicContact CG2-CD1 4.33Å; V41-F183 HydrophobicContact CG2-CE1 4.35Å; L51-F183 HydrophobicContact CD2-CE1 4.46Å; L51-F183 HydrophobicContact CD2-CZ 4.03Å; L133-F183 HydrophobicContact CB-CB 4.48Å; L133-F183 HydrophobicContact CB-CD2 4.15Å; L133-F183 HydrophobicContact CB-CG 4.29Å; N134-F183 VanDerWaalsContact OD1-CB 3.25Å; N134-F183 WeakPolarHBondContact OD1-CB 3.4Å; N134-F183 PolarHBondContact OD1-O 3.35Å; L178-F183 HydrophobicContact CB-CE2 4.46Å; L178-F183 HydrophobicContact CD2-CE2 4.49Å; L178-F183 HydrophobicContact CD2-CZ 4.24Å; V181-F183 HydrophobicContact CB-CD2 4.25Å; V181-F183 HydrophobicContact CB-CE2 3.68Å; V181-F183 HydrophobicContact CB-CZ 4.15Å; V181-F183 HydrophobicContact CG1-CD2 3.99Å; V181-F183 HydrophobicContact CG1-CE1 4.18Å; V181-F183 HydrophobicContact CG1-CE2 3.55Å; V181-F183 HydrophobicContact CG1-CG 4.48Å; V181-F183 HydrophobicContact CG1-CZ 3.65Å; V181-F183 PolarHBondContact O-N 2.9Å; F183-L185 HydrophobicContact CB-CD1 4.29Å; F183-L185 HydrophobicContact CB-CG 4.16Å; F183-L185 HydrophobicContact CD1-CD1 4.19Å; F183-L185 HydrophobicContact CD1-CD2 4.5Å; F183-L185 HydrophobicContact CD1-CG 4.37Å; F183-L185 HydrophobicContact CG-CD1 4.48Å
184A89Confident86.5Confident48 Ų4855.7 Ų55.740%0.39730%0.301SS..  trans-133.160.7172.600000109.9V40 V41 N134V40-A184 HydrophobicContact CG1-CB 3.42Å; V40-A184 VanDerWaalsContact CG1-CB 3.42Å; V41-A184 PolarHBondContact O-N 2.92Å; N134-A184 PolarHBondContact OD1-N 3.37Å
185L91.2Very high85.3Confident8 Ų859.8 Ų59.84%0.04233%0.328CS..  trans-83.7145.7-177.8-54.7170.6000111.3E43 I52 R130 L133 N134 F183 I187E43-L185 HydrophobicContact CG-CB 4.23Å; E43-L185 HydrophobicContact CG-CD2 3.69Å; I52-L185 HydrophobicContact CD1-CD1 3.62Å; I52-L185 HydrophobicContact CD1-CD2 3.66Å; I52-L185 HydrophobicContact CD1-CG 4.29Å; I52-L185 HydrophobicContact CG1-CD1 4.3Å; R130-L185 HydrophobicContact CB-CB 3.94Å; R130-L185 HydrophobicContact CB-CD1 4.28Å; R130-L185 HydrophobicContact CG-CB 3.99Å; R130-L185 HydrophobicContact CG-CD1 4.07Å; L133-L185 HydrophobicContact CB-CD1 4.16Å; L133-L185 HydrophobicContact CD1-CD1 4.02Å; N134-L185 PolarHBondContact ND2-N 3.23Å; N134-L185 PolarHBondContact ND2-O 2.93Å; N134-L185 WeakPolarHBondContact OD1-CB 3.47Å; N134-L185 PolarHBondContact OD1-N 3.4Å; F183-L185 HydrophobicContact CB-CD1 4.29Å; F183-L185 HydrophobicContact CB-CG 4.16Å; F183-L185 HydrophobicContact CD1-CD1 4.19Å; F183-L185 HydrophobicContact CD1-CD2 4.5Å; F183-L185 HydrophobicContact CD1-CG 4.37Å; F183-L185 HydrophobicContact CG-CD1 4.48Å; L185-I187 PolarHBondContact O-N 3.38Å
186S91.3Very high84.2Confident62 Ų6260.9 Ų60.943%0.43433%0.331SS..  trans-80.1115.8179.9-61.80000110.8R130R130-S186 VanDerWaalsContact CD-O 3.27Å; R130-S186 WeakPolarHBondContact CD-O 3.32Å
187I90.9Very high82.8Confident46 Ų4657.7 Ų57.724%0.23633%0.326CS..SBendtrans-83.9-31.8-173.5-57.5164.9000111.9L112 L115 S127 R130 C131 L185 L192L112-I187 HydrophobicContact CD2-CG2 4.24Å; L115-I187 HydrophobicContact CD1-CG2 4.02Å; L115-I187 HydrophobicContact CD2-CG2 4.37Å; S127-I187 WeakPolarHBondContact CB-O 3.42Å; S127-I187 PolarHBondContact OG-O 3.37Å; R130-I187 HydrophobicContact CB-CG1 4.31Å; C131-I187 HydrophobicContact CB-CD1 3.8Å; C131-I187 HydrophobicContact CB-CG1 4.24Å; C131-I187 HydrophobicContact CB-CG2 4.39Å; L185-I187 PolarHBondContact O-N 3.38Å; I187-L192 WeakPolarHBondContact O-CD1 3.48Å
188D91.5Very high81.5Confident59 Ų5954.4 Ų54.432%0.31631%0.312SS..SBendtrans-106.379.2-177.1-163.87.5000111.7L115 Q116 S117L115-D188 HydrophobicContact CD2-CB 4.02Å; Q116-D188 PolarHBondContact N-OD1 2.98Å; Q116-D188 PolarHBondContact N-OD2 3.25Å; S117-D188 WeakPolarHBondContact CA-OD1 3.29Å; S117-D188 WeakPolarHBondContact CB-OD1 3.41Å; S117-D188 PolarHBondContact N-OD1 2.91Å; S117-D188 PolarHBondContact OG-OD1 3.25Å
189V88.5Confident79.9Confident39 Ų3959.9 Ų59.924%0.23634%0.338CS..  trans-132.1132.3179.6-160.50000111.4I118 H191 L192I118-V189 VanDerWaalsContact CD1-O 3.3Å; I118-V189 WeakPolarHBondContact CD1-O 3.31Å; V189-H191 WeakPolarHBondContact CG1-ND1 3.36Å; V189-H191 PolarHBondContact O-N 3.42Å; V189-H191 VanDerWaalsContact O-N 3.1Å; V189-L192 HydrophobicContact CB-CD1 4.47Å; V189-L192 HydrophobicContact CB-CG 4.32Å; V189-L192 WeakPolarHBondContact O-CB 3.22Å; V189-L192 WeakPolarHBondContact O-CG 3.46Å; V189-L192 PolarHBondContact O-N 2.83Å; V189-L192 VanDerWaalsContact O-N 3.08Å
190Q85.4Confident78.4Confident131 Ų13156.2 Ų56.261%0.61232%0.318SS*.G310 helixtrans-57.2-30.9-176.7-169178.718.600113.7L192 N193Q190-L192 PolarHBondContact O-N 3.18Å; Q190-N193 PolarHBondContact O-N 3.35Å; Q190-N193 PolarHBondContact O-ND2 2.9Å
191H83.4Confident77Confident72 Ų7254.8 Ų54.833%0.33329%0.291SS..G310 helixtrans-67.7-14.8-178.279.9-95.5000114R126 V189 N193 Y194R126-H191 PolarHBondContact NH1-O 3.18Å; V189-H191 WeakPolarHBondContact CG1-ND1 3.36Å; V189-H191 PolarHBondContact O-N 3.42Å; V189-H191 VanDerWaalsContact O-N 3.1Å; H191-N193 PolarHBondContact O-N 2.89Å; H191-Y194 VanDerWaalsContact CA-CD2 3.43Å; H191-Y194 VanDerWaalsContact CA-CE2 3.44Å; H191-Y194 HydrophobicContact CB-CD2 3.82Å; H191-Y194 HydrophobicContact CB-CE2 3.74Å; H191-Y194 WeakPolarHBondContact O-CD2 3.43Å; H191-Y194 PolarHBondContact O-N 3.48Å
192L85.8Confident75Confident0 Ų058.2 Ų58.20%031%0.309CS..G310 helixtrans-70-22.8176.6-58-177.1000112.1I118 G123 R126 S127 R130 I187 V189 Q190 Y194I118-L192 HydrophobicContact CD1-CB 3.77Å; I118-L192 HydrophobicContact CD1-CD1 4.13Å; I118-L192 HydrophobicContact CD1-CG 4.38Å; G123-L192 WeakPolarHBondContact CA-O 3.41Å; R126-L192 HydrophobicContact CB-CB 4.37Å; R126-L192 HydrophobicContact CB-CD2 4.38Å; R126-L192 PolarHBondContact NH1-O 3.05Å; S127-L192 VanDerWaalsContact OG-CD1 3.27Å; S127-L192 WeakPolarHBondContact OG-CD1 3.36Å; R130-L192 VanDerWaalsContact NH2-CD2 3.28Å; I187-L192 WeakPolarHBondContact O-CD1 3.48Å; V189-L192 HydrophobicContact CB-CD1 4.47Å; V189-L192 HydrophobicContact CB-CG 4.32Å; V189-L192 WeakPolarHBondContact O-CB 3.22Å; V189-L192 WeakPolarHBondContact O-CG 3.46Å; V189-L192 PolarHBondContact O-N 2.83Å; V189-L192 VanDerWaalsContact O-N 3.08Å; Q190-L192 PolarHBondContact O-N 3.18Å; L192-Y194 VanDerWaalsContact C-N 3.27Å; L192-Y194 PolarHBondContact O-N 2.84Å
193N79.7Confident73Confident27 Ų2755.4 Ų55.414%0.14430%0.298CS..G310 helixtrans-73.6-16.6177-58.6-60.4000113.7S117 I118 S119 C120 Q190 H191S117-N193 PolarHBondContact O-ND2 2.99Å; I118-N193 WeakPolarHBondContact CA-OD1 3.45Å; S119-N193 PolarHBondContact N-OD1 3.37Å; C120-N193 PolarHBondContact N-OD1 2.95Å; C120-N193 VanDerWaalsContact SG-CA 3.54Å; Q190-N193 PolarHBondContact O-N 3.35Å; Q190-N193 PolarHBondContact O-ND2 2.9Å; H191-N193 PolarHBondContact O-N 2.89Å
194Y78.4Confident70.7Confident136 Ų13657.3 Ų57.353%0.53331%0.312SS..SBendtrans-67.3142179.9-61.7-51.6000110.5R126 H191 L192 F196R126-Y194 PolarHBondContact NH1-O 3.38Å; H191-Y194 VanDerWaalsContact CA-CD2 3.43Å; H191-Y194 VanDerWaalsContact CA-CE2 3.44Å; H191-Y194 HydrophobicContact CB-CD2 3.82Å; H191-Y194 HydrophobicContact CB-CE2 3.74Å; H191-Y194 WeakPolarHBondContact O-CD2 3.43Å; H191-Y194 PolarHBondContact O-N 3.48Å; L192-Y194 VanDerWaalsContact C-N 3.27Å; L192-Y194 PolarHBondContact O-N 2.84Å; Y194-F196 PolarHBondContact O-N 3.12Å
195P66.8Low68.4Low87 Ų8757.9 Ų57.957%0.56531%0.313SS*.PPolyproline II helixtrans-55.8129.1178.622.5-32.2000109.5S197P195-S197 PolarHBondContact O-N 2.95Å; P195-S197 VanDerWaalsContact O-N 3.16Å
196F67.3Low65.6Low31 Ų3163.8 Ų63.814%0.13634%0.344CS..PPolyproline II helixtrans-60.6122.1-179.4178.6-104.1000109.5E56 S57 F60 Y194 R418E56-F196 HydrophobicContact CB-CD2 3.83Å; E56-F196 HydrophobicContact CB-CE1 4.35Å; E56-F196 HydrophobicContact CB-CE2 3.3Å; E56-F196 HydrophobicContact CB-CZ 3.61Å; E56-F196 HydrophobicContact CG-CE2 4.24Å; E56-F196 VanDerWaalsContact OE2-CD2 3.27Å; E56-F196 WeakPolarHBondContact OE2-CD2 3.22Å; E56-F196 WeakPolarHBondContact OE2-CE2 3.27Å; S57-F196 VanDerWaalsContact OG-CZ 3.32Å; S57-F196 WeakPolarHBondContact OG-CZ 3.47Å; F60-F196 HydrophobicContact CB-CD1 4.08Å; F60-F196 HydrophobicContact CD2-CB 4.43Å; F60-F196 HydrophobicContact CD2-CD1 4.28Å; F60-F196 HydrophobicContact CD2-CG 4.24Å; F60-F196 HydrophobicContact CG-CB 4.49Å; F60-F196 HydrophobicContact CG-CD1 4.3Å; Y194-F196 PolarHBondContact O-N 3.12Å; F196-R418 PolarHBondContact O-NH2 3.34Å
197S59.4Low63Low73 Ų7362.6 Ų62.651%0.5134%0.336SS..  trans-101.2100.2174-63.70000108.7P195P195-S197 PolarHBondContact O-N 2.95Å; P195-S197 VanDerWaalsContact O-N 3.16Å
198S58.4Low60.4Low15 Ų1564.7 Ų64.711%0.10534%0.343CS..  trans-70.4134.2171.7-167.20000108.5S57 F200 D201S57-S198 PolarHBondContact OG-OG 2.84Å; S198-F200 PolarHBondContact O-N 3.44Å; S198-F200 WeakPolarHBondContact OG-CD2 3.5Å; S198-F200 PolarHBondContact OG-N 2.97Å; S198-D201 WeakPolarHBondContact CB-OD2 3.26Å; S198-D201 PolarHBondContact N-OD2 3.22Å; S198-D201 PolarHBondContact O-N 2.94Å
199E51.7Low57.4Low120 Ų12067.7 Ų67.756%0.56136%0.359SS*.THydrogen-bonded Turntrans-56.4-16.2164.9-67.3178.2-176.200111.7K24K24-E199 VanDerWaalsContact NZ-CD 3.34Å; K24-E199 IonicContact NZ-OE1 2.69Å; K24-E199 IonicContact NZ-OE2 2.91Å; K24-E199 PolarHBondContact NZ-OE2 3.1Å
200F51.5Low54.8Low17 Ų1772.9 Ų72.98%0.07538%0.382CS..THydrogen-bonded Turntrans-92-9.6-178.3-63-76.7000115.7V20 L21 K24 S198 D202 L203 S204V20-F200 HydrophobicContact CG1-CD1 3.86Å; V20-F200 HydrophobicContact CG1-CE1 3.24Å; V20-F200 HydrophobicContact CG1-CZ 4Å; L21-F200 HydrophobicContact CD2-CD2 3.41Å; L21-F200 VanDerWaalsContact CD2-CD2 3.41Å; L21-F200 HydrophobicContact CD2-CE2 3.58Å; L21-F200 HydrophobicContact CD2-CG 4.04Å; L21-F200 HydrophobicContact CD2-CZ 4.36Å; L21-F200 HydrophobicContact CG-CD2 4.5Å; K24-F200 HydrophobicContact CB-CZ 4.12Å; K24-F200 HydrophobicContact CD-CE2 3.59Å; K24-F200 HydrophobicContact CD-CZ 3.47Å; K24-F200 VanDerWaalsContact CD-CZ 3.47Å; K24-F200 HydrophobicContact CG-CZ 4.43Å; S198-F200 PolarHBondContact O-N 3.44Å; S198-F200 WeakPolarHBondContact OG-CD2 3.5Å; S198-F200 PolarHBondContact OG-N 2.97Å; F200-D202 PolarHBondContact O-N 3.48Å; F200-L203 HydrophobicContact CB-CB 4.38Å; F200-L203 HydrophobicContact CD1-CB 3.79Å; F200-L203 HydrophobicContact CD1-CD1 3.25Å; F200-L203 HydrophobicContact CD1-CG 4.13Å; F200-L203 HydrophobicContact CE1-CD1 3.33Å; F200-L203 HydrophobicContact CG-CD1 4.42Å; F200-L203 PolarHBondContact O-N 3.36Å; F200-S204 PolarHBondContact O-N 2.69Å; F200-S204 VanDerWaalsContact O-N 3.09Å; F200-S204 PolarHBondContact O-OG 3.02Å
201D50.1Low52.6Low48 Ų4875.3 Ų75.326%0.25739%0.391SS..THydrogen-bonded Turntrans-59.6-27.1167.6-67.1-60000110.3S198 R418S198-D201 WeakPolarHBondContact CB-OD2 3.26Å; S198-D201 PolarHBondContact N-OD2 3.22Å; S198-D201 PolarHBondContact O-N 2.94Å; D201-R418 IonicContact OD1-NH1 2.63Å; D201-R418 IonicContact OD2-CZ 2.73Å; D201-R418 IonicContact OD2-NH1 3.85Å; D201-R418 PolarHBondContact OD2-NH1 3.38Å; D201-R418 IonicContact OD2-NH2 2.63Å; D201-R418 PolarHBondContact OD2-NH2 2.86Å
202D42.3Very low50.1Low84 Ų8480.9 Ų80.945%0.44941%0.414SS..THydrogen-bonded Turntrans-79-24.3170.4-70.4-14.1000113.7F200 S205 L206 Q415F200-D202 PolarHBondContact O-N 3.48Å; D202-S205 CarbonylContact O-C 3.57Å; D202-S205 VanDerWaalsContact O-CA 3.31Å; D202-S205 WeakPolarHBondContact O-CA 3.5Å; D202-S205 WeakPolarHBondContact O-CB 3.45Å; D202-S205 PolarHBondContact O-N 2.98Å; D202-S205 PolarHBondContact O-OG 2.89Å; D202-L206 PolarHBondContact O-N 3.17Å; D202-Q415 PolarHBondContact OD1-NE2 3.36Å
203L40.5Very low47.4Very low57 Ų5783.2 Ų83.230%0.29843%0.433SS..THydrogen-bonded Turntrans-84.6-25.7-178.1-101.9153.4000114.2V20 F200 S205 L206 S207V20-L203 HydrophobicContact CG1-CD1 4.48Å; F200-L203 HydrophobicContact CB-CB 4.38Å; F200-L203 HydrophobicContact CD1-CB 3.79Å; F200-L203 HydrophobicContact CD1-CD1 3.25Å; F200-L203 HydrophobicContact CD1-CG 4.13Å; F200-L203 HydrophobicContact CE1-CD1 3.33Å; F200-L203 HydrophobicContact CG-CD1 4.42Å; F200-L203 PolarHBondContact O-N 3.36Å; L203-S205 PolarHBondContact O-N 3.09Å; L203-L206 HydrophobicContact CD2-CB 3.86Å; L203-L206 HydrophobicContact CG-CB 4.36Å; L203-L206 HydrophobicContact CG-CD1 4.44Å; L203-L206 PolarHBondContact O-N 3.21Å; L203-S207 PolarHBondContact O-N 3.2Å
204S42.7Very low45.1Very low44 Ų4486 Ų8631%0.30845%0.453SS..THydrogen-bonded Turntrans-46.3-29.2156.7-48.90000110.6F200 M411F200-S204 PolarHBondContact O-N 2.69Å; F200-S204 VanDerWaalsContact O-N 3.09Å; F200-S204 PolarHBondContact O-OG 3.02Å; S204-M411 VanDerWaalsContact C-SD 3.51Å; S204-M411 VanDerWaalsContact O-CE 3.27Å; S204-M411 WeakPolarHBondContact O-CE 3.16Å
205S40.7Very low42.8Very low60 Ų6084.5 Ų84.542%0.4246%0.461SS..THydrogen-bonded Turntrans-94.3-14.9179.3-39.50000115.4D202 L203D202-S205 CarbonylContact O-C 3.57Å; D202-S205 VanDerWaalsContact O-CA 3.31Å; D202-S205 WeakPolarHBondContact O-CA 3.5Å; D202-S205 WeakPolarHBondContact O-CB 3.45Å; D202-S205 PolarHBondContact O-N 2.98Å; D202-S205 PolarHBondContact O-OG 2.89Å; L203-S205 PolarHBondContact O-N 3.09Å
206L31.7Very low41.1Very low131 Ų13186.4 Ų86.469%0.68647%0.474SS*.THydrogen-bonded Turntrans-101.6-10.1-177.6-78.5169.7000114.2D202 L203 F208D202-L206 PolarHBondContact O-N 3.17Å; L203-L206 HydrophobicContact CD2-CB 3.86Å; L203-L206 HydrophobicContact CG-CB 4.36Å; L203-L206 HydrophobicContact CG-CD1 4.44Å; L203-L206 PolarHBondContact O-N 3.21Å; L206-F208 PolarHBondContact O-N 3.02Å
207S35.8Very low39.3Very low38 Ų3893 Ų9327%0.26651%0.507SS..  trans-80.758.5172.4810000111.8L203L203-S207 PolarHBondContact O-N 3.2Å
208F36.2Very low37.7Very low89 Ų8997 Ų9739%0.3952%0.52SS..  trans-133.798.1161.5-114.7-89.2000109.3L206 M210 A213 E404 M408L206-F208 PolarHBondContact O-N 3.02Å; F208-M210 VanDerWaalsContact C-N 3.35Å; F208-M210 PolarHBondContact O-N 3.06Å; F208-A213 HydrophobicContact CD1-CB 4.48Å; F208-A213 HydrophobicContact CE1-CB 4.26Å; F208-E404 HydrophobicContact CZ-CG 4.32Å; F208-E404 VanDerWaalsContact CZ-OE1 3.31Å; F208-E404 WeakPolarHBondContact CZ-OE1 3.4Å; F208-M408 HydrophobicContact CD2-SD 4.38Å; F208-M408 HydrophobicContact CE2-SD 3.98Å; F208-M408 HydrophobicContact CZ-SD 4.1Å
209D28.9Very low36.4Very low122 Ų122101.5 Ų101.565%0.65255%0.546SS*.  trans-62.299.7165.6-167.4-1.3000107.3K211 K212D209-K211 PolarHBondContact O-N 3.46Å; D209-K212 PolarHBondContact O-N 3.42Å
210M34.5Very low35.5Very low148 Ų148100.5 Ų100.573%0.72955%0.548SS*.THydrogen-bonded Turntrans-54.8-3.7-178.2-89.9-144.577.900114.4F208F208-M210 VanDerWaalsContact C-N 3.35Å; F208-M210 PolarHBondContact O-N 3.06Å
211K38Very low34.6Very low183 Ų183105.7 Ų105.780%0.79658%0.577SS**THydrogen-bonded Turntrans-79.2-12.3178.2-70-169.9176.7-179.90115D209D209-K211 PolarHBondContact O-N 3.46Å
212K32.4Very low33.5Very low188 Ų188110.6 Ų110.682%0.81760%0.603SS**SBendtrans-124.3-3.7-176.5-81.4-172.3177.4-178.10117.1D209 P214D209-K212 PolarHBondContact O-N 3.42Å; K212-P214 VanDerWaalsContact O-CD 3.24Å; K212-P214 WeakPolarHBondContact O-CD 3.42Å
213A29.1Very low32.9Very low49 Ų49111.8 Ų111.841%0.40561%0.613SS.*SBendtrans-72.1117.817000000109.1F208 C215F208-A213 HydrophobicContact CD1-CB 4.48Å; F208-A213 HydrophobicContact CE1-CB 4.26Å; A213-C215 PolarHBondContact O-N 3.32Å; A213-C215 VanDerWaalsContact O-N 3.11Å
214P30.6Very low32.3Very low85 Ų85113.8 Ų113.855%0.55263%0.632SS**  trans-64.8115.9170.3-9.925.9000106.7K212 M401K212-P214 VanDerWaalsContact O-CD 3.24Å; K212-P214 WeakPolarHBondContact O-CD 3.42Å; P214-M401 HydrophobicContact CB-CE 3.97Å; P214-M401 HydrophobicContact CG-CE 3.63Å; P214-M401 HydrophobicContact CG-SD 4.26Å
215C30.6Very low31.5Very low105 Ų105118 Ų11871%0.70966%0.656SS**  trans-52.4139.4162.5-54.70000107.1A213 M217A213-C215 PolarHBondContact O-N 3.32Å; A213-C215 VanDerWaalsContact O-N 3.11Å; C215-M217 PolarHBondContact O-N 3.47Å
216P31.2Very low31Very low127 Ų127123.8 Ų123.883%0.82568%0.676SS**  trans-51.8107.7175.719.6-30.3000107.9M218P216-M218 PolarHBondContact O-N 2.9Å
217M28.1Very low30.7Very low169 Ų169122.5 Ų122.583%0.83369%0.685SS**  trans-70.4102-179.9-172.9-176.1-65.900104.8C215 V219C215-M217 PolarHBondContact O-N 3.47Å; M217-V219 VanDerWaalsContact C-N 3.34Å; M217-V219 PolarHBondContact O-N 3.41Å
218M26Very low30.5Very low159 Ų159126.2 Ų126.278%0.78371%0.706SS**  trans-59.5106.3167.2-171.4171.959.400105.5P216 V220P216-M218 PolarHBondContact O-N 2.9Å; M218-V220 HydrophobicContact CE-CG2 4.29Å; M218-V220 PolarHBondContact O-N 2.9Å
219V32.2Very low30Very low109 Ų109133.7 Ų133.766%0.66173%0.731SS**  trans-65.493.5174.2179.70000105.6M217 N221M217-V219 VanDerWaalsContact C-N 3.34Å; M217-V219 PolarHBondContact O-N 3.41Å; V219-N221 VanDerWaalsContact C-N 3.28Å; V219-N221 PolarHBondContact O-N 2.88Å
220V32Very low30.1Very low98 Ų98135.8 Ų135.859%0.59474%0.741SS**  trans-70.498.4165.3-178.50000104M218 D222M218-V220 HydrophobicContact CE-CG2 4.29Å; M218-V220 PolarHBondContact O-N 2.9Å; V220-D222 VanDerWaalsContact C-N 3.33Å; V220-D222 PolarHBondContact O-N 3.49Å
221N32.8Very low29.9Very low127 Ų127138.1 Ų138.168%0.67975%0.747SS**  trans-62.6100.4171.8-111.718.8000107V219 T223V219-N221 VanDerWaalsContact C-N 3.28Å; V219-N221 PolarHBondContact O-N 2.88Å; N221-T223 PolarHBondContact O-N 3.43Å
222D27Very low29.3Very low151 Ų151141 Ų14181%0.80775%0.754SS**  trans-71.671.9164.8-74-28.7000108V220V220-D222 VanDerWaalsContact C-N 3.33Å; V220-D222 PolarHBondContact O-N 3.49Å
223T30.7Very low29.2Very low109 Ų109141.7 Ų141.767%0.66976%0.756SS**  trans-113.1104162.2210000107.8N221N221-T223 PolarHBondContact O-N 3.43Å
224S26.7Very low29.4Very low99 Ų99145.1 Ų145.169%0.69278%0.775SS**  trans-43.7153.7160.8350000112.1
225T27Very low29.5Very low132 Ų132149.8 Ų149.881%0.8179%0.789SS**  trans67.492.4164.242.60000117.4
226E28.8Very low29.6Very low181 Ų181151 Ų15185%0.84679%0.793SS**  176.8128.3104.8-92.5-174.717600110.7V228E226-V228 PolarHBondContact O-N 2.97Å
227A25.4Very low29.5Very low105 Ų105151.5 Ų151.587%0.86879%0.789SS**  trans-76.683.2-173.200000111.9R229A227-R229 PolarHBondContact O-N 3.25Å
228V32.6Very low29.7Very low116 Ų116151.2 Ų151.270%0.70379%0.79SS**  trans-89.9105.6167.5-175.90000109.5E226 L230E226-V228 PolarHBondContact O-N 2.97Å; V228-L230 PolarHBondContact O-N 3.42Å
229R24.5Very low29.9Very low246 Ų246148.5 Ų148.593%0.92878%0.782SS**  trans-61.394.3174.6-73.1174.1170.2177.6-2.5110.9A227A227-R229 PolarHBondContact O-N 3.25Å
230L31.6Very low29.6Very low165 Ų165148 Ų14886%0.86478%0.783SS**  trans-98.7127.6164.7-79165.2000110.9V228V228-L230 PolarHBondContact O-N 3.42Å
231K29.8Very low29.4Very low197 Ų197151.7 Ų151.786%0.85779%0.791SS**  trans-76.9136.2-166.9-75.5178.2172.6172.50112.8
232R26.1Very low29.2Very low245 Ų245152.9 Ų152.993%0.92580%0.798SS**  trans57.9107.7149.2-68.7-174.8175.3175.6-2119.4
233K30.6Very low29.5Very low201 Ų201150.8 Ų150.887%0.87480%0.795SS**  trans-75.3146.3154.1-71.7177.4173.51790111.1
234P34Very low29.3Very low122 Ų122153.5 Ų153.579%0.79281%0.805SS**  trans-74.9127.7164.95.410.4000109.8V236P234-V236 PolarHBondContact O-N 2.94Å
235Q31.1Very low29.6Very low182 Ų182154.5 Ų154.585%0.8581%0.812SS**  trans-77.2109.8173.1-74.2-166.9-51.300109.6
236V33.5Very low29.8Very low130 Ų130151.6 Ų151.679%0.78881%0.809SS**  trans-85.1107.7163.5179.70000106.9P234 L238P234-V236 PolarHBondContact O-N 2.94Å; V236-L238 PolarHBondContact O-N 2.9Å
237N28.5Very low29.6Very low138 Ų138149.5 Ų149.574%0.73880%0.804SS**  trans-67.198175.3-89-6.1000109.6V239N237-V239 PolarHBondContact O-N 2.96Å
238L32.4Very low29.8Very low163 Ų163151.5 Ų151.585%0.85380%0.8SS**  trans-82.699.1168.1-151.6106000107.7V236 S240V236-L238 PolarHBondContact O-N 2.9Å; L238-S240 PolarHBondContact O-N 2.82Å; L238-S240 VanDerWaalsContact O-N 3.16Å
239V30.9Very low29.4Very low103 Ų103155.3 Ų155.362%0.62481%0.81SS**  trans-68.6109.6177.21780000108.5N237 F241N237-V239 PolarHBondContact O-N 2.96Å; V239-F241 HydrophobicContact CG1-CD2 4.38Å; V239-F241 HydrophobicContact CG1-CE1 4.47Å; V239-F241 HydrophobicContact CG1-CE2 4.08Å; V239-F241 HydrophobicContact CG1-CZ 4.12Å
240S26.4Very low29.6Very low98 Ų98151.2 Ų151.269%0.68581%0.805SS**  trans-79.1117.2168.7-174.70000108.1L238 D242L238-S240 PolarHBondContact O-N 2.82Å; L238-S240 VanDerWaalsContact O-N 3.16Å; S240-D242 PolarHBondContact O-N 3.36Å
241F27.6Very low29.2Very low175 Ų175152.3 Ų152.377%0.76881%0.806SS**  trans-84.3104.3171.5-71.8-85.4000109V239V239-F241 HydrophobicContact CG1-CD2 4.38Å; V239-F241 HydrophobicContact CG1-CE1 4.47Å; V239-F241 HydrophobicContact CG1-CE2 4.08Å; V239-F241 HydrophobicContact CG1-CZ 4.12Å
242D28.6Very low28.7Very low153 Ų153153 Ų15382%0.81881%0.809SS**  trans-75.3114.3159.1-77-37.4000108.1S240S240-D242 PolarHBondContact O-N 3.36Å
243S32.7Very low28.5Very low106 Ų106146.4 Ų146.474%0.74180%0.801SS**  trans-129.893.5167.3-69.60000108.8S245S243-S245 PolarHBondContact O-N 3.05Å
244D27.1Very low28Very low166 Ų166146.3 Ų146.389%0.88880%0.804SS**  trans-58.4121.3160.1-84.6-35000109.4
245S33.5Very low27.6Very low120 Ų120146.4 Ų146.484%0.83980%0.802SS**  trans-156.5112.7158.9-86.50000111.4S243S243-S245 PolarHBondContact O-N 3.05Å
246G30.5Very low27.1Very low72 Ų72147.1 Ų147.174%0.74280%0.802SS**  trans-42.1143-17700000117.3N248G246-N248 PolarHBondContact O-N 3.48Å
247D25.1Very low26.7Very low137 Ų137148.6 Ų148.673%0.73380%0.804SS**  trans-64.2116.6163.3-63.5-50.5000110.3
248N29.6Very low26.5Very low147 Ų147148 Ų14879%0.78681%0.805SS**  trans-119.7100.3161.4-84.3-35.8000108.3G246 L250G246-N248 PolarHBondContact O-N 3.48Å; N248-L250 PolarHBondContact O-N 2.96Å; N248-L250 VanDerWaalsContact O-N 3.12Å
249E23.3Very low26.1Very low196 Ų196149.6 Ų149.692%0.91681%0.805SS**  trans-63.598.6163.6-91.8-178.5141.200109
250L28.3Very low26Very low159 Ų159150.9 Ų150.983%0.83282%0.815SS**  trans-88.9114.2169.3-73.2174000109.7N248N248-L250 PolarHBondContact O-N 2.96Å; N248-L250 VanDerWaalsContact O-N 3.12Å
251Q23Very low25.9Very low188 Ų188149.3 Ų149.388%0.87982%0.815SS**  trans-66.7134.4173.6-69.7-178.40.600110.8
252F20.6Very low25.7Very low211 Ų211145.8 Ų145.893%0.92581%0.812SS**  trans-70.6124.3178.9-93.8-109.4000111.3
253S21.9Very low25.4Very low107 Ų107145.5 Ų145.575%0.74881%0.811SS**  trans-114.9115163.652.50000109.9V255S253-V255 PolarHBondContact O-N 3.2Å
254E20.5Very low25Very low199 Ų199145.8 Ų145.893%0.9381%0.811SS**  trans-67.7112.6-177.5-173.1175.8171.400111.3
255V24.9Very low24.8Very low124 Ų124143.7 Ų143.775%0.75281%0.805SS**  trans-89.3114.4178.6176.50000109.8S253 I257S253-V255 PolarHBondContact O-N 3.2Å; V255-I257 PolarHBondContact O-N 3.19Å
256K20.8Very low24.4Very low198 Ų198143.1 Ų143.186%0.86180%0.801SS**  trans-79.1104.2-179.9-158.8176-171.5177.10109.9
257I24.7Very low24.3Very low160 Ų160149.1 Ų149.182%0.82181%0.809SS**PPolyproline II helixtrans-79.6122.7179.9-63.6172.3000110.1V255V255-I257 PolarHBondContact O-N 3.19Å
258V24.7Very low24.3Very low127 Ų127148 Ų14877%0.7781%0.812SS**PPolyproline II helixtrans-86.7135.1178.51740000110.1
259K23.5Very low24.1Very low195 Ų195144.8 Ų144.885%0.84881%0.814SS**PPolyproline II helixtrans-67.5132177.8-80.9174.1172.41740112
260P29.1Very low24.2Very low130 Ų130144.1 Ų144.184%0.84481%0.81SS**PPolyproline II helixtrans-77.5130.1165.4-5.822.9000110.5
261G23.1Very low24.1Very low66 Ų66141.3 Ų141.368%0.6881%0.81SS**PPolyproline II helixtrans-89.8139.7171.800000112.4
262S23.5Very low24.2Very low101 Ų101138.1 Ų138.171%0.70681%0.809SS**  51.5136.7128.864.10000122
263N23.2Very low24.5Very low147 Ų147131.5 Ų131.579%0.78680%0.8SS**  trans89.7130.6159.8-50.5-19.2000113
264C24.4Very low24.6Very low111 Ų111133 Ų13375%0.7581%0.805SS**  cis-158.3125.649.3-53.40000109
265T23.1Very low24.5Very low123 Ų123131 Ų13176%0.75580%0.8SS**  52.5115.2107.158.20000118.6
266S24.8Very low24.5Very low107 Ų107130.9 Ų130.975%0.74881%0.805SS**  66.6117.5128.5-45.40000119.7
267E27.8Very low24.5Very low198 Ų198127.2 Ų127.293%0.92580%0.799SS**  -171.7122.1113-102172.5-169.700111.3
268S25.2Very low24.5Very low113 Ų113124.4 Ų124.479%0.7979%0.794SS**  trans-85.2120.8174.749.90000110
269G26.6Very low24.3Very low80 Ų80127.7 Ų127.783%0.82580%0.798SS**  trans-119.295.8168.100000110.1
270H24.1Very low24.4Very low182 Ų182126.9 Ų126.984%0.84380%0.797SS**  trans-75.1125.7166-82.3-83.7000109.5
271A27.8Very low24Very low100 Ų100128.8 Ų128.883%0.82679%0.794SS**  trans-149.293.5155.400000108.9G273A271-G273 PolarHBondContact O-N 3.5Å
272S23.9Very low24.1Very low121 Ų121133.6 Ų133.685%0.84680%0.799SS**  trans-70.5113.5165.1-59.80000108.5
273G26Very low24.1Very low73 Ų73134.2 Ų134.275%0.75380%0.798SS**  trans-117.492.9174.800000110.5A271A271-G273 PolarHBondContact O-N 3.5Å
274T25.2Very low24.1Very low137 Ų137135.2 Ų135.284%0.8480%0.798SS**  trans12.9122.1154.7-340000119.6
275L19Very low24.1Very low159 Ų159135.7 Ų135.783%0.83280%0.798SS**  trans-51.6129.9158.2-78.4122.9000111.7
276S24.7Very low24.3Very low121 Ų121134.3 Ų134.385%0.84679%0.79SS**  trans-124.5111.2162.1-148.30000108.6
277T20.9Very low24.4Very low120 Ų120136.6 Ų136.674%0.73679%0.794SS**  trans-98.4119.4176.951.40000109.2
278S24.6Very low24.4Very low102 Ų102136.7 Ų136.771%0.71379%0.792SS**  trans-177.2104.3156.348.70000107.2
279F19.7Very low24.5Very low195 Ų195138.2 Ų138.286%0.85579%0.791SS**  57.899.698.6-107.7-95.7000112.1
280E25.1Very low24.8Very low179 Ų179140.4 Ų140.484%0.83679%0.794SS**  -174.8131.1116.3-100.9163.7167.300110.9
281E21.5Very low24.9Very low169 Ų169135.4 Ų135.479%0.7979%0.791SS**  trans-86.7101.4-171.3-179.4178.2-168.900108.3V283E281-V283 HydrophobicContact CG-CG2 3.94Å
282H24.9Very low25.2Very low168 Ų168136 Ų13678%0.77878%0.781SS**  trans-110.284.2165.1-86.8-73.8000109E284H282-E284 PolarHBondContact O-N 3.33Å
283V24Very low25.8Very low113 Ų113141.8 Ų141.869%0.68578%0.784SS**  trans-72.380.8165.7178.30000107.5E281 V285E281-V283 HydrophobicContact CG-CG2 3.94Å; V283-V285 HydrophobicContact CG1-CG2 3.94Å
284E23.6Very low26.1Very low168 Ų168145.5 Ų145.579%0.78579%0.786SS**  trans-89.6100.5160.3-82.2-172.8161.800107.9H282 P286H282-E284 PolarHBondContact O-N 3.33Å; E284-P286 WeakPolarHBondContact O-CD 3.47Å
285V23.8Very low26.6Very low122 Ų122141.4 Ų141.474%0.73976%0.763SS**  trans-68.2114.5168.7-175.40000107.2V283 D287V283-V285 HydrophobicContact CG1-CG2 3.94Å; V285-D287 PolarHBondContact O-N 2.94Å
286P27.4Very low27.4Very low93 Ų93142 Ų14260%0.60476%0.759SS**  trans-75.5125.5177.6-10.628000109.3E284 F288E284-P286 WeakPolarHBondContact O-CD 3.47Å; P286-F288 PolarHBondContact O-N 2.87Å
287D25.9Very low28.5Very low156 Ų156139.5 Ų139.583%0.83474%0.741SS**  trans-57.894.9168.7-97.6-35.2000110.3V285 N289V285-D287 PolarHBondContact O-N 2.94Å; D287-N289 PolarHBondContact O-N 3.05Å
288F27.8Very low29.4Very low199 Ų199139.2 Ų139.287%0.87373%0.734SS**  trans-74.574.7168.2-92.6-88.3000109.6P286P286-F288 PolarHBondContact O-N 2.87Å
289N28.7Very low30.5Very low146 Ų146141.9 Ų141.978%0.78173%0.733SS**  trans-134.256.2175.7-116-10000111.8D287D287-N289 PolarHBondContact O-N 3.05Å
290S32.1Very low31.6Very low126 Ų126134 Ų13488%0.88171%0.707SS**SBendtrans-177.275.2158.340.60000112
291G27.1Very low32.9Very low76 Ų76131.4 Ų131.478%0.78470%0.695SS**SBendtrans178.835.217500000119.3
292D33.7Very low34.8Very low112 Ų112128 Ų12860%0.59969%0.686SS**  trans-152.833.4164.5-148.620.9000116.5L294 S295D292-L294 PolarHBondContact O-N 2.99Å; D292-S295 PolarHBondContact O-OG 3.28Å; D292-S295 VanDerWaalsContact OD1-CB 3.32Å; D292-S295 WeakPolarHBondContact OD1-CB 3.41Å; D292-S295 PolarHBondContact OD1-OG 3.48Å; D292-S295 WeakPolarHBondContact OD2-CB 3.26Å; D292-S295 PolarHBondContact OD2-OG 3.41Å
293R35.8Very low36.3Very low244 Ų244124.5 Ų124.592%0.92167%0.672SS**Hα-helixtrans-69.7-12.4173.4-83.2-170.6177.7-153.60.7113.8
294L32.3Very low38.3Very low150 Ų150124 Ų12479%0.78567%0.666SS**Hα-helixtrans-89.8-22.9-177.5-66.1175.3000113.5D292D292-L294 PolarHBondContact O-N 2.99Å
295S36.6Very low40.5Very low51 Ų51121 Ų12136%0.35765%0.652SS.*Hα-helixtrans-73.3-35.8178.269.20000112.8D292 F299D292-S295 PolarHBondContact O-OG 3.28Å; D292-S295 VanDerWaalsContact OD1-CB 3.32Å; D292-S295 WeakPolarHBondContact OD1-CB 3.41Å; D292-S295 PolarHBondContact OD1-OG 3.48Å; D292-S295 WeakPolarHBondContact OD2-CB 3.26Å; D292-S295 PolarHBondContact OD2-OG 3.41Å; S295-F299 WeakPolarHBondContact O-CB 2.89Å; S295-F299 PolarHBondContact O-N 3.39Å
296K35.9Very low42.5Very low173 Ų173120.6 Ų120.675%0.75265%0.645SS**Hα-helixtrans-72.1-33.9-178.9-72-173.5177.5179.50114G300K296-G300 PolarHBondContact O-N 3.17Å; K296-G300 VanDerWaalsContact O-N 3.11Å
297S46.7Very low44.1Very low67 Ų67121.7 Ų121.747%0.46964%0.643SS.*Hα-helixtrans-69.2-45.7-179.7-161.50000111.4F299 G300 E301S297-F299 VanDerWaalsContact C-N 3.33Å; S297-F299 PolarHBondContact O-N 2.94Å; S297-G300 PolarHBondContact O-N 3.32Å; S297-E301 PolarHBondContact O-N 3.37Å; S297-E301 VanDerWaalsContact O-N 3.13Å
298L41.3Very low46.4Very low115 Ų115118.6 Ų118.660%0.60263%0.627SS**Hα-helixtrans-66.9-36.5-179.2-132.389.5000112T302L298-T302 PolarHBondContact O-N 3.17Å; L298-T302 PolarHBondContact O-OG1 3.42Å
299F46.8Very low48.3Very low158 Ų158112.9 Ų112.969%0.69361%0.606SS**Hα-helixtrans-67.7-40178-158-92.6000111.8S295 S297 L303S295-F299 WeakPolarHBondContact O-CB 2.89Å; S295-F299 PolarHBondContact O-N 3.39Å; S297-F299 VanDerWaalsContact C-N 3.33Å; S297-F299 PolarHBondContact O-N 2.94Å; F299-L303 WeakPolarHBondContact O-CB 3.33Å; F299-L303 PolarHBondContact O-N 3.32Å; F299-L303 VanDerWaalsContact O-N 3.15Å
300G43Very low50.1Low30 Ų30112.6 Ų112.631%0.30960%0.598SS.*Hα-helixtrans-65.4-42.3177.200000113.1K296 S297 N304K296-G300 PolarHBondContact O-N 3.17Å; K296-G300 VanDerWaalsContact O-N 3.11Å; S297-G300 PolarHBondContact O-N 3.32Å; G300-N304 WeakPolarHBondContact O-CB 3.42Å; G300-N304 VanDerWaalsContact O-CG 3.32Å; G300-N304 PolarHBondContact O-N 3.39Å; G300-N304 PolarHBondContact O-ND2 2.89Å
301E52.1Low51.6Low123 Ų123109 Ų10958%0.57558%0.575SS**Hα-helixtrans-65.3-44.1178.7-74.5173.2-171.600112.2S297 L303 N304 Q305S297-E301 PolarHBondContact O-N 3.37Å; S297-E301 VanDerWaalsContact O-N 3.13Å; E301-L303 PolarHBondContact O-N 3.23Å; E301-N304 PolarHBondContact O-N 3.03Å; E301-Q305 PolarHBondContact O-N 2.89Å
302T61.8Low53.9Low98 Ų98108.8 Ų108.860%0.60156%0.559SS**Hα-helixtrans-66.5-39.4-179.4-41.40000111.6L298 Q305 L306L298-T302 PolarHBondContact O-N 3.17Å; L298-T302 PolarHBondContact O-OG1 3.42Å; T302-Q305 PolarHBondContact O-N 3.23Å; T302-L306 PolarHBondContact O-N 3.17Å; T302-L306 VanDerWaalsContact O-N 3.12Å
303L56.2Low55.1Low94 Ų94108.7 Ų108.749%0.49256%0.558SS.*Hα-helixtrans-67.7-41.6176.2-172.767.9000111.6F299 E301 Q305 L306 M307F299-L303 WeakPolarHBondContact O-CB 3.33Å; F299-L303 PolarHBondContact O-N 3.32Å; F299-L303 VanDerWaalsContact O-N 3.15Å; E301-L303 PolarHBondContact O-N 3.23Å; L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 3.27Å; L303-L306 PolarHBondContact O-N 3.09Å; L303-M307 VanDerWaalsContact O-CG 3.29Å; L303-M307 WeakPolarHBondContact O-CG 3.39Å; L303-M307 PolarHBondContact O-N 2.88Å
304N66.1Low56.4Low103 Ų103102.3 Ų102.355%0.55154%0.537SS*.Hα-helixtrans-63.7-39.4175.9-80.7-17.7000111.8G300 E301 M307 N308G300-N304 WeakPolarHBondContact O-CB 3.42Å; G300-N304 VanDerWaalsContact O-CG 3.32Å; G300-N304 PolarHBondContact O-N 3.39Å; G300-N304 PolarHBondContact O-ND2 2.89Å; E301-N304 PolarHBondContact O-N 3.03Å; N304-M307 PolarHBondContact O-N 3.37Å; N304-N308 PolarHBondContact O-N 3.38Å; N304-N308 PolarHBondContact O-ND2 3.12Å
305Q69.6Low58.2Low106 Ų106100.9 Ų100.950%0.49553%0.529SS..Hα-helixtrans-61.8-46.4175.4-171.460.44100111.4E301 T302 L303 M307 N308 D309E301-Q305 PolarHBondContact O-N 2.89Å; T302-Q305 PolarHBondContact O-N 3.23Å; L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 3.27Å; Q305-M307 VanDerWaalsContact C-N 3.31Å; Q305-M307 PolarHBondContact O-N 2.74Å; Q305-N308 WeakPolarHBondContact O-CB 3.39Å; Q305-N308 PolarHBondContact O-N 3.38Å; Q305-N308 VanDerWaalsContact O-N 3.12Å; Q305-D309 PolarHBondContact NE2-OD1 3.32Å; Q305-D309 VanDerWaalsContact O-CG 3.23Å; Q305-D309 PolarHBondContact O-N 3.47Å
306L64.9Low59.8Low113 Ų113103.5 Ų103.559%0.59254%0.536SS*.Hα-helixtrans-62.1-39.1177.7-173.168.9000112.4T302 L303 N308 D309 F310T302-L306 PolarHBondContact O-N 3.17Å; T302-L306 VanDerWaalsContact O-N 3.12Å; L303-L306 PolarHBondContact O-N 3.09Å; L306-N308 VanDerWaalsContact C-N 3.32Å; L306-D309 PolarHBondContact O-N 3.19Å; L306-F310 WeakPolarHBondContact O-CB 3.3Å; L306-F310 PolarHBondContact O-N 3.04Å
307M61.5Low61.1Low115 Ų115101.1 Ų101.157%0.56753%0.526SS*.Hα-helixtrans-64.7-36.6175.3-73.3-67.6-60.800112L303 N304 Q305 A311L303-M307 VanDerWaalsContact O-CG 3.29Å; L303-M307 WeakPolarHBondContact O-CG 3.39Å; L303-M307 PolarHBondContact O-N 2.88Å; N304-M307 PolarHBondContact O-N 3.37Å; Q305-M307 VanDerWaalsContact C-N 3.31Å; Q305-M307 PolarHBondContact O-N 2.74Å; M307-A311 WeakPolarHBondContact O-CB 3.4Å; M307-A311 PolarHBondContact O-N 3.48Å
308N73.7Confident61.4Low91 Ų91102.3 Ų102.349%0.48752%0.524SS..Hα-helixtrans-69.7-42.4175.3-68.6-26.4000112N304 Q305 L306 F310 A311 T312N304-N308 PolarHBondContact O-N 3.38Å; N304-N308 PolarHBondContact O-ND2 3.12Å; Q305-N308 WeakPolarHBondContact O-CB 3.39Å; Q305-N308 PolarHBondContact O-N 3.38Å; Q305-N308 VanDerWaalsContact O-N 3.12Å; L306-N308 VanDerWaalsContact C-N 3.32Å; N308-F310 VanDerWaalsContact C-N 3.31Å; N308-F310 PolarHBondContact O-N 3.46Å; N308-A311 PolarHBondContact O-N 3.3Å; N308-T312 PolarHBondContact O-N 3.43Å; N308-T312 PolarHBondContact O-OG1 3.02Å
309D68.3Low62.8Low80 Ų80102.7 Ų102.743%0.42852%0.522SS..Hα-helixtrans-62.6-41.8177-62.5-13.6000110.4Q305 L306 T312 L313Q305-D309 PolarHBondContact NE2-OD1 3.32Å; Q305-D309 VanDerWaalsContact O-CG 3.23Å; Q305-D309 PolarHBondContact O-N 3.47Å; L306-D309 PolarHBondContact O-N 3.19Å; D309-T312 PolarHBondContact O-N 3.16Å; D309-L313 WeakPolarHBondContact O-CB 3.47Å; D309-L313 PolarHBondContact O-N 3.35Å
310F67.1Low63.2Low140 Ų140100.7 Ų100.761%0.61452%0.518SS*.Hα-helixtrans-63.3-41.4174.8-174.7-96.3000112.5L306 N308 T312 L313 K314L306-F310 WeakPolarHBondContact O-CB 3.3Å; L306-F310 PolarHBondContact O-N 3.04Å; N308-F310 VanDerWaalsContact C-N 3.31Å; N308-F310 PolarHBondContact O-N 3.46Å; F310-T312 VanDerWaalsContact C-N 3.32Å; F310-L313 PolarHBondContact O-N 2.98Å; F310-K314 WeakPolarHBondContact O-CB 3.38Å; F310-K314 PolarHBondContact O-N 3.49Å
311A62.8Low63.5Low49 Ų49102 Ų10241%0.40552%0.517SS..Hα-helixtrans-64.9-37.5175.900000112.1M307 N308 K314 L315M307-A311 WeakPolarHBondContact O-CB 3.4Å; M307-A311 PolarHBondContact O-N 3.48Å; N308-A311 PolarHBondContact O-N 3.3Å; A311-K314 WeakPolarHBondContact O-CB 3.49Å; A311-K314 PolarHBondContact O-N 2.9Å; A311-L315 PolarHBondContact O-N 2.96Å; A311-L315 VanDerWaalsContact O-N 3.14Å
312T75.1Confident64.1Low72 Ų72103.8 Ų103.844%0.44252%0.518SS..Hα-helixtrans-66.1-48.1176.8-520000110.8N308 D309 F310 K314 L315 E316N308-T312 PolarHBondContact O-N 3.43Å; N308-T312 PolarHBondContact O-OG1 3.02Å; D309-T312 PolarHBondContact O-N 3.16Å; F310-T312 VanDerWaalsContact C-N 3.32Å; T312-K314 PolarHBondContact O-N 3.03Å; T312-L315 WeakPolarHBondContact O-CB 3.49Å; T312-L315 PolarHBondContact O-N 3.33Å; T312-E316 PolarHBondContact O-N 3.41Å
313L60Low64.3Low111 Ų111105.6 Ų105.658%0.58152%0.52SS*.Hα-helixtrans-60.8-34.4176.9-163.372.6000111.9D309 F310 F317D309-L313 WeakPolarHBondContact O-CB 3.47Å; D309-L313 PolarHBondContact O-N 3.35Å; F310-L313 PolarHBondContact O-N 2.98Å; L313-F317 VanDerWaalsContact O-CB 3.32Å; L313-F317 WeakPolarHBondContact O-CB 3.2Å; L313-F317 PolarHBondContact O-N 3.35Å
314K63.3Low64.4Low110 Ų110107 Ų10748%0.47852%0.522SS..Hα-helixtrans-66.8-35.9175.1-169.2179.9177.9-174.20112.4F310 A311 T312 H318F310-K314 WeakPolarHBondContact O-CB 3.38Å; F310-K314 PolarHBondContact O-N 3.49Å; A311-K314 WeakPolarHBondContact O-CB 3.49Å; A311-K314 PolarHBondContact O-N 2.9Å; T312-K314 PolarHBondContact O-N 3.03Å; K314-H318 PolarHBondContact O-CD2 3.32Å; K314-H318 PolarHBondContact O-N 3.2Å
315L69.6Low63.9Low120 Ų120104.9 Ų104.963%0.62852%0.519SS*.Hα-helixtrans-70.7-46.6175-77.1167.8000111.7A311 T312 F317 H318 E319A311-L315 PolarHBondContact O-N 2.96Å; A311-L315 VanDerWaalsContact O-N 3.14Å; T312-L315 WeakPolarHBondContact O-CB 3.49Å; T312-L315 PolarHBondContact O-N 3.33Å; L315-F317 VanDerWaalsContact C-N 3.26Å; L315-F317 PolarHBondContact O-N 3.39Å; L315-H318 WeakPolarHBondContact O-CA 3.39Å; L315-H318 WeakPolarHBondContact O-CB 3.46Å; L315-H318 PolarHBondContact O-N 2.94Å; L315-E319 PolarHBondContact O-N 3.45Å
316E70.6Confident64Low105 Ų105105.5 Ų105.549%0.49152%0.522SS..Hα-helixtrans-57.7-41.3175.8-70.8-178.8172.800111.4T312 H318 E319 L320T312-E316 PolarHBondContact O-N 3.41Å; E316-H318 VanDerWaalsContact C-N 3.33Å; E316-H318 PolarHBondContact O-N 3.35Å; E316-E319 PolarHBondContact O-N 2.83Å; E316-L320 WeakPolarHBondContact O-CD1 3.44Å; E316-L320 PolarHBondContact O-N 3.17Å
317F62.2Low63.8Low123 Ų123106.9 Ų106.954%0.53952%0.523SS..Hα-helixtrans-62-39.8175.1-174.3-105.1000112.4L313 L315 Q321L313-F317 VanDerWaalsContact O-CB 3.32Å; L313-F317 WeakPolarHBondContact O-CB 3.2Å; L313-F317 PolarHBondContact O-N 3.35Å; L315-F317 VanDerWaalsContact C-N 3.26Å; L315-F317 PolarHBondContact O-N 3.39Å; F317-Q321 HydrophobicContact CD1-CG 4.42Å; F317-Q321 HydrophobicContact CE1-CG 4.21Å; F317-Q321 VanDerWaalsContact O-CG 3.29Å; F317-Q321 WeakPolarHBondContact O-CG 3.38Å; F317-Q321 PolarHBondContact O-N 2.75Å
318H54.4Low63.5Low93 Ų93107.1 Ų107.143%0.43152%0.521SS..Hα-helixtrans-67.8-35.1175.6-98.6-63.2000113.3K314 L315 E316 Q321 R322K314-H318 PolarHBondContact O-CD2 3.32Å; K314-H318 PolarHBondContact O-N 3.2Å; L315-H318 WeakPolarHBondContact O-CA 3.39Å; L315-H318 WeakPolarHBondContact O-CB 3.46Å; L315-H318 PolarHBondContact O-N 2.94Å; E316-H318 VanDerWaalsContact C-N 3.33Å; E316-H318 PolarHBondContact O-N 3.35Å; H318-Q321 PolarHBondContact ND1-OE1 2.85Å; H318-Q321 WeakPolarHBondContact O-CB 3.48Å; H318-Q321 PolarHBondContact O-N 3.15Å; H318-R322 PolarHBondContact O-N 3.47Å; H318-R322 VanDerWaalsContact O-N 3.15Å
319E69Low63.2Low122 Ų122108 Ų10857%0.5753%0.525SS*.Hα-helixtrans-67.7-47.1174.2-74.7-172.7161.500111.3L315 E316 Q321 R322 E323L315-E319 PolarHBondContact O-N 3.45Å; E316-E319 PolarHBondContact O-N 2.83Å; E319-Q321 PolarHBondContact O-N 3.47Å; E319-R322 WeakPolarHBondContact O-CB 3.5Å; E319-R322 PolarHBondContact O-N 3.49Å; E319-E323 PolarHBondContact O-N 2.73Å
320L56.4Low63.2Low117 Ų117106.6 Ų106.661%0.61352%0.524SS*.Hα-helixtrans-57-37.9173.2-101.995.8000112.1E316 R322 E323 F324E316-L320 WeakPolarHBondContact O-CD1 3.44Å; E316-L320 PolarHBondContact O-N 3.17Å; L320-R322 VanDerWaalsContact C-N 3.34Å; L320-E323 PolarHBondContact O-N 2.98Å; L320-F324 WeakPolarHBondContact O-CB 3.1Å; L320-F324 PolarHBondContact O-N 3.21Å
321Q48.3Very low63.1Low58 Ų58106.6 Ų106.627%0.27152%0.52SS..Hα-helixtrans-62.5-40.4175.5-81.7-178.2-21.200112.6F317 H318 E319 A325F317-Q321 HydrophobicContact CD1-CG 4.42Å; F317-Q321 HydrophobicContact CE1-CG 4.21Å; F317-Q321 VanDerWaalsContact O-CG 3.29Å; F317-Q321 WeakPolarHBondContact O-CG 3.38Å; F317-Q321 PolarHBondContact O-N 2.75Å; H318-Q321 PolarHBondContact ND1-OE1 2.85Å; H318-Q321 WeakPolarHBondContact O-CB 3.48Å; H318-Q321 PolarHBondContact O-N 3.15Å; E319-Q321 PolarHBondContact O-N 3.47Å; Q321-A325 WeakPolarHBondContact O-CB 3.39Å; Q321-A325 PolarHBondContact O-N 3.49Å
322R65.8Low62.7Low160 Ų160107.4 Ų107.460%0.60452%0.52SS*.Hα-helixtrans-65.9-48.7178-170.8-173.4-58.6161.66110.5H318 E319 L320 F324 A325 E326H318-R322 PolarHBondContact O-N 3.47Å; H318-R322 VanDerWaalsContact O-N 3.15Å; E319-R322 WeakPolarHBondContact O-CB 3.5Å; E319-R322 PolarHBondContact O-N 3.49Å; L320-R322 VanDerWaalsContact C-N 3.34Å; R322-F324 VanDerWaalsContact C-N 3.28Å; R322-F324 PolarHBondContact O-N 2.72Å; R322-A325 PolarHBondContact O-N 3.25Å; R322-E326 WeakPolarHBondContact O-CG 3.37Å; R322-E326 PolarHBondContact O-N 3.04Å
323E65.4Low62.1Low136 Ų136108.6 Ų108.664%0.63652%0.523SS*.Hα-helixtrans-58.5-41.2177.2-70.5-171.6169.700111.7E319 L320 E326 F327E319-E323 PolarHBondContact O-N 2.73Å; L320-E323 PolarHBondContact O-N 2.98Å; E323-E326 PolarHBondContact O-N 2.98Å; E323-F327 WeakPolarHBondContact O-CB 3.06Å; E323-F327 PolarHBondContact O-N 3.38Å
324F59.3Low62.1Low123 Ų123108.1 Ų108.154%0.53952%0.518SS..Hα-helixtrans-67.9-39.7178.1-172.5-98000112.9L320 R322 F327 K328L320-F324 WeakPolarHBondContact O-CB 3.1Å; L320-F324 PolarHBondContact O-N 3.21Å; R322-F324 VanDerWaalsContact C-N 3.28Å; R322-F324 PolarHBondContact O-N 2.72Å; F324-F327 PolarHBondContact O-N 3.32Å; F324-K328 WeakPolarHBondContact O-CB 3.21Å; F324-K328 PolarHBondContact O-N 2.87Å
325A55.7Low61.6Low59 Ų59107.5 Ų107.549%0.48852%0.52SS..Hα-helixtrans-65.4-40.9175.900000111.8Q321 R322 K328 L329Q321-A325 WeakPolarHBondContact O-CB 3.39Å; Q321-A325 PolarHBondContact O-N 3.49Å; R322-A325 PolarHBondContact O-N 3.25Å; A325-K328 PolarHBondContact O-N 3.22Å; A325-L329 WeakPolarHBondContact O-CB 3.28Å; A325-L329 PolarHBondContact O-N 3.02Å
326E70.3Confident61.1Low119 Ų119107.5 Ų107.556%0.55652%0.517SS*.Hα-helixtrans-62.4-45.4174-74.4178.8-178.100111.4R322 E323 K328 L329 A330R322-E326 WeakPolarHBondContact O-CG 3.37Å; R322-E326 PolarHBondContact O-N 3.04Å; E323-E326 PolarHBondContact O-N 2.98Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 PolarHBondContact O-N 3.28Å; E326-L329 PolarHBondContact O-N 3.1Å; E326-A330 WeakPolarHBondContact O-CB 3.35Å; E326-A330 PolarHBondContact O-N 2.84Å
327F60.5Low60.5Low142 Ų142104.3 Ų104.362%0.62351%0.512SS*.Hα-helixtrans-58.8-43.2175.6-176-95.3000111.9E323 F324 A330 R331E323-F327 WeakPolarHBondContact O-CB 3.06Å; E323-F327 PolarHBondContact O-N 3.38Å; F324-F327 PolarHBondContact O-N 3.32Å; F327-A330 PolarHBondContact O-N 3.35Å; F327-R331 WeakPolarHBondContact O-CB 3.22Å; F327-R331 PolarHBondContact O-N 3.35Å
328K55.9Low60Low119 Ų119104.7 Ų104.752%0.51752%0.519SS..Hα-helixtrans-66.3-42.5179.1-166.7174.3-176.31770112.2F324 A325 E326 R331 T332F324-K328 WeakPolarHBondContact O-CB 3.21Å; F324-K328 PolarHBondContact O-N 2.87Å; A325-K328 PolarHBondContact O-N 3.22Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 PolarHBondContact O-N 3.28Å; K328-R331 PolarHBondContact O-N 2.88Å; K328-T332 WeakPolarHBondContact O-CB 3.24Å; K328-T332 PolarHBondContact O-N 2.88Å; K328-T332 PolarHBondContact O-OG1 2.86Å
329L66.5Low59.8Low111 Ų111108 Ų10858%0.58153%0.532SS*.Hα-helixtrans-63.5-47.1175.9-177.464.5000111.3A325 E326 R331 T332 L333A325-L329 WeakPolarHBondContact O-CB 3.28Å; A325-L329 PolarHBondContact O-N 3.02Å; E326-L329 PolarHBondContact O-N 3.1Å; L329-R331 VanDerWaalsContact C-N 3.27Å; L329-R331 PolarHBondContact O-N 3.22Å; L329-T332 PolarHBondContact O-N 3.4Å; L329-T332 VanDerWaalsContact O-N 3.16Å; L329-L333 HydrophobicContact CD1-CD1 4.47Å; L329-L333 HydrophobicContact CG-CD1 4.18Å; L329-L333 WeakPolarHBondContact O-CG 3.36Å; L329-L333 PolarHBondContact O-N 3.09Å
330A68.3Low59.1Low49 Ų49107.4 Ų107.441%0.40553%0.529SS..Hα-helixtrans-55.2-45.2176.300000111.1E326 F327 T332 L333 E334E326-A330 WeakPolarHBondContact O-CB 3.35Å; E326-A330 PolarHBondContact O-N 2.84Å; F327-A330 PolarHBondContact O-N 3.35Å; A330-T332 VanDerWaalsContact C-N 3.33Å; A330-T332 PolarHBondContact O-N 2.84Å; A330-L333 PolarHBondContact O-N 2.82Å; A330-E334 WeakPolarHBondContact O-CG 3.45Å; A330-E334 PolarHBondContact O-N 3.5Å
331R65.5Low58.8Low141 Ų141106.5 Ų106.553%0.53253%0.528SS..Hα-helixtrans-71.6-27.7-178.6-149.949.6168.3178.78.1114F327 K328 L329 E334 L335F327-R331 WeakPolarHBondContact O-CB 3.22Å; F327-R331 PolarHBondContact O-N 3.35Å; K328-R331 PolarHBondContact O-N 2.88Å; L329-R331 VanDerWaalsContact C-N 3.27Å; L329-R331 PolarHBondContact O-N 3.22Å; R331-E334 WeakPolarHBondContact CD-OE2 3.35Å; R331-E334 IonicContact CZ-OE2 2.88Å; R331-E334 IonicContact NE-OE2 3.77Å; R331-E334 IonicContact NH1-OE1 3.97Å; R331-E334 PolarHBondContact NH1-OE1 2.96Å; R331-E334 VanDerWaalsContact NH1-OE1 3.14Å; R331-E334 IonicContact NH1-OE2 2.77Å; R331-E334 PolarHBondContact NH1-OE2 2.91Å; R331-L335 WeakPolarHBondContact O-CG 3.3Å; R331-L335 PolarHBondContact O-N 3.43Å
332T54.8Low58.8Low65 Ų65107.6 Ų107.640%0.39954%0.542SS..Hα-helixtrans-72.6-42.3175-52.20000110.4K328 L329 A330 E334 L335 E336K328-T332 WeakPolarHBondContact O-CB 3.24Å; K328-T332 PolarHBondContact O-N 2.88Å; K328-T332 PolarHBondContact O-OG1 2.86Å; L329-T332 PolarHBondContact O-N 3.4Å; L329-T332 VanDerWaalsContact O-N 3.16Å; A330-T332 VanDerWaalsContact C-N 3.33Å; A330-T332 PolarHBondContact O-N 2.84Å; T332-E334 PolarHBondContact O-N 3.08Å; T332-L335 WeakPolarHBondContact O-CB 3.37Å; T332-L335 PolarHBondContact O-N 3.06Å; T332-E336 PolarHBondContact O-N 2.85Å
333L62.8Low58Low97 Ų97105.9 Ų105.951%0.50854%0.539SS..Hα-helixtrans-64.9-36.7175.7-70.7171.1000112.7L329 A330 L335 E336 G337L329-L333 HydrophobicContact CD1-CD1 4.47Å; L329-L333 HydrophobicContact CG-CD1 4.18Å; L329-L333 WeakPolarHBondContact O-CG 3.36Å; L329-L333 PolarHBondContact O-N 3.09Å; A330-L333 PolarHBondContact O-N 2.82Å; L333-L335 VanDerWaalsContact C-N 3.31Å; L333-L335 PolarHBondContact O-N 2.57Å; L333-E336 PolarHBondContact O-N 3.28Å; L333-G337 PolarHBondContact O-N 3.04Å
334E60.7Low57.2Low101 Ų101108.9 Ų108.947%0.47255%0.545SS..Hα-helixtrans-64.1-35.3173.4-74.8172.2127.900112.5A330 R331 T332 L338A330-E334 WeakPolarHBondContact O-CG 3.45Å; A330-E334 PolarHBondContact O-N 3.5Å; R331-E334 WeakPolarHBondContact CD-OE2 3.35Å; R331-E334 IonicContact CZ-OE2 2.88Å; R331-E334 IonicContact NE-OE2 3.77Å; R331-E334 IonicContact NH1-OE1 3.97Å; R331-E334 PolarHBondContact NH1-OE1 2.96Å; R331-E334 VanDerWaalsContact NH1-OE1 3.14Å; R331-E334 IonicContact NH1-OE2 2.77Å; R331-E334 PolarHBondContact NH1-OE2 2.91Å; T332-E334 PolarHBondContact O-N 3.08Å; E334-L338 PolarHBondContact O-N 2.94Å; E334-L338 VanDerWaalsContact O-N 3.12Å
335L51.9Low56.5Low98 Ų98107.3 Ų107.351%0.51355%0.548SS..Hα-helixtrans-69.6-42174.9-74166.8000111.9R331 T332 L333 G337 L338 F339R331-L335 WeakPolarHBondContact O-CG 3.3Å; R331-L335 PolarHBondContact O-N 3.43Å; T332-L335 WeakPolarHBondContact O-CB 3.37Å; T332-L335 PolarHBondContact O-N 3.06Å; L333-L335 VanDerWaalsContact C-N 3.31Å; L333-L335 PolarHBondContact O-N 2.57Å; L335-G337 VanDerWaalsContact C-N 3.33Å; L335-L338 PolarHBondContact O-N 3Å; L335-F339 PolarHBondContact O-N 2.91Å
336E58.4Low55.9Low120 Ų120107.7 Ų107.756%0.56155%0.551SS**Hα-helixtrans-64.4-38.6174.8-71.2-176.4169.300111.7T332 L333 L338 F339 E340T332-E336 PolarHBondContact O-N 2.85Å; L333-E336 PolarHBondContact O-N 3.28Å; E336-L338 VanDerWaalsContact C-N 3.35Å; E336-L338 PolarHBondContact O-N 3.22Å; E336-F339 WeakPolarHBondContact O-CB 3.42Å; E336-F339 PolarHBondContact O-N 2.76Å; E336-F339 VanDerWaalsContact O-N 3.15Å; E336-E340 PolarHBondContact O-N 3.24Å
337G58.4Low54.6Low38 Ų38106.4 Ų106.439%0.39255%0.552SS.*Hα-helixtrans-60.7-40.6173.800000113L333 L335 F339 V341L333-G337 PolarHBondContact O-N 3.04Å; L335-G337 VanDerWaalsContact C-N 3.33Å; G337-F339 VanDerWaalsContact C-N 3.33Å; G337-V341 WeakPolarHBondContact O-CG2 3.33Å; G337-V341 PolarHBondContact O-N 3.45Å
338L51.5Low53.8Low130 Ų130104.2 Ų104.268%0.68155%0.554SS**Hα-helixtrans-64.8-38.8173.4-11594.1000112E334 L335 E336 V341 S342E334-L338 PolarHBondContact O-N 2.94Å; E334-L338 VanDerWaalsContact O-N 3.12Å; L335-L338 PolarHBondContact O-N 3Å; E336-L338 VanDerWaalsContact C-N 3.35Å; E336-L338 PolarHBondContact O-N 3.22Å; L338-V341 PolarHBondContact O-N 3.23Å; L338-S342 PolarHBondContact O-N 3.41Å; L338-S342 VanDerWaalsContact O-N 3.11Å
339F51.6Low53.2Low164 Ų164107 Ų10772%0.71957%0.569SS**Hα-helixtrans-65.9-39.9-179.5-139.7-91.1000111.9L335 E336 G337 S342 K343L335-F339 PolarHBondContact O-N 2.91Å; E336-F339 WeakPolarHBondContact O-CB 3.42Å; E336-F339 PolarHBondContact O-N 2.76Å; E336-F339 VanDerWaalsContact O-N 3.15Å; G337-F339 VanDerWaalsContact C-N 3.33Å; F339-S342 WeakPolarHBondContact O-CB 3.39Å; F339-S342 PolarHBondContact O-N 2.95Å; F339-K343 PolarHBondContact O-N 3.32Å; F339-K343 VanDerWaalsContact O-N 3.08Å
340E52.7Low51.6Low108 Ų108110.4 Ų110.451%0.50558%0.582SS.*Hα-helixtrans-69.8-34.6176-81.9-62.2141.400113.1E336 S342 K343 R344E336-E340 PolarHBondContact O-N 3.24Å; E340-S342 VanDerWaalsContact C-N 3.34Å; E340-K343 PolarHBondContact O-N 3.21Å; E340-R344 PolarHBondContact O-N 2.68Å
341V50.4Low49.9Very low98 Ų98113.3 Ų113.359%0.59460%0.598SS**Hα-helixtrans-62.3-44172.3172.60000110.6G337 L338 K343 R344 C345G337-V341 WeakPolarHBondContact O-CG2 3.33Å; G337-V341 PolarHBondContact O-N 3.45Å; L338-V341 PolarHBondContact O-N 3.23Å; V341-K343 VanDerWaalsContact C-N 3.3Å; V341-K343 PolarHBondContact O-N 2.9Å; V341-R344 PolarHBondContact O-N 3.47Å; V341-C345 PolarHBondContact O-N 3.16Å; V341-C345 VanDerWaalsContact O-N 3.14Å
342S49.1Very low48.2Very low81 Ų81111.6 Ų111.657%0.56661%0.608SS**Hα-helixtrans-57.5-43.9174.8-176.70000111.7L338 F339 E340 R344 C345 A346L338-S342 PolarHBondContact O-N 3.41Å; L338-S342 VanDerWaalsContact O-N 3.11Å; F339-S342 WeakPolarHBondContact O-CB 3.39Å; F339-S342 PolarHBondContact O-N 2.95Å; E340-S342 VanDerWaalsContact C-N 3.34Å; S342-R344 PolarHBondContact O-N 3.25Å; S342-C345 PolarHBondContact O-N 3.24Å; S342-A346 PolarHBondContact O-N 2.92Å; S342-A346 VanDerWaalsContact O-N 3.16Å
343K48.8Very low47.3Very low124 Ų124118.4 Ų118.454%0.53963%0.627SS.*Hα-helixtrans-67.1-35.1179.7-149.4179-171.8178.60113.7F339 E340 V341 A346 T347F339-K343 PolarHBondContact O-N 3.32Å; F339-K343 VanDerWaalsContact O-N 3.08Å; E340-K343 PolarHBondContact O-N 3.21Å; V341-K343 VanDerWaalsContact C-N 3.3Å; V341-K343 PolarHBondContact O-N 2.9Å; K343-A346 PolarHBondContact O-N 2.94Å; K343-T347 PolarHBondContact O-N 3.41Å; K343-T347 PolarHBondContact O-OG1 3.34Å
344R47.6Very low45.8Very low199 Ų199123.1 Ų123.175%0.75165%0.647SS**Hα-helixtrans-68.8-36.4175.1-109.3175.6-179.1164.82.1112.5E340 V341 S342 A346 T347 S348E340-R344 PolarHBondContact O-N 2.68Å; V341-R344 PolarHBondContact O-N 3.47Å; S342-R344 PolarHBondContact O-N 3.25Å; R344-A346 VanDerWaalsContact C-N 3.32Å; R344-T347 PolarHBondContact O-OG1 2.63Å; R344-S348 PolarHBondContact O-N 3.16Å
345C46.1Very low44.5Very low90 Ų90125.7 Ų125.761%0.60866%0.663SS**Hα-helixtrans-64.2-39.3172.9-74.30000111.4V341 S342 T347V341-C345 PolarHBondContact O-N 3.16Å; V341-C345 VanDerWaalsContact O-N 3.14Å; S342-C345 PolarHBondContact O-N 3.24Å; C345-T347 PolarHBondContact O-N 3.46Å
346A43.2Very low43.6Very low67 Ų67126.7 Ų126.755%0.55468%0.675SS**Hα-helixtrans-68.1-32.8179.200000114.2S342 K343 R344S342-A346 PolarHBondContact O-N 2.92Å; S342-A346 VanDerWaalsContact O-N 3.16Å; K343-A346 PolarHBondContact O-N 2.94Å; R344-A346 VanDerWaalsContact C-N 3.32Å
347T42.4Very low42.3Very low93 Ų93125.7 Ų125.757%0.57169%0.688SS**Hα-helixtrans-87.4-10.9-176.750.20000114.3K343 R344 C345 E349K343-T347 PolarHBondContact O-N 3.41Å; K343-T347 PolarHBondContact O-OG1 3.34Å; R344-T347 PolarHBondContact O-OG1 2.63Å; C345-T347 PolarHBondContact O-N 3.46Å; T347-E349 PolarHBondContact O-N 2.92Å
348S43.5Very low41.1Very low96 Ų96129.5 Ų129.567%0.67171%0.708SS**G310 helixtrans-75-9.7176.6-171.40000113.7R344R344-S348 PolarHBondContact O-N 3.16Å
349E43.5Very low40.1Very low176 Ų176128.1 Ų128.182%0.82271%0.71SS**G310 helixtrans-83.8-12.2-177.9-67.8-167.9153.900114.4T347T347-E349 PolarHBondContact O-N 2.92Å
350E33.6Very low39.3Very low184 Ų184126.7 Ų126.786%0.8672%0.717SS**G310 helixtrans-92.34.9-174.1-81.5-171.5153.800115.4
351C31.4Very low38.2Very low110 Ų110126.9 Ų126.974%0.74373%0.729SS**  trans-100.4109.1-175.7-1390000113.3
352S29.1Very low37.3Very low105 Ų105124.7 Ų124.773%0.73472%0.721SS**  trans105.597149.2-43.40000117.4
353Y37.4Very low36.6Very low207 Ų207127 Ų12781%0.81273%0.732SS**  trans-148.485.8143.655.3-85.9000110.8
354E31.1Very low36Very low196 Ų196126 Ų12692%0.91674%0.741SS**  trans-107.399.8146.9-74.4-156.4166.400107.1P356E354-P356 WeakPolarHBondContact O-CD 3.45Å
355L33.4Very low35.4Very low156 Ų156120.1 Ų120.182%0.81773%0.727SS**  trans-87.2119176.7-86.8136.9000109.6
356P32.5Very low35Very low118 Ų118120.8 Ų120.877%0.76672%0.723SS**  trans-80121.1160.4-5.223.6000108.8E354 S358E354-P356 WeakPolarHBondContact O-CD 3.45Å; P356-S358 PolarHBondContact O-N 3.45Å
357A30.8Very low34.8Very low100 Ų100123.3 Ų123.383%0.82673%0.728SS**  trans-62113.3173.900000111.3
358S32.4Very low34.5Very low117 Ų117121.9 Ų121.982%0.81872%0.721SS**  trans175.3105.9147.441.70000110.7P356P356-S358 PolarHBondContact O-N 3.45Å
359S32.2Very low34.4Very low102 Ų102123 Ų12371%0.71372%0.717SS**  trans159.7120.4144.4175.70000110.2C361S359-C361 PolarHBondContact O-N 2.91Å
360P33.2Very low34.3Very low134 Ų134119.3 Ų119.387%0.8770%0.702SS**  trans-85.791179.733.5-29.1000110
361C31.1Very low34.7Very low112 Ų112115.3 Ų115.376%0.75769%0.691SS**  trans-138.1-0.2166.9-158.30000114S359 T363S359-C361 PolarHBondContact O-N 2.91Å; C361-T363 PolarHBondContact O-N 2.88Å
362A31.9Very low35.1Very low51 Ų51115.2 Ų115.242%0.42168%0.682SS.*  trans-97.719.6-166.100000116S364 T365 I366A362-S364 PolarHBondContact O-N 3.41Å; A362-T365 PolarHBondContact O-N 3.25Å; A362-I366 WeakPolarHBondContact O-CG1 3.41Å; A362-I366 PolarHBondContact O-N 3.48Å
363T34.2Very low35.8Very low131 Ų131117.1 Ų117.180%0.80468%0.677SS**THydrogen-bonded Turntrans-68.5-16.8-174.9-24.10000113.8C361C361-T363 PolarHBondContact O-N 2.88Å
364S36.4Very low35.9Very low103 Ų103109.8 Ų109.872%0.7266%0.659SS**THydrogen-bonded Turntrans-92.6-20.5173.775.80000114.3A362A362-S364 PolarHBondContact O-N 3.41Å
365T33.9Very low36.3Very low75 Ų75107 Ų10746%0.4665%0.645SS.*Hα-helixtrans-86.8-27.8-177.5-41.90000112.2A362 N367 C368 M369A362-T365 PolarHBondContact O-N 3.25Å; T365-N367 PolarHBondContact O-N 3.01Å; T365-C368 PolarHBondContact O-N 3.42Å; T365-C368 PolarHBondContact O-SG 3.32Å; T365-M369 PolarHBondContact O-N 3.32Å; T365-M369 VanDerWaalsContact O-N 3.1Å
366I38.8Very low36.7Very low104 Ų104102 Ų10253%0.53363%0.625SS.*Hα-helixtrans-64.5-30.7-179.9-65.7167.8000111.3A362 N370A362-I366 WeakPolarHBondContact O-CG1 3.41Å; A362-I366 PolarHBondContact O-N 3.48Å; I366-N370 PolarHBondContact O-N 2.97Å; I366-N370 VanDerWaalsContact O-N 3.11Å
367N37.7Very low37.2Very low120 Ų12098.5 Ų98.564%0.64260%0.602SS**Hα-helixtrans-78.2-31.8178.5-11611.4000113.5T365 V371T365-N367 PolarHBondContact O-N 3.01Å; N367-V371 VanDerWaalsContact O-CG2 3.3Å; N367-V371 WeakPolarHBondContact O-CG2 3.5Å; N367-V371 PolarHBondContact O-N 2.75Å
368C36.1Very low37.5Very low63 Ų6397.1 Ų97.143%0.42659%0.586SS.*Hα-helixtrans-75-34.5174.864.90000111.8T365 V371 L372T365-C368 PolarHBondContact O-N 3.42Å; T365-C368 PolarHBondContact O-SG 3.32Å; C368-V371 PolarHBondContact O-N 2.89Å; C368-L372 WeakPolarHBondContact O-CB 3.25Å; C368-L372 PolarHBondContact O-N 3.47Å
369M41.5Very low37.8Very low120 Ų12094.5 Ų94.559%0.59157%0.565SS**Hα-helixtrans-67.5-38.2174.3-82.7-65.2-141.300112.6T365 V371 L372 F373T365-M369 PolarHBondContact O-N 3.32Å; T365-M369 VanDerWaalsContact O-N 3.1Å; M369-V371 VanDerWaalsContact C-N 3.33Å; M369-V371 PolarHBondContact O-N 2.88Å; M369-L372 PolarHBondContact O-N 3.41Å; M369-F373 WeakPolarHBondContact O-CB 3.35Å; M369-F373 PolarHBondContact O-N 2.88Å
370N40.7Very low38.2Very low97 Ų9792.1 Ų92.152%0.51955%0.549SS..Hα-helixtrans-67.7-33.8175.6-78.8-2.9000112.6I366 A374I366-N370 PolarHBondContact O-N 2.97Å; I366-N370 VanDerWaalsContact O-N 3.11Å; N370-A374 VanDerWaalsContact O-CB 3.23Å; N370-A374 WeakPolarHBondContact O-CB 3.41Å; N370-A374 PolarHBondContact O-N 3.18Å
371V42.7Very low38.5Very low101 Ų10195.1 Ų95.161%0.61254%0.543SS*.Hα-helixtrans-72.9-39.5175177.40000110.9N367 C368 M369 F375N367-V371 VanDerWaalsContact O-CG2 3.3Å; N367-V371 WeakPolarHBondContact O-CG2 3.5Å; N367-V371 PolarHBondContact O-N 2.75Å; C368-V371 PolarHBondContact O-N 2.89Å; M369-V371 VanDerWaalsContact C-N 3.33Å; M369-V371 PolarHBondContact O-N 2.88Å; V371-F375 WeakPolarHBondContact O-CB 3.4Å; V371-F375 PolarHBondContact O-N 3.18Å
372L40.5Very low38.9Very low107 Ų10796.3 Ų96.356%0.5654%0.541SS*.Hα-helixtrans-67.7-36173.2-88159000112.3C368 M369 F375 A376C368-L372 WeakPolarHBondContact O-CB 3.25Å; C368-L372 PolarHBondContact O-N 3.47Å; M369-L372 PolarHBondContact O-N 3.41Å; L372-F375 PolarHBondContact O-N 3.44Å; L372-A376 WeakPolarHBondContact O-CA 3.28Å; L372-A376 WeakPolarHBondContact O-CB 3.14Å; L372-A376 PolarHBondContact O-N 3.34Å
373F42.6Very low39.4Very low145 Ų14596 Ų9664%0.63654%0.538SS*.Hα-helixtrans-71.4-42.7175.9-171.5-98.3000110.8M369 F375 A376 V377M369-F373 WeakPolarHBondContact O-CB 3.35Å; M369-F373 PolarHBondContact O-N 2.88Å; F373-F375 VanDerWaalsContact C-N 3.32Å; F373-F375 PolarHBondContact O-N 2.99Å; F373-A376 PolarHBondContact O-N 3.27Å; F373-V377 HydrophobicContact CD1-CG2 3.94Å; F373-V377 HydrophobicContact CD2-CG2 4.28Å; F373-V377 HydrophobicContact CE1-CG2 3.67Å; F373-V377 HydrophobicContact CE2-CG2 4.02Å; F373-V377 HydrophobicContact CG-CG2 4.24Å; F373-V377 HydrophobicContact CZ-CG2 3.71Å; F373-V377 WeakPolarHBondContact O-CB 3.49Å; F373-V377 WeakPolarHBondContact O-CG2 3.5Å; F373-V377 PolarHBondContact O-N 3.45Å
374A40.9Very low39.6Very low53 Ų5396.6 Ų96.644%0.43853%0.532SS..Hα-helixtrans-63.8-39.617300000111.5N370 S378N370-A374 VanDerWaalsContact O-CB 3.23Å; N370-A374 WeakPolarHBondContact O-CB 3.41Å; N370-A374 PolarHBondContact O-N 3.18Å; A374-S378 WeakPolarHBondContact O-CB 3.46Å; A374-S378 PolarHBondContact O-N 3.08Å; A374-S378 PolarHBondContact O-OG 3.1Å
375F39.6Very low40Very low139 Ų13997.7 Ų97.761%0.6153%0.53SS*.Hα-helixtrans-67.9-48.8175.8-168.7-98.4000111.1V371 L372 F373 V377 S378 T379V371-F375 WeakPolarHBondContact O-CB 3.4Å; V371-F375 PolarHBondContact O-N 3.18Å; L372-F375 PolarHBondContact O-N 3.44Å; F373-F375 VanDerWaalsContact C-N 3.32Å; F373-F375 PolarHBondContact O-N 2.99Å; F375-V377 PolarHBondContact O-N 3.19Å; F375-S378 CarbonylContact O-C 3.58Å; F375-S378 PolarHBondContact O-N 2.93Å; F375-T379 HydrophobicContact CD1-CG2 4.15Å; F375-T379 HydrophobicContact CE1-CG2 3.79Å; F375-T379 HydrophobicContact CE2-CG2 4.39Å; F375-T379 HydrophobicContact CZ-CG2 3.92Å; F375-T379 WeakPolarHBondContact O-CB 3.44Å; F375-T379 PolarHBondContact O-N 2.99Å; F375-T379 PolarHBondContact O-OG1 3.28Å
376A40.6Very low40.4Very low49 Ų4999.7 Ų99.741%0.40554%0.537SS..Hα-helixtrans-63.4-41.8179.200000112.1L372 F373 S378 T379 S380L372-A376 WeakPolarHBondContact O-CA 3.28Å; L372-A376 WeakPolarHBondContact O-CB 3.14Å; L372-A376 PolarHBondContact O-N 3.34Å; F373-A376 PolarHBondContact O-N 3.27Å; A376-S378 VanDerWaalsContact C-N 3.34Å; A376-T379 WeakPolarHBondContact CA-OG1 3.19Å; A376-T379 PolarHBondContact O-N 2.96Å; A376-T379 PolarHBondContact O-OG1 2.9Å; A376-S380 WeakPolarHBondContact O-CB 3.28Å; A376-S380 PolarHBondContact O-N 3.37Å; A376-S380 PolarHBondContact O-OG 3.13Å; A376-S380 VanDerWaalsContact O-OG 3.06Å
377V43.9Very low40.7Very low46 Ų46100.1 Ų100.128%0.27954%0.54SS..Hα-helixtrans-69.8-33.3175173.40000111.4F373 F375 S380 R381F373-V377 HydrophobicContact CD1-CG2 3.94Å; F373-V377 HydrophobicContact CD2-CG2 4.28Å; F373-V377 HydrophobicContact CE1-CG2 3.67Å; F373-V377 HydrophobicContact CE2-CG2 4.02Å; F373-V377 HydrophobicContact CG-CG2 4.24Å; F373-V377 HydrophobicContact CZ-CG2 3.71Å; F373-V377 WeakPolarHBondContact O-CB 3.49Å; F373-V377 WeakPolarHBondContact O-CG2 3.5Å; F373-V377 PolarHBondContact O-N 3.45Å; F375-V377 PolarHBondContact O-N 3.19Å; V377-S380 PolarHBondContact O-OG 3.43Å; V377-R381 WeakPolarHBondContact O-CB 3.32Å; V377-R381 PolarHBondContact O-N 2.79Å
378S36.6Very low41.3Very low71 Ų71100.4 Ų100.450%0.49754%0.541SS..Hα-helixtrans-74.9-32.1175.1-56.40000112.2A374 F375 A376 L382A374-S378 WeakPolarHBondContact O-CB 3.46Å; A374-S378 PolarHBondContact O-N 3.08Å; A374-S378 PolarHBondContact O-OG 3.1Å; F375-S378 CarbonylContact O-C 3.58Å; F375-S378 PolarHBondContact O-N 2.93Å; A376-S378 VanDerWaalsContact C-N 3.34Å; S378-L382 WeakPolarHBondContact O-CG 3.42Å
379T39.1Very low42Very low62 Ų62103.8 Ų103.838%0.3855%0.551SS.*Hα-helixtrans-83.7-31.1175.649.40000112.8F375 A376 L382 A383F375-T379 HydrophobicContact CD1-CG2 4.15Å; F375-T379 HydrophobicContact CE1-CG2 3.79Å; F375-T379 HydrophobicContact CE2-CG2 4.39Å; F375-T379 HydrophobicContact CZ-CG2 3.92Å; F375-T379 WeakPolarHBondContact O-CB 3.44Å; F375-T379 PolarHBondContact O-N 2.99Å; F375-T379 PolarHBondContact O-OG1 3.28Å; A376-T379 WeakPolarHBondContact CA-OG1 3.19Å; A376-T379 PolarHBondContact O-N 2.96Å; A376-T379 PolarHBondContact O-OG1 2.9Å; T379-L382 PolarHBondContact O-N 2.85Å; T379-A383 WeakPolarHBondContact O-CB 3.46Å; T379-A383 PolarHBondContact O-N 3.27Å
380S39.9Very low42.4Very low52 Ų52101 Ų10136%0.36454%0.543SS..Hα-helixtrans-72.8-41.7176.868.30000111.1A376 V377 L382 A383 E384A376-S380 WeakPolarHBondContact O-CB 3.28Å; A376-S380 PolarHBondContact O-N 3.37Å; A376-S380 PolarHBondContact O-OG 3.13Å; A376-S380 VanDerWaalsContact O-OG 3.06Å; V377-S380 PolarHBondContact O-OG 3.43Å; S380-L382 PolarHBondContact O-N 2.91Å; S380-A383 PolarHBondContact O-N 2.91Å; S380-E384 PolarHBondContact O-N 2.69Å
381R41.1Very low42.7Very low197 Ų19798.7 Ų98.774%0.74353%0.534SS*.Hα-helixtrans-69.7-13.3175.5-76.5-172.4-178.5-174.21.2115.1V377V377-R381 WeakPolarHBondContact O-CB 3.32Å; V377-R381 PolarHBondContact O-N 2.79Å
382L38.1Very low43.6Very low136 Ų13696.2 Ų96.271%0.71252%0.521SS*.Hα-helixtrans-110-7.3177.1-65.4179.3000113.5S378 T379 S380S378-L382 WeakPolarHBondContact O-CG 3.42Å; T379-L382 PolarHBondContact O-N 2.85Å; S380-L382 PolarHBondContact O-N 2.91Å
383A41.7Very low44.5Very low44 Ų4494.1 Ų94.136%0.36452%0.515SS..Hα-helixtrans-112.7-26.5-176.900000114.5T379 S380 I387T379-A383 WeakPolarHBondContact O-CB 3.46Å; T379-A383 PolarHBondContact O-N 3.27Å; S380-A383 PolarHBondContact O-N 2.91Å; A383-I387 WeakPolarHBondContact O-CG1 3.32Å
384E40.1Very low45.8Very low145 Ų14593.5 Ų93.568%0.67851%0.512SS*.Hα-helixtrans-76.9-42.2-178.2-75.9-174.6159.900112.8S380 D386 D388S380-E384 PolarHBondContact O-N 2.69Å; E384-D386 PolarHBondContact O-N 2.77Å; E384-D388 WeakPolarHBondContact O-CB 3.15Å; E384-D388 PolarHBondContact O-N 3.46Å
385D43.3Very low47.2Very low126 Ų12697.3 Ų97.367%0.67452%0.519SS*.Hα-helixtrans-67.8-40.1-178.4-75.3-26.2000112.3E389D385-E389 WeakPolarHBondContact O-CB 3.37Å; D385-E389 PolarHBondContact O-N 2.81Å; D385-E389 VanDerWaalsContact O-N 3.09Å
386D42.4Very low48.7Very low116 Ų11698.4 Ų98.462%0.6252%0.519SS*.Hα-helixtrans-75.2-33.6-175.2-89.5-22.9000113.7E384 C390E384-D386 PolarHBondContact O-N 2.77Å; D386-C390 WeakPolarHBondContact O-CB 3.43Å; D386-C390 PolarHBondContact O-N 3.42Å; D386-C390 VanDerWaalsContact O-N 3.1Å
387I45.8Very low50.3Low114 Ų114102 Ų10259%0.58553%0.528SS*.Hα-helixtrans-78.7-38.1-178.5-61.8176000110.9A383 S391A383-I387 WeakPolarHBondContact O-CG1 3.32Å; I387-S391 WeakPolarHBondContact O-CB 3.5Å; I387-S391 PolarHBondContact O-N 2.95Å; I387-S391 PolarHBondContact O-OG 3.27Å
388D49.4Very low51.5Low126 Ų126105.4 Ų105.467%0.67454%0.544SS*.Hα-helixtrans-74.7-36.7-179.6-135.516000110.9E384 S392E384-D388 WeakPolarHBondContact O-CB 3.15Å; E384-D388 PolarHBondContact O-N 3.46Å; D388-S392 WeakPolarHBondContact O-CB 3.27Å; D388-S392 PolarHBondContact O-N 3.39Å
389E51.1Low53Low134 Ų134106.6 Ų106.663%0.62654%0.544SS*.Hα-helixtrans-68.7-39.4173.4-164.9173-163.700112.1D385 S393D385-E389 WeakPolarHBondContact O-CB 3.37Å; D385-E389 PolarHBondContact O-N 2.81Å; D385-E389 VanDerWaalsContact O-N 3.09Å; E389-S393 VanDerWaalsContact O-CB 3.24Å; E389-S393 WeakPolarHBondContact O-CB 3.36Å; E389-S393 PolarHBondContact O-N 3.23Å
390C51.3Low54.4Low62 Ų62107.2 Ų107.242%0.41955%0.552SS.*Hα-helixtrans-64.1-43.5176-171.80000112D386 S393 K394D386-C390 WeakPolarHBondContact O-CB 3.43Å; D386-C390 PolarHBondContact O-N 3.42Å; D386-C390 VanDerWaalsContact O-N 3.1Å; C390-S393 PolarHBondContact O-N 3.2Å; C390-K394 WeakPolarHBondContact O-CG 3.37Å; C390-K394 PolarHBondContact O-N 3.28Å; C390-K394 VanDerWaalsContact O-N 3.1Å
391S46.7Very low55.9Low48 Ų48108 Ų10834%0.33655%0.55SS..Hα-helixtrans-67.9-45.5178.4-58.40000110.8I387 S393 K394 F395I387-S391 WeakPolarHBondContact O-CB 3.5Å; I387-S391 PolarHBondContact O-N 2.95Å; I387-S391 PolarHBondContact O-OG 3.27Å; S391-S393 VanDerWaalsContact C-N 3.33Å; S391-S393 PolarHBondContact O-N 3.1Å; S391-K394 PolarHBondContact O-N 3.29Å; S391-F395 VanDerWaalsContact O-CD2 3.22Å; S391-F395 WeakPolarHBondContact O-CD2 3.02Å; S391-F395 PolarHBondContact O-N 3.4Å
392S62Low57.2Low49 Ų49103.8 Ų103.834%0.34354%0.535SS..Hα-helixtrans-56.9-42.9173.71750000112.5D388 F395 R396D388-S392 WeakPolarHBondContact O-CB 3.27Å; D388-S392 PolarHBondContact O-N 3.39Å; S392-F395 PolarHBondContact O-N 2.98Å; S392-R396 VanDerWaalsContact O-CB 3.28Å; S392-R396 WeakPolarHBondContact O-CB 3.2Å; S392-R396 PolarHBondContact O-N 3.21Å; S392-R396 PolarHBondContact OG-NH2 3.11Å
393S57.8Low58.6Low63 Ų63100.8 Ų100.844%0.44152%0.52SS..Hα-helixtrans-62.5-45.7176.9-173.10000111.7E389 C390 S391 R396 Q397E389-S393 VanDerWaalsContact O-CB 3.24Å; E389-S393 WeakPolarHBondContact O-CB 3.36Å; E389-S393 PolarHBondContact O-N 3.23Å; C390-S393 PolarHBondContact O-N 3.2Å; S391-S393 VanDerWaalsContact C-N 3.33Å; S391-S393 PolarHBondContact O-N 3.1Å; S393-R396 PolarHBondContact O-N 3.38Å; S393-Q397 WeakPolarHBondContact O-CB 3.48Å; S393-Q397 PolarHBondContact O-N 3.48Å
394K71.2Confident59.9Low131 Ų131102.8 Ų102.857%0.5752%0.521SS*.Hα-helixtrans-62.6-43.7174.6-71.5174.9-176169.90112C390 S391 Q397 L398C390-K394 WeakPolarHBondContact O-CG 3.37Å; C390-K394 PolarHBondContact O-N 3.28Å; C390-K394 VanDerWaalsContact O-N 3.1Å; S391-K394 PolarHBondContact O-N 3.29Å; K394-Q397 PolarHBondContact O-N 3.14Å; K394-L398 VanDerWaalsContact O-CB 3.28Å; K394-L398 WeakPolarHBondContact O-CB 3.32Å; K394-L398 PolarHBondContact O-N 3.28Å
395F70.1Confident61.2Low134 Ų13499.8 Ų99.859%0.58851%0.513SS*.Hα-helixtrans-62.4-43.3175.7-88-74.5000112.2S391 S392 Q397 L398 N399S391-F395 VanDerWaalsContact O-CD2 3.22Å; S391-F395 WeakPolarHBondContact O-CD2 3.02Å; S391-F395 PolarHBondContact O-N 3.4Å; S392-F395 PolarHBondContact O-N 2.98Å; F395-Q397 VanDerWaalsContact C-N 3.33Å; F395-Q397 PolarHBondContact O-N 3.28Å; F395-L398 PolarHBondContact O-N 2.72Å; F395-N399 VanDerWaalsContact O-CB 3.3Å; F395-N399 WeakPolarHBondContact O-CB 3.1Å; F395-N399 PolarHBondContact O-N 3.08Å
396R69.7Low62.4Low161 Ų16195.7 Ų95.761%0.60849%0.493SS*.Hα-helixtrans-63.7-40.9176.9-165.1-176.4-69108-3.4111S392 S393 S400S392-R396 VanDerWaalsContact O-CB 3.28Å; S392-R396 WeakPolarHBondContact O-CB 3.2Å; S392-R396 PolarHBondContact O-N 3.21Å; S392-R396 PolarHBondContact OG-NH2 3.11Å; S393-R396 PolarHBondContact O-N 3.38Å; R396-S400 WeakPolarHBondContact O-CB 3.48Å; R396-S400 PolarHBondContact O-N 3.29Å
397Q75.5Confident63.1Low125 Ų12591.9 Ų91.958%0.58447%0.472SS*.Hα-helixtrans-65.2-44.3174.2-172.2174.228.900111.9S393 K394 F395 S400 M401S393-Q397 WeakPolarHBondContact O-CB 3.48Å; S393-Q397 PolarHBondContact O-N 3.48Å; K394-Q397 PolarHBondContact O-N 3.14Å; F395-Q397 VanDerWaalsContact C-N 3.33Å; F395-Q397 PolarHBondContact O-N 3.28Å; Q397-S400 WeakPolarHBondContact O-CB 3.39Å; Q397-S400 PolarHBondContact O-N 2.73Å; Q397-M401 WeakPolarHBondContact O-CG 3.4Å; Q397-M401 PolarHBondContact O-N 3.46Å
398L69.1Low63.7Low117 Ų11790.2 Ų90.261%0.61346%0.463SS*.Hα-helixtrans-65.1-41179-150.1158.2000111.1K394 F395 M401 Y402K394-L398 VanDerWaalsContact O-CB 3.28Å; K394-L398 WeakPolarHBondContact O-CB 3.32Å; K394-L398 PolarHBondContact O-N 3.28Å; F395-L398 PolarHBondContact O-N 2.72Å; L398-M401 PolarHBondContact O-N 3.48Å; L398-Y402 WeakPolarHBondContact O-CB 3.38Å; L398-Y402 PolarHBondContact O-N 3.06Å
399N68.7Low64.7Low96 Ų9688.7 Ų88.751%0.51346%0.455SS..Hα-helixtrans-65-39.9173.4-164.656.1000111.7F395 Y402 N403F395-N399 VanDerWaalsContact O-CB 3.3Å; F395-N399 WeakPolarHBondContact O-CB 3.1Å; F395-N399 PolarHBondContact O-N 3.08Å; N399-Y402 PolarHBondContact O-N 2.9Å; N399-N403 VanDerWaalsContact O-CG 3.24Å; N399-N403 PolarHBondContact O-N 3.16Å; N399-N403 PolarHBondContact O-ND2 3.38Å; N399-N403 VanDerWaalsContact O-ND2 3.08Å
400S67.7Low65.2Low76 Ų7683.2 Ų83.253%0.53143%0.431SS..Hα-helixtrans-61-46.7173.5-170.80000111.8R396 Q397 Y402 N403 E404R396-S400 WeakPolarHBondContact O-CB 3.48Å; R396-S400 PolarHBondContact O-N 3.29Å; Q397-S400 WeakPolarHBondContact O-CB 3.39Å; Q397-S400 PolarHBondContact O-N 2.73Å; S400-Y402 VanDerWaalsContact C-N 3.35Å; S400-N403 PolarHBondContact O-N 2.79Å; S400-E404 WeakPolarHBondContact O-CB 3.48Å; S400-E404 PolarHBondContact O-N 3.11Å
401M72.2Confident65.2Low67 Ų6783.2 Ų83.233%0.3343%0.426SS..Hα-helixtrans-64.3-39176.3-72-175.86600112P214 Q397 L398 E404 V405P214-M401 HydrophobicContact CB-CE 3.97Å; P214-M401 HydrophobicContact CG-CE 3.63Å; P214-M401 HydrophobicContact CG-SD 4.26Å; Q397-M401 WeakPolarHBondContact O-CG 3.4Å; Q397-M401 PolarHBondContact O-N 3.46Å; L398-M401 PolarHBondContact O-N 3.48Å; M401-E404 PolarHBondContact O-N 3Å; M401-V405 WeakPolarHBondContact O-CG2 3.42Å; M401-V405 PolarHBondContact O-N 3.15Å
402Y68Low66.2Low110 Ų11085.8 Ų85.843%0.43144%0.435SS..Hα-helixtrans-63.2-45.7177.1-178.9-89.6000111.5L398 N399 S400 E404 V405 V406L398-Y402 WeakPolarHBondContact O-CB 3.38Å; L398-Y402 PolarHBondContact O-N 3.06Å; N399-Y402 PolarHBondContact O-N 2.9Å; S400-Y402 VanDerWaalsContact C-N 3.35Å; Y402-E404 VanDerWaalsContact C-N 3.32Å; Y402-E404 PolarHBondContact O-N 3.39Å; Y402-V405 PolarHBondContact O-N 3.02Å; Y402-V406 HydrophobicContact CD1-CG2 4.01Å; Y402-V406 HydrophobicContact CE1-CG2 3.54Å; Y402-V406 WeakPolarHBondContact O-CG2 3.39Å; Y402-V406 PolarHBondContact O-N 2.87Å
403N66.5Low66.3Low73 Ų7385.3 Ų85.339%0.3943%0.43SS..Hα-helixtrans-60.7-43.4176.2-68.5-32.8000111.1N399 S400 V405 V406 D407N399-N403 VanDerWaalsContact O-CG 3.24Å; N399-N403 PolarHBondContact O-N 3.16Å; N399-N403 PolarHBondContact O-ND2 3.38Å; N399-N403 VanDerWaalsContact O-ND2 3.08Å; S400-N403 PolarHBondContact O-N 2.79Å; N403-V405 PolarHBondContact O-N 3.5Å; N403-V406 PolarHBondContact O-N 3.4Å; N403-D407 PolarHBondContact O-N 2.62Å
404E69.9Low66.2Low85 Ų8584.3 Ų84.340%0.39743%0.426SS..Hα-helixtrans-60.8-41.8176.2-174.2174-140.700112.5F208 S400 M401 Y402 D407 M408F208-E404 HydrophobicContact CZ-CG 4.32Å; F208-E404 VanDerWaalsContact CZ-OE1 3.31Å; F208-E404 WeakPolarHBondContact CZ-OE1 3.4Å; S400-E404 WeakPolarHBondContact O-CB 3.48Å; S400-E404 PolarHBondContact O-N 3.11Å; M401-E404 PolarHBondContact O-N 3Å; Y402-E404 VanDerWaalsContact C-N 3.32Å; Y402-E404 PolarHBondContact O-N 3.39Å; E404-D407 PolarHBondContact O-N 2.96Å; E404-M408 HydrophobicContact CG-CE 4.39Å; E404-M408 WeakPolarHBondContact O-CB 3.45Å; E404-M408 WeakPolarHBondContact O-CG 3.17Å; E404-M408 PolarHBondContact O-N 3.06Å
405V66.7Low65.7Low83 Ų8379.3 Ų79.350%0.50340%0.404SS..Hα-helixtrans-64.8-41174.6170.70000111.8M401 Y402 N403 M408 N409M401-V405 WeakPolarHBondContact O-CG2 3.42Å; M401-V405 PolarHBondContact O-N 3.15Å; Y402-V405 PolarHBondContact O-N 3.02Å; N403-V405 PolarHBondContact O-N 3.5Å; V405-M408 HydrophobicContact CB-CE 4.4Å; V405-M408 HydrophobicContact CG2-CE 3.96Å; V405-N409 WeakPolarHBondContact O-CB 3.44Å; V405-N409 PolarHBondContact O-N 2.95Å
406V67.9Low65.3Low40 Ų4076.5 Ų76.524%0.24240%0.395CS..Hα-helixtrans-63.1-44.4175.71700000110.7Y402 N403 N409 S410Y402-V406 HydrophobicContact CD1-CG2 4.01Å; Y402-V406 HydrophobicContact CE1-CG2 3.54Å; Y402-V406 WeakPolarHBondContact O-CG2 3.39Å; Y402-V406 PolarHBondContact O-N 2.87Å; N403-V406 PolarHBondContact O-N 3.4Å; V406-N409 PolarHBondContact O-N 2.86Å; V406-S410 PolarHBondContact O-N 3.38Å; V406-S410 PolarHBondContact O-OG 3.35Å
407D57.7Low65.1Low36 Ų3673.4 Ų73.419%0.19339%0.388CS..Hα-helixtrans-63.2-44.2178.8-66.9-31.6000111.8S8 N403 E404 N409 S410 M411S8-D407 WeakPolarHBondContact CB-OD1 3.04Å; S8-D407 PolarHBondContact OG-OD1 3.49Å; N403-D407 PolarHBondContact O-N 2.62Å; E404-D407 PolarHBondContact O-N 2.96Å; D407-N409 VanDerWaalsContact C-N 3.32Å; D407-N409 PolarHBondContact O-N 2.91Å; D407-S410 PolarHBondContact O-N 3.06Å; D407-M411 PolarHBondContact O-N 3.17Å
408M59.3Low64.4Low78 Ų7870.7 Ų70.738%0.38437%0.373SS..Hα-helixtrans-60.3-42.5174.1-75.3-171.2-65.700111.8F208 E404 V405 M411 L412F208-M408 HydrophobicContact CD2-SD 4.38Å; F208-M408 HydrophobicContact CE2-SD 3.98Å; F208-M408 HydrophobicContact CZ-SD 4.1Å; E404-M408 HydrophobicContact CG-CE 4.39Å; E404-M408 WeakPolarHBondContact O-CB 3.45Å; E404-M408 WeakPolarHBondContact O-CG 3.17Å; E404-M408 PolarHBondContact O-N 3.06Å; V405-M408 HydrophobicContact CB-CE 4.4Å; V405-M408 HydrophobicContact CG2-CE 3.96Å; M408-M411 PolarHBondContact O-N 3.2Å; M408-L412 WeakPolarHBondContact O-CB 3.45Å; M408-L412 PolarHBondContact O-N 3.24Å
409N68.9Low64.5Low95 Ų9569.8 Ų69.851%0.50837%0.365SS..Hα-helixtrans-66.6-42.1178.4-164.414.5000111.2V405 V406 D407 M411 L412 V413V405-N409 WeakPolarHBondContact O-CB 3.44Å; V405-N409 PolarHBondContact O-N 2.95Å; V406-N409 PolarHBondContact O-N 2.86Å; D407-N409 VanDerWaalsContact C-N 3.32Å; D407-N409 PolarHBondContact O-N 2.91Å; N409-M411 VanDerWaalsContact C-N 3.3Å; N409-M411 PolarHBondContact O-N 2.9Å; N409-L412 PolarHBondContact O-N 2.98Å; N409-V413 WeakPolarHBondContact O-CG2 3.16Å; N409-V413 PolarHBondContact O-N 2.93Å
410S61.7Low64.7Low19 Ų1968.9 Ų68.913%0.13336%0.36CS..Hα-helixtrans-59.5-41174.3-71.40000111.8L83 L85 V406 D407 A414L83-S410 PolarHBondContact O-OG 3.47Å; L83-S410 VanDerWaalsContact O-OG 3.04Å; L85-S410 WeakPolarHBondContact CD1-O 3.46Å; V406-S410 PolarHBondContact O-N 3.38Å; V406-S410 PolarHBondContact O-OG 3.35Å; D407-S410 PolarHBondContact O-N 3.06Å; S410-A414 WeakPolarHBondContact O-CB 3.46Å; S410-A414 PolarHBondContact O-N 3.11Å
411M52.5Low64.6Low61 Ų6168 Ų6830%0.335%0.354SS..Hα-helixtrans-64.7-46.6174.2-173.2-164-60.100112.1S204 D407 M408 N409 V413 A414 Q415S204-M411 VanDerWaalsContact C-SD 3.51Å; S204-M411 VanDerWaalsContact O-CE 3.27Å; S204-M411 WeakPolarHBondContact O-CE 3.16Å; D407-M411 PolarHBondContact O-N 3.17Å; M408-M411 PolarHBondContact O-N 3.2Å; N409-M411 VanDerWaalsContact C-N 3.3Å; N409-M411 PolarHBondContact O-N 2.9Å; M411-V413 VanDerWaalsContact C-N 3.29Å; M411-V413 PolarHBondContact O-N 3.28Å; M411-A414 PolarHBondContact O-N 3.15Å; M411-Q415 WeakPolarHBondContact O-CB 3.23Å; M411-Q415 PolarHBondContact O-N 2.97Å
412L66.6Low64.2Low102 Ų10267.8 Ų67.853%0.53436%0.357SS..Hα-helixtrans-59.3-42.4179-178.562.7000111M408 N409 Q415 I416M408-L412 WeakPolarHBondContact O-CB 3.45Å; M408-L412 PolarHBondContact O-N 3.24Å; N409-L412 PolarHBondContact O-N 2.98Å; L412-Q415 PolarHBondContact O-N 3.45Å; L412-I416 HydrophobicContact CD1-CD1 4.39Å; L412-I416 HydrophobicContact CG-CD1 4.08Å; L412-I416 VanDerWaalsContact O-CG1 3.27Å; L412-I416 WeakPolarHBondContact O-CG1 3.2Å; L412-I416 PolarHBondContact O-N 3.01Å
413V64.6Low64.2Low39 Ų3966.3 Ų66.324%0.23636%0.356CS..Hα-helixtrans-67-45176.9175.50000111.5L85 N409 M411 Q415 I416 M417L85-V413 HydrophobicContact CD1-CB 4.08Å; L85-V413 HydrophobicContact CD1-CG1 4Å; L85-V413 HydrophobicContact CD2-CB 4.31Å; L85-V413 HydrophobicContact CD2-CG1 3.69Å; L85-V413 HydrophobicContact CG-CG1 4.43Å; N409-V413 WeakPolarHBondContact O-CG2 3.16Å; N409-V413 PolarHBondContact O-N 2.93Å; M411-V413 VanDerWaalsContact C-N 3.29Å; M411-V413 PolarHBondContact O-N 3.28Å; V413-Q415 VanDerWaalsContact C-N 3.26Å; V413-Q415 PolarHBondContact O-N 3.31Å; V413-I416 PolarHBondContact O-N 3.42Å; V413-M417 HydrophobicContact CG1-CG 4.47Å; V413-M417 WeakPolarHBondContact O-CG 3.2Å; V413-M417 PolarHBondContact O-N 3.48Å
414A56.9Low64.2Low42 Ų4270.9 Ų70.935%0.34737%0.367SS..Hα-helixtrans-58.6-40.6176.200000111.6L85 S410 M411 M417 R418L85-A414 HydrophobicContact CD1-CB 4.41Å; S410-A414 WeakPolarHBondContact O-CB 3.46Å; S410-A414 PolarHBondContact O-N 3.11Å; M411-A414 PolarHBondContact O-N 3.15Å; A414-M417 PolarHBondContact O-N 2.82Å; A414-R418 PolarHBondContact O-N 2.84Å
415Q59.1Low64.5Low27 Ų2771.2 Ų71.213%0.12637%0.371CS..Hα-helixtrans-67.8-43.6176.7-179.466.5-15.500112.3D202 M411 L412 V413 M417 R418 Q419D202-Q415 PolarHBondContact OD1-NE2 3.36Å; M411-Q415 WeakPolarHBondContact O-CB 3.23Å; M411-Q415 PolarHBondContact O-N 2.97Å; L412-Q415 PolarHBondContact O-N 3.45Å; V413-Q415 VanDerWaalsContact C-N 3.26Å; V413-Q415 PolarHBondContact O-N 3.31Å; Q415-M417 VanDerWaalsContact C-N 3.27Å; Q415-M417 PolarHBondContact O-N 3.21Å; Q415-R418 PolarHBondContact O-N 3.47Å; Q415-Q419 HydrophobicContact CG-CG 4.47Å; Q415-Q419 WeakPolarHBondContact O-CB 3.48Å; Q415-Q419 WeakPolarHBondContact O-CG 3.43Å; Q415-Q419 PolarHBondContact O-N 3.3Å
416I62.3Low64.6Low74 Ų7472 Ų7238%0.37937%0.372SS..Hα-helixtrans-57.7-43.9173.8-73.5166.4000110.2L412 V413 R418 Q419 N420L412-I416 HydrophobicContact CD1-CD1 4.39Å; L412-I416 HydrophobicContact CG-CD1 4.08Å; L412-I416 VanDerWaalsContact O-CG1 3.27Å; L412-I416 WeakPolarHBondContact O-CG1 3.2Å; L412-I416 PolarHBondContact O-N 3.01Å; V413-I416 PolarHBondContact O-N 3.42Å; I416-R418 VanDerWaalsContact C-N 3.33Å; I416-R418 PolarHBondContact O-N 3.03Å; I416-Q419 PolarHBondContact O-N 3.01Å; I416-N420 WeakPolarHBondContact CG2-ND2 3.37Å; I416-N420 VanDerWaalsContact O-CB 3.26Å; I416-N420 WeakPolarHBondContact O-CB 3.48Å; I416-N420 PolarHBondContact O-N 3.2Å; I416-N420 PolarHBondContact O-ND2 2.98Å
417M64.8Low64.8Low96 Ų9675.3 Ų75.347%0.47339%0.385SS..Hα-helixtrans-63.8-38.8178.3-69.8-61.9177.500112.1V413 A414 Q415 N420 S421V413-M417 HydrophobicContact CG1-CG 4.47Å; V413-M417 WeakPolarHBondContact O-CG 3.2Å; V413-M417 PolarHBondContact O-N 3.48Å; A414-M417 PolarHBondContact O-N 2.82Å; Q415-M417 VanDerWaalsContact C-N 3.27Å; Q415-M417 PolarHBondContact O-N 3.21Å; M417-N420 PolarHBondContact O-N 2.89Å; M417-S421 PolarHBondContact O-N 3.32Å
418R61.3Low65.4Low68 Ų6877.5 Ų77.526%0.25739%0.394SS..Hα-helixtrans-67.2-47174.8-172.6179-166.4-161.326.2112.5F196 D201 A414 Q415 I416 N420 S421 T422F196-R418 PolarHBondContact O-NH2 3.34Å; D201-R418 IonicContact OD1-NH1 2.63Å; D201-R418 IonicContact OD2-CZ 2.73Å; D201-R418 IonicContact OD2-NH1 3.85Å; D201-R418 PolarHBondContact OD2-NH1 3.38Å; D201-R418 IonicContact OD2-NH2 2.63Å; D201-R418 PolarHBondContact OD2-NH2 2.86Å; A414-R418 PolarHBondContact O-N 2.84Å; Q415-R418 PolarHBondContact O-N 3.47Å; I416-R418 VanDerWaalsContact C-N 3.33Å; I416-R418 PolarHBondContact O-N 3.03Å; R418-N420 PolarHBondContact O-N 3.36Å; R418-S421 PolarHBondContact O-N 3.05Å; R418-S421 VanDerWaalsContact O-N 3.1Å; R418-S421 PolarHBondContact O-OG 3.22Å; R418-T422 PolarHBondContact O-N 3.39Å; R418-T422 PolarHBondContact O-OG1 3.07Å; R418-T422 VanDerWaalsContact O-OG1 3.12Å
419Q71.3Confident65.8Low98 Ų9878.2 Ų78.246%0.45840%0.396SS..Hα-helixtrans-61-39.2176.4-71.3-177.8-9.300110.7Q415 I416 S421 T422 I423Q415-Q419 HydrophobicContact CG-CG 4.47Å; Q415-Q419 WeakPolarHBondContact O-CB 3.48Å; Q415-Q419 WeakPolarHBondContact O-CG 3.43Å; Q415-Q419 PolarHBondContact O-N 3.3Å; I416-Q419 PolarHBondContact O-N 3.01Å; Q419-S421 PolarHBondContact O-N 3.16Å; Q419-T422 PolarHBondContact O-N 3.29Å; Q419-I423 WeakPolarHBondContact O-CB 3.32Å; Q419-I423 WeakPolarHBondContact O-CG1 3.49Å; Q419-I423 PolarHBondContact O-N 2.87Å
420N72.5Confident65.6Low77 Ų7778.8 Ų78.841%0.41240%0.399SS..Hα-helixtrans-63.5-37.4173.8-74.8-25.8000112.7I416 M417 R418 I423 R424I416-N420 WeakPolarHBondContact CG2-ND2 3.37Å; I416-N420 VanDerWaalsContact O-CB 3.26Å; I416-N420 WeakPolarHBondContact O-CB 3.48Å; I416-N420 PolarHBondContact O-N 3.2Å; I416-N420 PolarHBondContact O-ND2 2.98Å; M417-N420 PolarHBondContact O-N 2.89Å; R418-N420 PolarHBondContact O-N 3.36Å; N420-I423 PolarHBondContact O-N 2.89Å; N420-R424 WeakPolarHBondContact O-CB 3.21Å; N420-R424 WeakPolarHBondContact O-CG 3.5Å; N420-R424 PolarHBondContact O-N 3.49Å
421S66.5Low65.7Low57 Ų5784.3 Ų84.340%0.39942%0.422SS..Hα-helixtrans-68.9-40.3175.276.80000111.8M417 R418 Q419 R424 L425M417-S421 PolarHBondContact O-N 3.32Å; R418-S421 PolarHBondContact O-N 3.05Å; R418-S421 VanDerWaalsContact O-N 3.1Å; R418-S421 PolarHBondContact O-OG 3.22Å; Q419-S421 PolarHBondContact O-N 3.16Å; S421-R424 WeakPolarHBondContact O-CB 3.35Å; S421-R424 PolarHBondContact O-N 2.9Å; S421-L425 WeakPolarHBondContact O-CG 3.31Å; S421-L425 PolarHBondContact O-N 3.3Å
422T63.7Low66Low64 Ų6487.5 Ų87.539%0.39344%0.435SS..Hα-helixtrans-60.6-46.5172-50.90000111.4R418 Q419 R424 L425 L426R418-T422 PolarHBondContact O-N 3.39Å; R418-T422 PolarHBondContact O-OG1 3.07Å; R418-T422 VanDerWaalsContact O-OG1 3.12Å; Q419-T422 PolarHBondContact O-N 3.29Å; T422-R424 VanDerWaalsContact C-N 3.29Å; T422-R424 PolarHBondContact O-N 3.23Å; T422-L425 PolarHBondContact O-N 3.49Å; T422-L426 HydrophobicContact CG2-CD1 4.1Å; T422-L426 HydrophobicContact CG2-CG 4.42Å; T422-L426 WeakPolarHBondContact O-CB 3.45Å; T422-L426 VanDerWaalsContact O-CG 3.32Å; T422-L426 WeakPolarHBondContact O-CG 3.47Å; T422-L426 PolarHBondContact O-N 3.47Å
423I67.6Low65.4Low79 Ų7985.6 Ų85.641%0.40543%0.43SS..Hα-helixtrans-58.5-43.2176.5-71164.4000110.3Q419 N420 L426 H427Q419-I423 WeakPolarHBondContact O-CB 3.32Å; Q419-I423 WeakPolarHBondContact O-CG1 3.49Å; Q419-I423 PolarHBondContact O-N 2.87Å; N420-I423 PolarHBondContact O-N 2.89Å; I423-L426 PolarHBondContact O-N 2.79Å; I423-H427 WeakPolarHBondContact O-CB 3.26Å; I423-H427 PolarHBondContact O-CD2 3.49Å; I423-H427 VanDerWaalsContact O-CG 3.23Å; I423-H427 PolarHBondContact O-N 3.23Å
424R67.7Low64.9Low169 Ų16990.5 Ų90.564%0.63846%0.455SS*.Hα-helixtrans-61.4-46.6175.6-78.1-177.361.5173.7-1.5112.7N420 S421 T422 L426 H427 E428N420-R424 WeakPolarHBondContact O-CB 3.21Å; N420-R424 WeakPolarHBondContact O-CG 3.5Å; N420-R424 PolarHBondContact O-N 3.49Å; S421-R424 WeakPolarHBondContact O-CB 3.35Å; S421-R424 PolarHBondContact O-N 2.9Å; T422-R424 VanDerWaalsContact C-N 3.29Å; T422-R424 PolarHBondContact O-N 3.23Å; R424-L426 VanDerWaalsContact C-N 3.34Å; R424-L426 PolarHBondContact O-N 3.07Å; R424-H427 WeakPolarHBondContact O-CB 3.15Å; R424-H427 PolarHBondContact O-N 3.48Å; R424-E428 WeakPolarHBondContact O-CG 3.36Å; R424-E428 PolarHBondContact O-N 3.24Å
425L74.8Confident64.6Low91 Ų9194.3 Ų94.348%0.47647%0.474SS..Hα-helixtrans-62.9-41.3177.3-69.6174.4000111.7S421 T422 H427 E428 E429S421-L425 WeakPolarHBondContact O-CG 3.31Å; S421-L425 PolarHBondContact O-N 3.3Å; T422-L425 PolarHBondContact O-N 3.49Å; L425-H427 VanDerWaalsContact C-N 3.33Å; L425-E428 PolarHBondContact O-N 2.96Å; L425-E429 WeakPolarHBondContact O-CB 3.25Å; L425-E429 PolarHBondContact O-N 2.9Å
426L70.3Confident63.5Low100 Ų100103.2 Ų103.252%0.52451%0.506SS..Hα-helixtrans-63.8-39.3174.1-71172.8000111.5T422 I423 R424 E429 L430T422-L426 HydrophobicContact CG2-CD1 4.1Å; T422-L426 HydrophobicContact CG2-CG 4.42Å; T422-L426 WeakPolarHBondContact O-CB 3.45Å; T422-L426 VanDerWaalsContact O-CG 3.32Å; T422-L426 WeakPolarHBondContact O-CG 3.47Å; T422-L426 PolarHBondContact O-N 3.47Å; I423-L426 PolarHBondContact O-N 2.79Å; R424-L426 VanDerWaalsContact C-N 3.34Å; R424-L426 PolarHBondContact O-N 3.07Å; L426-E429 PolarHBondContact O-N 3.24Å; L426-L430 WeakPolarHBondContact O-CB 3.38Å; L426-L430 VanDerWaalsContact O-CG 3.27Å; L426-L430 WeakPolarHBondContact O-CG 3.37Å; L426-L430 PolarHBondContact O-N 2.72Å
427H72Confident62.4Low110 Ų110105.6 Ų105.651%0.50953%0.526SS..Hα-helixtrans-63.2-43.1173.6-74.2-178.3000111.9I423 R424 L425 E429 L430 Q431I423-H427 WeakPolarHBondContact O-CB 3.26Å; I423-H427 PolarHBondContact O-CD2 3.49Å; I423-H427 VanDerWaalsContact O-CG 3.23Å; I423-H427 PolarHBondContact O-N 3.23Å; R424-H427 WeakPolarHBondContact O-CB 3.15Å; R424-H427 PolarHBondContact O-N 3.48Å; L425-H427 VanDerWaalsContact C-N 3.33Å; H427-E429 VanDerWaalsContact C-N 3.32Å; H427-E429 PolarHBondContact O-N 3.45Å; H427-L430 PolarHBondContact O-N 3.27Å; H427-Q431 WeakPolarHBondContact O-CB 3.49Å; H427-Q431 VanDerWaalsContact O-CG 3.3Å; H427-Q431 WeakPolarHBondContact O-CG 3.3Å; H427-Q431 PolarHBondContact O-N 3.41Å
428E69.5Low61.1Low82 Ų82105.5 Ų105.538%0.38354%0.541SS..Hα-helixtrans-62-40.1175-72.8171-163.700111.5R424 L425 Q431 K432R424-E428 WeakPolarHBondContact O-CG 3.36Å; R424-E428 PolarHBondContact O-N 3.24Å; L425-E428 PolarHBondContact O-N 2.96Å; E428-Q431 WeakPolarHBondContact O-CB 3.47Å; E428-Q431 PolarHBondContact O-N 3.39Å; E428-K432 WeakPolarHBondContact O-CG 2.93Å; E428-K432 PolarHBondContact O-N 3.36Å
429E68.2Low59.9Low92 Ų92111.3 Ų111.343%0.4357%0.571SS.*Hα-helixtrans-71.7-38.2178.7-160.556.5-144.200112.7L425 L426 H427 Q431 K432 S433L425-E429 WeakPolarHBondContact O-CB 3.25Å; L425-E429 PolarHBondContact O-N 2.9Å; L426-E429 PolarHBondContact O-N 3.24Å; H427-E429 VanDerWaalsContact C-N 3.32Å; H427-E429 PolarHBondContact O-N 3.45Å; E429-Q431 VanDerWaalsContact C-N 3.31Å; E429-K432 PolarHBondContact O-N 3.39Å; E429-K432 IonicContact OE2-NZ 3.47Å; E429-K432 PolarHBondContact OE2-NZ 2.9Å; E429-S433 WeakPolarHBondContact O-CB 3.3Å; E429-S433 PolarHBondContact O-N 2.96Å; E429-S433 PolarHBondContact O-OG 3.33Å
430L64.5Low58Low108 Ų108112.5 Ų112.557%0.56559%0.588SS**Hα-helixtrans-64.8-35.5171-73.2176.1000111.6L426 H427 S433 N434L426-L430 WeakPolarHBondContact O-CB 3.38Å; L426-L430 VanDerWaalsContact O-CG 3.27Å; L426-L430 WeakPolarHBondContact O-CG 3.37Å; L426-L430 PolarHBondContact O-N 2.72Å; H427-L430 PolarHBondContact O-N 3.27Å; L430-S433 PolarHBondContact O-N 3.35Å; L430-N434 WeakPolarHBondContact O-CB 3.35Å; L430-N434 PolarHBondContact O-N 3.17Å
431Q63.5Low56.4Low134 Ų134115 Ų11563%0.62660%0.601SS**Hα-helixtrans-65.3-43.4173.9-78.6179.53.800112.2H427 E428 E429 S433 N434H427-Q431 WeakPolarHBondContact O-CB 3.49Å; H427-Q431 VanDerWaalsContact O-CG 3.3Å; H427-Q431 WeakPolarHBondContact O-CG 3.3Å; H427-Q431 PolarHBondContact O-N 3.41Å; E428-Q431 WeakPolarHBondContact O-CB 3.47Å; E428-Q431 PolarHBondContact O-N 3.39Å; E429-Q431 VanDerWaalsContact C-N 3.31Å; Q431-S433 VanDerWaalsContact C-N 3.34Å; Q431-N434 PolarHBondContact O-N 2.97Å
432K58.7Low54.8Low128 Ų128117.2 Ų117.256%0.55761%0.614SS**Hα-helixtrans-63.2-41.4173.7-67.4172.9-159.9159.50111.6E428 E429 N434 V435E428-K432 WeakPolarHBondContact O-CG 2.93Å; E428-K432 PolarHBondContact O-N 3.36Å; E429-K432 PolarHBondContact O-N 3.39Å; E429-K432 IonicContact OE2-NZ 3.47Å; E429-K432 PolarHBondContact OE2-NZ 2.9Å; K432-N434 VanDerWaalsContact C-N 3.34Å; K432-N434 PolarHBondContact O-N 3.01Å; K432-V435 PolarHBondContact O-N 3.41Å
433S53.1Low53.5Low63 Ų63122.1 Ų122.144%0.44164%0.638SS.*Hα-helixtrans-68.1-32-179.3-65.30000112.8E429 L430 Q431 V435 R436E429-S433 WeakPolarHBondContact O-CB 3.3Å; E429-S433 PolarHBondContact O-N 2.96Å; E429-S433 PolarHBondContact O-OG 3.33Å; L430-S433 PolarHBondContact O-N 3.35Å; Q431-S433 VanDerWaalsContact C-N 3.34Å; S433-V435 PolarHBondContact O-N 3.06Å; S433-R436 PolarHBondContact O-N 3.45Å
434N54.4Low52.1Low142 Ų142122 Ų12276%0.75964%0.641SS**THydrogen-bonded Turntrans-64.2-7.9174.3-82.7-20.8000114.1L430 Q431 K432L430-N434 WeakPolarHBondContact O-CB 3.35Å; L430-N434 PolarHBondContact O-N 3.17Å; Q431-N434 PolarHBondContact O-N 2.97Å; K432-N434 VanDerWaalsContact C-N 3.34Å; K432-N434 PolarHBondContact O-N 3.01Å
435V50.2Low50.9Low122 Ų122120.7 Ų120.774%0.73965%0.651SS**THydrogen-bonded Turntrans-87-5.4171.3-172.80000112.1K432 S433K432-V435 PolarHBondContact O-N 3.41Å; S433-V435 PolarHBondContact O-N 3.06Å
436R36.2Very low49.4Very low214 Ų214117.8 Ų117.881%0.80864%0.636SS**SBendtrans-112.7117.3173.3-73.1-174.3179.8173.11.2111.1S433 A438S433-R436 PolarHBondContact O-N 3.45Å; R436-A438 PolarHBondContact O-N 3.34Å; R436-A438 VanDerWaalsContact O-N 3.1Å
437P39Very low47.8Very low124 Ų124123.1 Ų123.181%0.80566%0.655SS**  trans-60.3115.9173.2-17.529.2000110.7Q439P437-Q439 PolarHBondContact O-N 3.38Å
438A38.3Very low46.1Very low93 Ų93120.4 Ų120.477%0.76965%0.648SS**SBendtrans26.987.315300000117.8R436R436-A438 PolarHBondContact O-N 3.34Å; R436-A438 VanDerWaalsContact O-N 3.1Å
439Q36.3Very low44.4Very low190 Ų190122.3 Ų122.389%0.88866%0.661SS**  trans-127.75.2158.6-85.2-172.2-1.800115.4P437P437-Q439 PolarHBondContact O-N 3.38Å
440C31.9Very low42.9Very low123 Ų123122.5 Ų122.583%0.83167%0.67SS**  trans-131.970.8-178.4-57.40000111.6
441L37.8Very low41.6Very low129 Ų129123.6 Ų123.668%0.67568%0.676SS**  trans-83.9124149.4-96.7103.8000107.1N443L441-N443 PolarHBondContact O-N 3.27Å
442P34.1Very low40.1Very low105 Ų105121.9 Ų121.968%0.68268%0.678SS**  trans-57.2128.7164.8-12.425.8000106.9T444P442-T444 PolarHBondContact O-N 3.41Å
443N34.8Very low39Very low167 Ų167122.9 Ų122.989%0.89369%0.687SS**  trans-55.588172.5-72.5-29.3000109L441 V445L441-N443 PolarHBondContact O-N 3.27Å; N443-V445 PolarHBondContact O-N 3.17Å
444T38.1Very low38Very low77 Ų77128.2 Ų128.247%0.47271%0.705SS.*  trans-62.4133.5168.845.50000107P442 L446P442-T444 PolarHBondContact O-N 3.41Å; T444-L446 PolarHBondContact O-N 3.17Å
445V43.6Very low37Very low140 Ų140124.9 Ų124.985%0.84869%0.693SS**SBendtrans-54.6-7.9-161.8175.90000115.5N443N443-V445 PolarHBondContact O-N 3.17Å
446L43.8Very low36.2Very low30 Ų30125.4 Ų125.416%0.15770%0.702CS.*SBendtrans-94.4102.9175-67.4167.9000109.5T444 C448 Q520 L521 Y554T444-L446 PolarHBondContact O-N 3.17Å; L446-C448 VanDerWaalsContact C-N 3.3Å; L446-C448 PolarHBondContact O-N 3.24Å; L446-Q520 HydrophobicContact CD2-CB 4.09Å; L446-Q520 HydrophobicContact CD2-CG 4.49Å; L446-Q520 VanDerWaalsContact CD2-OE1 3.31Å; L446-L521 HydrophobicContact CD1-CD2 3.61Å; L446-L521 HydrophobicContact CD1-CG 4.32Å; L446-Y554 HydrophobicContact CB-CD2 4.4Å; L446-Y554 HydrophobicContact CB-CE2 4.28Å; L446-Y554 HydrophobicContact CD1-CD2 3.6Å; L446-Y554 HydrophobicContact CD1-CE2 3.82Å; L446-Y554 HydrophobicContact CD1-CG 4.4Å
447K35.8Very low36.2Very low213 Ų213120 Ų12093%0.92669%0.693SS**  trans-53.994.1166.3-86.8-179.5174.2177.30108.9
448C36.3Very low36.2Very low53 Ų53119.4 Ų119.436%0.35869%0.692SS.*  trans-65136.6165.4-69.60000108.1L446L446-C448 VanDerWaalsContact C-N 3.3Å; L446-C448 PolarHBondContact O-N 3.24Å
449N34.1Very low36.4Very low121 Ų121119.1 Ų119.165%0.64768%0.68SS**  trans-60.5126.7179.5-153.120.1000108.7L451N449-L451 PolarHBondContact O-N 3.46Å
450P36.6Very low36.6Very low96 Ų96120.7 Ų120.762%0.62368%0.678SS**G310 helixtrans-67.6-0.9-171.223.1-32000115.1C452 I453P450-C452 PolarHBondContact O-N 2.85Å; P450-C452 VanDerWaalsContact O-N 3.16Å; P450-I453 PolarHBondContact O-N 3.37Å
451L36.3Very low37.6Very low132 Ų132119.4 Ų119.469%0.69167%0.671SS**G310 helixtrans-67.1-9.6178.8-74.5168.8000114.4N449N449-L451 PolarHBondContact O-N 3.46Å
452C33.4Very low38.7Very low98 Ų98115.5 Ų115.566%0.66265%0.654SS**G310 helixtrans-84.7-5.7177.1-162.10000114.3P450P450-C452 PolarHBondContact O-N 2.85Å; P450-C452 VanDerWaalsContact O-N 3.16Å
453I34.6Very low40.4Very low148 Ų148116 Ų11676%0.75966%0.655SS**SBendtrans-90.6-3.5-172.5-57.7175.1000112.9P450P450-I453 PolarHBondContact O-N 3.37Å
454Q33.1Very low42.6Very low175 Ų175109 Ų10982%0.81862%0.619SS**  trans-90.32.7-171-76.5-170.5-22.500117.1
455S32.1Very low44.9Very low72 Ų72110.5 Ų110.550%0.50362%0.623SS.*  trans-102.2108.6172.4620000110.9T457S455-T457 WeakPolarHBondContact CB-OG1 3.4Å; S455-T457 PolarHBondContact O-N 3.33Å
456S33.7Very low47.1Very low133 Ų133104.1 Ų104.193%0.9358%0.584SS**  trans-61.717170.752.20000114.6S458S456-S458 PolarHBondContact O-N 3.25Å
457T36.5Very low49.2Very low100 Ų100109.2 Ų109.261%0.61360%0.602SS**SBendtrans-74.1124.9170.7-4.60000107.8S455 V459S455-T457 WeakPolarHBondContact CB-OG1 3.4Å; S455-T457 PolarHBondContact O-N 3.33Å; T457-V459 PolarHBondContact O-N 3.35Å
458S38.8Very low51.9Low113 Ų11399 Ų9979%0.7956%0.557SS**  trans-61.274168.7-175.30000109.5S456 R460S456-S458 PolarHBondContact O-N 3.25Å; S458-R460 PolarHBondContact O-N 2.92Å
459V42Very low54.1Low86 Ų8697.8 Ų97.852%0.52155%0.549SS..  trans-72.4101.7172.9-176.40000104.6T457 S461T457-V459 PolarHBondContact O-N 3.35Å; V459-S461 VanDerWaalsContact C-N 3.25Å; V459-S461 PolarHBondContact O-N 3.11Å
460R42.2Very low56.6Low223 Ų22395 Ų9584%0.84254%0.536SS*.  trans-57.794.6169.9-72.3-177.1-92.2150.3-7.8107S458 S462S458-R460 PolarHBondContact O-N 2.92Å; R460-S462 PolarHBondContact O-N 3.15Å
461S51.4Low59Low96 Ų9691.8 Ų91.867%0.67152%0.518SS*.  trans-58.2111.4171.530.50000106.9V459 V463V459-S461 VanDerWaalsContact C-N 3.25Å; V459-S461 PolarHBondContact O-N 3.11Å; S461-V463 PolarHBondContact O-N 3.4Å; S461-V463 VanDerWaalsContact O-N 3.08Å
462S60.7Low61.4Low47 Ų4789.6 Ų89.633%0.32950%0.503SS..  trans-67112.3178-67.90000107.2R460 V464R460-S462 PolarHBondContact O-N 3.15Å; S462-V464 PolarHBondContact O-N 3.41Å
463V70.6Confident64Low116 Ų11688.9 Ų88.970%0.70349%0.492SS*.  trans-65.9120.4176.9-178.80000108S461 G491S461-V463 PolarHBondContact O-N 3.4Å; S461-V463 VanDerWaalsContact O-N 3.08Å; V463-G491 PolarHBondContact O-N 2.95Å
464V81.4Confident66.4Low21 Ų2184.5 Ų84.513%0.12747%0.472CS..EExtended strand (participates in β ladder)trans-105.6115.8176.5-173.60000108.5S462 V466 I488 R489 I490 L552 V556 L567S462-V464 PolarHBondContact O-N 3.41Å; V464-V466 HydrophobicContact CG1-CG2 4Å; V464-I488 HydrophobicContact CG1-CG2 4.32Å; V464-R489 WeakPolarHBondContact CA-O 3.33Å; V464-I490 HydrophobicContact CG1-CG1 4.22Å; V464-L552 HydrophobicContact CG1-CD1 4.13Å; V464-V556 HydrophobicContact CG2-CG2 4.31Å; V464-L567 HydrophobicContact CG2-CD2 3.28Å
465L85.2Confident68.8Low108 Ų10877.8 Ų77.857%0.56545%0.45SS*.EExtended strand (participates in β ladder)trans-100132.1173.2-178.369.1000109I488 R489L465-I488 CarbonylContact O-C 3.58Å; L465-I488 WeakPolarHBondContact O-CA 3.45Å; L465-R489 HydrophobicContact CB-CB 4.24Å; L465-R489 PolarHBondContact N-O 2.93Å; L465-R489 PolarHBondContact O-N 3.4Å
466V89.9Confident71.1Confident6 Ų683.4 Ų83.44%0.03647%0.465CS..EExtended strand (participates in β ladder)trans-133.6132.7179.3-175.50000108.6V464 V486 F487 I488 L548 R549 L552V464-V466 HydrophobicContact CG1-CG2 4Å; V466-V486 HydrophobicContact CG1-CG1 4.47Å; V466-F487 WeakPolarHBondContact CA-O 3.49Å; V466-I488 HydrophobicContact CG1-CG1 4.32Å; V466-I488 HydrophobicContact CG2-CG1 4.46Å; V466-L548 HydrophobicContact CG1-CB 4.3Å; V466-L548 HydrophobicContact CG1-CD2 3.62Å; V466-L548 HydrophobicContact CG1-CG 3.89Å; V466-R549 HydrophobicContact CB-CG 3.75Å; V466-R549 HydrophobicContact CG1-CG 4.33Å; V466-R549 HydrophobicContact CG2-CG 4.36Å; V466-L552 HydrophobicContact CG2-CD1 3.53Å
467W88.9Confident73.3Confident136 Ų13679.8 Ų79.852%0.51545%0.448SS..EExtended strand (participates in β ladder)trans-146.3139.9178.6174.451.2000110.8P469 F487W467-P469 HydrophobicContact CD2-CB 4.09Å; W467-P469 HydrophobicContact CD2-CG 3.96Å; W467-P469 HydrophobicContact CE3-CB 4.2Å; W467-P469 HydrophobicContact CE3-CG 3.76Å; W467-P469 HydrophobicContact CH2-CB 3.5Å; W467-P469 VanDerWaalsContact CH2-CB 3.5Å; W467-P469 HydrophobicContact CH2-CG 3.83Å; W467-P469 HydrophobicContact CZ2-CB 3.34Å; W467-P469 HydrophobicContact CZ2-CG 4.01Å; W467-P469 HydrophobicContact CZ3-CB 3.91Å; W467-P469 HydrophobicContact CZ3-CG 3.68Å; W467-P469 WeakPolarHBondContact O-CD 3.35Å; W467-F487 HydrophobicContact CE3-CB 4.31Å; W467-F487 AromaticContact CE3-CD2 3.9Å; W467-F487 HydrophobicContact CE3-CD2 3.9Å; W467-F487 HydrophobicContact CE3-CG 4.23Å; W467-F487 HydrophobicContact CZ3-CD2 4.2Å; W467-F487 HydrophobicContact CZ3-CE2 4.38Å; W467-F487 PolarHBondContact N-O 3.49Å; W467-F487 PolarHBondContact O-N 2.86Å
468I91.4Very high75.2Confident0 Ų080.1 Ų80.10%046%0.462CS..  trans-120.182.3177.3-53.1-174.2000108.3T470 Y484 Q485 V486 F504 R541 L544 E545I468-T470 PolarHBondContact O-N 3.42Å; I468-Y484 HydrophobicContact CG2-CD1 4.28Å; I468-Q485 WeakPolarHBondContact CA-O 3.5Å; I468-Q485 WeakPolarHBondContact CG2-O 3.34Å; I468-V486 HydrophobicContact CD1-CG2 4.12Å; I468-V486 HydrophobicContact CG1-CB 4.45Å; I468-V486 HydrophobicContact CG1-CG1 4.16Å; I468-V486 HydrophobicContact CG1-CG2 4.16Å; I468-F504 HydrophobicContact CD1-CE1 4.22Å; I468-F504 HydrophobicContact CD1-CZ 4.1Å; I468-R541 HydrophobicContact CB-CG 4.13Å; I468-R541 HydrophobicContact CG2-CG 3.56Å; I468-R541 WeakPolarHBondContact O-CD 3.23Å; I468-R541 WeakPolarHBondContact O-CG 3.06Å; I468-R541 PolarHBondContact O-NE 3.38Å; I468-R541 PolarHBondContact O-NH1 3.44Å; I468-L544 HydrophobicContact CD1-CB 4.06Å; I468-E545 HydrophobicContact CB-CB 4.16Å; I468-E545 HydrophobicContact CB-CG 4.45Å; I468-E545 HydrophobicContact CD1-CB 3.93Å; I468-E545 HydrophobicContact CG1-CB 3.9Å; I468-E545 HydrophobicContact CG1-CG 4.15Å; I468-E545 PolarHBondContact N-OE2 3.23Å
469P84.2Confident77.3Confident27 Ų2779.5 Ų79.518%0.17545%0.449CS..  trans-59.4-45.8-172.17.2-19000114.3W467 Q485 F487W467-P469 HydrophobicContact CD2-CB 4.09Å; W467-P469 HydrophobicContact CD2-CG 3.96Å; W467-P469 HydrophobicContact CE3-CB 4.2Å; W467-P469 HydrophobicContact CE3-CG 3.76Å; W467-P469 HydrophobicContact CH2-CB 3.5Å; W467-P469 VanDerWaalsContact CH2-CB 3.5Å; W467-P469 HydrophobicContact CH2-CG 3.83Å; W467-P469 HydrophobicContact CZ2-CB 3.34Å; W467-P469 HydrophobicContact CZ2-CG 4.01Å; W467-P469 HydrophobicContact CZ3-CB 3.91Å; W467-P469 HydrophobicContact CZ3-CG 3.68Å; W467-P469 WeakPolarHBondContact O-CD 3.35Å; P469-Q485 WeakPolarHBondContact CD-O 3.45Å; P469-F487 VanDerWaalsContact CD-CD2 3.47Å; P469-F487 HydrophobicContact CG-CD2 3.43Å; P469-F487 VanDerWaalsContact CG-CD2 3.43Å; P469-F487 HydrophobicContact CG-CE2 3.31Å
470T85.1Confident79.1Confident62 Ų6279 Ų7938%0.3844%0.443SS..  trans-138.9156.6-166.664.20000111.4I468 Q485I468-T470 PolarHBondContact O-N 3.42Å; T470-Q485 PolarHBondContact O-N 2.78Å; T470-Q485 VanDerWaalsContact O-N 3.16Å; T470-Q485 PolarHBondContact OG1-OE1 3.27Å
471A87.1Confident81.2Confident29 Ų2970.2 Ų70.224%0.2441%0.411CS..EExtended strand (participates in β ladder)trans-128.9130.8165.200000107.5V483 Y484 V537A471-V483 VanDerWaalsContact CA-O 3.3Å; A471-V483 WeakPolarHBondContact CA-O 3.47Å; A471-Y484 HydrophobicContact CB-CD1 3.56Å; A471-Y484 HydrophobicContact CB-CE1 3.58Å; A471-Y484 HydrophobicContact CB-CG 4.47Å; A471-V537 HydrophobicContact CB-CG1 3.5Å; A471-V537 VanDerWaalsContact CB-CG1 3.5Å
472F88.1Confident82.9Confident85 Ų8567.3 Ų67.337%0.37339%0.386SS..EExtended strand (participates in β ladder)trans-126.5151179.152.3-93000110.5H482 V483 Q485 Y498F472-H482 WeakPolarHBondContact O-CA 3.34Å; F472-V483 HydrophobicContact CD2-CB 4.44Å; F472-V483 HydrophobicContact CE2-CB 3.98Å; F472-V483 HydrophobicContact CE2-CG1 4.1Å; F472-V483 HydrophobicContact CZ-CB 4.22Å; F472-V483 HydrophobicContact CZ-CG1 3.88Å; F472-V483 PolarHBondContact N-O 3.16Å; F472-V483 PolarHBondContact O-N 3.2Å; F472-Q485 HydrophobicContact CE1-CB 4.35Å; F472-Y498 HydrophobicContact CE1-CD1 4.09Å; F472-Y498 AromaticContact CE1-CE1 3.97Å; F472-Y498 HydrophobicContact CE1-CE1 3.97Å; F472-Y498 AromaticContact CZ-CD1 3.68Å; F472-Y498 HydrophobicContact CZ-CD1 3.68Å; F472-Y498 AromaticContact CZ-CE1 3.81Å; F472-Y498 HydrophobicContact CZ-CE1 3.81Å
473L86.4Confident84.4Confident83 Ų8365.8 Ų65.844%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-83.5121177.9-17062.2000108.4M480L473-M480 HydrophobicContact CD1-CB 4.28Å; L473-M480 HydrophobicContact CD2-CE 3.35Å; L473-M480 HydrophobicContact CG-CE 3.74Å
474T86.1Confident85.5Confident56 Ų5660.4 Ų60.434%0.34434%0.342SS..EExtended strand (participates in β ladder)trans-118.4171.4175.3-165.40000110.5M480 H481 V483T474-M480 CarbonylContact O-C 3.54Å; T474-M480 VanDerWaalsContact O-CA 3.25Å; T474-M480 WeakPolarHBondContact O-CA 3.27Å; T474-H481 WeakPolarHBondContact CG2-NE2 3.5Å; T474-H481 PolarHBondContact N-O 3.45Å; T474-H481 PolarHBondContact O-N 3.37Å; T474-V483 HydrophobicContact CG2-CB 4.32Å; T474-V483 HydrophobicContact CG2-CG2 3.43Å; T474-V483 VanDerWaalsContact CG2-CG2 3.43Å
475G83.3Confident86.1Confident34 Ų3461.2 Ų61.235%0.35135%0.345SS..SBendtrans91.6177.7179.500000113.9
476K81.3Confident86.5Confident191 Ų19156.1 Ų56.183%0.8332%0.318SS*.SBendtrans-128.4136.3180-67.4179.7-178.4174.50110.4A478 D479K476-A478 PolarHBondContact O-N 3.26Å; K476-D479 PolarHBondContact O-N 3.39Å
477G79Confident86.6Confident56 Ų5659 Ų5958%0.57733%0.33SS*.G310 helixtrans58.5-117.6174.400000113.5D479 M480G477-D479 VanDerWaalsContact C-N 3.33Å; G477-D479 PolarHBondContact O-N 2.86Å; G477-M480 VanDerWaalsContact O-CG 3.27Å; G477-M480 WeakPolarHBondContact O-CG 3.47Å
478A77.2Confident86.7Confident108 Ų10852.7 Ų52.789%0.89331%0.307SS*.G310 helixtrans-71.3-24.7-177.900000113.7K476 M480K476-A478 PolarHBondContact O-N 3.26Å; A478-M480 PolarHBondContact O-N 3.49Å
479D81.2Confident86.4Confident99 Ų9958.5 Ų58.553%0.52933%0.328SS..G310 helixtrans-88.918.4179.4-170.537.8000113.1K476 G477 H481K476-D479 PolarHBondContact O-N 3.39Å; G477-D479 VanDerWaalsContact C-N 3.33Å; G477-D479 PolarHBondContact O-N 2.86Å; D479-H481 PolarHBondContact O-N 2.69Å; D479-H481 PolarHBondContact O-ND1 3.11Å; D479-H481 IonicContact OD1-ND1 3.64Å
480M81.2Confident86.4Confident77 Ų7757.4 Ų57.438%0.37932%0.321SS..  trans-69.8120.7176.3-71.6-179.182.300111.5L473 T474 G477 A478L473-M480 HydrophobicContact CD1-CB 4.28Å; L473-M480 HydrophobicContact CD2-CE 3.35Å; L473-M480 HydrophobicContact CG-CE 3.74Å; T474-M480 CarbonylContact O-C 3.54Å; T474-M480 VanDerWaalsContact O-CA 3.25Å; T474-M480 WeakPolarHBondContact O-CA 3.27Å; G477-M480 VanDerWaalsContact O-CG 3.27Å; G477-M480 WeakPolarHBondContact O-CG 3.47Å; A478-M480 PolarHBondContact O-N 3.49Å
481H85.6Confident86Confident38 Ų3856.6 Ų56.618%0.17633%0.325CS..EExtended strand (participates in β ladder)trans-144.4156.7-178.261-89.8000112.7T474 D479T474-H481 WeakPolarHBondContact CG2-NE2 3.5Å; T474-H481 PolarHBondContact N-O 3.45Å; T474-H481 PolarHBondContact O-N 3.37Å; D479-H481 PolarHBondContact O-N 2.69Å; D479-H481 PolarHBondContact O-ND1 3.11Å; D479-H481 IonicContact OD1-ND1 3.64Å
482H88.3Confident85.5Confident34 Ų3466.7 Ų66.716%0.15736%0.357CS..EExtended strand (participates in β ladder)trans-84129.8177-66.791.9000110.6F472 V537F472-H482 WeakPolarHBondContact O-CA 3.34Å; H482-V537 HydrophobicContact CB-CG1 4.5Å; H482-V537 VanDerWaalsContact CE1-CG2 3.42Å; H482-V537 WeakPolarHBondContact CE1-CG2 3.27Å; H482-V537 VanDerWaalsContact NE2-CG2 3.34Å; H482-V537 WeakPolarHBondContact NE2-CG2 3.36Å
483V91.7Very high85.3Confident15 Ų1567.2 Ų67.29%0.09136%0.36CS..EExtended strand (participates in β ladder)trans-110.4135.1170.8171.40000108.5A471 F472 T474 Y498A471-V483 VanDerWaalsContact CA-O 3.3Å; A471-V483 WeakPolarHBondContact CA-O 3.47Å; F472-V483 HydrophobicContact CD2-CB 4.44Å; F472-V483 HydrophobicContact CE2-CB 3.98Å; F472-V483 HydrophobicContact CE2-CG1 4.1Å; F472-V483 HydrophobicContact CZ-CB 4.22Å; F472-V483 HydrophobicContact CZ-CG1 3.88Å; F472-V483 PolarHBondContact N-O 3.16Å; F472-V483 PolarHBondContact O-N 3.2Å; T474-V483 HydrophobicContact CG2-CB 4.32Å; T474-V483 HydrophobicContact CG2-CG2 3.43Å; T474-V483 VanDerWaalsContact CG2-CG2 3.43Å; V483-Y498 HydrophobicContact CG1-CD1 4.1Å; V483-Y498 HydrophobicContact CG1-CG 4.46Å
484Y92.9Very high85.3Confident3 Ų369.8 Ų69.81%0.01237%0.37CS..EExtended strand (participates in β ladder)trans-101.1129.2178-59.6-84.3000108.5I468 A471 Y498 K499 F504 R540 R541 L544I468-Y484 HydrophobicContact CG2-CD1 4.28Å; A471-Y484 HydrophobicContact CB-CD1 3.56Å; A471-Y484 HydrophobicContact CB-CE1 3.58Å; A471-Y484 HydrophobicContact CB-CG 4.47Å; Y484-Y498 WeakPolarHBondContact O-CA 3.18Å; Y484-K499 WeakPolarHBondContact CB-O 3.35Å; Y484-K499 WeakPolarHBondContact CD2-O 2.95Å; Y484-K499 PolarHBondContact N-O 3.5Å; Y484-K499 PolarHBondContact O-N 2.76Å; Y484-F504 HydrophobicContact CD2-CE2 4.14Å; Y484-F504 HydrophobicContact CG-CE2 4.47Å; Y484-R540 WeakPolarHBondContact OH-CD 3.38Å; Y484-R541 HydrophobicContact CD1-CB 4.13Å; Y484-R541 HydrophobicContact CD1-CG 4.09Å; Y484-R541 HydrophobicContact CE1-CB 3.93Å; Y484-R541 HydrophobicContact CE1-CG 4.4Å; Y484-L544 HydrophobicContact CD1-CD1 4.25Å; Y484-L544 HydrophobicContact CD2-CD1 3.87Å; Y484-L544 HydrophobicContact CE1-CD1 4.04Å; Y484-L544 HydrophobicContact CE2-CD1 3.65Å; Y484-L544 HydrophobicContact CG-CD1 4.18Å
485Q94.4Very high85.5Confident39 Ų3967.9 Ų67.918%0.18236%0.357CS..EExtended strand (participates in β ladder)trans-85.8116.4171.1-172.51792000108.1I468 P469 T470 F472 F487 T496 Y498I468-Q485 WeakPolarHBondContact CA-O 3.5Å; I468-Q485 WeakPolarHBondContact CG2-O 3.34Å; P469-Q485 WeakPolarHBondContact CD-O 3.45Å; T470-Q485 PolarHBondContact O-N 2.78Å; T470-Q485 VanDerWaalsContact O-N 3.16Å; T470-Q485 PolarHBondContact OG1-OE1 3.27Å; F472-Q485 HydrophobicContact CE1-CB 4.35Å; Q485-F487 HydrophobicContact CG-CD2 4.16Å; Q485-F487 HydrophobicContact CG-CE2 3.51Å; Q485-F487 HydrophobicContact CG-CZ 4.09Å; Q485-T496 HydrophobicContact CG-CG2 3.56Å; Q485-Y498 HydrophobicContact CB-CD1 4.31Å; Q485-Y498 HydrophobicContact CB-CE1 4.01Å; Q485-Y498 HydrophobicContact CG-CD1 4.34Å; Q485-Y498 HydrophobicContact CG-CE1 3.69Å; Q485-Y498 PolarHBondContact NE2-OH 3.22Å
486V93.7Very high85.9Confident0 Ų067.7 Ų67.70%035%0.349CS..EExtended strand (participates in β ladder)trans-114.5114.9-174-174.60000108.6V466 I468 I488 T496 L497 F504 L548V466-V486 HydrophobicContact CG1-CG1 4.47Å; I468-V486 HydrophobicContact CD1-CG2 4.12Å; I468-V486 HydrophobicContact CG1-CB 4.45Å; I468-V486 HydrophobicContact CG1-CG1 4.16Å; I468-V486 HydrophobicContact CG1-CG2 4.16Å; V486-I488 HydrophobicContact CG1-CD1 4.22Å; V486-I488 HydrophobicContact CG1-CG1 4.08Å; V486-T496 CarbonylContact O-C 3.55Å; V486-T496 VanDerWaalsContact O-CA 3.29Å; V486-T496 WeakPolarHBondContact O-CA 3.36Å; V486-L497 HydrophobicContact CB-CB 4.26Å; V486-L497 PolarHBondContact N-O 3.01Å; V486-L497 PolarHBondContact O-N 2.86Å; V486-F504 HydrophobicContact CG2-CZ 3.72Å; V486-L548 HydrophobicContact CG1-CD2 3.52Å
487F92.3Very high86.5Confident68 Ų6858.6 Ų58.630%0.29831%0.309SS..EExtended strand (participates in β ladder)trans-95.9130.2173.7-71.1-92.1000109.8V466 W467 P469 Q485 T496V466-F487 WeakPolarHBondContact CA-O 3.49Å; W467-F487 HydrophobicContact CE3-CB 4.31Å; W467-F487 AromaticContact CE3-CD2 3.9Å; W467-F487 HydrophobicContact CE3-CD2 3.9Å; W467-F487 HydrophobicContact CE3-CG 4.23Å; W467-F487 HydrophobicContact CZ3-CD2 4.2Å; W467-F487 HydrophobicContact CZ3-CE2 4.38Å; W467-F487 PolarHBondContact N-O 3.49Å; W467-F487 PolarHBondContact O-N 2.86Å; P469-F487 VanDerWaalsContact CD-CD2 3.47Å; P469-F487 HydrophobicContact CG-CD2 3.43Å; P469-F487 VanDerWaalsContact CG-CD2 3.43Å; P469-F487 HydrophobicContact CG-CE2 3.31Å; Q485-F487 HydrophobicContact CG-CD2 4.16Å; Q485-F487 HydrophobicContact CG-CE2 3.51Å; Q485-F487 HydrophobicContact CG-CZ 4.09Å; F487-T496 HydrophobicContact CD1-CG2 4.16Å; F487-T496 WeakPolarHBondContact CD1-OG1 3.38Å; F487-T496 HydrophobicContact CD2-CG2 4.39Å; F487-T496 HydrophobicContact CE1-CG2 3.94Å; F487-T496 WeakPolarHBondContact CE1-OG1 3.48Å; F487-T496 HydrophobicContact CE2-CG2 4.19Å; F487-T496 HydrophobicContact CG-CG2 4.4Å; F487-T496 HydrophobicContact CZ-CG2 3.97Å
488I89.5Confident87.3Confident3 Ų361 Ų612%0.01530%0.302CS..EExtended strand (participates in β ladder)trans-129.2129.6176.5-60.1172000108V464 L465 V466 V486 I490 E494 F495 L497 L548 F579V464-I488 HydrophobicContact CG1-CG2 4.32Å; L465-I488 CarbonylContact O-C 3.58Å; L465-I488 WeakPolarHBondContact O-CA 3.45Å; V466-I488 HydrophobicContact CG1-CG1 4.32Å; V466-I488 HydrophobicContact CG2-CG1 4.46Å; V486-I488 HydrophobicContact CG1-CD1 4.22Å; V486-I488 HydrophobicContact CG1-CG1 4.08Å; I488-I490 HydrophobicContact CG2-CD1 4.1Å; I488-I490 HydrophobicContact CG2-CG1 3.86Å; I488-E494 WeakPolarHBondContact O-CA 3.25Å; I488-F495 HydrophobicContact CB-CD2 4.4Å; I488-F495 HydrophobicContact CB-CE1 3.98Å; I488-F495 HydrophobicContact CB-CE2 3.87Å; I488-F495 HydrophobicContact CB-CZ 3.63Å; I488-F495 HydrophobicContact CD1-CE2 3.81Å; I488-F495 HydrophobicContact CD1-CZ 3.97Å; I488-F495 HydrophobicContact CG1-CE2 4.32Å; I488-F495 HydrophobicContact CG1-CZ 4.38Å; I488-F495 HydrophobicContact CG2-CE1 3.8Å; I488-F495 HydrophobicContact CG2-CE2 4.32Å; I488-F495 HydrophobicContact CG2-CZ 3.58Å; I488-F495 PolarHBondContact N-O 3.43Å; I488-F495 PolarHBondContact O-N 2.79Å; I488-L497 HydrophobicContact CD1-CD1 3.99Å; I488-L548 HydrophobicContact CD1-CD2 4.42Å; I488-F579 HydrophobicContact CD1-CD1 3.93Å; I488-F579 HydrophobicContact CD1-CE1 3.85Å
489R85.4Confident88.1Confident121 Ų12156.4 Ų56.446%0.45726%0.262SS..EExtended strand (participates in β ladder)trans-123.6125.9173177.5179.7-179.8140.2-8.9109.9V464 L465 G491 E493 E494V464-R489 WeakPolarHBondContact CA-O 3.33Å; L465-R489 HydrophobicContact CB-CB 4.24Å; L465-R489 PolarHBondContact N-O 2.93Å; L465-R489 PolarHBondContact O-N 3.4Å; R489-G491 PolarHBondContact NE-O 2.86Å; R489-E493 CarbonylContact C-O 3.51Å; R489-E493 VanDerWaalsContact CA-O 3.27Å; R489-E493 WeakPolarHBondContact CA-O 3.48Å; R489-E494 HydrophobicContact CB-CB 4.22Å; R489-E494 HydrophobicContact CG-CB 4.29Å; R489-E494 IonicContact NH1-OE2 3.72Å; R489-E494 PolarHBondContact NH1-OE2 2.8Å
490I83.7Confident88.7Confident5 Ų556 Ų563%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-124101.9-178-53.2171.1000107.3V464 I488 R492 E493 F495 L567 L572V464-I490 HydrophobicContact CG1-CG1 4.22Å; I488-I490 HydrophobicContact CG2-CD1 4.1Å; I488-I490 HydrophobicContact CG2-CG1 3.86Å; I490-R492 PolarHBondContact O-N 3.36Å; I490-E493 PolarHBondContact N-O 2.67Å; I490-E493 PolarHBondContact O-N 2.92Å; I490-F495 HydrophobicContact CD1-CE1 3.83Å; I490-F495 HydrophobicContact CD1-CZ 4.22Å; I490-F495 HydrophobicContact CG1-CE1 4.37Å; I490-L567 HydrophobicContact CD1-CD2 4.12Å; I490-L567 HydrophobicContact CD1-CG 4.14Å; I490-L567 HydrophobicContact CG1-CD2 4.35Å; I490-L567 HydrophobicContact CG2-CB 3.81Å; I490-L567 HydrophobicContact CG2-CD2 3.76Å; I490-L567 HydrophobicContact CG2-CG 3.86Å; I490-L567 WeakPolarHBondContact CG2-O 3.28Å; I490-L572 HydrophobicContact CD1-CD1 3.49Å; I490-L572 VanDerWaalsContact CD1-CD1 3.49Å
491G76.7Confident89.2Confident44 Ų4453.7 Ų53.745%0.45424%0.24SC..THydrogen-bonded Turntrans57.1-101.1-173.700000112.4V463 R489V463-G491 PolarHBondContact O-N 2.95Å; R489-G491 PolarHBondContact NE-O 2.86Å
492R77.2Confident89.4Confident242 Ų24258.2 Ų58.291%0.91326%0.256SS*.THydrogen-bonded Turntrans-103.9-11.7-179.6-62.3-175.9-177167.9-0.2114.2I490I490-R492 PolarHBondContact O-N 3.36Å
493E83.2Confident89.8Confident95 Ų9560.1 Ų60.144%0.44427%0.265SS..EExtended strand (participates in β ladder)trans-90.6135.6177.4-64.3-175.3168.300109.5R489 I490 S568 Q569R489-E493 CarbonylContact C-O 3.51Å; R489-E493 VanDerWaalsContact CA-O 3.27Å; R489-E493 WeakPolarHBondContact CA-O 3.48Å; I490-E493 PolarHBondContact N-O 2.67Å; I490-E493 PolarHBondContact O-N 2.92Å; E493-S568 WeakPolarHBondContact OE2-CB 3.3Å; E493-Q569 PolarHBondContact OE2-N 2.85Å
494E87.3Confident90Very high138 Ų13859.4 Ų59.465%0.64526%0.26SS*.EExtended strand (participates in β ladder)trans-132.2137.2171.962.5-174.7-157.700110I488 R489I488-E494 WeakPolarHBondContact O-CA 3.25Å; R489-E494 HydrophobicContact CB-CB 4.22Å; R489-E494 HydrophobicContact CG-CB 4.29Å; R489-E494 IonicContact NH1-OE2 3.72Å; R489-E494 PolarHBondContact NH1-OE2 2.8Å
495F90.7Very high89.9Confident15 Ų1562.9 Ų62.97%0.06627%0.274CS..EExtended strand (participates in β ladder)trans-148.8155.3-179.960.2-85.2000110.8I488 I490 L497 Q569 L572I488-F495 HydrophobicContact CB-CD2 4.4Å; I488-F495 HydrophobicContact CB-CE1 3.98Å; I488-F495 HydrophobicContact CB-CE2 3.87Å; I488-F495 HydrophobicContact CB-CZ 3.63Å; I488-F495 HydrophobicContact CD1-CE2 3.81Å; I488-F495 HydrophobicContact CD1-CZ 3.97Å; I488-F495 HydrophobicContact CG1-CE2 4.32Å; I488-F495 HydrophobicContact CG1-CZ 4.38Å; I488-F495 HydrophobicContact CG2-CE1 3.8Å; I488-F495 HydrophobicContact CG2-CE2 4.32Å; I488-F495 HydrophobicContact CG2-CZ 3.58Å; I488-F495 PolarHBondContact N-O 3.43Å; I488-F495 PolarHBondContact O-N 2.79Å; I490-F495 HydrophobicContact CD1-CE1 3.83Å; I490-F495 HydrophobicContact CD1-CZ 4.22Å; I490-F495 HydrophobicContact CG1-CE1 4.37Å; F495-L497 HydrophobicContact CD2-CD1 4.46Å; F495-L497 HydrophobicContact CD2-CD2 3.88Å; F495-L497 HydrophobicContact CD2-CG 3.96Å; F495-L497 HydrophobicContact CE2-CD1 3.99Å; F495-L497 HydrophobicContact CE2-CD2 4.12Å; F495-L497 HydrophobicContact CE2-CG 4Å; F495-Q569 HydrophobicContact CD1-CB 3.87Å; F495-Q569 HydrophobicContact CD1-CG 3.93Å; F495-Q569 HydrophobicContact CD2-CG 3.99Å; F495-Q569 HydrophobicContact CE1-CB 3.7Å; F495-Q569 HydrophobicContact CE1-CG 3.84Å; F495-Q569 HydrophobicContact CE2-CG 3.89Å; F495-Q569 HydrophobicContact CG-CB 4.43Å; F495-Q569 HydrophobicContact CG-CG 4.01Å; F495-Q569 HydrophobicContact CZ-CB 4.11Å; F495-Q569 HydrophobicContact CZ-CG 3.82Å; F495-L572 HydrophobicContact CZ-CD1 4.42Å
496T92.4Very high89.9Confident30 Ų3065.7 Ų65.718%0.18429%0.287CS..EExtended strand (participates in β ladder)trans-118.4130.9-179.7-520000109.9Q485 V486 F487 Y498Q485-T496 HydrophobicContact CG-CG2 3.56Å; V486-T496 CarbonylContact O-C 3.55Å; V486-T496 VanDerWaalsContact O-CA 3.29Å; V486-T496 WeakPolarHBondContact O-CA 3.36Å; F487-T496 HydrophobicContact CD1-CG2 4.16Å; F487-T496 WeakPolarHBondContact CD1-OG1 3.38Å; F487-T496 HydrophobicContact CD2-CG2 4.39Å; F487-T496 HydrophobicContact CE1-CG2 3.94Å; F487-T496 WeakPolarHBondContact CE1-OG1 3.48Å; F487-T496 HydrophobicContact CE2-CG2 4.19Å; F487-T496 HydrophobicContact CG-CG2 4.4Å; F487-T496 HydrophobicContact CZ-CG2 3.97Å; T496-Y498 HydrophobicContact CG2-CE2 4.14Å
497L93.9Very high89.9Confident0 Ų065.8 Ų65.80%029%0.287CS..EExtended strand (participates in β ladder)trans-112.5145.7175.6-53.1174.5000110.2V486 I488 F495 K499 F578 F579V486-L497 HydrophobicContact CB-CB 4.26Å; V486-L497 PolarHBondContact N-O 3.01Å; V486-L497 PolarHBondContact O-N 2.86Å; I488-L497 HydrophobicContact CD1-CD1 3.99Å; F495-L497 HydrophobicContact CD2-CD1 4.46Å; F495-L497 HydrophobicContact CD2-CD2 3.88Å; F495-L497 HydrophobicContact CD2-CG 3.96Å; F495-L497 HydrophobicContact CE2-CD1 3.99Å; F495-L497 HydrophobicContact CE2-CD2 4.12Å; F495-L497 HydrophobicContact CE2-CG 4Å; L497-K499 HydrophobicContact CB-CG 4.16Å; L497-F578 HydrophobicContact CD1-CE1 4.35Å; L497-F579 HydrophobicContact CD1-CD1 4Å
498Y94.4Very high89.9Confident108 Ų10864.7 Ų64.742%0.42428%0.281SS..EExtended strand (participates in β ladder)trans-113.4107.3172.8-66.5-83.3000109F472 V483 Y484 Q485 T496F472-Y498 HydrophobicContact CE1-CD1 4.09Å; F472-Y498 AromaticContact CE1-CE1 3.97Å; F472-Y498 HydrophobicContact CE1-CE1 3.97Å; F472-Y498 AromaticContact CZ-CD1 3.68Å; F472-Y498 HydrophobicContact CZ-CD1 3.68Å; F472-Y498 AromaticContact CZ-CE1 3.81Å; F472-Y498 HydrophobicContact CZ-CE1 3.81Å; V483-Y498 HydrophobicContact CG1-CD1 4.1Å; V483-Y498 HydrophobicContact CG1-CG 4.46Å; Y484-Y498 WeakPolarHBondContact O-CA 3.18Å; Q485-Y498 HydrophobicContact CB-CD1 4.31Å; Q485-Y498 HydrophobicContact CB-CE1 4.01Å; Q485-Y498 HydrophobicContact CG-CD1 4.34Å; Q485-Y498 HydrophobicContact CG-CE1 3.69Å; Q485-Y498 PolarHBondContact NE2-OH 3.22Å; T496-Y498 HydrophobicContact CG2-CE2 4.14Å
499K94.5Very high90Very high11 Ų1166.9 Ų66.95%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-132.4143.3-173.2-58.3-65.3179.1-115.30111.6Y484 L497 Q503 F504 F578 E580 Q581Y484-K499 WeakPolarHBondContact CB-O 3.35Å; Y484-K499 WeakPolarHBondContact CD2-O 2.95Å; Y484-K499 PolarHBondContact N-O 3.5Å; Y484-K499 PolarHBondContact O-N 2.76Å; L497-K499 HydrophobicContact CB-CG 4.16Å; K499-Q503 VanDerWaalsContact CA-OE1 3.24Å; K499-Q503 HydrophobicContact CB-CB 4.43Å; K499-F504 HydrophobicContact CB-CD2 4.39Å; K499-F504 HydrophobicContact CB-CE2 3.82Å; K499-F504 HydrophobicContact CB-CZ 4.45Å; K499-F578 HydrophobicContact CB-CE2 3.89Å; K499-F578 HydrophobicContact CB-CZ 4.16Å; K499-F578 HydrophobicContact CD-CD2 4.47Å; K499-F578 HydrophobicContact CD-CE2 4.43Å; K499-F578 WeakPolarHBondContact CE-O 3.4Å; K499-F578 HydrophobicContact CG-CD2 4.32Å; K499-F578 HydrophobicContact CG-CE2 3.82Å; K499-F578 HydrophobicContact CG-CZ 3.95Å; K499-E580 WeakPolarHBondContact CE-O 3.13Å; K499-E580 PolarHBondContact NZ-O 2.58Å; K499-Q581 PolarHBondContact NZ-OXT 2.6Å
500R93Very high90.2Very high90 Ų9063.2 Ų63.234%0.3429%0.292SS..EExtended strand (participates in β ladder)trans-92.2158.3172.971.2-172.4-681792.6110.8R502 Q503 F504R500-R502 HydrophobicContact CG-CB 4.3Å; R500-R502 PolarHBondContact O-N 3.01Å; R500-Q503 HydrophobicContact CG-CG 4.03Å; R500-Q503 WeakPolarHBondContact O-CB 3.32Å; R500-Q503 PolarHBondContact O-N 3.16Å; R500-F504 WeakPolarHBondContact O-CD2 3.36Å
501Y92Very high90.4Very high28 Ų2863 Ų6311%0.1129%0.291CS..Hα-helixtrans-48.5-40.4179.8170.6-93.5000114.4Q503 F504 Y505 F523 P524 K526 R540 L544Y501-Q503 PolarHBondContact O-N 3.38Å; Y501-F504 PolarHBondContact O-N 3.12Å; Y501-F504 VanDerWaalsContact O-N 3.16Å; Y501-Y505 PolarHBondContact O-N 3.13Å; Y501-Y505 VanDerWaalsContact O-N 3.1Å; Y501-F523 AromaticContact CE2-CE1 3.75Å; Y501-F523 HydrophobicContact CE2-CE1 3.75Å; Y501-F523 HydrophobicContact CE2-CZ 4.05Å; Y501-F523 AromaticContact CZ-CE1 3.82Å; Y501-P524 HydrophobicContact CE2-CB 4.32Å; Y501-P524 HydrophobicContact CE2-CG 4.1Å; Y501-P524 VanDerWaalsContact CE2-O 3.27Å; Y501-P524 WeakPolarHBondContact CE2-O 3.4Å; Y501-P524 PolarHBondContact OH-O 3Å; Y501-K526 HydrophobicContact CE1-CG 3.75Å; Y501-K526 PolarHBondContact OH-N 3.4Å; Y501-R540 HydrophobicContact CD2-CG 4.4Å; Y501-L544 HydrophobicContact CD2-CD1 4.46Å; Y501-L544 HydrophobicContact CD2-CD2 4.27Å
502R91.3Very high91Very high133 Ų13361.6 Ų61.650%0.50228%0.275SS..Hα-helixtrans-59-34.7179.1-173.6177.1179.4170.8-1.6112R500 Y505 H506R500-R502 HydrophobicContact CG-CB 4.3Å; R500-R502 PolarHBondContact O-N 3.01Å; R502-Y505 WeakPolarHBondContact O-CB 3.3Å; R502-Y505 PolarHBondContact O-N 3.48Å; R502-H506 PolarHBondContact O-CD2 3.43Å; R502-H506 PolarHBondContact O-N 3.46Å
503Q95Very high91.6Very high74 Ų7454.2 Ų54.235%0.34627%0.266SS..Hα-helixtrans-71.3-36.6178.6-67.4168.3-61.800111.8K499 R500 Y501 Y505 H506 L507 F578K499-Q503 VanDerWaalsContact CA-OE1 3.24Å; K499-Q503 HydrophobicContact CB-CB 4.43Å; R500-Q503 HydrophobicContact CG-CG 4.03Å; R500-Q503 WeakPolarHBondContact O-CB 3.32Å; R500-Q503 PolarHBondContact O-N 3.16Å; Y501-Q503 PolarHBondContact O-N 3.38Å; Q503-Y505 VanDerWaalsContact C-N 3.31Å; Q503-Y505 PolarHBondContact O-N 3.18Å; Q503-H506 PolarHBondContact O-N 3.32Å; Q503-L507 PolarHBondContact O-N 2.91Å; Q503-F578 HydrophobicContact CB-CD2 4.14Å; Q503-F578 HydrophobicContact CB-CE2 4.25Å
504F95.6Very high91.7Very high0 Ų056.6 Ų56.60%027%0.271CS..Hα-helixtrans-64.1-37.9171.8-72.4-95.9000112.2I468 Y484 V486 K499 R500 Y501 L507 R508 F523 L544 L548 F578I468-F504 HydrophobicContact CD1-CE1 4.22Å; I468-F504 HydrophobicContact CD1-CZ 4.1Å; Y484-F504 HydrophobicContact CD2-CE2 4.14Å; Y484-F504 HydrophobicContact CG-CE2 4.47Å; V486-F504 HydrophobicContact CG2-CZ 3.72Å; K499-F504 HydrophobicContact CB-CD2 4.39Å; K499-F504 HydrophobicContact CB-CE2 3.82Å; K499-F504 HydrophobicContact CB-CZ 4.45Å; R500-F504 WeakPolarHBondContact O-CD2 3.36Å; Y501-F504 PolarHBondContact O-N 3.12Å; Y501-F504 VanDerWaalsContact O-N 3.16Å; F504-L507 WeakPolarHBondContact O-CB 3.27Å; F504-L507 PolarHBondContact O-N 3.13Å; F504-R508 PolarHBondContact O-N 3.1Å; F504-F523 HydrophobicContact CB-CE2 4.02Å; F504-F523 HydrophobicContact CB-CZ 3.98Å; F504-L544 HydrophobicContact CB-CD2 3.85Å; F504-L544 HydrophobicContact CD1-CB 4.43Å; F504-L544 HydrophobicContact CD1-CD2 3.94Å; F504-L544 HydrophobicContact CD2-CD1 4.08Å; F504-L544 HydrophobicContact CD2-CD2 4.33Å; F504-L544 HydrophobicContact CE1-CB 4.22Å; F504-L544 HydrophobicContact CE2-CD1 4.11Å; F504-L544 HydrophobicContact CG-CD1 4.36Å; F504-L544 HydrophobicContact CG-CD2 3.81Å; F504-L544 HydrophobicContact CZ-CB 4.49Å; F504-L544 HydrophobicContact CZ-CD1 4.4Å; F504-L548 HydrophobicContact CE1-CD2 4.26Å; F504-F578 HydrophobicContact CB-CE2 4.47Å; F504-F578 AromaticContact CD1-CE2 3.93Å; F504-F578 HydrophobicContact CD1-CE2 3.93Å; F504-F578 AromaticContact CD1-CZ 3.7Å; F504-F578 HydrophobicContact CD1-CZ 3.7Å; F504-F578 AromaticContact CD2-CE2 3.98Å; F504-F578 HydrophobicContact CD2-CE2 3.98Å; F504-F578 HydrophobicContact CD2-CZ 4.28Å; F504-F578 HydrophobicContact CE1-CE2 4.18Å; F504-F578 AromaticContact CE1-CZ 3.55Å; F504-F578 HydrophobicContact CE1-CZ 3.55Å; F504-F578 HydrophobicContact CE2-CE2 4.2Å; F504-F578 HydrophobicContact CE2-CZ 4.13Å; F504-F578 AromaticContact CG-CE2 3.85Å; F504-F578 HydrophobicContact CG-CE2 3.85Å; F504-F578 HydrophobicContact CG-CZ 4.08Å; F504-F578 HydrophobicContact CZ-CE2 4.31Å; F504-F578 AromaticContact CZ-CZ 3.79Å; F504-F578 HydrophobicContact CZ-CZ 3.79Å
505Y91.4Very high91.7Very high77 Ų7751.6 Ų51.630%0.30225%0.249SC..Hα-helixtrans-63.6-44.2175.7-179.1-93.6000111Y501 R502 Q503 R508 S509 F523Y501-Y505 PolarHBondContact O-N 3.13Å; Y501-Y505 VanDerWaalsContact O-N 3.1Å; R502-Y505 WeakPolarHBondContact O-CB 3.3Å; R502-Y505 PolarHBondContact O-N 3.48Å; Q503-Y505 VanDerWaalsContact C-N 3.31Å; Q503-Y505 PolarHBondContact O-N 3.18Å; Y505-R508 PolarHBondContact O-N 3.28Å; Y505-S509 PolarHBondContact O-N 3.18Å; Y505-S509 PolarHBondContact O-OG 2.96Å; Y505-F523 AromaticContact CD2-CE1 3.89Å; Y505-F523 HydrophobicContact CD2-CE1 3.89Å
506H94.1Very high91.6Very high98 Ų9855.1 Ų55.145%0.45427%0.273SS..Hα-helixtrans-62.5-40.7174.8-68.8-38.3000112.5R502 Q503 S509 A510R502-H506 PolarHBondContact O-CD2 3.43Å; R502-H506 PolarHBondContact O-N 3.46Å; Q503-H506 PolarHBondContact O-N 3.32Å; H506-S509 PolarHBondContact O-N 2.95Å; H506-A510 WeakPolarHBondContact O-CB 3.17Å; H506-A510 PolarHBondContact O-N 3.24Å
507L94.4Very high91.4Very high1 Ų155.5 Ų55.51%0.00528%0.277CS..Hα-helixtrans-56.5-51.1172.1172.566000111Q503 F504 S509 A510 M511 F547 L548 L551 T576 F578 F579Q503-L507 PolarHBondContact O-N 2.91Å; F504-L507 WeakPolarHBondContact O-CB 3.27Å; F504-L507 PolarHBondContact O-N 3.13Å; L507-S509 VanDerWaalsContact C-N 3.32Å; L507-S509 PolarHBondContact O-N 2.81Å; L507-A510 PolarHBondContact O-N 3.09Å; L507-M511 HydrophobicContact CD1-CG 3.95Å; L507-M511 VanDerWaalsContact O-CG 3.3Å; L507-M511 WeakPolarHBondContact O-CG 3.27Å; L507-M511 PolarHBondContact O-N 2.81Å; L507-F547 HydrophobicContact CD2-CE1 4.43Å; L507-L548 HydrophobicContact CD2-CD1 4.01Å; L507-L551 HydrophobicContact CD1-CD2 4.26Å; L507-L551 HydrophobicContact CD2-CD2 3.66Å; L507-L551 HydrophobicContact CG-CD2 3.8Å; L507-T576 HydrophobicContact CD1-CG2 3.5Å; L507-F578 HydrophobicContact CB-CB 4.22Å; L507-F578 HydrophobicContact CB-CD2 3.91Å; L507-F578 HydrophobicContact CB-CG 4.04Å; L507-F578 HydrophobicContact CD1-CB 3.99Å; L507-F578 HydrophobicContact CD1-CD1 4.45Å; L507-F578 HydrophobicContact CD1-CG 4.22Å; L507-F578 HydrophobicContact CD2-CB 4.46Å; L507-F578 HydrophobicContact CD2-CD1 3.64Å; L507-F578 HydrophobicContact CD2-CD2 4.06Å; L507-F578 HydrophobicContact CD2-CE1 3.81Å; L507-F578 HydrophobicContact CD2-CE2 4.21Å; L507-F578 HydrophobicContact CD2-CG 3.78Å; L507-F578 HydrophobicContact CD2-CZ 4.09Å; L507-F578 HydrophobicContact CG-CB 4.46Å; L507-F578 HydrophobicContact CG-CD1 4.49Å; L507-F578 HydrophobicContact CG-CD2 4.5Å; L507-F578 HydrophobicContact CG-CG 4.23Å; L507-F579 HydrophobicContact CD1-CE2 4.19Å
508R92.2Very high91.1Very high46 Ų4655.5 Ų55.517%0.17428%0.277CS..Hα-helixtrans-57-45.7177.5-177173.9172.7-96.65.8111.4F504 Y505 A512 I518 L519 F523 F547F504-R508 PolarHBondContact O-N 3.1Å; Y505-R508 PolarHBondContact O-N 3.28Å; R508-A512 WeakPolarHBondContact O-CB 3Å; R508-A512 PolarHBondContact O-N 2.91Å; R508-I518 HydrophobicContact CG-CG2 4.44Å; R508-L519 PolarHBondContact NH2-O 3.45Å; R508-F523 HydrophobicContact CB-CD2 4.42Å; R508-F523 HydrophobicContact CB-CE2 4.37Å; R508-F547 HydrophobicContact CB-CE1 4.46Å; R508-F547 HydrophobicContact CB-CE2 4.22Å; R508-F547 HydrophobicContact CB-CZ 3.64Å; R508-F547 HydrophobicContact CG-CE2 4.07Å; R508-F547 HydrophobicContact CG-CZ 4Å
509S90.8Very high90.8Very high49 Ų4954.7 Ų54.734%0.34328%0.279SS..Hα-helixtrans-64.7-44178.9-68.40000112.7Y505 H506 L507 M511 A512 A513Y505-S509 PolarHBondContact O-N 3.18Å; Y505-S509 PolarHBondContact O-OG 2.96Å; H506-S509 PolarHBondContact O-N 2.95Å; L507-S509 VanDerWaalsContact C-N 3.32Å; L507-S509 PolarHBondContact O-N 2.81Å; S509-M511 VanDerWaalsContact C-N 3.34Å; S509-M511 PolarHBondContact O-N 2.85Å; S509-A512 PolarHBondContact O-N 3.18Å; S509-A513 PolarHBondContact O-N 3.44Å; S509-A513 VanDerWaalsContact O-N 3.08Å
510A89.9Confident90.4Very high44 Ų4460.6 Ų60.636%0.36431%0.307SS..Hα-helixtrans-64.3-38.917900000112H506 L507H506-A510 WeakPolarHBondContact O-CB 3.17Å; H506-A510 PolarHBondContact O-N 3.24Å; L507-A510 PolarHBondContact O-N 3.09Å
511M88.7Confident90.1Very high1 Ų156.9 Ų56.91%0.00529%0.294CS..Hα-helixtrans-75.9-38.7177.3-60.8-62103.300111.8L507 S509 A513 R514 D515 I518 L551 M555 F559 T576L507-M511 HydrophobicContact CD1-CG 3.95Å; L507-M511 VanDerWaalsContact O-CG 3.3Å; L507-M511 WeakPolarHBondContact O-CG 3.27Å; L507-M511 PolarHBondContact O-N 2.81Å; S509-M511 VanDerWaalsContact C-N 3.34Å; S509-M511 PolarHBondContact O-N 2.85Å; M511-A513 PolarHBondContact O-N 3.35Å; M511-R514 WeakPolarHBondContact O-CB 3.36Å; M511-R514 PolarHBondContact O-N 2.8Å; M511-D515 PolarHBondContact O-N 3.23Å; M511-I518 HydrophobicContact CB-CD1 3.49Å; M511-I518 VanDerWaalsContact CB-CD1 3.49Å; M511-I518 HydrophobicContact CB-CG2 4.27Å; M511-L551 HydrophobicContact CB-CD1 4.25Å; M511-L551 HydrophobicContact CG-CD1 4.29Å; M511-L551 HydrophobicContact CG-CD2 4.42Å; M511-M555 HydrophobicContact SD-CE 4.03Å; M511-M555 HydrophobicContact SD-SD 4.15Å; M511-F559 HydrophobicContact SD-CE2 4.24Å; M511-T576 HydrophobicContact CE-CG2 4.14Å
512A89.2Confident89.7Confident13 Ų1359.1 Ų59.111%0.10731%0.312CS..Hα-helixtrans-61.8-26.617500000113.5R508 S509 R514 D515 L519R508-A512 WeakPolarHBondContact O-CB 3Å; R508-A512 PolarHBondContact O-N 2.91Å; S509-A512 PolarHBondContact O-N 3.18Å; A512-R514 VanDerWaalsContact C-N 3.27Å; A512-R514 PolarHBondContact O-N 2.94Å; A512-D515 WeakPolarHBondContact CA-O 3.35Å; A512-D515 CarbonylContact O-C 3.32Å; A512-D515 VanDerWaalsContact O-C 3.32Å; A512-L519 HydrophobicContact CB-CD2 3.67Å; A512-L519 HydrophobicContact CB-CG 3.82Å
513A89.2Confident89.6Confident88 Ų8854.7 Ų54.773%0.72730%0.296SS*.THydrogen-bonded Turntrans-67.7-27.2172.500000112.9S509 M511S509-A513 PolarHBondContact O-N 3.44Å; S509-A513 VanDerWaalsContact O-N 3.08Å; M511-A513 PolarHBondContact O-N 3.35Å
514R86.1Confident89.1Confident144 Ų14451.4 Ų51.454%0.54328%0.281SS..THydrogen-bonded Turntrans-84.2-45.1174.3-65.1179.3175.1-100.33.5111.2M511 A512 F559M511-R514 WeakPolarHBondContact O-CB 3.36Å; M511-R514 PolarHBondContact O-N 2.8Å; A512-R514 VanDerWaalsContact C-N 3.27Å; A512-R514 PolarHBondContact O-N 2.94Å; R514-F559 HydrophobicContact CB-CZ 4.46Å
515D86.5Confident88.3Confident33 Ų3353.9 Ų53.918%0.17631%0.307CS..  trans-138.9107.5178.8-170.4-18.4000111.1M511 A512 S517 I518 Y554 F559M511-D515 PolarHBondContact O-N 3.23Å; A512-D515 WeakPolarHBondContact CA-O 3.35Å; A512-D515 CarbonylContact O-C 3.32Å; A512-D515 VanDerWaalsContact O-C 3.32Å; D515-S517 PolarHBondContact O-N 3.12Å; D515-S517 WeakPolarHBondContact OD1-CB 3.44Å; D515-S517 PolarHBondContact OD1-N 2.9Å; D515-S517 PolarHBondContact OD1-OG 3.03Å; D515-I518 HydrophobicContact CB-CD1 4.31Å; D515-I518 HydrophobicContact CB-CG1 4.48Å; D515-I518 WeakPolarHBondContact O-CB 3.27Å; D515-I518 WeakPolarHBondContact O-CG1 3.48Å; D515-I518 PolarHBondContact O-N 3.22Å; D515-I518 VanDerWaalsContact O-N 3.16Å; D515-Y554 HydrophobicContact CB-CE1 4.47Å; D515-Y554 WeakPolarHBondContact OD2-CE1 3.45Å; D515-Y554 PolarHBondContact OD2-OH 2.99Å; D515-F559 HydrophobicContact CB-CE1 4.14Å; D515-F559 HydrophobicContact CB-CZ 4.5Å
516P89.1Confident87.5Confident90 Ų9057.2 Ų57.258%0.58432%0.323SS*.G310 helixtrans-57.8-19.3178.7-26.735.7000114.7I518 L519P516-I518 PolarHBondContact O-N 3.04Å; P516-I518 VanDerWaalsContact O-N 3.16Å; P516-L519 WeakPolarHBondContact O-CB 3.32Å; P516-L519 PolarHBondContact O-N 3.27Å
517S87.3Confident86.4Confident37 Ų3758.2 Ų58.226%0.25933%0.326SS..G310 helixtrans-59.3-26.5177.7-49.70000112.3D515 L519 Q520 Y554D515-S517 PolarHBondContact O-N 3.12Å; D515-S517 WeakPolarHBondContact OD1-CB 3.44Å; D515-S517 PolarHBondContact OD1-N 2.9Å; D515-S517 PolarHBondContact OD1-OG 3.03Å; S517-L519 PolarHBondContact O-N 3.39Å; S517-Q520 WeakPolarHBondContact O-CB 3.44Å; S517-Q520 PolarHBondContact O-N 3.31Å; S517-Y554 WeakPolarHBondContact CB-OH 3.47Å
518I88.6Confident84.7Confident0 Ų068 Ų680%037%0.369CS..G310 helixtrans-63.6-22177.2-65.7177.2000112.2R508 M511 D515 P516 Q520 L521 L551 Y554 F559R508-I518 HydrophobicContact CG-CG2 4.44Å; M511-I518 HydrophobicContact CB-CD1 3.49Å; M511-I518 VanDerWaalsContact CB-CD1 3.49Å; M511-I518 HydrophobicContact CB-CG2 4.27Å; D515-I518 HydrophobicContact CB-CD1 4.31Å; D515-I518 HydrophobicContact CB-CG1 4.48Å; D515-I518 WeakPolarHBondContact O-CB 3.27Å; D515-I518 WeakPolarHBondContact O-CG1 3.48Å; D515-I518 PolarHBondContact O-N 3.22Å; D515-I518 VanDerWaalsContact O-N 3.16Å; P516-I518 PolarHBondContact O-N 3.04Å; P516-I518 VanDerWaalsContact O-N 3.16Å; I518-Q520 PolarHBondContact O-N 2.77Å; I518-L521 HydrophobicContact CG2-CD1 4.24Å; I518-L521 WeakPolarHBondContact O-CB 3.45Å; I518-L521 PolarHBondContact O-N 3.18Å; I518-L551 HydrophobicContact CD1-CD1 3.89Å; I518-L551 HydrophobicContact CG1-CD1 4.28Å; I518-L551 HydrophobicContact CG2-CD1 3.82Å; I518-Y554 HydrophobicContact CD1-CD1 4.18Å; I518-Y554 HydrophobicContact CD1-CE1 4.23Å; I518-Y554 HydrophobicContact CG1-CD1 3.9Å; I518-Y554 HydrophobicContact CG1-CE1 3.86Å; I518-F559 HydrophobicContact CD1-CZ 4.11Å
519L88.2Confident82.8Confident91 Ų9173 Ų7348%0.47640%0.397SS..G310 helixtrans-66.1-21.7174.7-66.2175.6000113R508 A512 P516 S517 L521R508-L519 PolarHBondContact NH2-O 3.45Å; A512-L519 HydrophobicContact CB-CD2 3.67Å; A512-L519 HydrophobicContact CB-CG 3.82Å; P516-L519 WeakPolarHBondContact O-CB 3.32Å; P516-L519 PolarHBondContact O-N 3.27Å; S517-L519 PolarHBondContact O-N 3.39Å; L519-L521 VanDerWaalsContact C-N 3.28Å
520Q86.8Confident81.2Confident136 Ų13672.8 Ų72.864%0.63640%0.402SS*.G310 helixtrans-76.3-15.5177.1-56.3-17922.900112.7L446 S517 I518L446-Q520 HydrophobicContact CD2-CB 4.09Å; L446-Q520 HydrophobicContact CD2-CG 4.49Å; L446-Q520 VanDerWaalsContact CD2-OE1 3.31Å; S517-Q520 WeakPolarHBondContact O-CB 3.44Å; S517-Q520 PolarHBondContact O-N 3.31Å; I518-Q520 PolarHBondContact O-N 2.77Å
521L85.2Confident79.7Confident12 Ų1274.4 Ų74.46%0.06340%0.402CS..SBendtrans-67.1135.9177.2-64.1-178.9000111L446 I518 L519 F523 F547 E550 L551L446-L521 HydrophobicContact CD1-CD2 3.61Å; L446-L521 HydrophobicContact CD1-CG 4.32Å; I518-L521 HydrophobicContact CG2-CD1 4.24Å; I518-L521 WeakPolarHBondContact O-CB 3.45Å; I518-L521 PolarHBondContact O-N 3.18Å; L519-L521 VanDerWaalsContact C-N 3.28Å; L521-F523 PolarHBondContact O-N 2.82Å; L521-F547 HydrophobicContact CB-CD2 4.11Å; L521-F547 HydrophobicContact CB-CE2 4.21Å; L521-F547 HydrophobicContact CD1-CE2 4.28Å; L521-E550 HydrophobicContact CD2-CB 3.94Å; L521-L551 HydrophobicContact CD1-CB 4.04Å; L521-L551 HydrophobicContact CD1-CD1 4.15Å
522P84.3Confident78.4Confident75 Ų7581.8 Ų81.849%0.48743%0.43SS..  trans-60.6120178.626.2-33.8000110.1E550P522-E550 WeakPolarHBondContact CD-OE2 3.47Å; P522-E550 VanDerWaalsContact CG-OE2 3.3Å; P522-E550 WeakPolarHBondContact CG-OE2 3.38Å
523F88.4Confident77.6Confident39 Ų3984 Ų8417%0.17145%0.445CS..  trans-130129.9-179.6-167.5-94.3000111.6Y501 F504 Y505 R508 L521 G525 L544 F547Y501-F523 AromaticContact CE2-CE1 3.75Å; Y501-F523 HydrophobicContact CE2-CE1 3.75Å; Y501-F523 HydrophobicContact CE2-CZ 4.05Å; Y501-F523 AromaticContact CZ-CE1 3.82Å; F504-F523 HydrophobicContact CB-CE2 4.02Å; F504-F523 HydrophobicContact CB-CZ 3.98Å; Y505-F523 AromaticContact CD2-CE1 3.89Å; Y505-F523 HydrophobicContact CD2-CE1 3.89Å; R508-F523 HydrophobicContact CB-CD2 4.42Å; R508-F523 HydrophobicContact CB-CE2 4.37Å; L521-F523 PolarHBondContact O-N 2.82Å; F523-G525 PolarHBondContact O-N 3.01Å; F523-L544 HydrophobicContact CE2-CD2 4.07Å; F523-L544 HydrophobicContact CZ-CD2 4.23Å; F523-F547 HydrophobicContact CB-CD2 4.5Å; F523-F547 HydrophobicContact CD2-CB 4.42Å; F523-F547 AromaticContact CD2-CD1 3.76Å; F523-F547 HydrophobicContact CD2-CD1 3.76Å; F523-F547 AromaticContact CD2-CD2 3.67Å; F523-F547 HydrophobicContact CD2-CD2 3.67Å; F523-F547 AromaticContact CD2-CE1 3.88Å; F523-F547 HydrophobicContact CD2-CE1 3.88Å; F523-F547 AromaticContact CD2-CE2 3.79Å; F523-F547 HydrophobicContact CD2-CE2 3.79Å; F523-F547 AromaticContact CD2-CG 3.65Å; F523-F547 HydrophobicContact CD2-CG 3.65Å; F523-F547 AromaticContact CD2-CZ 3.89Å; F523-F547 HydrophobicContact CD2-CZ 3.89Å; F523-F547 AromaticContact CE2-CD1 3.77Å; F523-F547 HydrophobicContact CE2-CD1 3.77Å; F523-F547 HydrophobicContact CE2-CD2 4.47Å; F523-F547 AromaticContact CE2-CE1 3.74Å; F523-F547 HydrophobicContact CE2-CE1 3.74Å; F523-F547 HydrophobicContact CE2-CE2 4.44Å; F523-F547 HydrophobicContact CE2-CG 4.15Å; F523-F547 HydrophobicContact CE2-CZ 4.09Å
524P84.1Confident76.9Confident5 Ų587.1 Ų87.13%0.03245%0.445CS..PPolyproline II helixtrans-61.7129.9-179.517-25000112.1Y501 R540 Q543 L544Y501-P524 HydrophobicContact CE2-CB 4.32Å; Y501-P524 HydrophobicContact CE2-CG 4.1Å; Y501-P524 VanDerWaalsContact CE2-O 3.27Å; Y501-P524 WeakPolarHBondContact CE2-O 3.4Å; Y501-P524 PolarHBondContact OH-O 3Å; P524-R540 HydrophobicContact CB-CG 4.13Å; P524-R540 HydrophobicContact CG-CG 4.21Å; P524-Q543 HydrophobicContact CB-CB 4.14Å; P524-Q543 HydrophobicContact CG-CB 3.98Å; P524-L544 HydrophobicContact CG-CD2 3.54Å; P524-L544 HydrophobicContact CG-CG 3.9Å
525G79.2Confident76.4Confident52 Ų5284 Ų8454%0.53645%0.449SS..PPolyproline II helixtrans-71.5163178.100000114.7F523 R540F523-G525 PolarHBondContact O-N 3.01Å; G525-R540 PolarHBondContact O-NH2 3.31Å
526K74.6Confident75.9Confident148 Ų14883.3 Ų83.364%0.64345%0.445SS*.PPolyproline II helixtrans-75124.7168.3-68.9-179.8-176.11760109Y501Y501-K526 HydrophobicContact CE1-CG 3.75Å; Y501-K526 PolarHBondContact OH-N 3.4Å
527K71.3Confident75.6Confident118 Ų11879.4 Ų79.451%0.51342%0.419SS..  trans-107.9134.9169.7-72.8-161.3-177.8175.90109.9F536K527-F536 HydrophobicContact CB-CE2 4.39Å; K527-F536 HydrophobicContact CB-CZ 3.91Å; K527-F536 HydrophobicContact CD-CD2 4.19Å; K527-F536 HydrophobicContact CD-CE2 3.49Å; K527-F536 VanDerWaalsContact CD-CE2 3.49Å; K527-F536 HydrophobicContact CD-CZ 3.9Å; K527-F536 HydrophobicContact CG-CE2 3.97Å; K527-F536 HydrophobicContact CG-CZ 3.92Å
528K59.4Low75.4Confident208 Ų20880.3 Ų80.390%0.90442%0.42SS*.SBendtrans-84.9-26.8178.1-63.7-173.4178.3-176.90112.9
529I51.4Low75.1Confident150 Ų15084.5 Ų84.577%0.76944%0.44SS*.SBendtrans-116.4144.4-179.9-156.480000110.2H531I529-H531 VanDerWaalsContact C-N 3.34Å; I529-H531 PolarHBondContact O-N 2.8Å
530G58.7Low75.1Confident44 Ų4481.2 Ų81.245%0.45442%0.422SS..  trans75.412.7173.300000116.1R532 S533G530-R532 PolarHBondContact O-N 3.22Å; G530-S533 PolarHBondContact O-N 3.05Å; G530-S533 PolarHBondContact O-OG 3.12Å
531H57.3Low75.4Confident78 Ų7875.9 Ų75.936%0.36140%0.395SS..THydrogen-bonded Turntrans-66.8-3.6-17669.479.8000115.2I529 F536I529-H531 VanDerWaalsContact C-N 3.34Å; I529-H531 PolarHBondContact O-N 2.8Å; H531-F536 HydrophobicContact CB-CE1 4.21Å
532R62.6Low75.4Confident156 Ų15682.3 Ų82.359%0.58942%0.419SS*.THydrogen-bonded Turntrans-108.2-6179.1-59.9-172.4175157.5-0.3114G530 Q534G530-R532 PolarHBondContact O-N 3.22Å; R532-Q534 PolarHBondContact O-N 2.93Å
533S70.9Confident75.6Confident60 Ų6082.5 Ų82.542%0.4241%0.413SS..  trans-68.8133.5177.566.90000109.8G530 A535 F536 V537G530-S533 PolarHBondContact O-N 3.05Å; G530-S533 PolarHBondContact O-OG 3.12Å; S533-A535 VanDerWaalsContact C-N 3.25Å; S533-A535 PolarHBondContact O-N 3.32Å; S533-F536 WeakPolarHBondContact O-CB 3.44Å; S533-F536 PolarHBondContact O-N 2.72Å; S533-F536 WeakPolarHBondContact OG-CB 3.5Å; S533-F536 PolarHBondContact OG-N 3.32Å; S533-V537 WeakPolarHBondContact O-CG2 3.39Å; S533-V537 PolarHBondContact O-N 2.69Å
534Q75.8Confident75.9Confident154 Ų15480.6 Ų80.672%0.7241%0.405SS*.Hα-helixtrans-56.5-41.8-179.1-174.6175.6-2.500111.6R532 F536 V537 E538R532-Q534 PolarHBondContact O-N 2.93Å; Q534-F536 VanDerWaalsContact C-N 3.31Å; Q534-F536 PolarHBondContact O-N 3.28Å; Q534-V537 PolarHBondContact O-N 2.94Å; Q534-E538 WeakPolarHBondContact O-CB 3.23Å; Q534-E538 PolarHBondContact O-N 2.85Å
535A73.8Confident76.2Confident78 Ų7882.3 Ų82.365%0.64541%0.412SS*.Hα-helixtrans-58.3-39.6175.500000113S533 M539S533-A535 VanDerWaalsContact C-N 3.25Å; S533-A535 PolarHBondContact O-N 3.32Å; A535-M539 WeakPolarHBondContact O-CB 3.3Å; A535-M539 PolarHBondContact O-N 3.2Å
536F77.9Confident76.5Confident19 Ų1982.6 Ų82.68%0.08340%0.404CS..Hα-helixtrans-70.9-39.9177.5174.9-107.8000112.4K527 H531 S533 Q534 E538 M539 R540K527-F536 HydrophobicContact CB-CE2 4.39Å; K527-F536 HydrophobicContact CB-CZ 3.91Å; K527-F536 HydrophobicContact CD-CD2 4.19Å; K527-F536 HydrophobicContact CD-CE2 3.49Å; K527-F536 VanDerWaalsContact CD-CE2 3.49Å; K527-F536 HydrophobicContact CD-CZ 3.9Å; K527-F536 HydrophobicContact CG-CE2 3.97Å; K527-F536 HydrophobicContact CG-CZ 3.92Å; H531-F536 HydrophobicContact CB-CE1 4.21Å; S533-F536 WeakPolarHBondContact O-CB 3.44Å; S533-F536 PolarHBondContact O-N 2.72Å; S533-F536 WeakPolarHBondContact OG-CB 3.5Å; S533-F536 PolarHBondContact OG-N 3.32Å; Q534-F536 VanDerWaalsContact C-N 3.31Å; Q534-F536 PolarHBondContact O-N 3.28Å; F536-E538 VanDerWaalsContact C-N 3.32Å; F536-M539 PolarHBondContact O-N 3.44Å; F536-R540 VanDerWaalsContact CE1-CZ 3.4Å; F536-R540 VanDerWaalsContact CZ-NH2 3.25Å; F536-R540 WeakPolarHBondContact O-CB 3.42Å; F536-R540 PolarHBondContact O-N 3.06Å
537V82.6Confident77.4Confident8 Ų875.6 Ų75.65%0.04837%0.373CS..Hα-helixtrans-62.7-43.5177.8175.20000110.1A471 H482 S533 Q534 R540 R541A471-V537 HydrophobicContact CB-CG1 3.5Å; A471-V537 VanDerWaalsContact CB-CG1 3.5Å; H482-V537 HydrophobicContact CB-CG1 4.5Å; H482-V537 VanDerWaalsContact CE1-CG2 3.42Å; H482-V537 WeakPolarHBondContact CE1-CG2 3.27Å; H482-V537 VanDerWaalsContact NE2-CG2 3.34Å; H482-V537 WeakPolarHBondContact NE2-CG2 3.36Å; S533-V537 WeakPolarHBondContact O-CG2 3.39Å; S533-V537 PolarHBondContact O-N 2.69Å; Q534-V537 PolarHBondContact O-N 2.94Å; V537-R540 PolarHBondContact O-N 2.79Å; V537-R541 WeakPolarHBondContact O-CB 3.49Å; V537-R541 PolarHBondContact O-N 3.24Å
538E81.8Confident78.4Confident56 Ų5670 Ų7026%0.26235%0.349SS..Hα-helixtrans-66.5-44.6177.1177.856-15900112.3Q534 F536 R540 R541 R542Q534-E538 WeakPolarHBondContact O-CB 3.23Å; Q534-E538 PolarHBondContact O-N 2.85Å; F536-E538 VanDerWaalsContact C-N 3.32Å; E538-R540 VanDerWaalsContact C-N 3.31Å; E538-R540 PolarHBondContact O-N 3.46Å; E538-R541 WeakPolarHBondContact O-CB 3.48Å; E538-R541 PolarHBondContact O-N 3.28Å; E538-R541 IonicContact OE1-CZ 3.38Å; E538-R541 IonicContact OE1-NE 3.13Å; E538-R541 PolarHBondContact OE1-NE 3.18Å; E538-R541 IonicContact OE1-NH2 2.97Å; E538-R541 PolarHBondContact OE1-NH2 3.21Å; E538-R541 WeakPolarHBondContact OE2-CD 3.32Å; E538-R541 IonicContact OE2-CZ 3.42Å; E538-R541 IonicContact OE2-NE 3.25Å; E538-R541 PolarHBondContact OE2-NE 2.8Å; E538-R541 IonicContact OE2-NH2 3.91Å; E538-R542 WeakPolarHBondContact O-CG 3.3Å; E538-R542 PolarHBondContact O-N 2.63Å; E538-R542 VanDerWaalsContact O-N 3.14Å; E538-R542 IonicContact OE1-CZ 2.82Å; E538-R542 IonicContact OE1-NE 3.34Å; E538-R542 PolarHBondContact OE1-NE 2.98Å; E538-R542 IonicContact OE1-NH2 3.83Å; E538-R542 PolarHBondContact OE1-NH2 3.48Å
539M83.2Confident79.8Confident88 Ų8865.6 Ų65.643%0.43333%0.327SS..Hα-helixtrans-55-48.7171.7176.7-161.5170.400111A535 F536 R541 R542 Q543A535-M539 WeakPolarHBondContact O-CB 3.3Å; A535-M539 PolarHBondContact O-N 3.2Å; F536-M539 PolarHBondContact O-N 3.44Å; M539-R541 PolarHBondContact O-N 3.14Å; M539-R542 PolarHBondContact O-N 3.27Å; M539-Q543 WeakPolarHBondContact O-CG 3.34Å; M539-Q543 PolarHBondContact O-N 3.42Å; M539-Q543 VanDerWaalsContact O-N 3.16Å
540R88.8Confident81.4Confident22 Ų2261.4 Ų61.48%0.08330%0.304CS..Hα-helixtrans-65-38.7-180179.2178.9-82172.2-10.8111.7Y484 Y501 P524 G525 F536 V537 E538 R542 Q543 L544Y484-R540 WeakPolarHBondContact OH-CD 3.38Å; Y501-R540 HydrophobicContact CD2-CG 4.4Å; P524-R540 HydrophobicContact CB-CG 4.13Å; P524-R540 HydrophobicContact CG-CG 4.21Å; G525-R540 PolarHBondContact O-NH2 3.31Å; F536-R540 VanDerWaalsContact CE1-CZ 3.4Å; F536-R540 VanDerWaalsContact CZ-NH2 3.25Å; F536-R540 WeakPolarHBondContact O-CB 3.42Å; F536-R540 PolarHBondContact O-N 3.06Å; V537-R540 PolarHBondContact O-N 2.79Å; E538-R540 VanDerWaalsContact C-N 3.31Å; E538-R540 PolarHBondContact O-N 3.46Å; R540-R542 VanDerWaalsContact C-N 3.35Å; R540-R542 PolarHBondContact O-N 2.95Å; R540-Q543 PolarHBondContact O-N 3.35Å; R540-L544 HydrophobicContact CG-CD1 4.08Å; R540-L544 HydrophobicContact CG-CG 4.22Å; R540-L544 WeakPolarHBondContact O-CG 3.37Å; R540-L544 PolarHBondContact O-N 3.46Å
541R91.2Very high82.9Confident23 Ų2359.3 Ų59.39%0.08728%0.282CS..Hα-helixtrans-54.8-50175.3-174.8-159.266.864.5-6110.8I468 Y484 V537 E538 M539 Q543 L544 E545I468-R541 HydrophobicContact CB-CG 4.13Å; I468-R541 HydrophobicContact CG2-CG 3.56Å; I468-R541 WeakPolarHBondContact O-CD 3.23Å; I468-R541 WeakPolarHBondContact O-CG 3.06Å; I468-R541 PolarHBondContact O-NE 3.38Å; I468-R541 PolarHBondContact O-NH1 3.44Å; Y484-R541 HydrophobicContact CD1-CB 4.13Å; Y484-R541 HydrophobicContact CD1-CG 4.09Å; Y484-R541 HydrophobicContact CE1-CB 3.93Å; Y484-R541 HydrophobicContact CE1-CG 4.4Å; V537-R541 WeakPolarHBondContact O-CB 3.49Å; V537-R541 PolarHBondContact O-N 3.24Å; E538-R541 WeakPolarHBondContact O-CB 3.48Å; E538-R541 PolarHBondContact O-N 3.28Å; E538-R541 IonicContact OE1-CZ 3.38Å; E538-R541 IonicContact OE1-NE 3.13Å; E538-R541 PolarHBondContact OE1-NE 3.18Å; E538-R541 IonicContact OE1-NH2 2.97Å; E538-R541 PolarHBondContact OE1-NH2 3.21Å; E538-R541 WeakPolarHBondContact OE2-CD 3.32Å; E538-R541 IonicContact OE2-CZ 3.42Å; E538-R541 IonicContact OE2-NE 3.25Å; E538-R541 PolarHBondContact OE2-NE 2.8Å; E538-R541 IonicContact OE2-NH2 3.91Å; M539-R541 PolarHBondContact O-N 3.14Å; R541-Q543 PolarHBondContact O-N 2.93Å; R541-L544 PolarHBondContact O-N 3.37Å; R541-E545 IonicContact NH1-OE2 3.78Å; R541-E545 PolarHBondContact NH1-OE2 2.66Å; R541-E545 VanDerWaalsContact NH1-OE2 3.13Å; R541-E545 PolarHBondContact O-N 3.14Å
542R86.1Confident84.3Confident148 Ų14855.7 Ų55.756%0.55827%0.265SS*.Hα-helixtrans-59.3-43.8177.1-65.2173.5-167.7178.6-1112.1E538 M539 R540 E545 V546E538-R542 WeakPolarHBondContact O-CG 3.3Å; E538-R542 PolarHBondContact O-N 2.63Å; E538-R542 VanDerWaalsContact O-N 3.14Å; E538-R542 IonicContact OE1-CZ 2.82Å; E538-R542 IonicContact OE1-NE 3.34Å; E538-R542 PolarHBondContact OE1-NE 2.98Å; E538-R542 IonicContact OE1-NH2 3.83Å; E538-R542 PolarHBondContact OE1-NH2 3.48Å; M539-R542 PolarHBondContact O-N 3.27Å; R540-R542 VanDerWaalsContact C-N 3.35Å; R540-R542 PolarHBondContact O-N 2.95Å; R542-E545 PolarHBondContact O-N 3.18Å; R542-V546 WeakPolarHBondContact O-CG2 3.27Å; R542-V546 PolarHBondContact O-N 2.96Å
543Q88.9Confident85.3Confident78 Ų7851.7 Ų51.736%0.36426%0.256SS..Hα-helixtrans-66.7-38.1178.2-69.1-177.1-44.100112.9P524 M539 R540 R541 E545 F547P524-Q543 HydrophobicContact CB-CB 4.14Å; P524-Q543 HydrophobicContact CG-CB 3.98Å; M539-Q543 WeakPolarHBondContact O-CG 3.34Å; M539-Q543 PolarHBondContact O-N 3.42Å; M539-Q543 VanDerWaalsContact O-N 3.16Å; R540-Q543 PolarHBondContact O-N 3.35Å; R541-Q543 PolarHBondContact O-N 2.93Å; Q543-E545 VanDerWaalsContact C-N 3.34Å; Q543-F547 WeakPolarHBondContact O-CB 3.32Å; Q543-F547 PolarHBondContact O-N 3.32Å
544L93.4Very high85.8Confident0 Ų049.9 Ų49.90%024%0.24CC..Hα-helixtrans-66.8-36.6174.9-71176.3000111.9I468 Y484 Y501 F504 F523 P524 R540 R541 L548I468-L544 HydrophobicContact CD1-CB 4.06Å; Y484-L544 HydrophobicContact CD1-CD1 4.25Å; Y484-L544 HydrophobicContact CD2-CD1 3.87Å; Y484-L544 HydrophobicContact CE1-CD1 4.04Å; Y484-L544 HydrophobicContact CE2-CD1 3.65Å; Y484-L544 HydrophobicContact CG-CD1 4.18Å; Y501-L544 HydrophobicContact CD2-CD1 4.46Å; Y501-L544 HydrophobicContact CD2-CD2 4.27Å; F504-L544 HydrophobicContact CB-CD2 3.85Å; F504-L544 HydrophobicContact CD1-CB 4.43Å; F504-L544 HydrophobicContact CD1-CD2 3.94Å; F504-L544 HydrophobicContact CD2-CD1 4.08Å; F504-L544 HydrophobicContact CD2-CD2 4.33Å; F504-L544 HydrophobicContact CE1-CB 4.22Å; F504-L544 HydrophobicContact CE2-CD1 4.11Å; F504-L544 HydrophobicContact CG-CD1 4.36Å; F504-L544 HydrophobicContact CG-CD2 3.81Å; F504-L544 HydrophobicContact CZ-CB 4.49Å; F504-L544 HydrophobicContact CZ-CD1 4.4Å; F523-L544 HydrophobicContact CE2-CD2 4.07Å; F523-L544 HydrophobicContact CZ-CD2 4.23Å; P524-L544 HydrophobicContact CG-CD2 3.54Å; P524-L544 HydrophobicContact CG-CG 3.9Å; R540-L544 HydrophobicContact CG-CD1 4.08Å; R540-L544 HydrophobicContact CG-CG 4.22Å; R540-L544 WeakPolarHBondContact O-CG 3.37Å; R540-L544 PolarHBondContact O-N 3.46Å; R541-L544 PolarHBondContact O-N 3.37Å; L544-L548 WeakPolarHBondContact O-CB 3.34Å; L544-L548 PolarHBondContact O-N 2.87Å
545E90.6Very high86.1Confident40 Ų4042.6 Ų42.619%0.18721%0.206CC..Hα-helixtrans-64-48.5175.5-174.4-179.4113.600111.1I468 R541 R542 Q543 L548 R549I468-E545 HydrophobicContact CB-CB 4.16Å; I468-E545 HydrophobicContact CB-CG 4.45Å; I468-E545 HydrophobicContact CD1-CB 3.93Å; I468-E545 HydrophobicContact CG1-CB 3.9Å; I468-E545 HydrophobicContact CG1-CG 4.15Å; I468-E545 PolarHBondContact N-OE2 3.23Å; R541-E545 IonicContact NH1-OE2 3.78Å; R541-E545 PolarHBondContact NH1-OE2 2.66Å; R541-E545 VanDerWaalsContact NH1-OE2 3.13Å; R541-E545 PolarHBondContact O-N 3.14Å; R542-E545 PolarHBondContact O-N 3.18Å; Q543-E545 VanDerWaalsContact C-N 3.34Å; E545-L548 PolarHBondContact O-N 3.47Å; E545-R549 WeakPolarHBondContact O-CB 3.49Å; E545-R549 VanDerWaalsContact O-CG 3.25Å; E545-R549 WeakPolarHBondContact O-CG 3.24Å; E545-R549 PolarHBondContact O-N 3.31Å
546V86.3Confident86.3Confident59 Ų5940.9 Ų40.936%0.35819%0.187SC..Hα-helixtrans-58.9-49.5175.3173.30000110.8R542 L548 R549 E550R542-V546 WeakPolarHBondContact O-CG2 3.27Å; R542-V546 PolarHBondContact O-N 2.96Å; V546-L548 VanDerWaalsContact C-N 3.34Å; V546-L548 PolarHBondContact O-N 3.38Å; V546-R549 PolarHBondContact O-N 2.95Å; V546-E550 HydrophobicContact CG1-CG 4.39Å; V546-E550 WeakPolarHBondContact O-CG 3.39Å; V546-E550 PolarHBondContact O-N 2.89Å
547F92.6Very high86.2Confident0 Ų044.1 Ų44.10%020%0.203CC..Hα-helixtrans-54.6-48.6177167-104.9000112.2L507 R508 L521 F523 Q543 E550 L551L507-F547 HydrophobicContact CD2-CE1 4.43Å; R508-F547 HydrophobicContact CB-CE1 4.46Å; R508-F547 HydrophobicContact CB-CE2 4.22Å; R508-F547 HydrophobicContact CB-CZ 3.64Å; R508-F547 HydrophobicContact CG-CE2 4.07Å; R508-F547 HydrophobicContact CG-CZ 4Å; L521-F547 HydrophobicContact CB-CD2 4.11Å; L521-F547 HydrophobicContact CB-CE2 4.21Å; L521-F547 HydrophobicContact CD1-CE2 4.28Å; F523-F547 HydrophobicContact CB-CD2 4.5Å; F523-F547 HydrophobicContact CD2-CB 4.42Å; F523-F547 AromaticContact CD2-CD1 3.76Å; F523-F547 HydrophobicContact CD2-CD1 3.76Å; F523-F547 AromaticContact CD2-CD2 3.67Å; F523-F547 HydrophobicContact CD2-CD2 3.67Å; F523-F547 AromaticContact CD2-CE1 3.88Å; F523-F547 HydrophobicContact CD2-CE1 3.88Å; F523-F547 AromaticContact CD2-CE2 3.79Å; F523-F547 HydrophobicContact CD2-CE2 3.79Å; F523-F547 AromaticContact CD2-CG 3.65Å; F523-F547 HydrophobicContact CD2-CG 3.65Å; F523-F547 AromaticContact CD2-CZ 3.89Å; F523-F547 HydrophobicContact CD2-CZ 3.89Å; F523-F547 AromaticContact CE2-CD1 3.77Å; F523-F547 HydrophobicContact CE2-CD1 3.77Å; F523-F547 HydrophobicContact CE2-CD2 4.47Å; F523-F547 AromaticContact CE2-CE1 3.74Å; F523-F547 HydrophobicContact CE2-CE1 3.74Å; F523-F547 HydrophobicContact CE2-CE2 4.44Å; F523-F547 HydrophobicContact CE2-CG 4.15Å; F523-F547 HydrophobicContact CE2-CZ 4.09Å; Q543-F547 WeakPolarHBondContact O-CB 3.32Å; Q543-F547 PolarHBondContact O-N 3.32Å; F547-E550 PolarHBondContact O-N 3.28Å; F547-L551 HydrophobicContact CE1-CD2 4.04Å; F547-L551 HydrophobicContact CE2-CB 4.5Å; F547-L551 HydrophobicContact CZ-CB 4.41Å; F547-L551 HydrophobicContact CZ-CD2 3.83Å; F547-L551 VanDerWaalsContact O-CB 3.23Å; F547-L551 WeakPolarHBondContact O-CB 3.43Å; F547-L551 PolarHBondContact O-N 3.08Å
548L92.8Very high86Confident0 Ų045.9 Ų45.90%022%0.215CC..Hα-helixtrans-68.2-37-176.9-174.259.8000111.8V466 V486 I488 F504 L507 L544 E545 V546 L552 F578 F579V466-L548 HydrophobicContact CG1-CB 4.3Å; V466-L548 HydrophobicContact CG1-CD2 3.62Å; V466-L548 HydrophobicContact CG1-CG 3.89Å; V486-L548 HydrophobicContact CG1-CD2 3.52Å; I488-L548 HydrophobicContact CD1-CD2 4.42Å; F504-L548 HydrophobicContact CE1-CD2 4.26Å; L507-L548 HydrophobicContact CD2-CD1 4.01Å; L544-L548 WeakPolarHBondContact O-CB 3.34Å; L544-L548 PolarHBondContact O-N 2.87Å; E545-L548 PolarHBondContact O-N 3.47Å; V546-L548 VanDerWaalsContact C-N 3.34Å; V546-L548 PolarHBondContact O-N 3.38Å; L548-L552 HydrophobicContact CD1-CD1 4.09Å; L548-L552 HydrophobicContact CD1-CG 4.31Å; L548-L552 HydrophobicContact CG-CD1 4.08Å; L548-L552 WeakPolarHBondContact O-CB 3.33Å; L548-L552 WeakPolarHBondContact O-CG 3.48Å; L548-L552 PolarHBondContact O-N 3.05Å; L548-F578 HydrophobicContact CD1-CE1 4.29Å; L548-F578 HydrophobicContact CD2-CE1 4.44Å; L548-F579 HydrophobicContact CD1-CE1 4.29Å; L548-F579 HydrophobicContact CD1-CZ 4.27Å
549R88.1Confident85.7Confident116 Ų11644.5 Ų44.544%0.43821%0.208SC..Hα-helixtrans-61.7-48.7173.2-73.5172.376.6-110.60.6111.4V466 E545 V546 N553V466-R549 HydrophobicContact CB-CG 3.75Å; V466-R549 HydrophobicContact CG1-CG 4.33Å; V466-R549 HydrophobicContact CG2-CG 4.36Å; E545-R549 WeakPolarHBondContact O-CB 3.49Å; E545-R549 VanDerWaalsContact O-CG 3.25Å; E545-R549 WeakPolarHBondContact O-CG 3.24Å; E545-R549 PolarHBondContact O-N 3.31Å; V546-R549 PolarHBondContact O-N 2.95Å; R549-N553 WeakPolarHBondContact O-CB 3.33Å; R549-N553 VanDerWaalsContact O-CG 3.24Å; R549-N553 PolarHBondContact O-N 3.17Å; R549-N553 PolarHBondContact O-ND2 3.44Å
550E86Confident85Confident62 Ų6245 Ų4529%0.2922%0.218SC..Hα-helixtrans-67.2-40.3179.4-69.9-174.8166.200112.1L521 P522 V546 F547 N553 Y554L521-E550 HydrophobicContact CD2-CB 3.94Å; P522-E550 WeakPolarHBondContact CD-OE2 3.47Å; P522-E550 VanDerWaalsContact CG-OE2 3.3Å; P522-E550 WeakPolarHBondContact CG-OE2 3.38Å; V546-E550 HydrophobicContact CG1-CG 4.39Å; V546-E550 WeakPolarHBondContact O-CG 3.39Å; V546-E550 PolarHBondContact O-N 2.89Å; F547-E550 PolarHBondContact O-N 3.28Å; E550-N553 PolarHBondContact O-N 2.95Å; E550-Y554 VanDerWaalsContact O-CB 3.29Å; E550-Y554 WeakPolarHBondContact O-CB 3.4Å; E550-Y554 PolarHBondContact O-N 3.38Å
551L89.6Confident84.1Confident0 Ų048.4 Ų48.40%024%0.235CC..Hα-helixtrans-60.9-49.7175.9178.166.4000111.3L507 M511 I518 L521 F547 Y554 M555L507-L551 HydrophobicContact CD1-CD2 4.26Å; L507-L551 HydrophobicContact CD2-CD2 3.66Å; L507-L551 HydrophobicContact CG-CD2 3.8Å; M511-L551 HydrophobicContact CB-CD1 4.25Å; M511-L551 HydrophobicContact CG-CD1 4.29Å; M511-L551 HydrophobicContact CG-CD2 4.42Å; I518-L551 HydrophobicContact CD1-CD1 3.89Å; I518-L551 HydrophobicContact CG1-CD1 4.28Å; I518-L551 HydrophobicContact CG2-CD1 3.82Å; L521-L551 HydrophobicContact CD1-CB 4.04Å; L521-L551 HydrophobicContact CD1-CD1 4.15Å; F547-L551 HydrophobicContact CE1-CD2 4.04Å; F547-L551 HydrophobicContact CE2-CB 4.5Å; F547-L551 HydrophobicContact CZ-CB 4.41Å; F547-L551 HydrophobicContact CZ-CD2 3.83Å; F547-L551 VanDerWaalsContact O-CB 3.23Å; F547-L551 WeakPolarHBondContact O-CB 3.43Å; F547-L551 PolarHBondContact O-N 3.08Å; L551-Y554 WeakPolarHBondContact O-CB 3.18Å; L551-Y554 PolarHBondContact O-N 2.81Å; L551-M555 HydrophobicContact CD1-CG 4.32Å; L551-M555 HydrophobicContact CD1-SD 4.22Å; L551-M555 HydrophobicContact CD2-SD 4.47Å; L551-M555 HydrophobicContact CG-CG 4.45Å; L551-M555 HydrophobicContact CG-SD 3.94Å; L551-M555 WeakPolarHBondContact O-CB 3.49Å; L551-M555 WeakPolarHBondContact O-CG 3.4Å; L551-M555 PolarHBondContact O-N 3.17Å
552L86.1Confident82.9Confident2 Ų248.2 Ų48.21%0.0124%0.235CC..Hα-helixtrans-66.2-39.3-179.9-77.5168.4000111.8V464 V466 L548 M555 V556 L572 F579V464-L552 HydrophobicContact CG1-CD1 4.13Å; V466-L552 HydrophobicContact CG2-CD1 3.53Å; L548-L552 HydrophobicContact CD1-CD1 4.09Å; L548-L552 HydrophobicContact CD1-CG 4.31Å; L548-L552 HydrophobicContact CG-CD1 4.08Å; L548-L552 WeakPolarHBondContact O-CB 3.33Å; L548-L552 WeakPolarHBondContact O-CG 3.48Å; L548-L552 PolarHBondContact O-N 3.05Å; L552-M555 HydrophobicContact CD2-SD 4.38Å; L552-M555 PolarHBondContact O-N 3.03Å; L552-V556 VanDerWaalsContact O-CG2 3.3Å; L552-V556 WeakPolarHBondContact O-CG2 3.38Å; L552-V556 PolarHBondContact O-N 3.25Å; L552-L572 HydrophobicContact CD2-CD1 4.17Å; L552-L572 HydrophobicContact CD2-CD2 3.74Å; L552-F579 HydrophobicContact CD1-CE1 4.41Å; L552-F579 HydrophobicContact CD2-CE1 4.24Å; L552-F579 HydrophobicContact CD2-CZ 3.85Å; L552-F579 HydrophobicContact CG-CZ 4.45Å
553N83.6Confident81.8Confident72 Ų7245 Ų4539%0.38523%0.234SC..Hα-helixtrans-60.8-45.1173.1-76.9-18.9000111.8R549 E550 V556 Q557R549-N553 WeakPolarHBondContact O-CB 3.33Å; R549-N553 VanDerWaalsContact O-CG 3.24Å; R549-N553 PolarHBondContact O-N 3.17Å; R549-N553 PolarHBondContact O-ND2 3.44Å; E550-N553 PolarHBondContact O-N 2.95Å; N553-V556 PolarHBondContact O-N 3.38Å; N553-Q557 WeakPolarHBondContact O-CG 3.41Å; N553-Q557 PolarHBondContact O-N 3.01Å; N553-Q557 VanDerWaalsContact O-N 3.15Å
554Y83.1Confident80.2Confident23 Ų2345.6 Ų45.69%0.0925%0.253CS..Hα-helixtrans-60.8-47.1176.2-175.8-97.3000111.5L446 D515 S517 I518 E550 L551 V556 Q557 C558 F559L446-Y554 HydrophobicContact CB-CD2 4.4Å; L446-Y554 HydrophobicContact CB-CE2 4.28Å; L446-Y554 HydrophobicContact CD1-CD2 3.6Å; L446-Y554 HydrophobicContact CD1-CE2 3.82Å; L446-Y554 HydrophobicContact CD1-CG 4.4Å; D515-Y554 HydrophobicContact CB-CE1 4.47Å; D515-Y554 WeakPolarHBondContact OD2-CE1 3.45Å; D515-Y554 PolarHBondContact OD2-OH 2.99Å; S517-Y554 WeakPolarHBondContact CB-OH 3.47Å; I518-Y554 HydrophobicContact CD1-CD1 4.18Å; I518-Y554 HydrophobicContact CD1-CE1 4.23Å; I518-Y554 HydrophobicContact CG1-CD1 3.9Å; I518-Y554 HydrophobicContact CG1-CE1 3.86Å; E550-Y554 VanDerWaalsContact O-CB 3.29Å; E550-Y554 WeakPolarHBondContact O-CB 3.4Å; E550-Y554 PolarHBondContact O-N 3.38Å; L551-Y554 WeakPolarHBondContact O-CB 3.18Å; L551-Y554 PolarHBondContact O-N 2.81Å; Y554-V556 PolarHBondContact O-N 3.01Å; Y554-Q557 PolarHBondContact O-N 3.24Å; Y554-C558 HydrophobicContact CD1-CB 4.36Å; Y554-C558 HydrophobicContact CE1-CB 3.95Å; Y554-C558 HydrophobicContact CE2-CB 4.32Å; Y554-C558 WeakPolarHBondContact CE2-SG 3.45Å; Y554-C558 VanDerWaalsContact CZ-SG 3.6Å; Y554-C558 WeakPolarHBondContact O-CB 3.27Å; Y554-C558 PolarHBondContact O-N 3.13Å; Y554-F559 HydrophobicContact CE1-CE1 4.49Å
555M80.9Confident78.4Confident1 Ų149.5 Ų49.51%0.00528%0.277CS..Hα-helixtrans-56.7-49.5177.6-77177.769.800111.4M511 L551 L552 Q557 C558 F559 F562 L572 L575M511-M555 HydrophobicContact SD-CE 4.03Å; M511-M555 HydrophobicContact SD-SD 4.15Å; L551-M555 HydrophobicContact CD1-CG 4.32Å; L551-M555 HydrophobicContact CD1-SD 4.22Å; L551-M555 HydrophobicContact CD2-SD 4.47Å; L551-M555 HydrophobicContact CG-CG 4.45Å; L551-M555 HydrophobicContact CG-SD 3.94Å; L551-M555 WeakPolarHBondContact O-CB 3.49Å; L551-M555 WeakPolarHBondContact O-CG 3.4Å; L551-M555 PolarHBondContact O-N 3.17Å; L552-M555 HydrophobicContact CD2-SD 4.38Å; L552-M555 PolarHBondContact O-N 3.03Å; M555-Q557 VanDerWaalsContact C-N 3.25Å; M555-Q557 PolarHBondContact O-N 3.46Å; M555-C558 PolarHBondContact O-N 2.79Å; M555-F559 HydrophobicContact CB-CD2 4.15Å; M555-F559 HydrophobicContact CB-CE2 4.46Å; M555-F559 HydrophobicContact CE-CD2 4.15Å; M555-F559 HydrophobicContact CE-CE2 4.13Å; M555-F559 HydrophobicContact CG-CD2 3.89Å; M555-F559 HydrophobicContact CG-CE2 3.7Å; M555-F559 HydrophobicContact CG-CZ 4.41Å; M555-F559 VanDerWaalsContact O-CB 3.32Å; M555-F559 WeakPolarHBondContact O-CB 3.4Å; M555-F559 PolarHBondContact O-N 3.05Å; M555-F562 HydrophobicContact CB-CD2 4.42Å; M555-F562 HydrophobicContact CB-CE2 3.85Å; M555-F562 HydrophobicContact CE-CE2 3.84Å; M555-F562 HydrophobicContact CE-CZ 3.81Å; M555-F562 VanDerWaalsContact O-CD2 3.31Å; M555-F562 WeakPolarHBondContact O-CD2 3.3Å; M555-L572 HydrophobicContact CE-CD2 4.22Å; M555-L575 HydrophobicContact CE-CD1 3.85Å
556V78.8Confident77.1Confident42 Ų4251.9 Ų51.926%0.25530%0.298SS..Hα-helixtrans-61.5-32.9179.2171.90000112.4V464 L552 N553 Y554 L567V464-V556 HydrophobicContact CG2-CG2 4.31Å; L552-V556 VanDerWaalsContact O-CG2 3.3Å; L552-V556 WeakPolarHBondContact O-CG2 3.38Å; L552-V556 PolarHBondContact O-N 3.25Å; N553-V556 PolarHBondContact O-N 3.38Å; Y554-V556 PolarHBondContact O-N 3.01Å; V556-L567 HydrophobicContact CG2-CD2 3.89Å
557Q76.4Confident76.4Confident87 Ų8749.8 Ų49.841%0.40729%0.285SS..Hα-helixtrans-83.7-37-179.5-69.71762000113.6N553 Y554 M555N553-Q557 WeakPolarHBondContact O-CG 3.41Å; N553-Q557 PolarHBondContact O-N 3.01Å; N553-Q557 VanDerWaalsContact O-N 3.15Å; Y554-Q557 PolarHBondContact O-N 3.24Å; M555-Q557 VanDerWaalsContact C-N 3.25Å; M555-Q557 PolarHBondContact O-N 3.46Å
558C77.4Confident75.7Confident45 Ų4550.9 Ų50.930%0.30429%0.293SS..Hα-helixtrans-106-24-168.4-63.20000114Y554 M555 P560Y554-C558 HydrophobicContact CD1-CB 4.36Å; Y554-C558 HydrophobicContact CE1-CB 3.95Å; Y554-C558 HydrophobicContact CE2-CB 4.32Å; Y554-C558 WeakPolarHBondContact CE2-SG 3.45Å; Y554-C558 VanDerWaalsContact CZ-SG 3.6Å; Y554-C558 WeakPolarHBondContact O-CB 3.27Å; Y554-C558 PolarHBondContact O-N 3.13Å; M555-C558 PolarHBondContact O-N 2.79Å; C558-P560 WeakPolarHBondContact O-CD 3.37Å
559F76.2Confident75.2Confident26 Ų2653.4 Ų53.411%0.11431%0.305CS..  trans-92.5118.3-178.2-66.2-6.5000110.9M511 R514 D515 I518 Y554 M555 E561 F562M511-F559 HydrophobicContact SD-CE2 4.24Å; R514-F559 HydrophobicContact CB-CZ 4.46Å; D515-F559 HydrophobicContact CB-CE1 4.14Å; D515-F559 HydrophobicContact CB-CZ 4.5Å; I518-F559 HydrophobicContact CD1-CZ 4.11Å; Y554-F559 HydrophobicContact CE1-CE1 4.49Å; M555-F559 HydrophobicContact CB-CD2 4.15Å; M555-F559 HydrophobicContact CB-CE2 4.46Å; M555-F559 HydrophobicContact CE-CD2 4.15Å; M555-F559 HydrophobicContact CE-CE2 4.13Å; M555-F559 HydrophobicContact CG-CD2 3.89Å; M555-F559 HydrophobicContact CG-CE2 3.7Å; M555-F559 HydrophobicContact CG-CZ 4.41Å; M555-F559 VanDerWaalsContact O-CB 3.32Å; M555-F559 WeakPolarHBondContact O-CB 3.4Å; M555-F559 PolarHBondContact O-N 3.05Å; F559-E561 PolarHBondContact O-N 3.26Å; F559-E561 VanDerWaalsContact O-N 3.14Å; F559-F562 HydrophobicContact CB-CD2 3.74Å; F559-F562 HydrophobicContact CB-CE2 3.89Å; F559-F562 AromaticContact CD2-CE2 3.98Å; F559-F562 HydrophobicContact CD2-CE2 3.98Å; F559-F562 HydrophobicContact CG-CE2 4.43Å; F559-F562 PolarHBondContact O-N 3.09Å; F559-F562 VanDerWaalsContact O-N 3.15Å
560P68.9Low75Confident98 Ų9858.1 Ų58.164%0.63632%0.322SS*.THydrogen-bonded Turntrans-65.4-19.3-175.425.3-33.6000113.4C558 F562 S563C558-P560 WeakPolarHBondContact O-CD 3.37Å; P560-F562 PolarHBondContact O-N 3.18Å; P560-F562 VanDerWaalsContact O-N 3.16Å; P560-S563 PolarHBondContact O-N 3.22Å; P560-S563 PolarHBondContact O-OG 3.16Å
561E69.4Low74.8Confident95 Ų9556.1 Ų56.144%0.44432%0.315SS..Hα-helixtrans-58-28.4175.2-62.9179.9-160.900112.5F559 T565 L575F559-E561 PolarHBondContact O-N 3.26Å; F559-E561 VanDerWaalsContact O-N 3.14Å; E561-T565 PolarHBondContact O-OG1 3.23Å; E561-L575 VanDerWaalsContact OE2-CD2 3.26Å; E561-L575 WeakPolarHBondContact OE2-CD2 3.44Å
562F66.7Low74.5Confident19 Ų1956.1 Ų56.18%0.08332%0.315CS..Hα-helixtrans-96.5-8.2-178.9-53-56.8000114.6M555 F559 P560 L567 L572 L575M555-F562 HydrophobicContact CB-CD2 4.42Å; M555-F562 HydrophobicContact CB-CE2 3.85Å; M555-F562 HydrophobicContact CE-CE2 3.84Å; M555-F562 HydrophobicContact CE-CZ 3.81Å; M555-F562 VanDerWaalsContact O-CD2 3.31Å; M555-F562 WeakPolarHBondContact O-CD2 3.3Å; F559-F562 HydrophobicContact CB-CD2 3.74Å; F559-F562 HydrophobicContact CB-CE2 3.89Å; F559-F562 AromaticContact CD2-CE2 3.98Å; F559-F562 HydrophobicContact CD2-CE2 3.98Å; F559-F562 HydrophobicContact CG-CE2 4.43Å; F559-F562 PolarHBondContact O-N 3.09Å; F559-F562 VanDerWaalsContact O-N 3.15Å; P560-F562 PolarHBondContact O-N 3.18Å; P560-F562 VanDerWaalsContact O-N 3.16Å; F562-L567 HydrophobicContact CD1-CD1 3.16Å; F562-L567 HydrophobicContact CE1-CD1 3.15Å; F562-L567 HydrophobicContact CG-CD1 3.91Å; F562-L567 HydrophobicContact CZ-CD1 3.9Å; F562-L572 HydrophobicContact CE1-CD2 4.25Å; F562-L572 HydrophobicContact CZ-CD2 3.96Å; F562-L575 HydrophobicContact CE1-CD1 3.81Å; F562-L575 HydrophobicContact CE2-CD1 3.87Å; F562-L575 HydrophobicContact CZ-CD1 3.13Å
563S61.9Low74.5Confident79 Ų7956.9 Ų56.955%0.55232%0.322SS*.Hα-helixtrans-76.9-31.3173.964.60000111.7P560P560-S563 PolarHBondContact O-N 3.22Å; P560-S563 PolarHBondContact O-OG 3.16Å
564A54.9Low74.4Confident92 Ų9258 Ų5876%0.7634%0.336SS*.Hα-helixtrans-96.7-30.7-177.800000114.3
565T56.6Low74.3Confident81 Ų8157.7 Ų57.750%0.49734%0.335SS..SBendtrans-108.3139.4-173.4-45.50000111E561 L567E561-T565 PolarHBondContact O-OG1 3.23Å; T565-L567 PolarHBondContact O-N 3.17Å; T565-L567 VanDerWaalsContact O-N 3.1Å
566S63.4Low74.5Confident91 Ų9158 Ų5864%0.63634%0.337SS*.  trans-58.7117.9168.853.90000109.3S568S566-S568 PolarHBondContact O-N 2.65Å
567L71.5Confident74.9Confident14 Ų1460.5 Ų60.57%0.07335%0.354CS..  trans-55.1124.8176.3-170.874.9000108.8V464 I490 V556 F562 T565 L572V464-L567 HydrophobicContact CG2-CD2 3.28Å; I490-L567 HydrophobicContact CD1-CD2 4.12Å; I490-L567 HydrophobicContact CD1-CG 4.14Å; I490-L567 HydrophobicContact CG1-CD2 4.35Å; I490-L567 HydrophobicContact CG2-CB 3.81Å; I490-L567 HydrophobicContact CG2-CD2 3.76Å; I490-L567 HydrophobicContact CG2-CG 3.86Å; I490-L567 WeakPolarHBondContact CG2-O 3.28Å; V556-L567 HydrophobicContact CG2-CD2 3.89Å; F562-L567 HydrophobicContact CD1-CD1 3.16Å; F562-L567 HydrophobicContact CE1-CD1 3.15Å; F562-L567 HydrophobicContact CG-CD1 3.91Å; F562-L567 HydrophobicContact CZ-CD1 3.9Å; T565-L567 PolarHBondContact O-N 3.17Å; T565-L567 VanDerWaalsContact O-N 3.1Å; L567-L572 HydrophobicContact CD1-CD2 3.97Å; L567-L572 HydrophobicContact CD1-CG 4.07Å
568S78Confident75.7Confident24 Ų2456.8 Ų56.817%0.16834%0.337CS..  trans-137.4165179.961.80000109.3E493 S566 R570 S571 L572E493-S568 WeakPolarHBondContact OE2-CB 3.3Å; S566-S568 PolarHBondContact O-N 2.65Å; S568-R570 PolarHBondContact O-N 3.33Å; S568-S571 PolarHBondContact N-OG 2.85Å; S568-S571 PolarHBondContact O-N 3.36Å; S568-S571 PolarHBondContact O-OG 2.99Å; S568-S571 PolarHBondContact OG-N 3.08Å; S568-L572 PolarHBondContact O-N 2.94Å
569Q82.7Confident76.2Confident53 Ų5354.7 Ų54.725%0.24832%0.322CS..Hα-helixtrans-56.1-37.3174.4-173.5-177.20.900111.5E493 F495 L572 A573E493-Q569 PolarHBondContact OE2-N 2.85Å; F495-Q569 HydrophobicContact CD1-CB 3.87Å; F495-Q569 HydrophobicContact CD1-CG 3.93Å; F495-Q569 HydrophobicContact CD2-CG 3.99Å; F495-Q569 HydrophobicContact CE1-CB 3.7Å; F495-Q569 HydrophobicContact CE1-CG 3.84Å; F495-Q569 HydrophobicContact CE2-CG 3.89Å; F495-Q569 HydrophobicContact CG-CB 4.43Å; F495-Q569 HydrophobicContact CG-CG 4.01Å; F495-Q569 HydrophobicContact CZ-CB 4.11Å; F495-Q569 HydrophobicContact CZ-CG 3.82Å; Q569-L572 PolarHBondContact O-N 3.34Å; Q569-A573 WeakPolarHBondContact O-CB 3.4Å; Q569-A573 PolarHBondContact O-N 3.27Å
570R83.4Confident76.6Confident214 Ų21458.7 Ų58.781%0.80834%0.342SS*.Hα-helixtrans-66.4-40.5-179.5-64.2-173.6-161.7147.86.2112.8S568 L572 A573 S574S568-R570 PolarHBondContact O-N 3.33Å; R570-L572 VanDerWaalsContact C-N 3.32Å; R570-A573 PolarHBondContact O-N 3.24Å; R570-S574 PolarHBondContact O-N 3.11Å; R570-S574 PolarHBondContact O-OG 3.3Å
571S81.4Confident76.6Confident20 Ų2062.5 Ų62.514%0.1435%0.351CS..Hα-helixtrans-68.9-34178.4630000112S568 S574S568-S571 PolarHBondContact N-OG 2.85Å; S568-S571 PolarHBondContact O-N 3.36Å; S568-S571 PolarHBondContact O-OG 2.99Å; S568-S571 PolarHBondContact OG-N 3.08Å; S571-S574 WeakPolarHBondContact CA-OG 3.42Å; S571-S574 PolarHBondContact O-OG 3.15Å
572L83.2Confident76.9Confident0 Ų060.9 Ų60.90%035%0.346CS..Hα-helixtrans-68.4-43.5171.3-72.8177.5000112I490 F495 L552 M555 F562 L567 S568 Q569 R570 S574 L575 T576 F579I490-L572 HydrophobicContact CD1-CD1 3.49Å; I490-L572 VanDerWaalsContact CD1-CD1 3.49Å; F495-L572 HydrophobicContact CZ-CD1 4.42Å; L552-L572 HydrophobicContact CD2-CD1 4.17Å; L552-L572 HydrophobicContact CD2-CD2 3.74Å; M555-L572 HydrophobicContact CE-CD2 4.22Å; F562-L572 HydrophobicContact CE1-CD2 4.25Å; F562-L572 HydrophobicContact CZ-CD2 3.96Å; L567-L572 HydrophobicContact CD1-CD2 3.97Å; L567-L572 HydrophobicContact CD1-CG 4.07Å; S568-L572 PolarHBondContact O-N 2.94Å; Q569-L572 PolarHBondContact O-N 3.34Å; R570-L572 VanDerWaalsContact C-N 3.32Å; L572-S574 VanDerWaalsContact C-N 3.33Å; L572-S574 PolarHBondContact O-N 3.44Å; L572-L575 WeakPolarHBondContact O-CB 3.42Å; L572-L575 PolarHBondContact O-N 3.36Å; L572-T576 PolarHBondContact O-N 2.73Å; L572-F579 HydrophobicContact CB-CB 3.82Å; L572-F579 HydrophobicContact CB-CD1 4.28Å; L572-F579 HydrophobicContact CB-CD2 3.68Å; L572-F579 HydrophobicContact CB-CE2 4.29Å; L572-F579 HydrophobicContact CB-CG 3.68Å; L572-F579 HydrophobicContact CD1-CD1 4.2Å; L572-F579 HydrophobicContact CD1-CE1 4.33Å; L572-F579 HydrophobicContact CD1-CG 4.43Å; L572-F579 HydrophobicContact CD2-CD2 4.39Å; L572-F579 HydrophobicContact CD2-CE2 4.16Å; L572-F579 HydrophobicContact CD2-CZ 4.41Å; L572-F579 HydrophobicContact CG-CD2 4.5Å; L572-F579 WeakPolarHBondContact O-CD2 3.39Å
573A85.4Confident77.5Confident19 Ų1963.1 Ų63.116%0.15736%0.36CS..Hα-helixtrans-62.5-38.117800000112.4Q569 R570 L575 T576 E580Q569-A573 WeakPolarHBondContact O-CB 3.4Å; Q569-A573 PolarHBondContact O-N 3.27Å; R570-A573 PolarHBondContact O-N 3.24Å; A573-L575 PolarHBondContact O-N 2.97Å; A573-T576 CarbonylContact O-C 3.37Å; A573-T576 PolarHBondContact O-N 3.17Å; A573-E580 HydrophobicContact CB-CG 3.83Å
574S82.9Confident78.4Confident96 Ų9662.2 Ų62.267%0.67135%0.349SS*.Hα-helixtrans-64.9-24.4176.555.90000113.8R570 S571 L572R570-S574 PolarHBondContact O-N 3.11Å; R570-S574 PolarHBondContact O-OG 3.3Å; S571-S574 WeakPolarHBondContact CA-OG 3.42Å; S571-S574 PolarHBondContact O-OG 3.15Å; L572-S574 VanDerWaalsContact C-N 3.33Å; L572-S574 PolarHBondContact O-N 3.44Å
575L80.9Confident79.7Confident16 Ų1660.4 Ų60.48%0.08433%0.325CS..Hα-helixtrans-82-36.4177.2-80.1166.7000112.6M555 E561 F562 L572 A573M555-L575 HydrophobicContact CE-CD1 3.85Å; E561-L575 VanDerWaalsContact OE2-CD2 3.26Å; E561-L575 WeakPolarHBondContact OE2-CD2 3.44Å; F562-L575 HydrophobicContact CE1-CD1 3.81Å; F562-L575 HydrophobicContact CE2-CD1 3.87Å; F562-L575 HydrophobicContact CZ-CD1 3.13Å; L572-L575 WeakPolarHBondContact O-CB 3.42Å; L572-L575 PolarHBondContact O-N 3.36Å; A573-L575 PolarHBondContact O-N 2.97Å
576T84.4Confident81.2Confident8 Ų859.1 Ų59.15%0.04931%0.314CS..  trans-158.1136-178.1178.40000111.5L507 M511 L572 A573 F578 F579L507-T576 HydrophobicContact CD1-CG2 3.5Å; M511-T576 HydrophobicContact CE-CG2 4.14Å; L572-T576 PolarHBondContact O-N 2.73Å; A573-T576 CarbonylContact O-C 3.37Å; A573-T576 PolarHBondContact O-N 3.17Å; T576-F578 HydrophobicContact CG2-CB 4.09Å; T576-F578 PolarHBondContact O-N 2.79Å; T576-F578 PolarHBondContact OG1-N 3.11Å; T576-F579 HydrophobicContact CG2-CD2 3.3Å; T576-F579 HydrophobicContact CG2-CE2 3.4Å; T576-F579 VanDerWaalsContact CG2-CE2 3.4Å; T576-F579 PolarHBondContact O-N 3.17Å
577P88Confident82.4Confident94 Ų9457 Ų5761%0.6129%0.293SS*.G310 helixtrans-63.7-7.5177.727.8-36.6000112.9F579 E580P577-F579 PolarHBondContact O-N 3.01Å; P577-E580 PolarHBondContact O-N 2.67Å
578F92Very high83.1Confident9 Ų960.1 Ų60.14%0.03931%0.309CS..G310 helixtrans-58.3-32.3172.6-177.4-87.7000112.8L497 K499 Q503 F504 L507 L548 T576L497-F578 HydrophobicContact CD1-CE1 4.35Å; K499-F578 HydrophobicContact CB-CE2 3.89Å; K499-F578 HydrophobicContact CB-CZ 4.16Å; K499-F578 HydrophobicContact CD-CD2 4.47Å; K499-F578 HydrophobicContact CD-CE2 4.43Å; K499-F578 WeakPolarHBondContact CE-O 3.4Å; K499-F578 HydrophobicContact CG-CD2 4.32Å; K499-F578 HydrophobicContact CG-CE2 3.82Å; K499-F578 HydrophobicContact CG-CZ 3.95Å; Q503-F578 HydrophobicContact CB-CD2 4.14Å; Q503-F578 HydrophobicContact CB-CE2 4.25Å; F504-F578 HydrophobicContact CB-CE2 4.47Å; F504-F578 AromaticContact CD1-CE2 3.93Å; F504-F578 HydrophobicContact CD1-CE2 3.93Å; F504-F578 AromaticContact CD1-CZ 3.7Å; F504-F578 HydrophobicContact CD1-CZ 3.7Å; F504-F578 AromaticContact CD2-CE2 3.98Å; F504-F578 HydrophobicContact CD2-CE2 3.98Å; F504-F578 HydrophobicContact CD2-CZ 4.28Å; F504-F578 HydrophobicContact CE1-CE2 4.18Å; F504-F578 AromaticContact CE1-CZ 3.55Å; F504-F578 HydrophobicContact CE1-CZ 3.55Å; F504-F578 HydrophobicContact CE2-CE2 4.2Å; F504-F578 HydrophobicContact CE2-CZ 4.13Å; F504-F578 AromaticContact CG-CE2 3.85Å; F504-F578 HydrophobicContact CG-CE2 3.85Å; F504-F578 HydrophobicContact CG-CZ 4.08Å; F504-F578 HydrophobicContact CZ-CE2 4.31Å; F504-F578 AromaticContact CZ-CZ 3.79Å; F504-F578 HydrophobicContact CZ-CZ 3.79Å; L507-F578 HydrophobicContact CB-CB 4.22Å; L507-F578 HydrophobicContact CB-CD2 3.91Å; L507-F578 HydrophobicContact CB-CG 4.04Å; L507-F578 HydrophobicContact CD1-CB 3.99Å; L507-F578 HydrophobicContact CD1-CD1 4.45Å; L507-F578 HydrophobicContact CD1-CG 4.22Å; L507-F578 HydrophobicContact CD2-CB 4.46Å; L507-F578 HydrophobicContact CD2-CD1 3.64Å; L507-F578 HydrophobicContact CD2-CD2 4.06Å; L507-F578 HydrophobicContact CD2-CE1 3.81Å; L507-F578 HydrophobicContact CD2-CE2 4.21Å; L507-F578 HydrophobicContact CD2-CG 3.78Å; L507-F578 HydrophobicContact CD2-CZ 4.09Å; L507-F578 HydrophobicContact CG-CB 4.46Å; L507-F578 HydrophobicContact CG-CD1 4.49Å; L507-F578 HydrophobicContact CG-CD2 4.5Å; L507-F578 HydrophobicContact CG-CG 4.23Å; L548-F578 HydrophobicContact CD1-CE1 4.29Å; L548-F578 HydrophobicContact CD2-CE1 4.44Å; T576-F578 HydrophobicContact CG2-CB 4.09Å; T576-F578 PolarHBondContact O-N 2.79Å; T576-F578 PolarHBondContact OG1-N 3.11Å
579F89Confident83.5Confident0 Ų062.8 Ų62.80%032%0.319CS..G310 helixtrans-93.21-178.4-60.3-74.7000114.2I488 L497 L507 L548 L552 L572 T576 P577I488-F579 HydrophobicContact CD1-CD1 3.93Å; I488-F579 HydrophobicContact CD1-CE1 3.85Å; L497-F579 HydrophobicContact CD1-CD1 4Å; L507-F579 HydrophobicContact CD1-CE2 4.19Å; L548-F579 HydrophobicContact CD1-CE1 4.29Å; L548-F579 HydrophobicContact CD1-CZ 4.27Å; L552-F579 HydrophobicContact CD1-CE1 4.41Å; L552-F579 HydrophobicContact CD2-CE1 4.24Å; L552-F579 HydrophobicContact CD2-CZ 3.85Å; L552-F579 HydrophobicContact CG-CZ 4.45Å; L572-F579 HydrophobicContact CB-CB 3.82Å; L572-F579 HydrophobicContact CB-CD1 4.28Å; L572-F579 HydrophobicContact CB-CD2 3.68Å; L572-F579 HydrophobicContact CB-CE2 4.29Å; L572-F579 HydrophobicContact CB-CG 3.68Å; L572-F579 HydrophobicContact CD1-CD1 4.2Å; L572-F579 HydrophobicContact CD1-CE1 4.33Å; L572-F579 HydrophobicContact CD1-CG 4.43Å; L572-F579 HydrophobicContact CD2-CD2 4.39Å; L572-F579 HydrophobicContact CD2-CE2 4.16Å; L572-F579 HydrophobicContact CD2-CZ 4.41Å; L572-F579 HydrophobicContact CG-CD2 4.5Å; L572-F579 WeakPolarHBondContact O-CD2 3.39Å; T576-F579 HydrophobicContact CG2-CD2 3.3Å; T576-F579 HydrophobicContact CG2-CE2 3.4Å; T576-F579 VanDerWaalsContact CG2-CE2 3.4Å; T576-F579 PolarHBondContact O-N 3.17Å; P577-F579 PolarHBondContact O-N 3.01Å
580E83.2Confident83.6Confident111 Ų11163.7 Ų63.752%0.51933%0.325SS..  trans-73.6142.7165.5-67-178.516400109.5K499 A573 P577K499-E580 WeakPolarHBondContact CE-O 3.13Å; K499-E580 PolarHBondContact NZ-O 2.58Å; A573-E580 HydrophobicContact CB-CG 3.83Å; P577-E580 PolarHBondContact O-N 2.67Å
581Q69.4Low83.6Confident177 Ų17750 Ų5083%0.82728%0.282SS*.  trans-61.70-172-167163.316.700111.9K499K499-Q581 PolarHBondContact NZ-OXT 2.6Å

Retrieved 581 of 581 residues in 150.3 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).