A0A077ZI84_TRITR Loading...

K trans domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 667 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low41.7Very low246 Ų246147.5 Ų147.5100%1.21269%0.69SS**  0-7.30-107.6165.9157.900114.3
2E36Very low43.6Very low178 Ų178144.7 Ų144.783%0.83267%0.674SS**  trans-92.4-14.1-176.8-136.2164.9-172.300115
3K40.5Very low46.3Very low195 Ų195140 Ų14085%0.84866%0.656SS**G310 helixtrans-83.1-5.9-175.6-81-176.7174.6179.80116.1K5K3-K5 VanDerWaalsContact C-N 3.25Å; K3-K5 PolarHBondContact O-N 2.92Å
4K34.2Very low48.9Very low194 Ų194133.2 Ų133.284%0.84363%0.631SS**G310 helixtrans-78-4.8-177.7-139.9177.7-173.8179.50114
5K31.8Very low51.2Low156 Ų156129.4 Ų129.468%0.67863%0.631SS**G310 helixtrans-83.7-30-174-79.9-177174.6177.80114.6K3 D8 H9K3-K5 VanDerWaalsContact C-N 3.25Å; K3-K5 PolarHBondContact O-N 2.92Å; K5-D8 PolarHBondContact O-N 3.42Å; K5-H9 PolarHBondContact O-CD2 3.41Å
6D41Very low53.1Low133 Ų133125.1 Ų125.171%0.71162%0.623SS**G310 helixtrans-73.7-33.2-170.7-85.8-13.7000114.3D8D6-D8 VanDerWaalsContact C-N 3.29Å; D6-D8 PolarHBondContact O-N 3.25Å
7H43.3Very low54.6Low111 Ų111118.1 Ų118.151%0.51459%0.59SS.*G310 helixtrans-74.4-19.4177.3-77.9-62.3000113.8H9H7-H9 VanDerWaalsContact C-N 3.33Å
8D42.3Very low56.3Low78 Ų78114 Ų11442%0.41757%0.57SS.*G310 helixtrans-80.2-17.8-175.7-148.739.6000112.4K5 D6 K12K5-D8 PolarHBondContact O-N 3.42Å; D6-D8 VanDerWaalsContact C-N 3.29Å; D6-D8 PolarHBondContact O-N 3.25Å; D8-K12 WeakPolarHBondContact O-CG 3.45Å; D8-K12 WeakPolarHBondContact OD2-CE 3.38Å; D8-K12 IonicContact OD2-NZ 2.66Å; D8-K12 PolarHBondContact OD2-NZ 3.28Å
9H41.6Very low57.9Low119 Ų119111 Ų11155%0.55156%0.556SS**THydrogen-bonded Turntrans-75.7-32-179.9-75.9-68.7000113.7K5 H7 K11 K12K5-H9 PolarHBondContact O-CD2 3.41Å; H7-H9 VanDerWaalsContact C-N 3.33Å; H9-K11 VanDerWaalsContact C-N 3.33Å; H9-K12 PolarHBondContact O-N 3.24Å
10I51.6Low59Low76 Ų76109.2 Ų109.239%0.3955%0.547SS..THydrogen-bonded Turntrans-71.9-30.9-179.9-61.4176.2000111K12 H245 N250I10-K12 VanDerWaalsContact C-N 3.33Å; I10-K12 PolarHBondContact O-N 3.15Å; I10-H245 WeakPolarHBondContact CG2-O 3.35Å; I10-N250 PolarHBondContact O-ND2 2.99Å
11K56.7Low60.1Low136 Ų136104 Ų10459%0.59152%0.521SS*.THydrogen-bonded Turntrans-78.6-14177.5-67.5-173.1177.3-177.40113.8H9H9-K11 VanDerWaalsContact C-N 3.33Å
12K64.6Low62.3Low114 Ų11492.9 Ų92.950%0.49647%0.466SS..SBendtrans-96.4140.1-179.5-74.6172.3175.7161.10110.4D8 H9 I10 S14D8-K12 WeakPolarHBondContact O-CG 3.45Å; D8-K12 WeakPolarHBondContact OD2-CE 3.38Å; D8-K12 IonicContact OD2-NZ 2.66Å; D8-K12 PolarHBondContact OD2-NZ 3.28Å; H9-K12 PolarHBondContact O-N 3.24Å; I10-K12 VanDerWaalsContact C-N 3.33Å; I10-K12 PolarHBondContact O-N 3.15Å; K12-S14 PolarHBondContact O-N 2.88Å
13L78.7Confident64.6Low84 Ų8484.4 Ų84.444%0.4443%0.427SS..  trans-58.2120.2175179.968.2000108.8L18 N250 F253L13-L18 HydrophobicContact CD1-CD1 4.43Å; L13-L18 HydrophobicContact CD1-CD2 3.96Å; L13-L18 HydrophobicContact CD1-CG 4.25Å; L13-N250 WeakPolarHBondContact CA-OD1 3.45Å; L13-F253 HydrophobicContact CD1-CB 3.87Å; L13-F253 HydrophobicContact CD1-CD2 3.82Å; L13-F253 HydrophobicContact CD1-CG 3.92Å; L13-F253 HydrophobicContact CD2-CD1 4.43Å; L13-F253 HydrophobicContact CD2-CD2 4.03Å; L13-F253 HydrophobicContact CD2-CE1 4.46Å; L13-F253 HydrophobicContact CD2-CE2 4.06Å; L13-F253 HydrophobicContact CD2-CG 4.22Å; L13-F253 HydrophobicContact CD2-CZ 4.28Å
14S82.6Confident66.4Low45 Ų4576.7 Ų76.732%0.31540%0.396SS..  trans-145.8152.1177.565.60000110.2K12 A16 G17 L18K12-S14 PolarHBondContact O-N 2.88Å; S14-A16 PolarHBondContact O-N 3.08Å; S14-G17 WeakPolarHBondContact O-CA 3.24Å; S14-G17 PolarHBondContact O-N 3.38Å; S14-G17 PolarHBondContact OG-N 2.95Å; S14-L18 WeakPolarHBondContact O-CG 3.42Å; S14-L18 PolarHBondContact O-N 3.45Å
15A83.9Confident68.7Low76 Ų7667.5 Ų67.563%0.62836%0.356SS*.Hα-helixtrans-58.3-38.8176.800000111.8L18 L19A15-L18 PolarHBondContact O-N 3.43Å; A15-L19 PolarHBondContact O-N 2.85Å
16A81.5Confident71.3Confident60 Ų6060 Ų6050%0.49632%0.324SS..Hα-helixtrans-61.9-43.717300000111.8S14 L18 L19 I20S14-A16 PolarHBondContact O-N 3.08Å; A16-L18 VanDerWaalsContact C-N 3.35Å; A16-L18 PolarHBondContact O-N 2.64Å; A16-L19 PolarHBondContact O-N 3.44Å; A16-I20 WeakPolarHBondContact O-CB 3.36Å; A16-I20 WeakPolarHBondContact O-CD1 3.46Å; A16-I20 WeakPolarHBondContact O-CG1 3.4Å; A16-I20 PolarHBondContact O-N 3.2Å
17G78.6Confident73.5Confident7 Ų753.7 Ų53.77%0.07229%0.29CS..Hα-helixtrans-61.4-39175.900000113.4S14 I20 A21S14-G17 WeakPolarHBondContact O-CA 3.24Å; S14-G17 PolarHBondContact O-N 3.38Å; S14-G17 PolarHBondContact OG-N 2.95Å; G17-I20 PolarHBondContact O-N 3.13Å; G17-A21 WeakPolarHBondContact O-CB 3.21Å; G17-A21 PolarHBondContact O-N 3.12Å
18L85.5Confident75.7Confident44 Ų4448.7 Ų48.723%0.2327%0.267CS..Hα-helixtrans-65.1-43.6174.7-65.9173.2000112.1L13 S14 A15 A16 A21 M22 N250 F253L13-L18 HydrophobicContact CD1-CD1 4.43Å; L13-L18 HydrophobicContact CD1-CD2 3.96Å; L13-L18 HydrophobicContact CD1-CG 4.25Å; S14-L18 WeakPolarHBondContact O-CG 3.42Å; S14-L18 PolarHBondContact O-N 3.45Å; A15-L18 PolarHBondContact O-N 3.43Å; A16-L18 VanDerWaalsContact C-N 3.35Å; A16-L18 PolarHBondContact O-N 2.64Å; L18-A21 VanDerWaalsContact O-CB 3.31Å; L18-A21 WeakPolarHBondContact O-CB 3.33Å; L18-A21 PolarHBondContact O-N 3.25Å; L18-M22 WeakPolarHBondContact O-CG 3.2Å; L18-M22 PolarHBondContact O-N 3.04Å; L18-M22 VanDerWaalsContact O-N 3.08Å; L18-N250 HydrophobicContact CD2-CB 4.44Å; L18-N250 WeakPolarHBondContact CD2-O 3.37Å; L18-F253 HydrophobicContact CD2-CB 3.82Å
19L86.4Confident78Confident57 Ų5745 Ų4530%0.29825%0.247SC..Hα-helixtrans-64.6-44175.7-70.7174.5000111.1A15 A16 A21 M22 G23 G177 P178 F181A15-L19 PolarHBondContact O-N 2.85Å; A16-L19 PolarHBondContact O-N 3.44Å; L19-A21 VanDerWaalsContact C-N 3.26Å; L19-A21 PolarHBondContact O-N 2.71Å; L19-M22 PolarHBondContact O-N 3.08Å; L19-G23 PolarHBondContact O-N 3Å; L19-G177 WeakPolarHBondContact O-CA 3.32Å; L19-P178 HydrophobicContact CD1-CG 4.45Å; L19-F181 HydrophobicContact CD2-CB 3.81Å; L19-F181 HydrophobicContact CD2-CG 4.18Å
20I79.9Confident80.4Confident75 Ų7539.3 Ų39.339%0.38522%0.221SC..Hα-helixtrans-59.1-41175.7-67164000110.4A16 G17 M22 G23 V24 V246A16-I20 WeakPolarHBondContact O-CB 3.36Å; A16-I20 WeakPolarHBondContact O-CD1 3.46Å; A16-I20 WeakPolarHBondContact O-CG1 3.4Å; A16-I20 PolarHBondContact O-N 3.2Å; G17-I20 PolarHBondContact O-N 3.13Å; I20-M22 VanDerWaalsContact C-N 3.31Å; I20-M22 PolarHBondContact O-N 2.81Å; I20-G23 PolarHBondContact O-N 3.32Å; I20-V24 HydrophobicContact CG2-CG2 4.03Å; I20-V24 WeakPolarHBondContact O-CB 3.26Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.03Å; I20-V246 HydrophobicContact CG2-CG2 4.07Å
21A82.6Confident82.4Confident0 Ų035.7 Ų35.70%020%0.202CC..Hα-helixtrans-55.7-46.217300000111.8G17 L18 L19 G23 V25 Y26 V246G17-A21 WeakPolarHBondContact O-CB 3.21Å; G17-A21 PolarHBondContact O-N 3.12Å; L18-A21 VanDerWaalsContact O-CB 3.31Å; L18-A21 WeakPolarHBondContact O-CB 3.33Å; L18-A21 PolarHBondContact O-N 3.25Å; L19-A21 VanDerWaalsContact C-N 3.26Å; L19-A21 PolarHBondContact O-N 2.71Å; A21-G23 VanDerWaalsContact C-N 3.34Å; A21-G23 PolarHBondContact O-N 3.46Å; A21-V25 WeakPolarHBondContact O-CA 3.18Å; A21-V25 VanDerWaalsContact O-CB 3.23Å; A21-V25 WeakPolarHBondContact O-CB 3.37Å; A21-V25 PolarHBondContact O-N 3.45Å; A21-Y26 HydrophobicContact CB-CE2 4.25Å; A21-Y26 PolarHBondContact O-N 3Å; A21-V246 HydrophobicContact CB-CG1 3.4Å
22M85.5Confident84.1Confident12 Ų1229.2 Ų29.26%0.05917%0.174CC..Hα-helixtrans-63.8-37.5179-65.1179-167.500113.9L18 L19 I20 Y26 M180 F181 F184 Y257L18-M22 WeakPolarHBondContact O-CG 3.2Å; L18-M22 PolarHBondContact O-N 3.04Å; L18-M22 VanDerWaalsContact O-N 3.08Å; L19-M22 PolarHBondContact O-N 3.08Å; I20-M22 VanDerWaalsContact C-N 3.31Å; I20-M22 PolarHBondContact O-N 2.81Å; M22-Y26 HydrophobicContact CB-CD2 4.45Å; M22-Y26 HydrophobicContact CG-CD2 4.13Å; M22-Y26 HydrophobicContact CG-CE2 4.45Å; M22-M180 HydrophobicContact CB-CB 4.23Å; M22-M180 VanDerWaalsContact O-CB 3.28Å; M22-M180 WeakPolarHBondContact O-CB 3.25Å; M22-M180 WeakPolarHBondContact O-CG 3.45Å; M22-F181 HydrophobicContact CE-CD2 4.17Å; M22-F181 HydrophobicContact SD-CB 3.88Å; M22-F181 HydrophobicContact SD-CD2 3.69Å; M22-F181 HydrophobicContact SD-CG 4.29Å; M22-F184 HydrophobicContact CB-CE2 4.32Å; M22-Y257 HydrophobicContact CE-CD1 3.5Å; M22-Y257 VanDerWaalsContact CE-CD1 3.5Å; M22-Y257 HydrophobicContact CE-CE1 3.93Å; M22-Y257 HydrophobicContact CE-CG 4.39Å; M22-Y257 HydrophobicContact SD-CD1 4.17Å; M22-Y257 HydrophobicContact SD-CE1 4.07Å
23G83.7Confident85.5Confident0 Ų023.8 Ų23.80%015%0.15CC..Hα-helixtrans-74-45.3178.700000113.7L19 I20 A21 I313L19-G23 PolarHBondContact O-N 3Å; I20-G23 PolarHBondContact O-N 3.32Å; A21-G23 VanDerWaalsContact C-N 3.34Å; A21-G23 PolarHBondContact O-N 3.46Å; G23-I313 WeakPolarHBondContact O-CG2 3.28Å
24V78.9Confident86.2Confident33 Ų3319.8 Ų19.820%0.213%0.129CC..Hα-helixtrans-93.3-38.3-168.7-179.90000111.9I20 V246 A317I20-V24 HydrophobicContact CG2-CG2 4.03Å; I20-V24 WeakPolarHBondContact O-CB 3.26Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.03Å; V24-V246 HydrophobicContact CB-CG2 4.48Å; V24-A317 WeakPolarHBondContact O-CB 3.37Å
25V81.5Confident86.5Confident1 Ų117.6 Ų17.61%0.00611%0.114CC..THydrogen-bonded Turntrans-97.4-41.5-168.61790000112A21 L239 D242 V246 I251A21-V25 WeakPolarHBondContact O-CA 3.18Å; A21-V25 VanDerWaalsContact O-CB 3.23Å; A21-V25 WeakPolarHBondContact O-CB 3.37Å; A21-V25 PolarHBondContact O-N 3.45Å; V25-L239 VanDerWaalsContact CG1-CA 3.44Å; V25-L239 HydrophobicContact CG1-CB 3.99Å; V25-L239 HydrophobicContact CG1-CD1 3.92Å; V25-L239 HydrophobicContact CG1-CG 3.61Å; V25-D242 HydrophobicContact CG2-CB 4.08Å; V25-V246 HydrophobicContact CG2-CB 4.25Å; V25-V246 HydrophobicContact CG2-CG2 3.64Å; V25-I251 HydrophobicContact CG1-CD1 4.44Å; V25-I251 HydrophobicContact CG2-CD1 4.47Å
26Y88.1Confident87Confident0 Ų014 Ų140%08%0.084CC..SBendtrans-97.17.1-174-50.8-52.5000114.1A21 M22 D28 I29 G30 L239 I251 S254 W255 V258A21-Y26 HydrophobicContact CB-CE2 4.25Å; A21-Y26 PolarHBondContact O-N 3Å; M22-Y26 HydrophobicContact CB-CD2 4.45Å; M22-Y26 HydrophobicContact CG-CD2 4.13Å; M22-Y26 HydrophobicContact CG-CE2 4.45Å; Y26-D28 VanDerWaalsContact C-N 3.35Å; Y26-D28 PolarHBondContact O-N 3.35Å; Y26-I29 HydrophobicContact CD1-CG2 4.3Å; Y26-G30 WeakPolarHBondContact O-CA 3.08Å; Y26-G30 PolarHBondContact O-N 3.12Å; Y26-L239 HydrophobicContact CD1-CD1 3.95Å; Y26-L239 HydrophobicContact CD1-CD2 4.4Å; Y26-L239 HydrophobicContact CD1-CG 4.09Å; Y26-L239 HydrophobicContact CE1-CD1 4.13Å; Y26-L239 HydrophobicContact CE1-CD2 3.8Å; Y26-L239 HydrophobicContact CE1-CG 3.76Å; Y26-I251 HydrophobicContact CE1-CG2 4.37Å; Y26-I251 WeakPolarHBondContact OH-CA 3.34Å; Y26-I251 WeakPolarHBondContact OH-CG2 3.32Å; Y26-I251 PolarHBondContact OH-O 3.06Å; Y26-S254 WeakPolarHBondContact CE2-OG 3.43Å; Y26-S254 PolarHBondContact OH-OG 2.96Å; Y26-W255 HydrophobicContact CD1-CE3 4.36Å; Y26-W255 AromaticContact CE1-CE3 3.85Å; Y26-W255 HydrophobicContact CE1-CE3 3.85Å; Y26-W255 HydrophobicContact CE1-CZ3 4.49Å; Y26-W255 WeakPolarHBondContact OH-CA 3.4Å; Y26-W255 PolarHBondContact OH-N 3Å; Y26-V258 HydrophobicContact CD2-CB 4.4Å; Y26-V258 HydrophobicContact CD2-CG2 3.52Å; Y26-V258 HydrophobicContact CE2-CG2 3.87Å; Y26-V258 HydrophobicContact CG-CG1 4.28Å; Y26-V258 HydrophobicContact CG-CG2 4.07Å
27G85.7Confident87.6Confident0 Ų011.2 Ų11.20%06%0.061CC..Hα-helixtrans-51.2-54.8178.300000111.6G30 T31 A314G27-G30 PolarHBondContact O-N 3.23Å; G27-T31 PolarHBondContact O-N 3.07Å; G27-A314 VanDerWaalsContact C-CB 3.42Å; G27-A314 WeakPolarHBondContact O-CB 3.4Å
28D89Confident88.2Confident5 Ų511.1 Ų11.13%0.0276%0.059CC..Hα-helixtrans-64.3-57.7-175.7-166.35.2000112.7Y26 G30 T31 S32 T121 Y380Y26-D28 VanDerWaalsContact C-N 3.35Å; Y26-D28 PolarHBondContact O-N 3.35Å; D28-G30 PolarHBondContact O-N 3.2Å; D28-G30 VanDerWaalsContact O-N 3.07Å; D28-T31 PolarHBondContact O-N 3.03Å; D28-T31 PolarHBondContact O-OG1 3.36Å; D28-S32 PolarHBondContact O-N 3.47Å; D28-T121 VanDerWaalsContact OD1-CG2 3.3Å; D28-T121 WeakPolarHBondContact OD1-CG2 3.44Å; D28-Y380 VanDerWaalsContact CG-OH 3.26Å; D28-Y380 PolarHBondContact OD1-OH 3.32Å; D28-Y380 PolarHBondContact OD2-OH 2.94Å
29I91.9Very high88.4Confident0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-58.7-29.4177.5-160.3169.8000112.6Y26 T31 S32 T70 T234 W255 L262Y26-I29 HydrophobicContact CD1-CG2 4.3Å; I29-T31 VanDerWaalsContact C-N 3.25Å; I29-T31 PolarHBondContact O-N 3.45Å; I29-S32 WeakPolarHBondContact O-CB 3.34Å; I29-S32 PolarHBondContact O-N 3.43Å; I29-S32 PolarHBondContact O-OG 3.36Å; I29-T70 HydrophobicContact CD1-CG2 3.84Å; I29-T234 WeakPolarHBondContact CA-O 3.3Å; I29-T234 VanDerWaalsContact CB-O 3.25Å; I29-T234 WeakPolarHBondContact CB-O 3.44Å; I29-T234 PolarHBondContact N-O 3.43Å; I29-W255 HydrophobicContact CD1-CH2 3.84Å; I29-W255 HydrophobicContact CD1-CZ3 3.99Å; I29-L262 HydrophobicContact CD1-CD1 4.43Å; I29-L262 HydrophobicContact CG1-CD1 4.1Å
30G91.8Very high88.7Confident0 Ų06.6 Ų6.60%04%0.036CC..Hα-helixtrans-67.4-21.1174.800000114.4Y26 G27 D28 P33 W183Y26-G30 WeakPolarHBondContact O-CA 3.08Å; Y26-G30 PolarHBondContact O-N 3.12Å; G27-G30 PolarHBondContact O-N 3.23Å; D28-G30 PolarHBondContact O-N 3.2Å; D28-G30 VanDerWaalsContact O-N 3.07Å; G30-P33 WeakPolarHBondContact O-CD 3.28Å; G30-W183 PolarHBondContact O-NE1 3.24Å
31T93Very high89.2Confident0 Ų03.2 Ų3.20%02%0.018CC..Hα-helixtrans-91.8-13.417662.30000113.4G27 D28 I29 P33 L34 Y35 T125 A310 A314G27-T31 PolarHBondContact O-N 3.07Å; D28-T31 PolarHBondContact O-N 3.03Å; D28-T31 PolarHBondContact O-OG1 3.36Å; I29-T31 VanDerWaalsContact C-N 3.25Å; I29-T31 PolarHBondContact O-N 3.45Å; T31-P33 VanDerWaalsContact C-N 3.32Å; T31-L34 HydrophobicContact CG2-CD1 4.46Å; T31-L34 WeakPolarHBondContact O-CB 3.38Å; T31-L34 VanDerWaalsContact O-CG 3.24Å; T31-L34 WeakPolarHBondContact O-CG 3.23Å; T31-L34 PolarHBondContact O-N 2.88Å; T31-Y35 WeakPolarHBondContact O-CE1 3.34Å; T31-T125 VanDerWaalsContact OG1-CG2 3.28Å; T31-T125 WeakPolarHBondContact OG1-CG2 3.39Å; T31-A310 HydrophobicContact CG2-CB 4.33Å; T31-A314 HydrophobicContact CG2-CB 3.67Å
32S93Very high89.5Confident0 Ų07.1 Ų7.10%04%0.037CC..G310 helixtrans-54.1-32.417969.40000116.4D28 I29 L34 Y35 V36 Y266D28-S32 PolarHBondContact O-N 3.47Å; I29-S32 WeakPolarHBondContact O-CB 3.34Å; I29-S32 PolarHBondContact O-N 3.43Å; I29-S32 PolarHBondContact O-OG 3.36Å; S32-L34 PolarHBondContact O-N 3.41Å; S32-L34 VanDerWaalsContact O-N 3.11Å; S32-Y35 VanDerWaalsContact CA-CZ 3.43Å; S32-Y35 WeakPolarHBondContact CA-OH 3.45Å; S32-Y35 PolarHBondContact O-N 2.81Å; S32-V36 WeakPolarHBondContact O-CB 3.18Å; S32-V36 WeakPolarHBondContact O-CG2 3.37Å; S32-V36 PolarHBondContact O-N 3.06Å; S32-Y266 PolarHBondContact OG-OH 3.06Å
33P94.3Very high89.5Confident0 Ų09.2 Ų9.20%05%0.046CC..G310 helixtrans-63.8-16.5174.8-22.535.6000114.4G30 T31 Y35 L187 L262 N265 Y266 Q269 F291G30-P33 WeakPolarHBondContact O-CD 3.28Å; T31-P33 VanDerWaalsContact C-N 3.32Å; P33-Y35 VanDerWaalsContact C-N 3.34Å; P33-L187 HydrophobicContact CB-CD2 4.41Å; P33-L187 HydrophobicContact CG-CD1 4.1Å; P33-L187 HydrophobicContact CG-CD2 4.5Å; P33-L262 HydrophobicContact CG-CD2 3.52Å; P33-N265 VanDerWaalsContact CB-OD1 3.3Å; P33-N265 WeakPolarHBondContact CB-OD1 3.3Å; P33-Y266 HydrophobicContact CB-CE1 4.3Å; P33-Y266 HydrophobicContact CG-CE2 4.5Å; P33-Q269 PolarHBondContact O-NE2 3.05Å; P33-F291 HydrophobicContact CB-CD2 4.46Å
34L92Very high89.6Confident0 Ų09.3 Ų9.30%05%0.047CC..G310 helixtrans-68.9-29.2177.6-62.9178.1000113.1T31 S32 T128 A129 W183 N289 F291 A307T31-L34 HydrophobicContact CG2-CD1 4.46Å; T31-L34 WeakPolarHBondContact O-CB 3.38Å; T31-L34 VanDerWaalsContact O-CG 3.24Å; T31-L34 WeakPolarHBondContact O-CG 3.23Å; T31-L34 PolarHBondContact O-N 2.88Å; S32-L34 PolarHBondContact O-N 3.41Å; S32-L34 VanDerWaalsContact O-N 3.11Å; L34-T128 HydrophobicContact CB-CG2 3.88Å; L34-T128 VanDerWaalsContact O-CG2 3.31Å; L34-T128 WeakPolarHBondContact O-CG2 3.36Å; L34-A129 HydrophobicContact CD1-CB 4.5Å; L34-W183 HydrophobicContact CD2-CH2 4.02Å; L34-W183 HydrophobicContact CD2-CZ2 4.12Å; L34-W183 HydrophobicContact CG-CZ2 4.39Å; L34-N289 PolarHBondContact O-ND2 3.1Å; L34-N289 PolarHBondContact O-OD1 3.4Å; L34-F291 HydrophobicContact CD2-CD1 3.33Å; L34-F291 HydrophobicContact CD2-CD2 4.15Å; L34-F291 HydrophobicContact CD2-CE1 3.25Å; L34-F291 HydrophobicContact CD2-CE2 4.09Å; L34-F291 HydrophobicContact CD2-CG 3.79Å; L34-F291 HydrophobicContact CD2-CZ 3.66Å; L34-A307 HydrophobicContact CD1-CB 4.22Å; L34-A307 HydrophobicContact CD2-CB 3.8Å
35Y90.3Very high89.9Confident0 Ų010 Ų100%06%0.06CC..THydrogen-bonded Turntrans-127-25.2-172.347.7-96.5000114.7T31 S32 P33 M37 K38 A39 V124 T125 L231 T234 Y380T31-Y35 WeakPolarHBondContact O-CE1 3.34Å; S32-Y35 VanDerWaalsContact CA-CZ 3.43Å; S32-Y35 WeakPolarHBondContact CA-OH 3.45Å; S32-Y35 PolarHBondContact O-N 2.81Å; P33-Y35 VanDerWaalsContact C-N 3.34Å; Y35-M37 PolarHBondContact O-N 2.81Å; Y35-K38 WeakPolarHBondContact O-CB 3.35Å; Y35-K38 PolarHBondContact O-N 2.94Å; Y35-A39 WeakPolarHBondContact O-CB 3.44Å; Y35-A39 PolarHBondContact O-N 3.02Å; Y35-V124 HydrophobicContact CD1-CG1 4.4Å; Y35-T125 HydrophobicContact CE1-CG2 4.16Å; Y35-L231 HydrophobicContact CD2-CB 4.15Å; Y35-L231 HydrophobicContact CD2-CD1 4.33Å; Y35-L231 HydrophobicContact CE2-CB 3.91Å; Y35-T234 PolarHBondContact OH-OG1 3.12Å; Y35-Y380 HydrophobicContact CE2-CE1 4.23Å; Y35-Y380 AromaticContact CZ-CE1 4Å
36V93.7Very high90Very high0 Ų011.1 Ų11.10%07%0.072CC..Hα-helixtrans-60.5-51.2-173166.80000113.3S32 K38 A39 I40 V62 L231 A232 Y266S32-V36 WeakPolarHBondContact O-CB 3.18Å; S32-V36 WeakPolarHBondContact O-CG2 3.37Å; S32-V36 PolarHBondContact O-N 3.06Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 3.05Å; V36-A39 PolarHBondContact O-N 3.17Å; V36-I40 HydrophobicContact CG1-CD1 3.83Å; V36-I40 VanDerWaalsContact O-CG1 3.29Å; V36-I40 WeakPolarHBondContact O-CG1 3.34Å; V36-I40 PolarHBondContact O-N 2.91Å; V36-V62 HydrophobicContact CG1-CG2 3.96Å; V36-L231 VanDerWaalsContact CG2-C 3.45Å; V36-L231 HydrophobicContact CG2-CB 3.82Å; V36-A232 HydrophobicContact CG1-CB 4.18Å; V36-A232 HydrophobicContact CG2-CB 3.98Å; V36-Y266 HydrophobicContact CB-CE1 3.86Å; V36-Y266 HydrophobicContact CG1-CE1 3.83Å
37M93.7Very high90Very high2 Ų211.5 Ų11.51%0.017%0.074CC..Hα-helixtrans-71.3-31.6-179.2-68.2-57.3-60.400112Y35 I40 L41 Y266 Q269 I273 P290Y35-M37 PolarHBondContact O-N 2.81Å; M37-I40 PolarHBondContact O-N 3.03Å; M37-I40 HydrophobicContact SD-CD1 4.1Å; M37-L41 WeakPolarHBondContact O-CB 3.24Å; M37-L41 VanDerWaalsContact O-CG 3.3Å; M37-L41 WeakPolarHBondContact O-CG 3.48Å; M37-L41 PolarHBondContact O-N 3.02Å; M37-Y266 HydrophobicContact CG-CD1 3.84Å; M37-Y266 HydrophobicContact CG-CE1 4.26Å; M37-Y266 HydrophobicContact SD-CD1 4.18Å; M37-Q269 HydrophobicContact CG-CB 4.12Å; M37-I273 HydrophobicContact CE-CD1 3.54Å; M37-P290 HydrophobicContact CB-CB 4.43Å; M37-P290 HydrophobicContact CB-CG 4.17Å
38K91.7Very high89.9Confident5 Ų514.7 Ų14.72%0.02210%0.097CC..Hα-helixtrans-58.6-52.3171.5179.9-167.5173.4-166.30110Y35 V36 I40 L41 E42 E131 N289 S373Y35-K38 WeakPolarHBondContact O-CB 3.35Å; Y35-K38 PolarHBondContact O-N 2.94Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 3.05Å; K38-I40 PolarHBondContact O-N 3.16Å; K38-L41 PolarHBondContact O-N 3.27Å; K38-E42 WeakPolarHBondContact O-CB 3.45Å; K38-E42 PolarHBondContact O-N 3.19Å; K38-E131 IonicContact NZ-OE2 2.59Å; K38-E131 PolarHBondContact NZ-OE2 2.99Å; K38-N289 HydrophobicContact CD-CB 4.23Å; K38-N289 HydrophobicContact CG-CB 4.41Å; K38-S373 PolarHBondContact NZ-OG 2.87Å
39A90.3Very high89.6Confident4 Ų416.1 Ų16.13%0.03311%0.105CC..Hα-helixtrans-58.8-45178.300000112.5Y35 V36 L41 E42 E43 L231 E377Y35-A39 WeakPolarHBondContact O-CB 3.44Å; Y35-A39 PolarHBondContact O-N 3.02Å; V36-A39 PolarHBondContact O-N 3.17Å; A39-L41 VanDerWaalsContact C-N 3.34Å; A39-L41 PolarHBondContact O-N 2.78Å; A39-E42 PolarHBondContact O-N 2.86Å; A39-E43 WeakPolarHBondContact O-CB 3.31Å; A39-E43 WeakPolarHBondContact O-CG 3.45Å; A39-E43 PolarHBondContact O-N 2.99Å; A39-L231 HydrophobicContact CB-CD1 4.2Å; A39-E377 WeakPolarHBondContact CB-OE2 3.41Å
40I92.2Very high89.5Confident1 Ų116.2 Ų16.21%0.00511%0.106CC..Hα-helixtrans-60.6-41.8178-71.4167.7000111.8V36 M37 K38 N44 F54 A58 V62 I225 I229V36-I40 HydrophobicContact CG1-CD1 3.83Å; V36-I40 VanDerWaalsContact O-CG1 3.29Å; V36-I40 WeakPolarHBondContact O-CG1 3.34Å; V36-I40 PolarHBondContact O-N 2.91Å; M37-I40 PolarHBondContact O-N 3.03Å; M37-I40 HydrophobicContact SD-CD1 4.1Å; K38-I40 PolarHBondContact O-N 3.16Å; I40-N44 PolarHBondContact O-N 3.39Å; I40-F54 HydrophobicContact CG2-CE1 3.74Å; I40-F54 HydrophobicContact CG2-CZ 3.87Å; I40-A58 HydrophobicContact CD1-CB 4.44Å; I40-A58 HydrophobicContact CG2-CB 3.87Å; I40-V62 HydrophobicContact CD1-CG2 4.01Å; I40-I225 HydrophobicContact CG2-CD1 4.39Å; I40-I229 HydrophobicContact CD1-CG1 4.03Å; I40-I229 HydrophobicContact CG1-CG1 4.43Å
41L91.1Very high89.4Confident5 Ų517.6 Ų17.63%0.02612%0.115CC..Hα-helixtrans-71.2-46.9178.7-72.9179.3000112.3M37 K38 A39 E43 N44 G45 G46 V50 I273 L288 P290M37-L41 WeakPolarHBondContact O-CB 3.24Å; M37-L41 VanDerWaalsContact O-CG 3.3Å; M37-L41 WeakPolarHBondContact O-CG 3.48Å; M37-L41 PolarHBondContact O-N 3.02Å; K38-L41 PolarHBondContact O-N 3.27Å; A39-L41 VanDerWaalsContact C-N 3.34Å; A39-L41 PolarHBondContact O-N 2.78Å; L41-E43 VanDerWaalsContact C-N 3.3Å; L41-E43 PolarHBondContact O-N 2.99Å; L41-N44 PolarHBondContact O-N 2.92Å; L41-G45 PolarHBondContact O-N 3.23Å; L41-G46 WeakPolarHBondContact O-CA 3.3Å; L41-G46 PolarHBondContact O-N 3.4Å; L41-V50 HydrophobicContact CD2-CG2 3.52Å; L41-I273 HydrophobicContact CD1-CD1 3.81Å; L41-I273 HydrophobicContact CD1-CG1 4.07Å; L41-I273 HydrophobicContact CD2-CD1 4.17Å; L41-I273 HydrophobicContact CD2-CG2 4.13Å; L41-I273 HydrophobicContact CG-CD1 4.2Å; L41-L288 HydrophobicContact CD1-CD2 4.35Å; L41-P290 HydrophobicContact CD1-CG 3.23Å; L41-P290 HydrophobicContact CG-CG 4.39Å
42E87.5Confident89.4Confident82 Ų8222.2 Ų22.238%0.38314%0.135SC..Hα-helixtrans-58.4-44.7-178.5-169.9173.9162.900110.6K38 A39 N44 G45 S374K38-E42 WeakPolarHBondContact O-CB 3.45Å; K38-E42 PolarHBondContact O-N 3.19Å; A39-E42 PolarHBondContact O-N 2.86Å; E42-N44 VanDerWaalsContact C-N 3.32Å; E42-N44 PolarHBondContact O-N 3.49Å; E42-G45 PolarHBondContact O-N 3.2Å; E42-S374 WeakPolarHBondContact OE1-CB 3.45Å
43E85.1Confident89.3Confident55 Ų5525.5 Ų25.526%0.25715%0.153SC..Hα-helixtrans-69.6-25.7179.2-71.4-175.4169.900114.2A39 L41 G45 M221 S228 K430A39-E43 WeakPolarHBondContact O-CB 3.31Å; A39-E43 WeakPolarHBondContact O-CG 3.45Å; A39-E43 PolarHBondContact O-N 2.99Å; L41-E43 VanDerWaalsContact C-N 3.3Å; L41-E43 PolarHBondContact O-N 2.99Å; E43-G45 PolarHBondContact O-N 2.86Å; E43-M221 HydrophobicContact CB-CG 4.02Å; E43-M221 HydrophobicContact CB-SD 4.44Å; E43-M221 WeakPolarHBondContact O-CE 3.5Å; E43-S228 PolarHBondContact OE1-OG 3.37Å; E43-S228 VanDerWaalsContact OE1-OG 3.05Å; E43-S228 WeakPolarHBondContact OE2-CB 3.34Å; E43-S228 PolarHBondContact OE2-OG 3.47Å; E43-K430 WeakPolarHBondContact OE1-CE 3.31Å; E43-K430 IonicContact OE1-NZ 2.58Å; E43-K430 PolarHBondContact OE1-NZ 2.66Å; E43-K430 IonicContact OE2-NZ 3.4Å; E43-K430 PolarHBondContact OE2-NZ 2.72Å
44N87Confident89.3Confident2 Ų225.6 Ų25.61%0.01115%0.153CC..THydrogen-bonded Turntrans-82.1-1.2172.6-153.950.6000113I40 L41 E42 T49 F54 D218 K220I40-N44 PolarHBondContact O-N 3.39Å; L41-N44 PolarHBondContact O-N 2.92Å; E42-N44 VanDerWaalsContact C-N 3.32Å; E42-N44 PolarHBondContact O-N 3.49Å; N44-T49 PolarHBondContact ND2-OG1 3.16Å; N44-T49 WeakPolarHBondContact O-CB 3.42Å; N44-T49 PolarHBondContact O-OG1 3.4Å; N44-F54 HydrophobicContact CB-CE1 4.03Å; N44-F54 HydrophobicContact CB-CE2 3.83Å; N44-F54 HydrophobicContact CB-CZ 3.45Å; N44-F54 VanDerWaalsContact CB-CZ 3.45Å; N44-F54 VanDerWaalsContact CG-CZ 3.43Å; N44-F54 VanDerWaalsContact OD1-CE2 3.3Å; N44-F54 WeakPolarHBondContact OD1-CE2 3.48Å; N44-D218 PolarHBondContact ND2-O 2.96Å; N44-D218 PolarHBondContact OD1-O 2.96Å; N44-K220 WeakPolarHBondContact O-CD 3.36Å; N44-K220 PolarHBondContact O-NZ 3.34Å; N44-K220 PolarHBondContact OD1-N 3.33Å; N44-K220 VanDerWaalsContact OD1-N 3.12Å
45G84Confident89.4Confident47 Ų4725.7 Ų25.749%0.48515%0.154SC..THydrogen-bonded Turntrans91.923.9179.600000114.6L41 E42 E43 T49L41-G45 PolarHBondContact O-N 3.23Å; E42-G45 PolarHBondContact O-N 3.2Å; E43-G45 PolarHBondContact O-N 2.86Å; G45-T49 WeakPolarHBondContact O-CG2 3.16Å
46G85.5Confident89.6Confident25 Ų2525.9 Ų25.926%0.25816%0.155SC..SBendtrans93.6-176.1174.700000114.7L41 S48 T49 V50L41-G46 WeakPolarHBondContact O-CA 3.3Å; L41-G46 PolarHBondContact O-N 3.4Å; G46-S48 VanDerWaalsContact C-N 3.33Å; G46-S48 PolarHBondContact O-N 3.29Å; G46-T49 PolarHBondContact O-N 2.91Å; G46-T49 PolarHBondContact O-OG1 2.92Å; G46-V50 WeakPolarHBondContact O-CG2 3.38Å
47L86.6Confident89.7Confident8 Ų825.9 Ų25.94%0.04216%0.155CC..G310 helixtrans-64.9-33.3-172.1-175.962.7000113.5T49 V50 I273 I282 E283 L288L47-T49 PolarHBondContact O-N 3.34Å; L47-V50 PolarHBondContact O-N 3.26Å; L47-I273 HydrophobicContact CD1-CB 4.46Å; L47-I273 HydrophobicContact CD1-CG2 3.71Å; L47-I282 HydrophobicContact CD2-CB 4.39Å; L47-I282 HydrophobicContact CD2-CG2 3.72Å; L47-E283 HydrophobicContact CB-CG 4.22Å; L47-E283 HydrophobicContact CD2-CG 3.95Å; L47-E283 HydrophobicContact CG-CG 4.13Å; L47-L288 HydrophobicContact CB-CD2 4.16Å; L47-L288 HydrophobicContact CD2-CD2 4.11Å
48S83.2Confident89.7Confident68 Ų6825.8 Ų25.848%0.47615%0.154SC..G310 helixtrans-67.4-22.4-175.359.90000113.9G46G46-S48 VanDerWaalsContact C-N 3.33Å; G46-S48 PolarHBondContact O-N 3.29Å
49T84.4Confident89.9Confident34 Ų3426 Ų2621%0.20916%0.156CC..G310 helixtrans-94.3-9.8-174.366.60000113N44 G45 G46 L47N44-T49 PolarHBondContact ND2-OG1 3.16Å; N44-T49 WeakPolarHBondContact O-CB 3.42Å; N44-T49 PolarHBondContact O-OG1 3.4Å; G45-T49 WeakPolarHBondContact O-CG2 3.16Å; G46-T49 PolarHBondContact O-N 2.91Å; G46-T49 PolarHBondContact O-OG1 2.92Å; L47-T49 PolarHBondContact O-N 3.34Å
50V88.4Confident90.2Very high2 Ų225.9 Ų25.91%0.01215%0.154CC..  trans-82131-169.3168.10000110.6L41 G46 L47 F54 V55 I273 K277L41-V50 HydrophobicContact CD2-CG2 3.52Å; G46-V50 WeakPolarHBondContact O-CG2 3.38Å; L47-V50 PolarHBondContact O-N 3.26Å; V50-F54 HydrophobicContact CB-CD1 4.43Å; V50-F54 HydrophobicContact CG1-CD1 3.88Å; V50-F54 HydrophobicContact CG2-CD1 4.11Å; V50-F54 HydrophobicContact CG2-CE1 4.25Å; V50-V55 HydrophobicContact CG1-CG2 3.13Å; V50-I273 HydrophobicContact CG1-CG2 4.08Å; V50-K277 VanDerWaalsContact O-CD 3.25Å; V50-K277 WeakPolarHBondContact O-CD 3.46Å; V50-K277 WeakPolarHBondContact O-CE 3.39Å; V50-K277 PolarHBondContact O-NZ 3.22Å
51T91.3Very high90.4Very high30 Ų3026.4 Ų26.418%0.18416%0.157CC..  trans-101.3166.9173.1690000111.4D53 F54 V55 D218T51-D53 VanDerWaalsContact C-N 3.27Å; T51-D53 PolarHBondContact O-N 3.39Å; T51-F54 WeakPolarHBondContact O-CB 3.49Å; T51-F54 PolarHBondContact O-N 3.42Å; T51-F54 WeakPolarHBondContact OG1-CB 3.48Å; T51-F54 PolarHBondContact OG1-N 3.35Å; T51-F54 VanDerWaalsContact OG1-N 3.13Å; T51-V55 PolarHBondContact O-N 2.89Å; T51-V55 VanDerWaalsContact O-N 3.1Å; T51-D218 VanDerWaalsContact CB-OD2 3.26Å; T51-D218 WeakPolarHBondContact CB-OD2 3.44Å; T51-D218 HydrophobicContact CG2-CB 4.04Å; T51-D218 VanDerWaalsContact CG2-CG 3.42Å; T51-D218 VanDerWaalsContact CG2-OD2 3.26Å; T51-D218 WeakPolarHBondContact CG2-OD2 3.44Å; T51-D218 WeakPolarHBondContact OG1-CB 3.1Å; T51-D218 VanDerWaalsContact OG1-CG 3.25Å; T51-D218 PolarHBondContact OG1-OD2 3.37Å
52K91.5Very high90.6Very high96 Ų9626.1 Ų26.142%0.41716%0.156SC..Hα-helixtrans-59.8-42.4176-176.4168.1-179.6131.60111.6F54 V55 L56 D198 S200 L274K52-F54 VanDerWaalsContact C-N 3.32Å; K52-F54 PolarHBondContact O-N 2.94Å; K52-V55 PolarHBondContact O-N 3.38Å; K52-L56 HydrophobicContact CG-CD1 4.12Å; K52-L56 HydrophobicContact CG-CG 4.44Å; K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 2.99Å; K52-L56 VanDerWaalsContact O-N 3.07Å; K52-D198 IonicContact NZ-OD1 3.49Å; K52-D198 PolarHBondContact NZ-OD1 3.25Å; K52-D198 IonicContact NZ-OD2 2.74Å; K52-D198 PolarHBondContact NZ-OD2 2.79Å; K52-S200 WeakPolarHBondContact CE-OG 2.78Å; K52-S200 PolarHBondContact NZ-OG 3.44Å; K52-L274 HydrophobicContact CB-CD2 4.11Å; K52-L274 HydrophobicContact CG-CD2 4.1Å
53D91.9Very high91.1Very high70 Ų7024.1 Ų24.137%0.37415%0.146SC..Hα-helixtrans-66.3-35.7177.8-65.1-31000111.7T51 G57T51-D53 VanDerWaalsContact C-N 3.27Å; T51-D53 PolarHBondContact O-N 3.39Å; D53-G57 PolarHBondContact O-N 3.33Å
54F93.9Very high91.6Very high2 Ų224.9 Ų24.91%0.00915%0.146CC..Hα-helixtrans-58.6-52.6172.3-177-87.2000112.4I40 N44 V50 T51 K52 G57 A58 L213 N219 I225I40-F54 HydrophobicContact CG2-CE1 3.74Å; I40-F54 HydrophobicContact CG2-CZ 3.87Å; N44-F54 HydrophobicContact CB-CE1 4.03Å; N44-F54 HydrophobicContact CB-CE2 3.83Å; N44-F54 HydrophobicContact CB-CZ 3.45Å; N44-F54 VanDerWaalsContact CB-CZ 3.45Å; N44-F54 VanDerWaalsContact CG-CZ 3.43Å; N44-F54 VanDerWaalsContact OD1-CE2 3.3Å; N44-F54 WeakPolarHBondContact OD1-CE2 3.48Å; V50-F54 HydrophobicContact CB-CD1 4.43Å; V50-F54 HydrophobicContact CG1-CD1 3.88Å; V50-F54 HydrophobicContact CG2-CD1 4.11Å; V50-F54 HydrophobicContact CG2-CE1 4.25Å; T51-F54 WeakPolarHBondContact O-CB 3.49Å; T51-F54 PolarHBondContact O-N 3.42Å; T51-F54 WeakPolarHBondContact OG1-CB 3.48Å; T51-F54 PolarHBondContact OG1-N 3.35Å; T51-F54 VanDerWaalsContact OG1-N 3.13Å; K52-F54 VanDerWaalsContact C-N 3.32Å; K52-F54 PolarHBondContact O-N 2.94Å; F54-G57 PolarHBondContact O-N 2.95Å; F54-A58 WeakPolarHBondContact O-CB 3.18Å; F54-A58 PolarHBondContact O-N 3.07Å; F54-L213 HydrophobicContact CB-CD1 4.31Å; F54-L213 HydrophobicContact CD2-CD1 3.79Å; F54-L213 HydrophobicContact CE2-CD1 4.46Å; F54-L213 HydrophobicContact CG-CD1 4.3Å; F54-N219 HydrophobicContact CD2-CB 4.24Å; F54-N219 HydrophobicContact CE2-CB 4.28Å; F54-I225 HydrophobicContact CE2-CD1 3.54Å; F54-I225 HydrophobicContact CZ-CD1 3.52Å
55V93.8Very high92Very high2 Ų225.1 Ų25.11%0.01215%0.148CC..Hα-helixtrans-64.4-47.5-177.5-177.10000111.4V50 T51 K52 G57 A58 V59 A270 I273 L274V50-V55 HydrophobicContact CG1-CG2 3.13Å; T51-V55 PolarHBondContact O-N 2.89Å; T51-V55 VanDerWaalsContact O-N 3.1Å; K52-V55 PolarHBondContact O-N 3.38Å; V55-G57 VanDerWaalsContact C-N 3.29Å; V55-G57 PolarHBondContact O-N 3.28Å; V55-A58 PolarHBondContact O-N 2.75Å; V55-V59 WeakPolarHBondContact O-CG2 3.43Å; V55-V59 PolarHBondContact O-N 2.97Å; V55-A270 HydrophobicContact CG1-CB 3.4Å; V55-I273 HydrophobicContact CG2-CG2 3.71Å; V55-L274 HydrophobicContact CB-CD2 3.87Å; V55-L274 HydrophobicContact CB-CG 4.18Å; V55-L274 HydrophobicContact CG1-CD1 4.43Å; V55-L274 HydrophobicContact CG1-CD2 4.38Å; V55-L274 HydrophobicContact CG1-CG 4.13Å; V55-L274 HydrophobicContact CG2-CD2 3.7Å; V55-L274 HydrophobicContact CG2-CG 4.22Å
56L94.7Very high92.6Very high4 Ų423 Ų232%0.02113%0.125CC..Hα-helixtrans-61.6-41.3179.7-66.8-178.4000111.2K52 S60 S200 V201 A204 Y209K52-L56 HydrophobicContact CG-CD1 4.12Å; K52-L56 HydrophobicContact CG-CG 4.44Å; K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 2.99Å; K52-L56 VanDerWaalsContact O-N 3.07Å; L56-S60 VanDerWaalsContact O-CB 3.24Å; L56-S60 WeakPolarHBondContact O-CB 3.17Å; L56-S60 PolarHBondContact O-N 2.88Å; L56-S200 WeakPolarHBondContact CD2-O 3.02Å; L56-V201 HydrophobicContact CD2-CG1 4.39Å; L56-A204 WeakPolarHBondContact O-CB 3.37Å; L56-Y209 HydrophobicContact CB-CD1 3.84Å; L56-Y209 HydrophobicContact CB-CE1 4.3Å; L56-Y209 HydrophobicContact CB-CG 4.36Å; L56-Y209 HydrophobicContact CD1-CD1 4.3Å; L56-Y209 HydrophobicContact CD1-CE1 3.9Å
57G94.9Very high93.1Very high0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-61.9-42.5174.200000113.6D53 F54 V55 S60 L61 Y209D53-G57 PolarHBondContact O-N 3.33Å; F54-G57 PolarHBondContact O-N 2.95Å; V55-G57 VanDerWaalsContact C-N 3.29Å; V55-G57 PolarHBondContact O-N 3.28Å; G57-S60 WeakPolarHBondContact O-CB 3.42Å; G57-S60 PolarHBondContact O-N 2.94Å; G57-L61 WeakPolarHBondContact O-CG 2.97Å; G57-L61 PolarHBondContact O-N 3.46Å; G57-Y209 WeakPolarHBondContact CA-O 3.4Å
58A94.8Very high93.5Very high0 Ų025.4 Ų25.40%013%0.131CC..Hα-helixtrans-67.7-45.8-177.200000111.3I40 F54 V55 S60 L61 V62 L213I40-A58 HydrophobicContact CD1-CB 4.44Å; I40-A58 HydrophobicContact CG2-CB 3.87Å; F54-A58 WeakPolarHBondContact O-CB 3.18Å; F54-A58 PolarHBondContact O-N 3.07Å; V55-A58 PolarHBondContact O-N 2.75Å; A58-S60 VanDerWaalsContact C-N 3.27Å; A58-S60 PolarHBondContact O-N 3.08Å; A58-L61 PolarHBondContact O-N 2.97Å; A58-V62 WeakPolarHBondContact O-CG2 3.28Å; A58-V62 PolarHBondContact O-N 2.86Å; A58-L213 HydrophobicContact CB-CD2 4.1Å
59V95.9Very high94.1Very high10 Ų1022.1 Ų22.16%0.06111%0.109CC..Hα-helixtrans-63-38.1173.8177.90000110.9V55 V62 F63 A204 A270V55-V59 WeakPolarHBondContact O-CG2 3.43Å; V55-V59 PolarHBondContact O-N 2.97Å; V59-V62 PolarHBondContact O-N 3.3Å; V59-F63 WeakPolarHBondContact O-CB 3.18Å; V59-F63 PolarHBondContact O-N 3.01Å; V59-A204 HydrophobicContact CB-CB 3.83Å; V59-A204 HydrophobicContact CG1-CB 3.71Å; V59-A270 HydrophobicContact CG2-CB 3.38Å
60S96.5Very high94.6Very high0 Ų020.5 Ų20.50%010%0.099CC..Hα-helixtrans-60.9-46.4175.9-167.80000111.1L56 G57 A58 F63 W64 A204 N206 A210L56-S60 VanDerWaalsContact O-CB 3.24Å; L56-S60 WeakPolarHBondContact O-CB 3.17Å; L56-S60 PolarHBondContact O-N 2.88Å; G57-S60 WeakPolarHBondContact O-CB 3.42Å; G57-S60 PolarHBondContact O-N 2.94Å; A58-S60 VanDerWaalsContact C-N 3.27Å; A58-S60 PolarHBondContact O-N 3.08Å; S60-F63 PolarHBondContact O-N 3.18Å; S60-W64 VanDerWaalsContact O-CD1 3.24Å; S60-W64 PolarHBondContact O-N 2.67Å; S60-A204 WeakPolarHBondContact CA-O 3.48Å; S60-A204 WeakPolarHBondContact CB-O 3.2Å; S60-A204 PolarHBondContact OG-O 3.38Å; S60-N206 PolarHBondContact OG-O 3.48Å; S60-N206 VanDerWaalsContact OG-O 3.05Å; S60-A210 VanDerWaalsContact OG-CB 3.31Å; S60-A210 WeakPolarHBondContact OG-CB 3.43Å; S60-A210 PolarHBondContact OG-N 3.01Å; S60-A210 VanDerWaalsContact OG-N 3.16Å
61L96.1Very high95Very high12 Ų1221.5 Ų21.56%0.06311%0.105CC..Hα-helixtrans-61.8-44.4176.4-77.4166.9000111.4G57 A58 T65 A210 L213 L214 I225 L226 I229G57-L61 WeakPolarHBondContact O-CG 2.97Å; G57-L61 PolarHBondContact O-N 3.46Å; A58-L61 PolarHBondContact O-N 2.97Å; L61-T65 WeakPolarHBondContact O-CB 2.99Å; L61-T65 PolarHBondContact O-N 3.23Å; L61-T65 PolarHBondContact O-OG1 3.18Å; L61-A210 HydrophobicContact CB-CB 4.44Å; L61-A210 HydrophobicContact CD2-CB 3.65Å; L61-A210 HydrophobicContact CG-CB 3.72Å; L61-L213 HydrophobicContact CD1-CB 4.4Å; L61-L213 HydrophobicContact CD1-CD2 3.79Å; L61-L213 HydrophobicContact CD1-CG 4.35Å; L61-L214 HydrophobicContact CD1-CD2 3.93Å; L61-L214 HydrophobicContact CD1-CG 4.3Å; L61-L214 HydrophobicContact CD2-CD1 4.21Å; L61-L214 HydrophobicContact CD2-CD2 4.24Å; L61-L214 HydrophobicContact CD2-CG 4.21Å; L61-I225 HydrophobicContact CD1-CG2 4.39Å; L61-L226 HydrophobicContact CD1-CD2 4.49Å; L61-L226 HydrophobicContact CD2-CD2 3.95Å; L61-I229 HydrophobicContact CB-CD1 3.53Å; L61-I229 HydrophobicContact CB-CG1 4.01Å; L61-I229 HydrophobicContact CB-CG2 3.94Å; L61-I229 HydrophobicContact CD1-CD1 3.34Å; L61-I229 HydrophobicContact CG-CD1 3.97Å
62V96.1Very high95.2Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-58.1-51175.1168.90000111V36 I40 A58 V59 W64 T65 V66 I229 A232 M263 Y266V36-V62 HydrophobicContact CG1-CG2 3.96Å; I40-V62 HydrophobicContact CD1-CG2 4.01Å; A58-V62 WeakPolarHBondContact O-CG2 3.28Å; A58-V62 PolarHBondContact O-N 2.86Å; V59-V62 PolarHBondContact O-N 3.3Å; V62-W64 PolarHBondContact O-N 3.37Å; V62-T65 PolarHBondContact O-N 2.83Å; V62-V66 WeakPolarHBondContact O-CG2 3.28Å; V62-V66 PolarHBondContact O-N 3.18Å; V62-I229 HydrophobicContact CG2-CG1 4.35Å; V62-I229 HydrophobicContact CG2-CG2 4.22Å; V62-A232 HydrophobicContact CG1-CB 3.75Å; V62-A232 HydrophobicContact CG2-CB 4.43Å; V62-M263 HydrophobicContact CG1-CE 4.47Å; V62-Y266 HydrophobicContact CG1-CD1 4.32Å; V62-Y266 HydrophobicContact CG1-CD2 3.62Å; V62-Y266 HydrophobicContact CG1-CE1 4.35Å; V62-Y266 HydrophobicContact CG1-CE2 3.63Å; V62-Y266 HydrophobicContact CG1-CG 3.99Å
63F96.5Very high95.4Very high40 Ų4017.4 Ų17.418%0.1759%0.088CC..Hα-helixtrans-56.4-53.1179.5175-91.4000111.8V59 S60 T65 V66 M67 L205 M263V59-F63 WeakPolarHBondContact O-CB 3.18Å; V59-F63 PolarHBondContact O-N 3.01Å; S60-F63 PolarHBondContact O-N 3.18Å; F63-T65 VanDerWaalsContact C-N 3.33Å; F63-T65 PolarHBondContact O-N 3.29Å; F63-V66 PolarHBondContact O-N 2.66Å; F63-M67 WeakPolarHBondContact O-CB 3.32Å; F63-M67 PolarHBondContact O-N 2.94Å; F63-L205 HydrophobicContact CD1-CD2 4.26Å; F63-L205 HydrophobicContact CD2-CD2 3.5Å; F63-L205 VanDerWaalsContact CD2-CD2 3.5Å; F63-L205 HydrophobicContact CE1-CD2 4.13Å; F63-L205 HydrophobicContact CE2-CD2 3.37Å; F63-L205 HydrophobicContact CG-CD2 3.98Å; F63-L205 HydrophobicContact CZ-CD2 3.72Å; F63-M263 HydrophobicContact CB-SD 3.95Å; F63-M263 HydrophobicContact CD2-CG 3.77Å; F63-M263 HydrophobicContact CD2-SD 3.5Å; F63-M263 VanDerWaalsContact CD2-SD 3.5Å; F63-M263 HydrophobicContact CE2-CG 4.19Å; F63-M263 HydrophobicContact CE2-SD 4.44Å; F63-M263 HydrophobicContact CG-SD 4.17Å
64W96.4Very high95.5Very high70 Ų7014.1 Ų14.127%0.2657%0.07SC..Hα-helixtrans-70.2-30.3-177.2-76.7102.9000112.6S60 V62 M67 L68 L205 P207S60-W64 VanDerWaalsContact O-CD1 3.24Å; S60-W64 PolarHBondContact O-N 2.67Å; V62-W64 PolarHBondContact O-N 3.37Å; W64-M67 HydrophobicContact CE3-CE 3.77Å; W64-M67 HydrophobicContact CH2-CE 4.32Å; W64-M67 HydrophobicContact CZ3-CE 3.34Å; W64-M67 PolarHBondContact O-N 3.47Å; W64-L68 VanDerWaalsContact O-CB 3.31Å; W64-L68 WeakPolarHBondContact O-CB 3.5Å; W64-L68 WeakPolarHBondContact O-CG 3.26Å; W64-L68 PolarHBondContact O-N 3.18Å; W64-L205 WeakPolarHBondContact CZ2-O 3.21Å; W64-L205 PolarHBondContact NE1-O 2.85Å; W64-P207 HydrophobicContact CD2-CB 4.12Å; W64-P207 HydrophobicContact CG-CB 4.29Å; W64-P207 HydrophobicContact CZ2-CB 4.16Å; W64-P207 HydrophobicContact CZ2-CG 3.92Å
65T95.6Very high95.5Very high8 Ų814.2 Ų14.25%0.0497%0.071CC..Hα-helixtrans-66.6-48.2174.6-57.10000111.1L61 V62 F63 M67 L68 L69 I229 T233 F423L61-T65 WeakPolarHBondContact O-CB 2.99Å; L61-T65 PolarHBondContact O-N 3.23Å; L61-T65 PolarHBondContact O-OG1 3.18Å; V62-T65 PolarHBondContact O-N 2.83Å; F63-T65 VanDerWaalsContact C-N 3.33Å; F63-T65 PolarHBondContact O-N 3.29Å; T65-M67 VanDerWaalsContact C-N 3.34Å; T65-M67 PolarHBondContact O-N 3.01Å; T65-L68 PolarHBondContact O-N 3.43Å; T65-L69 HydrophobicContact CG2-CD1 3.87Å; T65-L69 WeakPolarHBondContact O-CB 3.39Å; T65-L69 PolarHBondContact O-N 2.85Å; T65-I229 HydrophobicContact CG2-CG2 4.36Å; T65-I229 WeakPolarHBondContact OG1-CG2 3.47Å; T65-T233 HydrophobicContact CG2-CG2 3.72Å; T65-F423 HydrophobicContact CG2-CE1 4.08Å; T65-F423 HydrophobicContact CG2-CE2 3.83Å; T65-F423 HydrophobicContact CG2-CZ 3.36Å; T65-F423 WeakPolarHBondContact OG1-CZ 3.42Å
66V96.2Very high95.4Very high1 Ų118 Ų181%0.0069%0.09CC..Iπ-helixtrans-64.7-37.7175.6177.40000111.6V62 F63 T70 T71 A232 T233 W255 L259 M263V62-V66 WeakPolarHBondContact O-CG2 3.28Å; V62-V66 PolarHBondContact O-N 3.18Å; F63-V66 PolarHBondContact O-N 2.66Å; V66-T70 WeakPolarHBondContact O-CA 3.49Å; V66-T70 VanDerWaalsContact O-CB 3.23Å; V66-T70 WeakPolarHBondContact O-CB 3.38Å; V66-T70 PolarHBondContact O-N 2.82Å; V66-T70 VanDerWaalsContact O-N 3.07Å; V66-T71 PolarHBondContact O-N 3.18Å; V66-T71 VanDerWaalsContact O-N 3.08Å; V66-A232 HydrophobicContact CG2-CB 3.95Å; V66-T233 HydrophobicContact CB-CG2 4.38Å; V66-T233 HydrophobicContact CG2-CG2 3.85Å; V66-W255 HydrophobicContact CG1-CH2 3.83Å; V66-W255 HydrophobicContact CG1-CZ2 3.91Å; V66-L259 HydrophobicContact CG1-CD1 3.61Å; V66-M263 HydrophobicContact CB-CE 4.23Å; V66-M263 HydrophobicContact CG1-CE 4.26Å; V66-M263 HydrophobicContact CG2-CE 4.14Å
67M96Very high95.3Very high48 Ų4819.8 Ų19.824%0.23610%0.1CC..Iπ-helixtrans-64.9-51.5176.8-155.6-69.3-79.100110.6F63 W64 T65 T71 V72F63-M67 WeakPolarHBondContact O-CB 3.32Å; F63-M67 PolarHBondContact O-N 2.94Å; W64-M67 HydrophobicContact CE3-CE 3.77Å; W64-M67 HydrophobicContact CH2-CE 4.32Å; W64-M67 HydrophobicContact CZ3-CE 3.34Å; W64-M67 PolarHBondContact O-N 3.47Å; T65-M67 VanDerWaalsContact C-N 3.34Å; T65-M67 PolarHBondContact O-N 3.01Å; M67-T71 WeakPolarHBondContact O-CA 3.43Å; M67-T71 WeakPolarHBondContact O-CB 3.28Å; M67-T71 PolarHBondContact O-N 2.91Å; M67-V72 HydrophobicContact CE-CG2 4.38Å; M67-V72 PolarHBondContact O-N 2.75Å; M67-V72 HydrophobicContact SD-CG2 3.67Å
68L96.1Very high95.3Very high36 Ų3619.8 Ų19.819%0.18810%0.1CC..Iπ-helixtrans-71.3-50.7-175.9-66.4172.9000112.5W64 T65 V72 K73 F415 F416 L419W64-L68 VanDerWaalsContact O-CB 3.31Å; W64-L68 WeakPolarHBondContact O-CB 3.5Å; W64-L68 WeakPolarHBondContact O-CG 3.26Å; W64-L68 PolarHBondContact O-N 3.18Å; T65-L68 PolarHBondContact O-N 3.43Å; L68-V72 WeakPolarHBondContact O-CB 3.38Å; L68-V72 PolarHBondContact O-N 2.86Å; L68-K73 PolarHBondContact O-N 3.12Å; L68-F415 HydrophobicContact CD1-CZ 4Å; L68-F415 HydrophobicContact CD2-CE1 4.09Å; L68-F415 HydrophobicContact CD2-CZ 3.85Å; L68-F415 HydrophobicContact CG-CZ 4.45Å; L68-F416 VanDerWaalsContact O-CE1 3.3Å; L68-F416 WeakPolarHBondContact O-CE1 3.39Å; L68-L419 HydrophobicContact CB-CD1 4.33Å; L68-L419 HydrophobicContact CD1-CD1 3.71Å
69L95.4Very high95.1Very high0 Ų019.9 Ų19.90%010%0.1CC..Iπ-helixtrans-75.7-60.5-177.5-67.3179000111.2T65 K73 Y74 F230 T233 M388 F416 L419 E420 F423T65-L69 HydrophobicContact CG2-CD1 3.87Å; T65-L69 WeakPolarHBondContact O-CB 3.39Å; T65-L69 PolarHBondContact O-N 2.85Å; L69-K73 HydrophobicContact CD2-CD 4.5Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 WeakPolarHBondContact O-CB 2.98Å; L69-K73 PolarHBondContact O-N 2.8Å; L69-Y74 WeakPolarHBondContact O-CD2 3.29Å; L69-Y74 PolarHBondContact O-N 2.9Å; L69-F230 HydrophobicContact CD1-CD2 4.18Å; L69-F230 HydrophobicContact CD1-CE2 3.85Å; L69-T233 HydrophobicContact CB-CG2 4.26Å; L69-T233 HydrophobicContact CD1-CG2 4.31Å; L69-M388 HydrophobicContact CD1-SD 4.32Å; L69-F416 HydrophobicContact CD2-CD1 4.08Å; L69-F416 HydrophobicContact CD2-CE1 4.46Å; L69-L419 HydrophobicContact CD1-CD2 4.07Å; L69-L419 HydrophobicContact CD2-CD2 3.43Å; L69-L419 VanDerWaalsContact CD2-CD2 3.43Å; L69-L419 HydrophobicContact CG-CD2 3.77Å; L69-E420 HydrophobicContact CD2-CG 3.98Å; L69-F423 HydrophobicContact CD1-CD2 4.33Å; L69-F423 HydrophobicContact CD1-CE2 4.13Å
70T95Very high94.7Very high0 Ų027.7 Ų27.70%013%0.128CC..Iπ-helixtrans-71.9-48.5-172.9-42.30000111.7I29 V66 Y74 V75 A236 L239 W255I29-T70 HydrophobicContact CD1-CG2 3.84Å; V66-T70 WeakPolarHBondContact O-CA 3.49Å; V66-T70 VanDerWaalsContact O-CB 3.23Å; V66-T70 WeakPolarHBondContact O-CB 3.38Å; V66-T70 PolarHBondContact O-N 2.82Å; V66-T70 VanDerWaalsContact O-N 3.07Å; T70-Y74 WeakPolarHBondContact O-CB 3.48Å; T70-Y74 PolarHBondContact O-N 2.88Å; T70-V75 WeakPolarHBondContact O-CG2 3.49Å; T70-V75 PolarHBondContact O-N 2.8Å; T70-A236 HydrophobicContact CG2-CB 3.85Å; T70-L239 HydrophobicContact CG2-CD2 3.86Å; T70-W255 HydrophobicContact CG2-CE3 4.45Å; T70-W255 HydrophobicContact CG2-CH2 3.24Å; T70-W255 HydrophobicContact CG2-CZ2 3.57Å; T70-W255 HydrophobicContact CG2-CZ3 3.74Å
71T95.7Very high94.4Very high22 Ų2227.7 Ų27.714%0.13513%0.128CC..Iπ-helixtrans-76.4-57.9-176.3-46.60000111.6V66 M67 V75 L76 W255V66-T71 PolarHBondContact O-N 3.18Å; V66-T71 VanDerWaalsContact O-N 3.08Å; M67-T71 WeakPolarHBondContact O-CA 3.43Å; M67-T71 WeakPolarHBondContact O-CB 3.28Å; M67-T71 PolarHBondContact O-N 2.91Å; T71-V75 WeakPolarHBondContact O-CB 3.18Å; T71-V75 PolarHBondContact O-N 3.31Å; T71-L76 WeakPolarHBondContact O-CG 3.36Å; T71-L76 PolarHBondContact O-N 3.42Å; T71-W255 WeakPolarHBondContact OG1-CZ2 3.45Å; T71-W255 PolarHBondContact OG1-NE1 3.02Å
72V95.7Very high93.9Very high41 Ų4129.4 Ų29.425%0.24814%0.138CC..Iπ-helixtrans-74.3-52.9-173.8-176.90000111.5M67 L68 L76 I77 F416M67-V72 HydrophobicContact CE-CG2 4.38Å; M67-V72 PolarHBondContact O-N 2.75Å; M67-V72 HydrophobicContact SD-CG2 3.67Å; L68-V72 WeakPolarHBondContact O-CB 3.38Å; L68-V72 PolarHBondContact O-N 2.86Å; V72-L76 WeakPolarHBondContact O-CB 3.33Å; V72-I77 HydrophobicContact CG1-CD1 4.32Å; V72-I77 WeakPolarHBondContact O-CG1 3.38Å; V72-I77 PolarHBondContact O-N 3.47Å; V72-F416 HydrophobicContact CB-CZ 4.28Å; V72-F416 HydrophobicContact CG1-CZ 3.99Å
73K95.6Very high93.2Very high0 Ų030.6 Ų30.60%014%0.144CC..Iπ-helixtrans-69.2-55.1-176.9-159.8-17172.6170.30112L68 L69 I77 A78 L395 F416 E420L68-K73 PolarHBondContact O-N 3.12Å; L69-K73 HydrophobicContact CD2-CD 4.5Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 WeakPolarHBondContact O-CB 2.98Å; L69-K73 PolarHBondContact O-N 2.8Å; K73-I77 WeakPolarHBondContact O-CB 3.41Å; K73-I77 PolarHBondContact O-N 3.09Å; K73-A78 WeakPolarHBondContact O-CB 3.4Å; K73-A78 PolarHBondContact O-N 3.41Å; K73-L395 HydrophobicContact CG-CD1 4.48Å; K73-F416 HydrophobicContact CB-CD1 4.12Å; K73-F416 HydrophobicContact CB-CE1 3.67Å; K73-F416 HydrophobicContact CB-CE2 4.13Å; K73-F416 HydrophobicContact CB-CZ 3.67Å; K73-F416 HydrophobicContact CD-CB 4.42Å; K73-F416 HydrophobicContact CD-CD1 4.03Å; K73-F416 HydrophobicContact CD-CD2 4.47Å; K73-F416 HydrophobicContact CD-CE1 4.45Å; K73-F416 HydrophobicContact CD-CG 4.05Å; K73-F416 HydrophobicContact CG-CD1 4.16Å; K73-F416 HydrophobicContact CG-CD2 4.12Å; K73-F416 HydrophobicContact CG-CE1 4.16Å; K73-F416 HydrophobicContact CG-CE2 4.09Å; K73-F416 HydrophobicContact CG-CG 4.15Å; K73-F416 HydrophobicContact CG-CZ 4.12Å; K73-E420 WeakPolarHBondContact CD-OE1 3.25Å; K73-E420 WeakPolarHBondContact CE-OE1 3.47Å; K73-E420 IonicContact NZ-OE1 2.67Å; K73-E420 PolarHBondContact NZ-OE1 2.91Å
74Y94.5Very high92.3Very high1 Ų137.1 Ų37.10%0.00418%0.175CC..Iπ-helixtrans-82.3-57.2-171.7-78.5-75.5000112.9L69 T70 A78 L79 A236 E237 Y240 M388 T391L69-Y74 WeakPolarHBondContact O-CD2 3.29Å; L69-Y74 PolarHBondContact O-N 2.9Å; T70-Y74 WeakPolarHBondContact O-CB 3.48Å; T70-Y74 PolarHBondContact O-N 2.88Å; Y74-A78 HydrophobicContact CD1-CB 3.95Å; Y74-A78 WeakPolarHBondContact O-CB 3.49Å; Y74-A78 PolarHBondContact O-N 2.86Å; Y74-L79 PolarHBondContact O-N 2.89Å; Y74-A236 WeakPolarHBondContact CD1-O 3.42Å; Y74-A236 HydrophobicContact CD2-CB 3.65Å; Y74-A236 HydrophobicContact CE2-CB 3.88Å; Y74-A236 HydrophobicContact CG-CB 4.38Å; Y74-A236 VanDerWaalsContact CG-O 3.31Å; Y74-E237 HydrophobicContact CE1-CB 4.17Å; Y74-Y240 HydrophobicContact CD1-CG 4.49Å; Y74-M388 HydrophobicContact CE2-CE 4.02Å; Y74-M388 HydrophobicContact CE2-CG 4.39Å; Y74-M388 HydrophobicContact CE2-SD 3.95Å; Y74-M388 WeakPolarHBondContact OH-CG 3.4Å; Y74-T391 HydrophobicContact CE1-CG2 4.33Å
75V93.3Very high91.2Very high4 Ų434.6 Ų34.62%0.02417%0.171CC..Iπ-helixtrans-67.9-46.9-175.3174.10000111.7T70 T71 L79 L239 I251 H252 W255T70-V75 WeakPolarHBondContact O-CG2 3.49Å; T70-V75 PolarHBondContact O-N 2.8Å; T71-V75 WeakPolarHBondContact O-CB 3.18Å; T71-V75 PolarHBondContact O-N 3.31Å; V75-L79 HydrophobicContact CB-CD1 4.46Å; V75-L79 HydrophobicContact CG1-CD1 4.31Å; V75-L79 WeakPolarHBondContact O-CD1 3.41Å; V75-L239 HydrophobicContact CG2-CD2 3.61Å; V75-I251 HydrophobicContact CG2-CG2 4.49Å; V75-H252 WeakPolarHBondContact CG1-ND1 3.27Å; V75-H252 PolarHBondContact O-CE1 3.42Å; V75-W255 HydrophobicContact CG2-CB 4.4Å; V75-W255 HydrophobicContact CG2-CD2 4.15Å; V75-W255 HydrophobicContact CG2-CG 3.92Å
76L93.3Very high90.4Very high80 Ų8037.1 Ų37.142%0.41918%0.182SC..Iπ-helixtrans-84.6-36.2-174.5-61.9-179.8000114.4T71 V72 R80T71-L76 WeakPolarHBondContact O-CG 3.36Å; T71-L76 PolarHBondContact O-N 3.42Å; V72-L76 WeakPolarHBondContact O-CB 3.33Å; L76-R80 PolarHBondContact O-NE 3.28Å
77I92.7Very high89.9Confident43 Ų4337.1 Ų37.122%0.22118%0.182CC..Iπ-helixtrans-101.7-58.9-174.8-58.7168.1000111.4V72 K73 L79 R80 M412 F416V72-I77 HydrophobicContact CG1-CD1 4.32Å; V72-I77 WeakPolarHBondContact O-CG1 3.38Å; V72-I77 PolarHBondContact O-N 3.47Å; K73-I77 WeakPolarHBondContact O-CB 3.41Å; K73-I77 PolarHBondContact O-N 3.09Å; I77-L79 PolarHBondContact O-N 3.03Å; I77-R80 WeakPolarHBondContact O-CB 3.5Å; I77-R80 PolarHBondContact O-N 3.17Å; I77-R80 VanDerWaalsContact O-N 3.15Å; I77-M412 HydrophobicContact CD1-CG 4.36Å; I77-M412 HydrophobicContact CG2-CE 4.22Å; I77-F416 HydrophobicContact CD1-CE2 4.06Å
78A93Very high89.5Confident0 Ų035 Ų350%017%0.172CC..G310 helixtrans-64.8-41.5-170.700000112.9K73 Y74 R80 A81 Y240 L395K73-A78 WeakPolarHBondContact O-CB 3.4Å; K73-A78 PolarHBondContact O-N 3.41Å; Y74-A78 HydrophobicContact CD1-CB 3.95Å; Y74-A78 WeakPolarHBondContact O-CB 3.49Å; Y74-A78 PolarHBondContact O-N 2.86Å; A78-R80 PolarHBondContact O-N 3.29Å; A78-A81 WeakPolarHBondContact O-CB 3.36Å; A78-A81 PolarHBondContact O-N 2.78Å; A78-Y240 HydrophobicContact CB-CD2 3.86Å; A78-Y240 HydrophobicContact CB-CE2 4.16Å; A78-Y240 HydrophobicContact CB-CG 4.09Å; A78-Y240 WeakPolarHBondContact O-CE2 3.44Å; A78-L395 HydrophobicContact CB-CD1 4.02Å; A78-L395 HydrophobicContact CB-CD2 4.23Å
79L90.6Very high89.3Confident1 Ų133.4 Ų33.41%0.00516%0.164CC..G310 helixtrans-58.6-13.7176.8-71-178.9000114.6Y74 V75 I77 A81 L239 M243 I251Y74-L79 PolarHBondContact O-N 2.89Å; V75-L79 HydrophobicContact CB-CD1 4.46Å; V75-L79 HydrophobicContact CG1-CD1 4.31Å; V75-L79 WeakPolarHBondContact O-CD1 3.41Å; I77-L79 PolarHBondContact O-N 3.03Å; L79-A81 VanDerWaalsContact C-N 3.35Å; L79-L239 WeakPolarHBondContact CD2-O 3.24Å; L79-M243 HydrophobicContact CD2-CB 3.84Å; L79-M243 HydrophobicContact CD2-CG 4.3Å; L79-M243 HydrophobicContact CD2-SD 3.64Å; L79-I251 HydrophobicContact CD1-CB 4.05Å; L79-I251 HydrophobicContact CD1-CG2 3.71Å; L79-I251 HydrophobicContact CD2-CD1 4.02Å
80R89.2Confident89.2Confident174 Ų17433.4 Ų33.466%0.65716%0.164SC*.G310 helixtrans-82.3-14172.9-59.2-176.6-179.5-164.1-3.1113.2L76 I77 A78 D82 Y398L76-R80 PolarHBondContact O-NE 3.28Å; I77-R80 WeakPolarHBondContact O-CB 3.5Å; I77-R80 PolarHBondContact O-N 3.17Å; I77-R80 VanDerWaalsContact O-N 3.15Å; A78-R80 PolarHBondContact O-N 3.29Å; R80-D82 VanDerWaalsContact C-N 3.29Å; R80-D82 PolarHBondContact O-N 2.96Å; R80-Y398 PolarHBondContact O-OH 3.29Å
81A89.3Confident88.9Confident0 Ų033.6 Ų33.60%017%0.165CC..  trans-93.248.9179.600000111.3A78 L79 L92 L95 Y240 L395 Y398A78-A81 WeakPolarHBondContact O-CB 3.36Å; A78-A81 PolarHBondContact O-N 2.78Å; L79-A81 VanDerWaalsContact C-N 3.35Å; A81-L92 HydrophobicContact CB-CD1 3.84Å; A81-L95 HydrophobicContact CB-CD1 4.46Å; A81-L95 VanDerWaalsContact O-CD1 3.3Å; A81-L95 WeakPolarHBondContact O-CD1 3.13Å; A81-Y240 HydrophobicContact CB-CE2 4.42Å; A81-Y240 PolarHBondContact O-OH 2.83Å; A81-L395 HydrophobicContact CB-CD2 4.11Å; A81-Y398 HydrophobicContact CB-CD1 3.6Å; A81-Y398 HydrophobicContact CB-CD2 4.1Å; A81-Y398 HydrophobicContact CB-CE1 3.44Å; A81-Y398 VanDerWaalsContact CB-CE1 3.44Å; A81-Y398 HydrophobicContact CB-CE2 3.98Å; A81-Y398 HydrophobicContact CB-CG 3.92Å
82D85.6Confident88.7Confident48 Ų4832.5 Ų32.526%0.25716%0.159SC..  trans-83.4137.2179.468.2-69.5000112.8R80 G85 E86 M243 K248R80-D82 VanDerWaalsContact C-N 3.29Å; R80-D82 PolarHBondContact O-N 2.96Å; D82-G85 PolarHBondContact OD2-N 3.14Å; D82-E86 WeakPolarHBondContact CA-O 3.48Å; D82-M243 HydrophobicContact CB-CE 3.45Å; D82-M243 VanDerWaalsContact CB-CE 3.45Å; D82-M243 HydrophobicContact CB-SD 3.95Å; D82-K248 IonicContact OD1-NZ 3.35Å; D82-K248 PolarHBondContact OD1-NZ 2.85Å; D82-K248 IonicContact OD2-NZ 2.74Å
83N81.7Confident88.6Confident26 Ų2631.9 Ų31.914%0.13915%0.152CC..BIsolated β-bridgetrans-102.699.2172.8-177.726.9000109.2G85 E86 T94 L95N83-G85 PolarHBondContact O-N 3.41Å; N83-G85 VanDerWaalsContact O-N 3.11Å; N83-E86 PolarHBondContact N-O 2.84Å; N83-E86 WeakPolarHBondContact O-CB 3.16Å; N83-E86 PolarHBondContact O-N 3.14Å; N83-T94 WeakPolarHBondContact ND2-CG2 3.28Å; N83-L95 HydrophobicContact CB-CD1 4.24Å; N83-L95 HydrophobicContact CB-CD2 3.88Å; N83-L95 HydrophobicContact CB-CG 3.92Å
84H76.6Confident88.3Confident176 Ų17633.6 Ų33.682%0.81516%0.163SC*.THydrogen-bonded Turntrans56.324.9-175.9-60.178.1000114.2
85G73.5Confident88.1Confident18 Ų1835.9 Ų35.919%0.18618%0.175CC..THydrogen-bonded Turntrans97.2-13.9-175.900000114.5D82 N83 G244D82-G85 PolarHBondContact OD2-N 3.14Å; N83-G85 PolarHBondContact O-N 3.41Å; N83-G85 VanDerWaalsContact O-N 3.11Å; G85-G244 WeakPolarHBondContact O-CA 3.45Å; G85-G244 PolarHBondContact O-N 3.46Å
86E79.5Confident88.1Confident61 Ų6135.7 Ų35.729%0.28517%0.173SC..BIsolated β-bridgetrans-82.5151.1173.9-63.4-174.3158.300111.3D82 N83 M243D82-E86 WeakPolarHBondContact CA-O 3.48Å; N83-E86 PolarHBondContact N-O 2.84Å; N83-E86 WeakPolarHBondContact O-CB 3.16Å; N83-E86 PolarHBondContact O-N 3.14Å; E86-M243 WeakPolarHBondContact O-CE 3.33Å
87G84.9Confident87.9Confident0 Ų038.1 Ų38.10%018%0.177CC..  trans-136.7-175.5-179.200000112.6S91 Y240G87-S91 WeakPolarHBondContact O-CB 3.46Å; G87-S91 PolarHBondContact O-OG 2.99Å; G87-Y240 CarbonylContact C-O 3.51Å; G87-Y240 WeakPolarHBondContact CA-O 3.36Å
88G88.6Confident87.7Confident3 Ų345.2 Ų45.23%0.03121%0.206CC..SBendtrans98.3178.9-174.500000113.1L92 Y240G88-L92 VanDerWaalsContact O-CB 3.28Å; G88-L92 WeakPolarHBondContact O-CB 3.46Å; G88-L92 PolarHBondContact O-N 2.58Å; G88-Y240 VanDerWaalsContact C-CE1 3.45Å; G88-Y240 VanDerWaalsContact CA-CD1 3.42Å; G88-Y240 VanDerWaalsContact N-CD1 3.27Å; G88-Y240 PolarHBondContact N-O 3.45Å; G88-Y240 VanDerWaalsContact N-O 3.1Å; G88-Y240 WeakPolarHBondContact O-CE1 3.35Å
89I92.5Very high87.2Confident3 Ų347.2 Ų47.22%0.01523%0.226CC..Hα-helixtrans-71.3-37.7-166.6-161.9175.1000113.6L92 Y93 G110 L325 M390 L394I89-L92 PolarHBondContact O-N 3.32Å; I89-Y93 WeakPolarHBondContact O-CB 3.39Å; I89-Y93 PolarHBondContact O-N 3.33Å; I89-G110 VanDerWaalsContact CD1-CA 3.42Å; I89-L325 HydrophobicContact CG2-CD1 3.97Å; I89-M390 HydrophobicContact CD1-CB 4.1Å; I89-L394 HydrophobicContact CD1-CD1 4.14Å; I89-L394 HydrophobicContact CG1-CD1 3.57Å
90F91.9Very high87Confident1 Ų148 Ų480%0.00424%0.235CC..Hα-helixtrans-77.7-35177.5-69.2-50000112.2Y93 T94 A107 L325 E328 A329 L332 L334 M449F90-Y93 PolarHBondContact O-N 3.48Å; F90-T94 PolarHBondContact O-N 2.98Å; F90-T94 PolarHBondContact O-OG1 3.23Å; F90-A107 HydrophobicContact CD1-CB 4.36Å; F90-A107 HydrophobicContact CE1-CB 4.43Å; F90-A107 WeakPolarHBondContact CE1-O 3.43Å; F90-L325 HydrophobicContact CD2-CD1 3.41Å; F90-L325 VanDerWaalsContact CD2-CD1 3.41Å; F90-L325 HydrophobicContact CD2-CG 4.02Å; F90-L325 HydrophobicContact CE2-CD1 3.67Å; F90-L325 HydrophobicContact CE2-CG 3.89Å; F90-L325 HydrophobicContact CG-CD1 4.44Å; F90-E328 HydrophobicContact CB-CB 3.84Å; F90-E328 WeakPolarHBondContact CB-OE2 3.31Å; F90-E328 HydrophobicContact CD2-CB 4.23Å; F90-E328 HydrophobicContact CG-CB 4.46Å; F90-A329 HydrophobicContact CD2-CB 4.07Å; F90-A329 HydrophobicContact CE2-CB 3.66Å; F90-A329 HydrophobicContact CZ-CB 4.06Å; F90-L332 HydrophobicContact CB-CD1 3.67Å; F90-L332 HydrophobicContact CD1-CD1 3.68Å; F90-L332 HydrophobicContact CG-CD1 3.91Å; F90-L334 HydrophobicContact CD1-CD1 3.95Å; F90-L334 HydrophobicContact CE1-CD1 3.44Å; F90-L334 VanDerWaalsContact CE1-CD1 3.44Å; F90-L334 HydrophobicContact CZ-CD1 4.07Å; F90-M449 HydrophobicContact CE2-CE 4.18Å; F90-M449 HydrophobicContact CZ-CE 3.76Å; F90-M449 HydrophobicContact CZ-SD 4.1Å
91S88.3Confident86.9Confident3 Ų348.5 Ų48.52%0.02124%0.242CC..Hα-helixtrans-59-44.8166.7-81.20000112G87 T94 L95 E328G87-S91 WeakPolarHBondContact O-CB 3.46Å; G87-S91 PolarHBondContact O-OG 2.99Å; S91-T94 WeakPolarHBondContact O-CB 3.32Å; S91-T94 PolarHBondContact O-N 3.13Å; S91-L95 PolarHBondContact O-N 2.96Å; S91-E328 PolarHBondContact OG-OE1 2.97Å
92L92Very high87Confident0 Ų054.3 Ų54.30%027%0.265CS..Hα-helixtrans-61.6-45.5173.9-174.656000112A81 G88 I89 T94 L95 V96 Y240 T391 L394 L395 Y398A81-L92 HydrophobicContact CB-CD1 3.84Å; G88-L92 VanDerWaalsContact O-CB 3.28Å; G88-L92 WeakPolarHBondContact O-CB 3.46Å; G88-L92 PolarHBondContact O-N 2.58Å; I89-L92 PolarHBondContact O-N 3.32Å; L92-T94 VanDerWaalsContact C-N 3.26Å; L92-T94 PolarHBondContact O-N 3.41Å; L92-L95 WeakPolarHBondContact O-CB 3.3Å; L92-L95 PolarHBondContact O-N 2.9Å; L92-L95 VanDerWaalsContact O-N 3.14Å; L92-V96 WeakPolarHBondContact O-CG2 3.48Å; L92-V96 PolarHBondContact O-N 3.44Å; L92-V96 VanDerWaalsContact O-N 3.13Å; L92-Y240 HydrophobicContact CB-CE1 4.15Å; L92-Y240 WeakPolarHBondContact CB-OH 3.32Å; L92-Y240 HydrophobicContact CD2-CE1 4.3Å; L92-T391 HydrophobicContact CD2-CG2 4.21Å; L92-L394 HydrophobicContact CD2-CB 3.46Å; L92-L394 VanDerWaalsContact CD2-CB 3.46Å; L92-L394 HydrophobicContact CD2-CD1 4.47Å; L92-L394 HydrophobicContact CG-CB 3.87Å; L92-L395 HydrophobicContact CD1-CD2 4.1Å; L92-L395 HydrophobicContact CD2-CD2 3.92Å; L92-L395 HydrophobicContact CD2-CG 3.85Å; L92-Y398 HydrophobicContact CD1-CD2 4.45Å; L92-Y398 HydrophobicContact CD1-CG 4.15Å
93Y93.8Very high87.5Confident27 Ų2752 Ų5211%0.10625%0.252CS..Hα-helixtrans-56.4-41.8174.3170.9-104000111.7I89 F90 L95 V96 R97 L103 I104 A107 L332I89-Y93 WeakPolarHBondContact O-CB 3.39Å; I89-Y93 PolarHBondContact O-N 3.33Å; F90-Y93 PolarHBondContact O-N 3.48Å; Y93-L95 PolarHBondContact O-N 3.07Å; Y93-V96 CarbonylContact O-C 3.6Å; Y93-V96 PolarHBondContact O-N 3.03Å; Y93-V96 VanDerWaalsContact O-N 3.08Å; Y93-R97 HydrophobicContact CD2-CB 4.47Å; Y93-R97 HydrophobicContact CE1-CB 4.09Å; Y93-R97 HydrophobicContact CE2-CB 3.94Å; Y93-R97 WeakPolarHBondContact O-CA 3.36Å; Y93-R97 WeakPolarHBondContact O-CB 3.47Å; Y93-R97 PolarHBondContact O-N 2.57Å; Y93-L103 HydrophobicContact CD2-CB 4.17Å; Y93-L103 WeakPolarHBondContact CD2-O 3.48Å; Y93-L103 HydrophobicContact CE2-CB 4.05Å; Y93-I104 HydrophobicContact CD1-CD1 4Å; Y93-I104 HydrophobicContact CD2-CD1 4.38Å; Y93-I104 HydrophobicContact CE1-CD1 3.44Å; Y93-I104 VanDerWaalsContact CE1-CD1 3.44Å; Y93-I104 VanDerWaalsContact CE2-CA 3.5Å; Y93-I104 HydrophobicContact CE2-CB 3.85Å; Y93-I104 HydrophobicContact CE2-CD1 3.89Å; Y93-I104 HydrophobicContact CE2-CG1 4.47Å; Y93-I104 HydrophobicContact CG-CD1 4.43Å; Y93-A107 HydrophobicContact CD2-CB 3.89Å; Y93-A107 HydrophobicContact CG-CB 3.81Å; Y93-L332 HydrophobicContact CD1-CD1 3.7Å; Y93-L332 HydrophobicContact CD1-CD2 4.11Å; Y93-L332 HydrophobicContact CE1-CD1 4.24Å; Y93-L332 HydrophobicContact CE1-CD2 4.11Å
94T89.8Confident88.1Confident37 Ų3751.1 Ų51.123%0.22725%0.248CC..Hα-helixtrans-60.2-34.5179.2-58.80000112.3N83 F90 S91 L92 R97N83-T94 WeakPolarHBondContact ND2-CG2 3.28Å; F90-T94 PolarHBondContact O-N 2.98Å; F90-T94 PolarHBondContact O-OG1 3.23Å; S91-T94 WeakPolarHBondContact O-CB 3.32Å; S91-T94 PolarHBondContact O-N 3.13Å; L92-T94 VanDerWaalsContact C-N 3.26Å; L92-T94 PolarHBondContact O-N 3.41Å; T94-R97 WeakPolarHBondContact O-CG 3.46Å
95L89.4Confident89Confident49 Ų4946.2 Ų46.226%0.25723%0.23SC..Hα-helixtrans-70.4-41.5173.8-65173000112.1A81 N83 S91 L92 Y93 Y398 Q401A81-L95 HydrophobicContact CB-CD1 4.46Å; A81-L95 VanDerWaalsContact O-CD1 3.3Å; A81-L95 WeakPolarHBondContact O-CD1 3.13Å; N83-L95 HydrophobicContact CB-CD1 4.24Å; N83-L95 HydrophobicContact CB-CD2 3.88Å; N83-L95 HydrophobicContact CB-CG 3.92Å; S91-L95 PolarHBondContact O-N 2.96Å; L92-L95 WeakPolarHBondContact O-CB 3.3Å; L92-L95 PolarHBondContact O-N 2.9Å; L92-L95 VanDerWaalsContact O-N 3.14Å; Y93-L95 PolarHBondContact O-N 3.07Å; L95-Y398 HydrophobicContact CB-CD2 4.34Å; L95-Y398 HydrophobicContact CD1-CD2 4.15Å; L95-Y398 HydrophobicContact CD1-CE2 4Å; L95-Q401 PolarHBondContact O-OE1 3.27Å
96V93.2Very high90.1Very high0 Ų045.9 Ų45.90%022%0.224CC..Hα-helixtrans-94.3-9.7-171.8-56.20000115L92 Y93 K98 G99 L103 L394 H397 Y398 Q401L92-V96 WeakPolarHBondContact O-CG2 3.48Å; L92-V96 PolarHBondContact O-N 3.44Å; L92-V96 VanDerWaalsContact O-N 3.13Å; Y93-V96 CarbonylContact O-C 3.6Å; Y93-V96 PolarHBondContact O-N 3.03Å; Y93-V96 VanDerWaalsContact O-N 3.08Å; V96-K98 PolarHBondContact O-N 2.87Å; V96-G99 PolarHBondContact O-N 2.96Å; V96-L103 HydrophobicContact CB-CD1 4.11Å; V96-L103 HydrophobicContact CG2-CD1 3.92Å; V96-L103 WeakPolarHBondContact O-CD1 3.14Å; V96-L394 HydrophobicContact CG2-CD2 3.91Å; V96-H397 HydrophobicContact CB-CB 4.25Å; V96-H397 HydrophobicContact CG1-CB 4.24Å; V96-Y398 VanDerWaalsContact CG1-CA 3.48Å; V96-Q401 PolarHBondContact O-NE2 3.28Å
97R90.5Very high90.9Very high131 Ų13143 Ų4349%0.49421%0.211SC..G310 helixtrans-54.5-26.1-172.466.9-175.7176.9169.83114.7Y93 T94 G99 G100Y93-R97 HydrophobicContact CD2-CB 4.47Å; Y93-R97 HydrophobicContact CE1-CB 4.09Å; Y93-R97 HydrophobicContact CE2-CB 3.94Å; Y93-R97 WeakPolarHBondContact O-CA 3.36Å; Y93-R97 WeakPolarHBondContact O-CB 3.47Å; Y93-R97 PolarHBondContact O-N 2.57Å; T94-R97 WeakPolarHBondContact O-CG 3.46Å; R97-G99 PolarHBondContact O-N 3.41Å; R97-G100 PolarHBondContact O-N 2.78Å
98K87.1Confident91.5Very high192 Ų19243.4 Ų43.484%0.83521%0.213SC*.G310 helixtrans-66.6-22.7175.6-68.3-176.4178.3179.50112.9V96 G100V96-K98 PolarHBondContact O-N 2.87Å; K98-G100 VanDerWaalsContact C-N 3.33Å; K98-G100 PolarHBondContact O-N 2.84Å
99G83.4Confident91.9Very high41 Ų4145.8 Ų45.842%0.42323%0.225SC..G310 helixtrans-76.3-14.1-179.500000114.9V96 R97V96-G99 PolarHBondContact O-N 2.96Å; R97-G99 PolarHBondContact O-N 3.41Å
100G86.8Confident92Very high18 Ų1845.7 Ų45.719%0.18622%0.224CC..  trans159.2144.5174.700000113.9R97 K98 Y102 L103R97-G100 PolarHBondContact O-N 2.78Å; K98-G100 VanDerWaalsContact C-N 3.33Å; K98-G100 PolarHBondContact O-N 2.84Å; G100-Y102 PolarHBondContact O-N 2.93Å; G100-L103 WeakPolarHBondContact O-CB 3.31Å; G100-L103 PolarHBondContact O-N 2.87Å
101K86.1Confident92.2Very high184 Ų18445.6 Ų45.680%0.822%0.224SC*.G310 helixtrans-60.9-29.3178-64.4-173.9-179.9-175.10112.5L103 I104K101-L103 PolarHBondContact O-N 2.83Å; K101-I104 WeakPolarHBondContact O-CG2 3.31Å; K101-I104 PolarHBondContact O-N 2.98Å
102Y92.5Very high92.5Very high122 Ų12245.5 Ų45.548%0.47822%0.223SC..G310 helixtrans-64.1-21.4-179.666.4-91.9000113.7G100 I104 V105 P106 F393 H397G100-Y102 PolarHBondContact O-N 2.93Å; Y102-I104 PolarHBondContact O-N 3.35Å; Y102-I104 VanDerWaalsContact O-N 3.14Å; Y102-V105 WeakPolarHBondContact O-CB 3.32Å; Y102-V105 PolarHBondContact O-N 2.89Å; Y102-V105 VanDerWaalsContact O-N 3.11Å; Y102-P106 VanDerWaalsContact O-CD 3.28Å; Y102-P106 WeakPolarHBondContact O-CD 3.46Å; Y102-F393 HydrophobicContact CE2-CE1 4.29Å; Y102-F393 HydrophobicContact CE2-CZ 4.19Å; Y102-H397 AromaticContact CE2-NE2 3.74Å; Y102-H397 AromaticContact CZ-NE2 3.74Å; Y102-H397 PolarHBondContact OH-CD2 3.43Å; Y102-H397 PolarHBondContact OH-NE2 2.87Å
103L95Very high92.6Very high0 Ų045.6 Ų45.60%022%0.223CC..G310 helixtrans-66.4-14-179.7-64.1172.3000113.3Y93 V96 G100 K101 V105 P106 A107 F393 L394 H397Y93-L103 HydrophobicContact CD2-CB 4.17Å; Y93-L103 WeakPolarHBondContact CD2-O 3.48Å; Y93-L103 HydrophobicContact CE2-CB 4.05Å; V96-L103 HydrophobicContact CB-CD1 4.11Å; V96-L103 HydrophobicContact CG2-CD1 3.92Å; V96-L103 WeakPolarHBondContact O-CD1 3.14Å; G100-L103 WeakPolarHBondContact O-CB 3.31Å; G100-L103 PolarHBondContact O-N 2.87Å; K101-L103 PolarHBondContact O-N 2.83Å; L103-V105 VanDerWaalsContact C-N 3.29Å; L103-P106 WeakPolarHBondContact O-CD 3.24Å; L103-P106 WeakPolarHBondContact O-CG 3.5Å; L103-A107 PolarHBondContact O-N 3.14Å; L103-F393 HydrophobicContact CD2-CE1 3.9Å; L103-L394 HydrophobicContact CB-CD2 4.27Å; L103-L394 HydrophobicContact CD2-CD2 4.23Å; L103-H397 HydrophobicContact CD1-CB 4.4Å; L103-H397 HydrophobicContact CD2-CB 4.27Å
104I94.5Very high92.6Very high7 Ų745 Ų454%0.03622%0.222CC..Hα-helixtrans-69.1-30.2174-167.162.7000112.1Y93 K101 Y102 A107 M108 L334Y93-I104 HydrophobicContact CD1-CD1 4Å; Y93-I104 HydrophobicContact CD2-CD1 4.38Å; Y93-I104 HydrophobicContact CE1-CD1 3.44Å; Y93-I104 VanDerWaalsContact CE1-CD1 3.44Å; Y93-I104 VanDerWaalsContact CE2-CA 3.5Å; Y93-I104 HydrophobicContact CE2-CB 3.85Å; Y93-I104 HydrophobicContact CE2-CD1 3.89Å; Y93-I104 HydrophobicContact CE2-CG1 4.47Å; Y93-I104 HydrophobicContact CG-CD1 4.43Å; K101-I104 WeakPolarHBondContact O-CG2 3.31Å; K101-I104 PolarHBondContact O-N 2.98Å; Y102-I104 PolarHBondContact O-N 3.35Å; Y102-I104 VanDerWaalsContact O-N 3.14Å; I104-A107 PolarHBondContact O-N 2.89Å; I104-M108 HydrophobicContact CD1-CG 4.39Å; I104-M108 HydrophobicContact CG1-CE 4.16Å; I104-M108 HydrophobicContact CG1-CG 4.11Å; I104-M108 HydrophobicContact CG1-SD 4.22Å; I104-M108 HydrophobicContact CG2-CE 4.21Å; I104-M108 WeakPolarHBondContact O-CB 3.4Å; I104-M108 WeakPolarHBondContact O-CG 3.22Å; I104-M108 PolarHBondContact O-N 3.28Å; I104-L334 HydrophobicContact CD1-CD1 3.94Å; I104-L334 HydrophobicContact CD1-CD2 3.82Å; I104-L334 HydrophobicContact CD1-CG 4.41Å; I104-L334 HydrophobicContact CG1-CD2 4.14Å
105V95.8Very high92.7Very high74 Ų7443.9 Ų43.945%0.44822%0.215SC..Hα-helixtrans-61.8-56.1-178.61790000111.4Y102 L103 A107 M108 I109Y102-V105 WeakPolarHBondContact O-CB 3.32Å; Y102-V105 PolarHBondContact O-N 2.89Å; Y102-V105 VanDerWaalsContact O-N 3.11Å; L103-V105 VanDerWaalsContact C-N 3.29Å; V105-A107 VanDerWaalsContact C-N 3.27Å; V105-A107 PolarHBondContact O-N 3.19Å; V105-M108 PolarHBondContact O-N 3.1Å; V105-I109 HydrophobicContact CG1-CD1 3.83Å; V105-I109 WeakPolarHBondContact O-CG1 2.78Å; V105-I109 PolarHBondContact O-N 3.37Å
106P96.8Very high92.9Very high10 Ų1041.5 Ų41.57%0.06520%0.202CC..Hα-helixtrans-62.5-34.117624.2-34000112.4Y102 L103 I109 G110 M390 F393 L394Y102-P106 VanDerWaalsContact O-CD 3.28Å; Y102-P106 WeakPolarHBondContact O-CD 3.46Å; L103-P106 WeakPolarHBondContact O-CD 3.24Å; L103-P106 WeakPolarHBondContact O-CG 3.5Å; P106-I109 PolarHBondContact O-N 2.86Å; P106-G110 PolarHBondContact O-N 3.17Å; P106-M390 HydrophobicContact CB-CB 4.19Å; P106-M390 HydrophobicContact CB-CG 4.3Å; P106-M390 HydrophobicContact CB-SD 3.59Å; P106-M390 VanDerWaalsContact CB-SD 3.59Å; P106-M390 WeakPolarHBondContact O-CB 3.35Å; P106-M390 WeakPolarHBondContact O-CG 3.34Å; P106-F393 HydrophobicContact CB-CD1 4.01Å; P106-F393 HydrophobicContact CG-CD1 3.7Å; P106-F393 HydrophobicContact CG-CE1 3.88Å; P106-L394 HydrophobicContact CG-CD2 4Å; P106-L394 HydrophobicContact CG-CG 4.41Å
107A96.1Very high92.8Very high0 Ų041.5 Ų41.50%020%0.202CC..Hα-helixtrans-63.4-43.417600000112.5F90 Y93 L103 I104 V105 G111 L394F90-A107 HydrophobicContact CD1-CB 4.36Å; F90-A107 HydrophobicContact CE1-CB 4.43Å; F90-A107 WeakPolarHBondContact CE1-O 3.43Å; Y93-A107 HydrophobicContact CD2-CB 3.89Å; Y93-A107 HydrophobicContact CG-CB 3.81Å; L103-A107 PolarHBondContact O-N 3.14Å; I104-A107 PolarHBondContact O-N 2.89Å; V105-A107 VanDerWaalsContact C-N 3.27Å; V105-A107 PolarHBondContact O-N 3.19Å; A107-G111 WeakPolarHBondContact O-CA 2.99Å; A107-G111 PolarHBondContact O-N 3.13Å; A107-L394 HydrophobicContact CB-CD1 4.13Å
108M96.9Very high92.7Very high9 Ų935.3 Ų35.34%0.04418%0.179CC..Hα-helixtrans-66.4-43.2175-72.5-174.6-60.700111.7I104 V105 A112 L334 L446 M449 H453I104-M108 HydrophobicContact CD1-CG 4.39Å; I104-M108 HydrophobicContact CG1-CE 4.16Å; I104-M108 HydrophobicContact CG1-CG 4.11Å; I104-M108 HydrophobicContact CG1-SD 4.22Å; I104-M108 HydrophobicContact CG2-CE 4.21Å; I104-M108 WeakPolarHBondContact O-CB 3.4Å; I104-M108 WeakPolarHBondContact O-CG 3.22Å; I104-M108 PolarHBondContact O-N 3.28Å; V105-M108 PolarHBondContact O-N 3.1Å; M108-A112 WeakPolarHBondContact O-CB 3.36Å; M108-A112 PolarHBondContact O-N 3.13Å; M108-L334 HydrophobicContact CG-CD1 4.16Å; M108-L334 HydrophobicContact CG-CD2 4.18Å; M108-L334 HydrophobicContact SD-CD2 4.02Å; M108-L446 HydrophobicContact CB-CD1 3.64Å; M108-M449 HydrophobicContact CB-SD 4.4Å; M108-M449 HydrophobicContact CG-CB 4.33Å; M108-M449 HydrophobicContact CG-SD 4.5Å; M108-M449 HydrophobicContact SD-CB 4.17Å; M108-H453 HydrophobicContact SD-CB 4.07Å
109I97.2Very high93.1Very high54 Ų5426.4 Ų26.428%0.27714%0.141SC..Hα-helixtrans-62.1-52179.2-67.7168.6000110.4V105 P106 A112 A113 V386 M390 L446V105-I109 HydrophobicContact CG1-CD1 3.83Å; V105-I109 WeakPolarHBondContact O-CG1 2.78Å; V105-I109 PolarHBondContact O-N 3.37Å; P106-I109 PolarHBondContact O-N 2.86Å; I109-A112 PolarHBondContact O-N 2.88Å; I109-A113 WeakPolarHBondContact O-CB 3.1Å; I109-A113 PolarHBondContact O-N 2.85Å; I109-V386 HydrophobicContact CG2-CG1 3.61Å; I109-M390 HydrophobicContact CB-CG 4Å; I109-M390 HydrophobicContact CB-SD 4.14Å; I109-M390 HydrophobicContact CD1-SD 4.38Å; I109-M390 HydrophobicContact CG2-CG 3.76Å; I109-M390 HydrophobicContact CG2-SD 4.02Å; I109-L446 HydrophobicContact CG1-CD1 4.19Å; I109-L446 HydrophobicContact CG1-CD2 4.01Å
110G95.4Very high93.5Very high0 Ų024.4 Ų24.40%012%0.12CC..Hα-helixtrans-71.3-32.9-179.100000112.8I89 P106 A113 L114 T387I89-G110 VanDerWaalsContact CD1-CA 3.42Å; P106-G110 PolarHBondContact O-N 3.17Å; G110-A113 PolarHBondContact O-N 3.44Å; G110-L114 VanDerWaalsContact O-CB 3.28Å; G110-L114 WeakPolarHBondContact O-CB 3.45Å; G110-L114 PolarHBondContact O-N 2.83Å; G110-T387 PolarHBondContact O-OG1 3.14Å
111G94.8Very high93.7Very high0 Ų023.6 Ų23.60%011%0.112CC..Hα-helixtrans-65.1-39.8172.200000112.5A107 L115A107-G111 WeakPolarHBondContact O-CA 2.99Å; A107-G111 PolarHBondContact O-N 3.13Å; G111-L115 WeakPolarHBondContact O-CG 3.48Å; G111-L115 PolarHBondContact O-N 3.24Å
112A96.1Very high94Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-68-41.6175.800000112.4M108 I109 L115 A116 A442 I445 L446 M449M108-A112 WeakPolarHBondContact O-CB 3.36Å; M108-A112 PolarHBondContact O-N 3.13Å; I109-A112 PolarHBondContact O-N 2.88Å; A112-L115 PolarHBondContact O-N 3.17Å; A112-A116 PolarHBondContact O-N 3.28Å; A112-A442 WeakPolarHBondContact CB-O 3.24Å; A112-I445 HydrophobicContact CB-CB 4.05Å; A112-I445 HydrophobicContact CB-CG2 3.82Å; A112-L446 HydrophobicContact CB-CB 3.93Å; A112-M449 HydrophobicContact CB-SD 4.46Å
113A94.5Very high94.1Very high2 Ų29 Ų92%0.0175%0.051CC..Hα-helixtrans-66.7-37.2176.100000112.3I109 G110 A116 D117 S383 V386 T387 A442I109-A113 WeakPolarHBondContact O-CB 3.1Å; I109-A113 PolarHBondContact O-N 2.85Å; G110-A113 PolarHBondContact O-N 3.44Å; A113-A116 PolarHBondContact O-N 2.77Å; A113-D117 PolarHBondContact O-N 3.32Å; A113-S383 PolarHBondContact O-OG 3.03Å; A113-V386 HydrophobicContact CB-CB 4.16Å; A113-V386 HydrophobicContact CB-CG1 4.02Å; A113-T387 WeakPolarHBondContact CB-OG1 3.42Å; A113-A442 HydrophobicContact CB-CB 4.47Å
114L92.4Very high93.9Very high16 Ų169 Ų98%0.0845%0.051CC..Hα-helixtrans-68.5-34.9172.8-173.355.5000112.8G110 D117 G118 E237 L325 T387G110-L114 VanDerWaalsContact O-CB 3.28Å; G110-L114 WeakPolarHBondContact O-CB 3.45Å; G110-L114 PolarHBondContact O-N 2.83Å; L114-D117 HydrophobicContact CD1-CB 4.47Å; L114-D117 VanDerWaalsContact O-CB 3.27Å; L114-D117 WeakPolarHBondContact O-CB 3.47Å; L114-D117 PolarHBondContact O-N 3.02Å; L114-G118 PolarHBondContact O-N 2.71Å; L114-G118 VanDerWaalsContact O-N 3.13Å; L114-E237 HydrophobicContact CD1-CG 3.54Å; L114-L325 HydrophobicContact CB-CD2 3.86Å; L114-L325 HydrophobicContact CD2-CD1 4.16Å; L114-L325 HydrophobicContact CD2-CD2 3.78Å; L114-L325 HydrophobicContact CG-CD2 3.73Å; L114-T387 HydrophobicContact CB-CG2 3.89Å; L114-T387 HydrophobicContact CD1-CG2 4.45Å; L114-T387 HydrophobicContact CD2-CG2 4.42Å; L114-T387 HydrophobicContact CG-CG2 4.49Å; L114-T387 PolarHBondContact N-OG1 3.34Å; L114-T387 VanDerWaalsContact N-OG1 3.1Å
115L93.1Very high93.8Very high12 Ų128.7 Ų8.76%0.0635%0.049CC..Hα-helixtrans-69.3-35.4172.2-74.4173000112.6G111 A112 D117 G118 L325 V326 I445 M449G111-L115 WeakPolarHBondContact O-CG 3.48Å; G111-L115 PolarHBondContact O-N 3.24Å; A112-L115 PolarHBondContact O-N 3.17Å; L115-D117 VanDerWaalsContact C-N 3.27Å; L115-G118 PolarHBondContact O-N 3.32Å; L115-L325 HydrophobicContact CD2-CB 4.29Å; L115-L325 HydrophobicContact CD2-CD2 3.66Å; L115-L325 HydrophobicContact CD2-CG 4.23Å; L115-L325 HydrophobicContact CG-CD2 3.57Å; L115-L325 HydrophobicContact CG-CG 4.33Å; L115-V326 HydrophobicContact CD1-CG2 4.19Å; L115-V326 HydrophobicContact CD2-CG2 3.71Å; L115-I445 HydrophobicContact CB-CD1 3.79Å; L115-I445 HydrophobicContact CB-CG2 4.37Å; L115-I445 HydrophobicContact CD1-CG2 3.77Å; L115-M449 HydrophobicContact CD1-CE 3.67Å
116A93.3Very high93.8Very high0 Ų05.1 Ų5.10%03%0.028CC..Hα-helixtrans-64.5-36.917300000111.2A112 A113 G118 V119 L120 M441 A442 I445A112-A116 PolarHBondContact O-N 3.28Å; A113-A116 PolarHBondContact O-N 2.77Å; A116-G118 VanDerWaalsContact C-N 3.3Å; A116-G118 PolarHBondContact O-N 2.94Å; A116-V119 WeakPolarHBondContact O-CB 3.2Å; A116-V119 PolarHBondContact O-N 3.04Å; A116-V119 VanDerWaalsContact O-N 3.09Å; A116-L120 PolarHBondContact O-N 2.65Å; A116-M441 HydrophobicContact CB-CB 4.03Å; A116-M441 HydrophobicContact CB-CE 4.48Å; A116-A442 HydrophobicContact CB-CB 4.26Å; A116-I445 HydrophobicContact CB-CD1 4.43Å
117D90Very high93.7Very high0 Ų04.7 Ų4.70%03%0.025CC..Hα-helixtrans-59.2-40.9172.4-165.959.4000112.9A113 L114 L115 V119 L120 T121 L318 Y380 I384A113-D117 PolarHBondContact O-N 3.32Å; L114-D117 HydrophobicContact CD1-CB 4.47Å; L114-D117 VanDerWaalsContact O-CB 3.27Å; L114-D117 WeakPolarHBondContact O-CB 3.47Å; L114-D117 PolarHBondContact O-N 3.02Å; L115-D117 VanDerWaalsContact C-N 3.27Å; D117-V119 PolarHBondContact O-N 3.09Å; D117-L120 PolarHBondContact O-N 2.86Å; D117-T121 PolarHBondContact O-N 3.22Å; D117-T121 PolarHBondContact O-OG1 3.05Å; D117-L318 WeakPolarHBondContact O-CD2 3.34Å; D117-Y380 WeakPolarHBondContact OD1-CD2 3.29Å; D117-Y380 WeakPolarHBondContact OD1-CE2 3.41Å; D117-I384 HydrophobicContact CB-CG1 4.27Å; D117-I384 VanDerWaalsContact CG-CG1 3.47Å; D117-I384 WeakPolarHBondContact OD1-CD1 3.17Å; D117-I384 WeakPolarHBondContact OD1-CG1 2.94Å
118G90Very high93.5Very high0 Ų04.7 Ų4.70%03%0.025CC..Hα-helixtrans-48.3-24.2170.800000115.5L114 L115 A116 L318L114-G118 PolarHBondContact O-N 2.71Å; L114-G118 VanDerWaalsContact O-N 3.13Å; L115-G118 PolarHBondContact O-N 3.32Å; A116-G118 VanDerWaalsContact C-N 3.3Å; A116-G118 PolarHBondContact O-N 2.94Å; G118-L318 VanDerWaalsContact CA-CD2 3.48Å
119V93.6Very high93.4Very high5 Ų54.3 Ų4.33%0.032%0.023CC..Hα-helixtrans-93.9-35.1175.6-1730000112.5A116 D117 L359 A362 C363 I366 M441A116-V119 WeakPolarHBondContact O-CB 3.2Å; A116-V119 PolarHBondContact O-N 3.04Å; A116-V119 VanDerWaalsContact O-N 3.09Å; D117-V119 PolarHBondContact O-N 3.09Å; V119-L359 HydrophobicContact CG2-CD2 3.46Å; V119-L359 VanDerWaalsContact CG2-CD2 3.46Å; V119-A362 HydrophobicContact CB-CB 4.5Å; V119-A362 VanDerWaalsContact CG1-C 3.42Å; V119-A362 HydrophobicContact CG1-CB 3.55Å; V119-A362 HydrophobicContact CG2-CB 4.08Å; V119-C363 HydrophobicContact CG1-CB 3.93Å; V119-C363 PolarHBondContact O-SG 3.38Å; V119-I366 HydrophobicContact CB-CD1 4.41Å; V119-I366 HydrophobicContact CG1-CD1 3.63Å; V119-M441 HydrophobicContact CB-CE 3.45Å; V119-M441 VanDerWaalsContact CB-CE 3.45Å; V119-M441 HydrophobicContact CG1-CE 3.72Å; V119-M441 HydrophobicContact CG2-CE 3.48Å; V119-M441 VanDerWaalsContact CG2-CE 3.48Å
120L91.9Very high93.3Very high0 Ų02 Ų20%01%0.011CC..Hα-helixtrans-76.1-41.6-173.3-71164.8000112.2A116 D117 A123 V124 I366 A379 Y380 A438A116-L120 PolarHBondContact O-N 2.65Å; D117-L120 PolarHBondContact O-N 2.86Å; L120-A123 WeakPolarHBondContact O-CB 3.47Å; L120-A123 PolarHBondContact O-N 2.83Å; L120-A123 VanDerWaalsContact O-N 3.09Å; L120-V124 WeakPolarHBondContact O-CG2 3.21Å; L120-V124 PolarHBondContact O-N 2.95Å; L120-I366 HydrophobicContact CD2-CD1 3.63Å; L120-I366 HydrophobicContact CD2-CG2 4.37Å; L120-I366 HydrophobicContact CG-CD1 4.29Å; L120-A379 HydrophobicContact CD1-CB 4.37Å; L120-A379 HydrophobicContact CD2-CB 3.89Å; L120-Y380 HydrophobicContact CB-CD2 3.94Å; L120-A438 HydrophobicContact CD1-CB 3.8Å
121T90.9Very high93.1Very high0 Ų02.8 Ų2.80%02%0.015CC..Hα-helixtrans-60.4-46.9-176.5-54.40000113.2D28 D117 A123 V124 T125 L318 Y380D28-T121 VanDerWaalsContact OD1-CG2 3.3Å; D28-T121 WeakPolarHBondContact OD1-CG2 3.44Å; D117-T121 PolarHBondContact O-N 3.22Å; D117-T121 PolarHBondContact O-OG1 3.05Å; T121-A123 VanDerWaalsContact C-N 3.26Å; T121-A123 PolarHBondContact O-N 3Å; T121-V124 PolarHBondContact O-N 2.89Å; T121-T125 HydrophobicContact CG2-CG2 3.71Å; T121-T125 WeakPolarHBondContact O-CB 3.29Å; T121-T125 VanDerWaalsContact O-CG2 3.31Å; T121-T125 WeakPolarHBondContact O-CG2 3.43Å; T121-T125 PolarHBondContact O-N 2.73Å; T121-T125 PolarHBondContact O-OG1 2.67Å; T121-L318 HydrophobicContact CG2-CD2 3.98Å; T121-L318 WeakPolarHBondContact OG1-CD2 3.48Å; T121-Y380 WeakPolarHBondContact OG1-CE2 3.29Å; T121-Y380 PolarHBondContact OG1-OH 3.46Å
122P93.5Very high92.9Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-64.6-32176.2-18.832.1000112.9V126 L158 S315 I319P122-V126 VanDerWaalsContact O-CB 3.24Å; P122-V126 WeakPolarHBondContact O-CB 3.42Å; P122-V126 VanDerWaalsContact O-CG2 3.24Å; P122-V126 WeakPolarHBondContact O-CG2 3.46Å; P122-V126 PolarHBondContact O-N 3.43Å; P122-L158 HydrophobicContact CB-CD2 3.76Å; P122-S315 VanDerWaalsContact CA-OG 3.24Å; P122-S315 WeakPolarHBondContact CA-OG 3.06Å; P122-S315 WeakPolarHBondContact CB-OG 3.43Å; P122-I319 HydrophobicContact CG-CD1 4.27Å; P122-I319 HydrophobicContact CG-CG1 4.41Å
123A93.6Very high92.6Very high0 Ų04.4 Ų4.40%02%0.024CC..Hα-helixtrans-68-49.4177.100000111.2L120 T121 T127 C363 I366 V367 M376L120-A123 WeakPolarHBondContact O-CB 3.47Å; L120-A123 PolarHBondContact O-N 2.83Å; L120-A123 VanDerWaalsContact O-N 3.09Å; T121-A123 VanDerWaalsContact C-N 3.26Å; T121-A123 PolarHBondContact O-N 3Å; A123-T127 WeakPolarHBondContact O-CB 3.5Å; A123-T127 PolarHBondContact O-N 2.91Å; A123-T127 PolarHBondContact O-OG1 2.83Å; A123-C363 PolarHBondContact N-SG 2.95Å; A123-C363 VanDerWaalsContact N-SG 3.43Å; A123-I366 HydrophobicContact CB-CB 4.37Å; A123-I366 HydrophobicContact CB-CG2 3.86Å; A123-V367 HydrophobicContact CB-CG2 3.76Å; A123-M376 HydrophobicContact CB-SD 3.95Å
124V91.9Very high92.2Very high0 Ų06.3 Ų6.30%03%0.03CC..Hα-helixtrans-69.3-58.4-178.1176.70000110.5Y35 L120 T121 V126 T127 T128 M376 E377 Y380Y35-V124 HydrophobicContact CD1-CG1 4.4Å; L120-V124 WeakPolarHBondContact O-CG2 3.21Å; L120-V124 PolarHBondContact O-N 2.95Å; T121-V124 PolarHBondContact O-N 2.89Å; V124-V126 PolarHBondContact O-N 3.03Å; V124-T127 PolarHBondContact O-N 3.47Å; V124-T128 PolarHBondContact O-N 3.42Å; V124-T128 PolarHBondContact O-OG1 2.81Å; V124-M376 HydrophobicContact CG2-CB 3.55Å; V124-E377 HydrophobicContact CG1-CG 3.98Å; V124-Y380 HydrophobicContact CG1-CD1 4.47Å; V124-Y380 HydrophobicContact CG2-CD1 4.48Å; V124-Y380 HydrophobicContact CG2-CG 4.39Å
125T92.4Very high91.7Very high0 Ų07 Ų70%04%0.042CC..Hα-helixtrans-63.5-44.1-169.9600000112.7T31 Y35 T121 A129T31-T125 VanDerWaalsContact OG1-CG2 3.28Å; T31-T125 WeakPolarHBondContact OG1-CG2 3.39Å; Y35-T125 HydrophobicContact CE1-CG2 4.16Å; T121-T125 HydrophobicContact CG2-CG2 3.71Å; T121-T125 WeakPolarHBondContact O-CB 3.29Å; T121-T125 VanDerWaalsContact O-CG2 3.31Å; T121-T125 WeakPolarHBondContact O-CG2 3.43Å; T121-T125 PolarHBondContact O-N 2.73Å; T121-T125 PolarHBondContact O-OG1 2.67Å; T125-A129 WeakPolarHBondContact O-CB 3.1Å; T125-A129 PolarHBondContact O-N 2.97Å
126V95.2Very high91.4Very high0 Ų07.2 Ų7.20%04%0.043CC..Hα-helixtrans-68.8-41.5178.4-178.10000110.3P122 V124 A129 I130 T154 I157 L158 A311P122-V126 VanDerWaalsContact O-CB 3.24Å; P122-V126 WeakPolarHBondContact O-CB 3.42Å; P122-V126 VanDerWaalsContact O-CG2 3.24Å; P122-V126 WeakPolarHBondContact O-CG2 3.46Å; P122-V126 PolarHBondContact O-N 3.43Å; V124-V126 PolarHBondContact O-N 3.03Å; V126-A129 PolarHBondContact O-N 2.9Å; V126-I130 HydrophobicContact CG1-CG1 4.34Å; V126-I130 VanDerWaalsContact O-CG1 3.28Å; V126-I130 WeakPolarHBondContact O-CG1 3.25Å; V126-I130 PolarHBondContact O-N 2.89Å; V126-T154 HydrophobicContact CB-CG2 4.33Å; V126-T154 HydrophobicContact CG1-CG2 3.98Å; V126-I157 HydrophobicContact CG1-CB 4.06Å; V126-I157 HydrophobicContact CG1-CD1 4.21Å; V126-I157 HydrophobicContact CG1-CG2 3.72Å; V126-L158 HydrophobicContact CG2-CD2 4.23Å; V126-A311 HydrophobicContact CG2-CB 4.21Å
127T94.4Very high90.8Very high1 Ų111.3 Ų11.31%0.0067%0.069CC..Hα-helixtrans-62.1-47.2176.6-580000111.1A123 V124 A129 I130 E131 I150 T154A123-T127 WeakPolarHBondContact O-CB 3.5Å; A123-T127 PolarHBondContact O-N 2.91Å; A123-T127 PolarHBondContact O-OG1 2.83Å; V124-T127 PolarHBondContact O-N 3.47Å; T127-A129 VanDerWaalsContact C-N 3.33Å; T127-A129 PolarHBondContact O-N 3.09Å; T127-I130 PolarHBondContact O-N 3.31Å; T127-E131 HydrophobicContact CG2-CG 4.31Å; T127-E131 WeakPolarHBondContact O-CB 3.39Å; T127-E131 WeakPolarHBondContact O-CG 2.91Å; T127-E131 PolarHBondContact O-N 2.85Å; T127-I150 HydrophobicContact CG2-CG2 4.48Å; T127-T154 WeakPolarHBondContact OG1-CG2 2.89Å
128T92.6Very high90.5Very high0 Ų016.5 Ų16.50%010%0.097CC..Hα-helixtrans-61.7-40178.5-54.40000112.1L34 V124 E131 S373L34-T128 HydrophobicContact CB-CG2 3.88Å; L34-T128 VanDerWaalsContact O-CG2 3.31Å; L34-T128 WeakPolarHBondContact O-CG2 3.36Å; V124-T128 PolarHBondContact O-N 3.42Å; V124-T128 PolarHBondContact O-OG1 2.81Å; T128-E131 PolarHBondContact O-N 3.19Å; T128-S373 WeakPolarHBondContact OG1-CB 3.43Å; T128-S373 PolarHBondContact OG1-OG 2.85Å
129A94.6Very high90.3Very high0 Ų018 Ų180%010%0.104CC..Hα-helixtrans-63.1-44.3176.700000111.9L34 T125 V126 T127 G132 A307 A311L34-A129 HydrophobicContact CD1-CB 4.5Å; T125-A129 WeakPolarHBondContact O-CB 3.1Å; T125-A129 PolarHBondContact O-N 2.97Å; V126-A129 PolarHBondContact O-N 2.9Å; T127-A129 VanDerWaalsContact C-N 3.33Å; T127-A129 PolarHBondContact O-N 3.09Å; A129-G132 PolarHBondContact O-N 3.29Å; A129-A307 HydrophobicContact CB-CB 4.12Å; A129-A311 HydrophobicContact CB-CB 4.04Å
130I94.5Very high89.7Confident7 Ų723.3 Ų23.34%0.03612%0.124CC..Hα-helixtrans-74.5-28.9-179.7-62.9-58.3000112.4V126 T127 G132 L133 I150 I153 I157 T308V126-I130 HydrophobicContact CG1-CG1 4.34Å; V126-I130 VanDerWaalsContact O-CG1 3.28Å; V126-I130 WeakPolarHBondContact O-CG1 3.25Å; V126-I130 PolarHBondContact O-N 2.89Å; T127-I130 PolarHBondContact O-N 3.31Å; I130-G132 PolarHBondContact O-N 2.89Å; I130-G132 VanDerWaalsContact O-N 3.17Å; I130-L133 HydrophobicContact CG2-CD1 3.82Å; I130-L133 VanDerWaalsContact O-CB 3.26Å; I130-L133 WeakPolarHBondContact O-CB 3.46Å; I130-L133 VanDerWaalsContact O-CG 3.32Å; I130-L133 WeakPolarHBondContact O-CG 3.32Å; I130-L133 PolarHBondContact O-N 2.67Å; I130-I150 HydrophobicContact CG2-CB 4.42Å; I130-I150 HydrophobicContact CG2-CG2 3.98Å; I130-I153 HydrophobicContact CD1-CG2 3.91Å; I130-I153 HydrophobicContact CG1-CG2 4.18Å; I130-I153 HydrophobicContact CG2-CB 4.01Å; I130-I153 HydrophobicContact CG2-CG2 3.77Å; I130-I157 HydrophobicContact CD1-CD1 3.46Å; I130-I157 VanDerWaalsContact CD1-CD1 3.46Å; I130-I157 HydrophobicContact CG1-CD1 3.78Å; I130-T308 HydrophobicContact CD1-CG2 3.86Å; I130-T308 WeakPolarHBondContact CD1-OG1 3.12Å
131E92Very high89.2Confident16 Ų1630.7 Ų30.78%0.07516%0.159CC..Hα-helixtrans-57.9-26.3170.3-79.9179.1176.300112.3K38 T127 T128 L133 R134 I150 T372 S373K38-E131 IonicContact NZ-OE2 2.59Å; K38-E131 PolarHBondContact NZ-OE2 2.99Å; T127-E131 HydrophobicContact CG2-CG 4.31Å; T127-E131 WeakPolarHBondContact O-CB 3.39Å; T127-E131 WeakPolarHBondContact O-CG 2.91Å; T127-E131 PolarHBondContact O-N 2.85Å; T128-E131 PolarHBondContact O-N 3.19Å; E131-L133 PolarHBondContact O-N 3.31Å; E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 WeakPolarHBondContact O-CG 3.22Å; E131-R134 PolarHBondContact O-N 3.13Å; E131-R134 VanDerWaalsContact O-N 3.13Å; E131-I150 HydrophobicContact CG-CD1 4.31Å; E131-I150 HydrophobicContact CG-CG2 4.05Å; E131-T372 WeakPolarHBondContact OE1-CA 3.28Å; E131-S373 PolarHBondContact OE1-N 3.37Å; E131-S373 PolarHBondContact OE2-OG 2.82Å
132G90.2Very high88.9Confident3 Ų338 Ų383%0.03119%0.193CC..G310 helixtrans-59.5-22.3172.700000114.5A129 I130 R134 G135 V304A129-G132 PolarHBondContact O-N 3.29Å; I130-G132 PolarHBondContact O-N 2.89Å; I130-G132 VanDerWaalsContact O-N 3.17Å; G132-R134 PolarHBondContact O-N 2.92Å; G132-R134 VanDerWaalsContact O-N 3.11Å; G132-G135 PolarHBondContact O-N 2.94Å; G132-V304 WeakPolarHBondContact O-CG2 3.31Å
133L90.3Very high88.3Confident30 Ų3042.7 Ų42.716%0.15721%0.214CC..G310 helixtrans-57.2-26.5174.4-69.1174.9000112.5I130 E131 G135 I136 F139 I153 V304I130-L133 HydrophobicContact CG2-CD1 3.82Å; I130-L133 VanDerWaalsContact O-CB 3.26Å; I130-L133 WeakPolarHBondContact O-CB 3.46Å; I130-L133 VanDerWaalsContact O-CG 3.32Å; I130-L133 WeakPolarHBondContact O-CG 3.32Å; I130-L133 PolarHBondContact O-N 2.67Å; E131-L133 PolarHBondContact O-N 3.31Å; L133-G135 PolarHBondContact O-N 2.91Å; L133-I136 HydrophobicContact CD2-CD1 3.73Å; L133-I136 WeakPolarHBondContact O-CB 3.3Å; L133-I136 PolarHBondContact O-N 3.01Å; L133-F139 HydrophobicContact CB-CD1 3.9Å; L133-F139 HydrophobicContact CB-CD2 4.19Å; L133-F139 HydrophobicContact CB-CE1 3.88Å; L133-F139 HydrophobicContact CB-CE2 4.17Å; L133-F139 HydrophobicContact CB-CG 4.06Å; L133-F139 HydrophobicContact CB-CZ 4.03Å; L133-F139 HydrophobicContact CD1-CD2 4.41Å; L133-F139 HydrophobicContact CD1-CE2 3.9Å; L133-F139 HydrophobicContact CD1-CZ 4.1Å; L133-F139 VanDerWaalsContact O-CD1 3.3Å; L133-F139 WeakPolarHBondContact O-CD1 3.34Å; L133-I153 HydrophobicContact CD1-CD1 3.85Å; L133-V304 HydrophobicContact CD2-CG1 3.63Å; L133-V304 HydrophobicContact CG-CG1 3.9Å
134R85.5Confident87.7Confident42 Ų4243.8 Ų43.816%0.15823%0.225CC..G310 helixtrans-61.4-25.8175.4-69176.7159.3152.3-2.8113.6E131 G132 I136 N145 Q147 I150E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 WeakPolarHBondContact O-CG 3.22Å; E131-R134 PolarHBondContact O-N 3.13Å; E131-R134 VanDerWaalsContact O-N 3.13Å; G132-R134 PolarHBondContact O-N 2.92Å; G132-R134 VanDerWaalsContact O-N 3.11Å; R134-I136 PolarHBondContact O-N 3.22Å; R134-N145 PolarHBondContact NH2-O 3.13Å; R134-N145 VanDerWaalsContact NH2-O 3.08Å; R134-Q147 VanDerWaalsContact CZ-OE1 3.26Å; R134-I150 HydrophobicContact CG-CD1 3.97Å; R134-I150 VanDerWaalsContact CZ-CD1 3.43Å; R134-I150 VanDerWaalsContact NE-CD1 3.35Å
135G82.8Confident87Confident32 Ų3247 Ų4733%0.3324%0.242SC..G310 helixtrans-76.5-7.8176.900000113.9G132 L133 P137G132-G135 PolarHBondContact O-N 2.94Å; L133-G135 PolarHBondContact O-N 2.91Å; G135-P137 WeakPolarHBondContact O-CD 3.21Å
136I85.9Confident86.6Confident16 Ų1650.1 Ų50.18%0.08226%0.258CS..  trans-90.9118.3-179-57.8168.5000108.6L133 R134 D138 F139 Y140 M300 I301 V304L133-I136 HydrophobicContact CD2-CD1 3.73Å; L133-I136 WeakPolarHBondContact O-CB 3.3Å; L133-I136 PolarHBondContact O-N 3.01Å; R134-I136 PolarHBondContact O-N 3.22Å; I136-D138 VanDerWaalsContact C-N 3.33Å; I136-D138 HydrophobicContact CG2-CB 4.47Å; I136-D138 PolarHBondContact O-N 3.49Å; I136-F139 HydrophobicContact CB-CB 3.99Å; I136-F139 HydrophobicContact CG2-CB 4.28Å; I136-F139 PolarHBondContact O-N 3.24Å; I136-F139 VanDerWaalsContact O-N 3.15Å; I136-Y140 PolarHBondContact O-N 3.46Å; I136-M300 HydrophobicContact CG1-CB 4.3Å; I136-M300 HydrophobicContact CG1-CG 3.57Å; I136-I301 HydrophobicContact CD1-CG1 3.95Å; I136-I301 HydrophobicContact CG1-CG1 4.14Å; I136-I301 HydrophobicContact CG2-CD1 4.47Å; I136-I301 HydrophobicContact CG2-CG1 4.07Å; I136-V304 HydrophobicContact CD1-CG2 4.41Å
137P81.8Confident86.2Confident85 Ų8551.3 Ų51.355%0.55226%0.264SS*.Hα-helixtrans-54.3-44.2-176.7-28.535.7000113.8G135 F139 Y140 Q141G135-P137 WeakPolarHBondContact O-CD 3.21Å; P137-F139 PolarHBondContact O-N 3.1Å; P137-Y140 PolarHBondContact O-N 3.43Å; P137-Q141 VanDerWaalsContact O-CG 3.29Å; P137-Q141 WeakPolarHBondContact O-CG 3.42Å; P137-Q141 PolarHBondContact O-N 3.33Å
138D83.5Confident86.1Confident110 Ų11055 Ų5559%0.58828%0.284SS*.Hα-helixtrans-64.2-41.3-179.4-58.7-20.3000111.9I136 Q141 E142I136-D138 VanDerWaalsContact C-N 3.33Å; I136-D138 HydrophobicContact CG2-CB 4.47Å; I136-D138 PolarHBondContact O-N 3.49Å; D138-Q141 PolarHBondContact O-N 2.83Å; D138-E142 WeakPolarHBondContact O-CG 3.2Å; D138-E142 PolarHBondContact O-N 3.2Å; D138-E142 VanDerWaalsContact O-N 3.16Å
139F84.2Confident86.1Confident30 Ų3056.5 Ų56.513%0.13229%0.292CS..Hα-helixtrans-66.6-42.5176.5-176.1-88.1000111.1L133 I136 P137 Q141 E142 F143 I149 I153L133-F139 HydrophobicContact CB-CD1 3.9Å; L133-F139 HydrophobicContact CB-CD2 4.19Å; L133-F139 HydrophobicContact CB-CE1 3.88Å; L133-F139 HydrophobicContact CB-CE2 4.17Å; L133-F139 HydrophobicContact CB-CG 4.06Å; L133-F139 HydrophobicContact CB-CZ 4.03Å; L133-F139 HydrophobicContact CD1-CD2 4.41Å; L133-F139 HydrophobicContact CD1-CE2 3.9Å; L133-F139 HydrophobicContact CD1-CZ 4.1Å; L133-F139 VanDerWaalsContact O-CD1 3.3Å; L133-F139 WeakPolarHBondContact O-CD1 3.34Å; I136-F139 HydrophobicContact CB-CB 3.99Å; I136-F139 HydrophobicContact CG2-CB 4.28Å; I136-F139 PolarHBondContact O-N 3.24Å; I136-F139 VanDerWaalsContact O-N 3.15Å; P137-F139 PolarHBondContact O-N 3.1Å; F139-Q141 VanDerWaalsContact C-N 3.32Å; F139-Q141 PolarHBondContact O-N 3.2Å; F139-E142 PolarHBondContact O-N 3.19Å; F139-F143 AromaticContact CD2-CD2 3.57Å; F139-F143 HydrophobicContact CD2-CD2 3.57Å; F139-F143 HydrophobicContact CD2-CE2 4.06Å; F139-F143 HydrophobicContact CE1-CB 4.19Å; F139-F143 HydrophobicContact CE1-CD2 4.46Å; F139-F143 AromaticContact CE2-CD2 3.47Å; F139-F143 HydrophobicContact CE2-CD2 3.47Å; F139-F143 VanDerWaalsContact CE2-CD2 3.47Å; F139-F143 AromaticContact CE2-CE2 3.99Å; F139-F143 HydrophobicContact CE2-CE2 3.99Å; F139-F143 HydrophobicContact CE2-CG 4.32Å; F139-F143 HydrophobicContact CG-CD2 4.12Å; F139-F143 HydrophobicContact CZ-CB 4.21Å; F139-F143 AromaticContact CZ-CD2 3.95Å; F139-F143 HydrophobicContact CZ-CD2 3.95Å; F139-F143 HydrophobicContact CZ-CG 4.39Å; F139-F143 WeakPolarHBondContact O-CB 3.3Å; F139-F143 PolarHBondContact O-N 2.71Å; F139-I149 HydrophobicContact CE2-CG2 4.42Å; F139-I149 HydrophobicContact CZ-CG2 4.01Å; F139-I153 HydrophobicContact CE2-CD1 4.37Å
140Y81.7Confident86Confident117 Ų11756.6 Ų56.646%0.45929%0.292SS..Hα-helixtrans-65.1-35.2177.9-170.9-90000112.1I136 P137 G144 N145I136-Y140 PolarHBondContact O-N 3.46Å; P137-Y140 PolarHBondContact O-N 3.43Å; Y140-G144 WeakPolarHBondContact O-CA 3.27Å; Y140-G144 PolarHBondContact O-N 3.43Å; Y140-N145 WeakPolarHBondContact CE2-OD1 3.4Å
141Q81.3Confident86Confident155 Ų15556.5 Ų56.572%0.72429%0.292SS*.Hα-helixtrans-68.1-42.7176-74.3175.122.100112.5P137 D138 F139P137-Q141 VanDerWaalsContact O-CG 3.29Å; P137-Q141 WeakPolarHBondContact O-CG 3.42Å; P137-Q141 PolarHBondContact O-N 3.33Å; D138-Q141 PolarHBondContact O-N 2.83Å; F139-Q141 VanDerWaalsContact C-N 3.32Å; F139-Q141 PolarHBondContact O-N 3.2Å
142E84.2Confident86.2Confident154 Ų15460.5 Ų60.572%0.7231%0.312SS*.Hα-helixtrans-77.1-39.9-177.7-72.7-69.8173.200113.1D138 F139D138-E142 WeakPolarHBondContact O-CG 3.2Å; D138-E142 PolarHBondContact O-N 3.2Å; D138-E142 VanDerWaalsContact O-N 3.16Å; F139-E142 PolarHBondContact O-N 3.19Å
143F82.3Confident86.4Confident99 Ų9962.8 Ų62.843%0.43432%0.323SS..Hα-helixtrans-118-10.8-169.2-61.7-58.5000114.2F139 N146 I149F139-F143 AromaticContact CD2-CD2 3.57Å; F139-F143 HydrophobicContact CD2-CD2 3.57Å; F139-F143 HydrophobicContact CD2-CE2 4.06Å; F139-F143 HydrophobicContact CE1-CB 4.19Å; F139-F143 HydrophobicContact CE1-CD2 4.46Å; F139-F143 AromaticContact CE2-CD2 3.47Å; F139-F143 HydrophobicContact CE2-CD2 3.47Å; F139-F143 VanDerWaalsContact CE2-CD2 3.47Å; F139-F143 AromaticContact CE2-CE2 3.99Å; F139-F143 HydrophobicContact CE2-CE2 3.99Å; F139-F143 HydrophobicContact CE2-CG 4.32Å; F139-F143 HydrophobicContact CG-CD2 4.12Å; F139-F143 HydrophobicContact CZ-CB 4.21Å; F139-F143 AromaticContact CZ-CD2 3.95Å; F139-F143 HydrophobicContact CZ-CD2 3.95Å; F139-F143 HydrophobicContact CZ-CG 4.39Å; F139-F143 WeakPolarHBondContact O-CB 3.3Å; F139-F143 PolarHBondContact O-N 2.71Å; F143-N146 WeakPolarHBondContact O-CB 3.4Å; F143-N146 PolarHBondContact O-N 3.15Å; F143-I149 HydrophobicContact CB-CD1 3.7Å; F143-I149 HydrophobicContact CD1-CD1 3.2Å; F143-I149 HydrophobicContact CE1-CD1 3.97Å; F143-I149 HydrophobicContact CG-CD1 3.66Å
144G79.5Confident86.7Confident23 Ų2361.3 Ų61.324%0.23732%0.316CS..THydrogen-bonded Turntrans57.4-151.6-17500000112.8Y140 N146Y140-G144 WeakPolarHBondContact O-CA 3.27Å; Y140-G144 PolarHBondContact O-N 3.43Å; G144-N146 PolarHBondContact O-N 3.24Å
145N78.6Confident87.2Confident67 Ų6761.2 Ų61.236%0.35832%0.318SS..THydrogen-bonded Turntrans-82.322174.1-88.6-25.1000114R134 Y140 Q147R134-N145 PolarHBondContact NH2-O 3.13Å; R134-N145 VanDerWaalsContact NH2-O 3.08Å; Y140-N145 WeakPolarHBondContact CE2-OD1 3.4Å; N145-Q147 PolarHBondContact O-N 3.32Å
146N84.5Confident87.9Confident65 Ų6562.9 Ų62.935%0.34832%0.322SS..  trans-64.998.8-171.4-171.8-5.7000113.2F143 G144 N148 I149F143-N146 WeakPolarHBondContact O-CB 3.4Å; F143-N146 PolarHBondContact O-N 3.15Å; G144-N146 PolarHBondContact O-N 3.24Å; N146-N148 PolarHBondContact O-N 3.21Å; N146-N148 VanDerWaalsContact O-N 3.11Å; N146-N148 VanDerWaalsContact OD1-CB 3.25Å; N146-N148 WeakPolarHBondContact OD1-CB 3.34Å; N146-N148 PolarHBondContact OD1-N 3.44Å; N146-N148 VanDerWaalsContact OD1-N 3.09Å; N146-N148 PolarHBondContact OD1-ND2 3.3Å; N146-I149 HydrophobicContact CB-CD1 4.11Å; N146-I149 HydrophobicContact CB-CG1 4.4Å; N146-I149 PolarHBondContact O-N 3.09Å; N146-I149 VanDerWaalsContact O-N 3.12Å
147Q86.7Confident88.4Confident26 Ų2663.5 Ų63.512%0.12133%0.325CS..Hα-helixtrans-58.5-25.9178.7-169.665.937.400113R134 N145 I149 I150 V151 R371 T372R134-Q147 VanDerWaalsContact CZ-OE1 3.26Å; N145-Q147 PolarHBondContact O-N 3.32Å; Q147-I149 PolarHBondContact O-N 3.4Å; Q147-I150 PolarHBondContact O-N 2.69Å; Q147-V151 HydrophobicContact CG-CG2 4.33Å; Q147-V151 WeakPolarHBondContact O-CG2 3.34Å; Q147-V151 PolarHBondContact O-N 3.37Å; Q147-R371 HydrophobicContact CG-CB 4.04Å; Q147-R371 PolarHBondContact NE2-O 3.15Å; Q147-T372 HydrophobicContact CG-CG2 4.24Å
148N91.2Very high89.1Confident77 Ų7759.4 Ų59.441%0.41230%0.299SS..Hα-helixtrans-61.3-36.3179-57.3-63.4000111.7N146 V151 I152 R371N146-N148 PolarHBondContact O-N 3.21Å; N146-N148 VanDerWaalsContact O-N 3.11Å; N146-N148 VanDerWaalsContact OD1-CB 3.25Å; N146-N148 WeakPolarHBondContact OD1-CB 3.34Å; N146-N148 PolarHBondContact OD1-N 3.44Å; N146-N148 VanDerWaalsContact OD1-N 3.09Å; N146-N148 PolarHBondContact OD1-ND2 3.3Å; N148-V151 PolarHBondContact O-N 3.16Å; N148-I152 VanDerWaalsContact O-CG1 3.26Å; N148-I152 WeakPolarHBondContact O-CG1 3.28Å; N148-I152 PolarHBondContact O-N 3.11Å; N148-R371 VanDerWaalsContact OD1-CZ 3.25Å; N148-R371 PolarHBondContact OD1-NH1 3.22Å; N148-R371 PolarHBondContact OD1-NH2 3.38Å
149I92.3Very high89.7Confident33 Ų3357.6 Ų57.617%0.16929%0.288CS..Hα-helixtrans-73.3-42.5-176.4-64.8174.8000110.4F139 F143 N146 Q147 V151 I152 I153F139-I149 HydrophobicContact CE2-CG2 4.42Å; F139-I149 HydrophobicContact CZ-CG2 4.01Å; F143-I149 HydrophobicContact CB-CD1 3.7Å; F143-I149 HydrophobicContact CD1-CD1 3.2Å; F143-I149 HydrophobicContact CE1-CD1 3.97Å; F143-I149 HydrophobicContact CG-CD1 3.66Å; N146-I149 HydrophobicContact CB-CD1 4.11Å; N146-I149 HydrophobicContact CB-CG1 4.4Å; N146-I149 PolarHBondContact O-N 3.09Å; N146-I149 VanDerWaalsContact O-N 3.12Å; Q147-I149 PolarHBondContact O-N 3.4Å; I149-V151 VanDerWaalsContact C-N 3.31Å; I149-V151 PolarHBondContact O-N 3.03Å; I149-I152 PolarHBondContact O-N 3.5Å; I149-I153 HydrophobicContact CG2-CD1 3.84Å; I149-I153 HydrophobicContact CG2-CG1 4.44Å; I149-I153 VanDerWaalsContact O-CG1 3.32Å; I149-I153 WeakPolarHBondContact O-CG1 3.42Å; I149-I153 PolarHBondContact O-N 3.13Å
150I92.3Very high90.1Very high1 Ų162 Ų621%0.00531%0.308CS..Hα-helixtrans-56.1-48.8172.6-68.5166.3000110T127 I130 E131 R134 Q147 I152 I153 T154T127-I150 HydrophobicContact CG2-CG2 4.48Å; I130-I150 HydrophobicContact CG2-CB 4.42Å; I130-I150 HydrophobicContact CG2-CG2 3.98Å; E131-I150 HydrophobicContact CG-CD1 4.31Å; E131-I150 HydrophobicContact CG-CG2 4.05Å; R134-I150 HydrophobicContact CG-CD1 3.97Å; R134-I150 VanDerWaalsContact CZ-CD1 3.43Å; R134-I150 VanDerWaalsContact NE-CD1 3.35Å; Q147-I150 PolarHBondContact O-N 2.69Å; I150-I152 PolarHBondContact O-N 2.81Å; I150-I153 PolarHBondContact O-N 3.27Å; I150-T154 WeakPolarHBondContact O-CB 3.24Å; I150-T154 PolarHBondContact O-N 3.28Å; I150-T154 PolarHBondContact O-OG1 3.44Å
151V94.5Very high90.6Very high5 Ų556.6 Ų56.63%0.0329%0.287CS..Hα-helixtrans-59.1-43.7178168.30000111.9Q147 N148 I149 T154 L155 V367 L368 R371Q147-V151 HydrophobicContact CG-CG2 4.33Å; Q147-V151 WeakPolarHBondContact O-CG2 3.34Å; Q147-V151 PolarHBondContact O-N 3.37Å; N148-V151 PolarHBondContact O-N 3.16Å; I149-V151 VanDerWaalsContact C-N 3.31Å; I149-V151 PolarHBondContact O-N 3.03Å; V151-T154 PolarHBondContact O-N 3.04Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.46Å; V151-L155 WeakPolarHBondContact O-CB 3.15Å; V151-L155 VanDerWaalsContact O-CG 3.26Å; V151-L155 WeakPolarHBondContact O-CG 3.47Å; V151-L155 PolarHBondContact O-N 3.33Å; V151-V367 HydrophobicContact CG1-CG1 4.17Å; V151-L368 HydrophobicContact CG1-CD2 4.27Å; V151-R371 HydrophobicContact CG2-CB 4.06Å
152I96Very high91.2Very high100 Ų10049.4 Ų49.451%0.51325%0.253SS..Hα-helixtrans-63.5-47.2178.2-70164000111N148 I149 I150 T154 L155 V156N148-I152 VanDerWaalsContact O-CG1 3.26Å; N148-I152 WeakPolarHBondContact O-CG1 3.28Å; N148-I152 PolarHBondContact O-N 3.11Å; I149-I152 PolarHBondContact O-N 3.5Å; I150-I152 PolarHBondContact O-N 2.81Å; I152-T154 VanDerWaalsContact C-N 3.35Å; I152-T154 PolarHBondContact O-N 3.01Å; I152-L155 PolarHBondContact O-N 3.05Å; I152-V156 WeakPolarHBondContact O-CG2 3.31Å; I152-V156 PolarHBondContact O-N 3.43Å
153I95.2Very high91.6Very high51 Ų5146.1 Ų46.126%0.26224%0.24SC..Hα-helixtrans-60.8-46.3179-66.3168.2000110.2I130 L133 F139 I149 I150 L155 V156 I157I130-I153 HydrophobicContact CD1-CG2 3.91Å; I130-I153 HydrophobicContact CG1-CG2 4.18Å; I130-I153 HydrophobicContact CG2-CB 4.01Å; I130-I153 HydrophobicContact CG2-CG2 3.77Å; L133-I153 HydrophobicContact CD1-CD1 3.85Å; F139-I153 HydrophobicContact CE2-CD1 4.37Å; I149-I153 HydrophobicContact CG2-CD1 3.84Å; I149-I153 HydrophobicContact CG2-CG1 4.44Å; I149-I153 VanDerWaalsContact O-CG1 3.32Å; I149-I153 WeakPolarHBondContact O-CG1 3.42Å; I149-I153 PolarHBondContact O-N 3.13Å; I150-I153 PolarHBondContact O-N 3.27Å; I153-L155 PolarHBondContact O-N 2.92Å; I153-V156 PolarHBondContact O-N 3.41Å; I153-I157 HydrophobicContact CG2-CD1 3.93Å; I153-I157 WeakPolarHBondContact O-CG1 3.24Å; I153-I157 PolarHBondContact O-N 3.44Å
154T96Very high91.9Very high0 Ų044.8 Ų44.80%024%0.237CC..Hα-helixtrans-57.1-48.5175.8-62.20000111.4V126 T127 I150 V151 I152 V156 I157 L158 V367V126-T154 HydrophobicContact CB-CG2 4.33Å; V126-T154 HydrophobicContact CG1-CG2 3.98Å; T127-T154 WeakPolarHBondContact OG1-CG2 2.89Å; I150-T154 WeakPolarHBondContact O-CB 3.24Å; I150-T154 PolarHBondContact O-N 3.28Å; I150-T154 PolarHBondContact O-OG1 3.44Å; V151-T154 PolarHBondContact O-N 3.04Å; I152-T154 VanDerWaalsContact C-N 3.35Å; I152-T154 PolarHBondContact O-N 3.01Å; T154-V156 VanDerWaalsContact C-N 3.31Å; T154-V156 PolarHBondContact O-N 3.43Å; T154-I157 PolarHBondContact O-N 2.96Å; T154-L158 HydrophobicContact CG2-CD1 4.01Å; T154-L158 HydrophobicContact CG2-CG 4.29Å; T154-L158 VanDerWaalsContact O-CG 3.32Å; T154-L158 WeakPolarHBondContact O-CG 3.34Å; T154-L158 PolarHBondContact O-N 3.14Å; T154-V367 HydrophobicContact CG2-CG1 3.95Å; T154-V367 HydrophobicContact CG2-CG2 4.08Å
155L97.3Very high92.3Very high39 Ų3944 Ų4420%0.20423%0.227CC..Hα-helixtrans-62.9-36.5179.5-72171.8000112.6V151 I152 I153 L159 V367 L368V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.46Å; V151-L155 WeakPolarHBondContact O-CB 3.15Å; V151-L155 VanDerWaalsContact O-CG 3.26Å; V151-L155 WeakPolarHBondContact O-CG 3.47Å; V151-L155 PolarHBondContact O-N 3.33Å; I152-L155 PolarHBondContact O-N 3.05Å; I153-L155 PolarHBondContact O-N 2.92Å; L155-L159 WeakPolarHBondContact O-CB 3.25Å; L155-L159 PolarHBondContact O-N 3.47Å; L155-V367 HydrophobicContact CD2-CB 4.24Å; L155-V367 HydrophobicContact CD2-CG1 4.2Å; L155-V367 HydrophobicContact CG-CG1 4.26Å; L155-L368 HydrophobicContact CD1-CD2 3.69Å; L155-L368 HydrophobicContact CD1-CG 4.07Å
156V97.2Very high92.5Very high67 Ų6747.7 Ų47.741%0.40624%0.236SC..Hα-helixtrans-64.6-46.2174.2170.80000110.5I152 I153 T154 L158 L159 F160I152-V156 WeakPolarHBondContact O-CG2 3.31Å; I152-V156 PolarHBondContact O-N 3.43Å; I153-V156 PolarHBondContact O-N 3.41Å; T154-V156 VanDerWaalsContact C-N 3.31Å; T154-V156 PolarHBondContact O-N 3.43Å; V156-L158 PolarHBondContact O-N 3.26Å; V156-L159 PolarHBondContact O-N 2.93Å; V156-F160 HydrophobicContact CG1-CD2 3.78Å; V156-F160 HydrophobicContact CG1-CE2 3.63Å; V156-F160 WeakPolarHBondContact O-CD2 3.43Å; V156-F160 PolarHBondContact O-N 3.17Å
157I96Very high92.3Very high29 Ų2950.7 Ų50.715%0.14925%0.246CC..Hα-helixtrans-60.7-47.3176.8-68.2167.7000110.5V126 I130 I153 T154 L159 F160 L161 T308 I312V126-I157 HydrophobicContact CG1-CB 4.06Å; V126-I157 HydrophobicContact CG1-CD1 4.21Å; V126-I157 HydrophobicContact CG1-CG2 3.72Å; I130-I157 HydrophobicContact CD1-CD1 3.46Å; I130-I157 VanDerWaalsContact CD1-CD1 3.46Å; I130-I157 HydrophobicContact CG1-CD1 3.78Å; I153-I157 HydrophobicContact CG2-CD1 3.93Å; I153-I157 WeakPolarHBondContact O-CG1 3.24Å; I153-I157 PolarHBondContact O-N 3.44Å; T154-I157 PolarHBondContact O-N 2.96Å; I157-L159 VanDerWaalsContact C-N 3.35Å; I157-L159 PolarHBondContact O-N 3.2Å; I157-F160 PolarHBondContact O-N 2.99Å; I157-L161 VanDerWaalsContact O-CB 3.25Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 PolarHBondContact O-N 3.08Å; I157-T308 HydrophobicContact CD1-CG2 3.89Å; I157-I312 HydrophobicContact CG2-CD1 3.91Å; I157-I312 HydrophobicContact CG2-CG1 3.8Å
158L95.9Very high91.5Very high0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-59.7-44.1177-69.2177.3000111.4P122 V126 T154 V156 F160 L161 F162 V367P122-L158 HydrophobicContact CB-CD2 3.76Å; V126-L158 HydrophobicContact CG2-CD2 4.23Å; T154-L158 HydrophobicContact CG2-CD1 4.01Å; T154-L158 HydrophobicContact CG2-CG 4.29Å; T154-L158 VanDerWaalsContact O-CG 3.32Å; T154-L158 WeakPolarHBondContact O-CG 3.34Å; T154-L158 PolarHBondContact O-N 3.14Å; V156-L158 PolarHBondContact O-N 3.26Å; L158-F160 PolarHBondContact O-N 3.41Å; L158-L161 WeakPolarHBondContact O-CB 3.06Å; L158-L161 PolarHBondContact O-N 2.9Å; L158-F162 HydrophobicContact CB-CD2 4.49Å; L158-F162 HydrophobicContact CD2-CE2 4.43Å; L158-F162 WeakPolarHBondContact O-CD2 3.39Å; L158-F162 PolarHBondContact O-N 2.77Å; L158-V367 HydrophobicContact CD1-CG2 3.86Å
159L96.2Very high90.4Very high71 Ų7147.6 Ų47.637%0.37223%0.233SC..Hα-helixtrans-56.8-50.3176.1177.765.6000111.4L155 V156 I157 L161 F162 L163 W360L155-L159 WeakPolarHBondContact O-CB 3.25Å; L155-L159 PolarHBondContact O-N 3.47Å; V156-L159 PolarHBondContact O-N 2.93Å; I157-L159 VanDerWaalsContact C-N 3.35Å; I157-L159 PolarHBondContact O-N 3.2Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 3.14Å; L159-F162 PolarHBondContact O-N 3.05Å; L159-L163 HydrophobicContact CD1-CD1 4.02Å; L159-L163 HydrophobicContact CD1-CG 4.15Å; L159-L163 HydrophobicContact CG-CD1 3.88Å; L159-L163 HydrophobicContact CG-CG 4.4Å; L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 WeakPolarHBondContact O-CG 3.16Å; L159-L163 PolarHBondContact O-N 2.84Å; L159-W360 HydrophobicContact CD1-CZ2 4.01Å
160F93.8Very high89.1Confident123 Ų12349.1 Ų49.154%0.53924%0.242SC..Hα-helixtrans-61.3-41.4176.6-80.4-68.6000112.1V156 I157 L158 F162 L163 I164V156-F160 HydrophobicContact CG1-CD2 3.78Å; V156-F160 HydrophobicContact CG1-CE2 3.63Å; V156-F160 WeakPolarHBondContact O-CD2 3.43Å; V156-F160 PolarHBondContact O-N 3.17Å; I157-F160 PolarHBondContact O-N 2.99Å; L158-F160 PolarHBondContact O-N 3.41Å; F160-F162 PolarHBondContact O-N 3.34Å; F160-L163 PolarHBondContact O-N 3.28Å; F160-I164 VanDerWaalsContact O-CG1 3.3Å; F160-I164 WeakPolarHBondContact O-CG1 3.37Å; F160-I164 PolarHBondContact O-N 3.38Å
161L92.6Very high87.4Confident4 Ų457.9 Ų57.92%0.02128%0.28CS..Hα-helixtrans-58.1-48.6178.8-164.7154000111.4I157 L158 L159 Q165 I312 S315 Q316 I319I157-L161 VanDerWaalsContact O-CB 3.25Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 PolarHBondContact O-N 3.08Å; L158-L161 WeakPolarHBondContact O-CB 3.06Å; L158-L161 PolarHBondContact O-N 2.9Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 3.14Å; L161-Q165 WeakPolarHBondContact O-CG 3.4Å; L161-Q165 PolarHBondContact O-NE2 3.06Å; L161-I312 HydrophobicContact CD1-CB 4.37Å; L161-I312 HydrophobicContact CD1-CG1 4.38Å; L161-I312 HydrophobicContact CD1-CG2 4.07Å; L161-S315 VanDerWaalsContact CD1-CB 3.48Å; L161-Q316 HydrophobicContact CD2-CG 4.43Å; L161-Q316 HydrophobicContact CG-CG 4.34Å; L161-Q316 PolarHBondContact O-NE2 3.45Å; L161-I319 HydrophobicContact CD2-CD1 3.16Å
162F93.5Very high85.9Confident4 Ų459.5 Ų59.52%0.01829%0.29CS..Hα-helixtrans-75.9-27.3179.9-78.6-77.2000113.4L158 L159 F160 I319 N356 L359 W360 C363L158-F162 HydrophobicContact CB-CD2 4.49Å; L158-F162 HydrophobicContact CD2-CE2 4.43Å; L158-F162 WeakPolarHBondContact O-CD2 3.39Å; L158-F162 PolarHBondContact O-N 2.77Å; L159-F162 PolarHBondContact O-N 3.05Å; F160-F162 PolarHBondContact O-N 3.34Å; F162-I319 HydrophobicContact CD1-CD1 4.16Å; F162-I319 HydrophobicContact CE1-CD1 3.53Å; F162-I319 HydrophobicContact CE1-CG1 3.94Å; F162-I319 HydrophobicContact CE1-CG2 4.46Å; F162-I319 HydrophobicContact CE2-CD1 4.22Å; F162-I319 HydrophobicContact CZ-CD1 3.58Å; F162-I319 HydrophobicContact CZ-CG1 4.13Å; F162-N356 WeakPolarHBondContact CD1-OD1 3.33Å; F162-N356 PolarHBondContact O-ND2 2.83Å; F162-L359 HydrophobicContact CE1-CB 3.51Å; F162-L359 HydrophobicContact CZ-CB 3.9Å; F162-W360 HydrophobicContact CB-CB 3.87Å; F162-W360 HydrophobicContact CB-CG 4.05Å; F162-W360 HydrophobicContact CD1-CB 3.76Å; F162-W360 HydrophobicContact CD2-CB 3.77Å; F162-W360 AromaticContact CD2-CD1 3.6Å; F162-W360 HydrophobicContact CD2-CG 4.08Å; F162-W360 HydrophobicContact CE1-CB 4.22Å; F162-W360 HydrophobicContact CE2-CB 4.22Å; F162-W360 HydrophobicContact CG-CB 3.52Å; F162-W360 AromaticContact CG-CD1 3.9Å; F162-W360 HydrophobicContact CG-CG 4.05Å; F162-W360 HydrophobicContact CZ-CB 4.43Å; F162-C363 HydrophobicContact CE2-CB 4.19Å; F162-C363 HydrophobicContact CZ-CB 4.37Å
163L91.6Very high84.4Confident84 Ų8455.6 Ų55.644%0.4428%0.275SS..Hα-helixtrans-70.5-36.9174.3-77.4174.4000112.8L159 F160 Q165 R166L159-L163 HydrophobicContact CD1-CD1 4.02Å; L159-L163 HydrophobicContact CD1-CG 4.15Å; L159-L163 HydrophobicContact CG-CD1 3.88Å; L159-L163 HydrophobicContact CG-CG 4.4Å; L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 WeakPolarHBondContact O-CG 3.16Å; L159-L163 PolarHBondContact O-N 2.84Å; F160-L163 PolarHBondContact O-N 3.28Å; L163-Q165 VanDerWaalsContact C-N 3.28Å; L163-Q165 PolarHBondContact O-N 2.86Å; L163-R166 WeakPolarHBondContact O-CG 3.18Å
164I88.6Confident83.3Confident71 Ų7161.4 Ų61.436%0.36430%0.298SS..Hα-helixtrans-70.6-24.5-177.8-71.1168.6000111.9F160 R166 F167 V172F160-I164 VanDerWaalsContact O-CG1 3.3Å; F160-I164 WeakPolarHBondContact O-CG1 3.37Å; F160-I164 PolarHBondContact O-N 3.38Å; I164-R166 PolarHBondContact O-N 3.01Å; I164-F167 WeakPolarHBondContact O-CD2 3.47Å; I164-F167 PolarHBondContact O-N 3Å; I164-V172 HydrophobicContact CG2-CG2 4.27Å
165Q88.5Confident82.7Confident6 Ų663.6 Ų63.63%0.02832%0.316CS..G310 helixtrans-51-34.7-177.3-60.6-56.5-34.200114.2L161 L163 F167 G168 I319 Y351 N356L161-Q165 WeakPolarHBondContact O-CG 3.4Å; L161-Q165 PolarHBondContact O-NE2 3.06Å; L163-Q165 VanDerWaalsContact C-N 3.28Å; L163-Q165 PolarHBondContact O-N 2.86Å; Q165-F167 PolarHBondContact O-N 3.29Å; Q165-G168 PolarHBondContact O-N 3.4Å; Q165-G168 VanDerWaalsContact O-N 3.11Å; Q165-I319 HydrophobicContact CG-CG2 4.28Å; Q165-Y351 HydrophobicContact CB-CD2 3.96Å; Q165-Y351 HydrophobicContact CB-CE2 3.73Å; Q165-N356 WeakPolarHBondContact CB-OD1 3.43Å; Q165-N356 WeakPolarHBondContact CG-OD1 3.42Å
166R83.3Confident82.1Confident146 Ų14662.4 Ų62.455%0.55131%0.309SS*.G310 helixtrans-62.7-23.8-179.273.8-174.3178.5179.6-4.9114.1L163 I164 G168 Y351L163-R166 WeakPolarHBondContact O-CG 3.18Å; I164-R166 PolarHBondContact O-N 3.01Å; R166-G168 PolarHBondContact O-N 3.3Å; R166-Y351 HydrophobicContact CB-CE1 3.89Å; R166-Y351 HydrophobicContact CB-CE2 4.44Å
167F79.5Confident81.7Confident127 Ų12759.2 Ų59.256%0.55729%0.29SS*.G310 helixtrans-82.5-4.1-179.4-61.7-68.7000112.6I164 Q165I164-F167 WeakPolarHBondContact O-CD2 3.47Å; I164-F167 PolarHBondContact O-N 3Å; Q165-F167 PolarHBondContact O-N 3.29Å
168G70.6Confident81.4Confident8 Ų860.5 Ų60.58%0.08230%0.301CS..  trans78.4160.6-176.100000113.1Q165 R166 D170Q165-G168 PolarHBondContact O-N 3.4Å; Q165-G168 VanDerWaalsContact O-N 3.11Å; R166-G168 PolarHBondContact O-N 3.3Å; G168-D170 VanDerWaalsContact C-N 3.31Å
169T67Low81.3Confident30 Ų3063 Ų6318%0.18431%0.313CS..THydrogen-bonded Turntrans-79.8-10.9179.952.30000113F171 V172 G173 S320 Q349T169-F171 VanDerWaalsContact C-N 3.26Å; T169-F171 PolarHBondContact O-N 3.25Å; T169-V172 PolarHBondContact O-N 2.96Å; T169-V172 VanDerWaalsContact O-N 3.17Å; T169-G173 WeakPolarHBondContact O-CA 3.49Å; T169-G173 PolarHBondContact O-N 3.25Å; T169-S320 WeakPolarHBondContact CG2-OG 3.26Å; T169-Q349 WeakPolarHBondContact OG1-CG 3.43Å
170D65.3Low81.1Confident65 Ų6559.6 Ų59.635%0.34830%0.295SS..Hα-helixtrans-55.1-38.3179.3-107.8-24.4000113.3G168 G344 K345 Q349G168-D170 VanDerWaalsContact C-N 3.31Å; D170-G344 WeakPolarHBondContact OD2-CA 3.47Å; D170-K345 PolarHBondContact OD2-N 2.86Å; D170-Q349 PolarHBondContact OD1-NE2 2.96Å; D170-Q349 PolarHBondContact OD1-OE1 3.49Å; D170-Q349 PolarHBondContact OD2-NE2 3.36Å; D170-Q349 PolarHBondContact OD2-OE1 3.41Å; D170-Q349 VanDerWaalsContact OD2-OE1 3.09Å
171F56.8Low81.1Confident185 Ų18557.5 Ų57.581%0.81129%0.286SS*.Hα-helixtrans-72.7-35.9-178.4-171.6-103.6000112.3T169T169-F171 VanDerWaalsContact C-N 3.26Å; T169-F171 PolarHBondContact O-N 3.25Å
172V62.5Low81.3Confident39 Ų3962.2 Ų62.224%0.23631%0.311CS..Hα-helixtrans-100.7-32.2-170.9-149.10000112.3I164 T169 K174 A175 F176I164-V172 HydrophobicContact CG2-CG2 4.27Å; T169-V172 PolarHBondContact O-N 2.96Å; T169-V172 VanDerWaalsContact O-N 3.17Å; V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 3.03Å; V172-A175 PolarHBondContact O-N 3.5Å; V172-F176 HydrophobicContact CB-CE1 3.77Å; V172-F176 HydrophobicContact CB-CE2 4.37Å; V172-F176 HydrophobicContact CB-CZ 3.65Å; V172-F176 HydrophobicContact CG1-CD1 3.96Å; V172-F176 HydrophobicContact CG1-CE1 3.1Å; V172-F176 HydrophobicContact CG1-CZ 3.42Å; V172-F176 VanDerWaalsContact CG1-CZ 3.42Å; V172-F176 VanDerWaalsContact O-CD1 3.25Å; V172-F176 WeakPolarHBondContact O-CD1 3.41Å; V172-F176 PolarHBondContact O-N 2.89Å
173G65.7Low81.4Confident19 Ų1962 Ų6220%0.19631%0.31CS..Hα-helixtrans-64.1-29.1-17300000114.5T169 A175 F176T169-G173 WeakPolarHBondContact O-CA 3.49Å; T169-G173 PolarHBondContact O-N 3.25Å; G173-A175 VanDerWaalsContact C-N 3.27Å; G173-A175 PolarHBondContact O-N 3.26Å; G173-F176 PolarHBondContact O-N 3.5Å
174K72.2Confident81.6Confident173 Ų17358 Ų5875%0.75229%0.289SS*.Hα-helixtrans-65.1-31.4174.7-68.1-177.9-175.7174.60112.6V172 P178V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 3.03Å; K174-P178 WeakPolarHBondContact O-CD 3.47Å
175A81.9Confident82Confident46 Ų4656.8 Ų56.838%0.3829%0.285SS..Hα-helixtrans-84.5-26.2177.800000112.4V172 G173 G177 P178 I179V172-A175 PolarHBondContact O-N 3.5Å; G173-A175 VanDerWaalsContact C-N 3.27Å; G173-A175 PolarHBondContact O-N 3.26Å; A175-G177 VanDerWaalsContact C-N 3.35Å; A175-G177 PolarHBondContact O-N 3.02Å; A175-P178 WeakPolarHBondContact O-CD 3.48Å; A175-I179 HydrophobicContact CB-CD1 4.04Å; A175-I179 WeakPolarHBondContact O-CB 3.28Å; A175-I179 WeakPolarHBondContact O-CD1 3.49Å; A175-I179 WeakPolarHBondContact O-CG1 3.46Å; A175-I179 PolarHBondContact O-N 3.05Å; A175-I179 VanDerWaalsContact O-N 3.1Å
176F86Confident82.3Confident13 Ų1357.1 Ų57.16%0.05729%0.286CS..Hα-helixtrans-57.8-44.3-177.6-69.2-9.6000113.1V172 G173 I179 M180 I313 Q316V172-F176 HydrophobicContact CB-CE1 3.77Å; V172-F176 HydrophobicContact CB-CE2 4.37Å; V172-F176 HydrophobicContact CB-CZ 3.65Å; V172-F176 HydrophobicContact CG1-CD1 3.96Å; V172-F176 HydrophobicContact CG1-CE1 3.1Å; V172-F176 HydrophobicContact CG1-CZ 3.42Å; V172-F176 VanDerWaalsContact CG1-CZ 3.42Å; V172-F176 VanDerWaalsContact O-CD1 3.25Å; V172-F176 WeakPolarHBondContact O-CD1 3.41Å; V172-F176 PolarHBondContact O-N 2.89Å; G173-F176 PolarHBondContact O-N 3.5Å; F176-I179 PolarHBondContact O-N 3.16Å; F176-M180 WeakPolarHBondContact O-CB 3.38Å; F176-M180 WeakPolarHBondContact O-CG 3.49Å; F176-M180 PolarHBondContact O-N 3.39Å; F176-I313 HydrophobicContact CB-CG2 3.99Å; F176-I313 HydrophobicContact CD1-CB 4.44Å; F176-I313 HydrophobicContact CD1-CD1 3.97Å; F176-I313 HydrophobicContact CD1-CG1 3.61Å; F176-I313 HydrophobicContact CD1-CG2 4.15Å; F176-I313 HydrophobicContact CD2-CG2 4.09Å; F176-I313 HydrophobicContact CE1-CG1 3.76Å; F176-I313 HydrophobicContact CG-CG1 4.21Å; F176-I313 HydrophobicContact CG-CG2 3.85Å; F176-Q316 HydrophobicContact CE2-CB 3.85Å; F176-Q316 HydrophobicContact CE2-CG 4.39Å; F176-Q316 HydrophobicContact CZ-CB 3.87Å; F176-Q316 HydrophobicContact CZ-CG 3.9Å
177G87.1Confident82.9Confident1 Ų150.1 Ų50.11%0.0126%0.26CS..Hα-helixtrans-60-56.2-179.100000113.9L19 A175 I179 M180 F181L19-G177 WeakPolarHBondContact O-CA 3.32Å; A175-G177 VanDerWaalsContact C-N 3.35Å; A175-G177 PolarHBondContact O-N 3.02Å; G177-I179 VanDerWaalsContact C-N 3.34Å; G177-I179 PolarHBondContact O-N 3.38Å; G177-M180 PolarHBondContact O-N 3.25Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 2.73Å
178P91.2Very high83.7Confident56 Ų5644.3 Ų44.336%0.36424%0.235SC..Hα-helixtrans-56.9-42.3174.5-27.634.5000114L19 K174 A175 F181 L182L19-P178 HydrophobicContact CD1-CG 4.45Å; K174-P178 WeakPolarHBondContact O-CD 3.47Å; A175-P178 WeakPolarHBondContact O-CD 3.48Å; P178-F181 PolarHBondContact O-N 3.27Å; P178-L182 WeakPolarHBondContact O-CG 3.34Å; P178-L182 PolarHBondContact O-N 2.8Å
179I92.8Very high84.9Confident51 Ų5148.2 Ų48.226%0.26225%0.254SS..Hα-helixtrans-65.6-44.6-179.8-65.9167.4000110.8A175 F176 G177 L182 W183 F306 I309 I313A175-I179 HydrophobicContact CB-CD1 4.04Å; A175-I179 WeakPolarHBondContact O-CB 3.28Å; A175-I179 WeakPolarHBondContact O-CD1 3.49Å; A175-I179 WeakPolarHBondContact O-CG1 3.46Å; A175-I179 PolarHBondContact O-N 3.05Å; A175-I179 VanDerWaalsContact O-N 3.1Å; F176-I179 PolarHBondContact O-N 3.16Å; G177-I179 VanDerWaalsContact C-N 3.34Å; G177-I179 PolarHBondContact O-N 3.38Å; I179-L182 WeakPolarHBondContact O-CB 3.31Å; I179-L182 PolarHBondContact O-N 3.42Å; I179-W183 PolarHBondContact O-N 3.05Å; I179-F306 HydrophobicContact CG2-CE2 4.09Å; I179-I309 HydrophobicContact CG2-CG2 3.64Å; I179-I313 HydrophobicContact CB-CD1 3.85Å; I179-I313 HydrophobicContact CD1-CD1 4.37Å; I179-I313 HydrophobicContact CG2-CD1 3.49Å; I179-I313 VanDerWaalsContact CG2-CD1 3.49Å
180M92.8Very high86.3Confident0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-68.3-34.9177.6-74.6-57.6-59.400112.3M22 F176 G177 L182 W183 F184 A310 I313M22-M180 HydrophobicContact CB-CB 4.23Å; M22-M180 VanDerWaalsContact O-CB 3.28Å; M22-M180 WeakPolarHBondContact O-CB 3.25Å; M22-M180 WeakPolarHBondContact O-CG 3.45Å; F176-M180 WeakPolarHBondContact O-CB 3.38Å; F176-M180 WeakPolarHBondContact O-CG 3.49Å; F176-M180 PolarHBondContact O-N 3.39Å; G177-M180 PolarHBondContact O-N 3.25Å; M180-L182 VanDerWaalsContact C-N 3.33Å; M180-L182 PolarHBondContact O-N 3.17Å; M180-W183 HydrophobicContact CE-CG 4.37Å; M180-W183 WeakPolarHBondContact O-CB 3.22Å; M180-W183 PolarHBondContact O-N 3.09Å; M180-W183 VanDerWaalsContact O-N 3.15Å; M180-W183 HydrophobicContact SD-CB 4.37Å; M180-W183 HydrophobicContact SD-CG 4.5Å; M180-F184 HydrophobicContact CB-CE2 4.25Å; M180-F184 HydrophobicContact CE-CD2 4.49Å; M180-F184 HydrophobicContact CE-CE2 3.72Å; M180-F184 HydrophobicContact CE-CZ 3.75Å; M180-F184 WeakPolarHBondContact O-CD2 3.29Å; M180-F184 PolarHBondContact O-N 3.39Å; M180-A310 HydrophobicContact SD-CB 4.33Å; M180-I313 HydrophobicContact CG-CB 4.45Å; M180-I313 HydrophobicContact CG-CD1 4.19Å; M180-I313 HydrophobicContact CG-CG2 3.74Å; M180-I313 HydrophobicContact SD-CB 4.22Å; M180-I313 HydrophobicContact SD-CD1 4.27Å; M180-I313 HydrophobicContact SD-CG2 4.05Å
181F94.1Very high87.7Confident80 Ų8044 Ų4435%0.35123%0.23SC..Hα-helixtrans-57.6-48.1171.1173.7-98.6000111.2L19 M22 G177 P178 W183 F184 T185 Y257L19-F181 HydrophobicContact CD2-CB 3.81Å; L19-F181 HydrophobicContact CD2-CG 4.18Å; M22-F181 HydrophobicContact CE-CD2 4.17Å; M22-F181 HydrophobicContact SD-CB 3.88Å; M22-F181 HydrophobicContact SD-CD2 3.69Å; M22-F181 HydrophobicContact SD-CG 4.29Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 2.73Å; P178-F181 PolarHBondContact O-N 3.27Å; F181-W183 VanDerWaalsContact C-N 3.29Å; F181-W183 PolarHBondContact O-N 2.86Å; F181-F184 PolarHBondContact O-N 2.94Å; F181-T185 PolarHBondContact O-N 3.16Å; F181-T185 PolarHBondContact O-OG1 3.42Å; F181-Y257 AromaticContact CD2-CE1 3.76Å; F181-Y257 HydrophobicContact CD2-CE1 3.76Å; F181-Y257 AromaticContact CD2-CZ 3.9Å; F181-Y257 AromaticContact CE2-CE1 3.89Å; F181-Y257 HydrophobicContact CE2-CE1 3.89Å; F181-Y257 HydrophobicContact CE2-CE2 4.25Å; F181-Y257 AromaticContact CE2-CZ 3.62Å; F181-Y257 WeakPolarHBondContact CE2-OH 3.46Å; F181-Y257 PolarHBondContact O-OH 3.32Å
182L95.6Very high89.5Confident102 Ų10239.3 Ų39.353%0.53421%0.213SC..Hα-helixtrans-61.6-37.1174.8-68.2173.2000111.7P178 I179 M180 T185 F186 F306P178-L182 WeakPolarHBondContact O-CG 3.34Å; P178-L182 PolarHBondContact O-N 2.8Å; I179-L182 WeakPolarHBondContact O-CB 3.31Å; I179-L182 PolarHBondContact O-N 3.42Å; M180-L182 VanDerWaalsContact C-N 3.33Å; M180-L182 PolarHBondContact O-N 3.17Å; L182-T185 PolarHBondContact O-N 3.38Å; L182-F186 VanDerWaalsContact O-CB 3.3Å; L182-F186 WeakPolarHBondContact O-CB 3.41Å; L182-F186 PolarHBondContact O-N 2.92Å; L182-F306 VanDerWaalsContact C-CZ 3.47Å; L182-F306 HydrophobicContact CB-CZ 3.8Å
183W95.8Very high91.1Very high0 Ų042.5 Ų42.50%023%0.228CC..Hα-helixtrans-64.1-48.5177.3174.6-108.8000110.9G30 L34 I179 M180 F181 T185 F186 L187 F291 F306 A307 A310G30-W183 PolarHBondContact O-NE1 3.24Å; L34-W183 HydrophobicContact CD2-CH2 4.02Å; L34-W183 HydrophobicContact CD2-CZ2 4.12Å; L34-W183 HydrophobicContact CG-CZ2 4.39Å; I179-W183 PolarHBondContact O-N 3.05Å; M180-W183 HydrophobicContact CE-CG 4.37Å; M180-W183 WeakPolarHBondContact O-CB 3.22Å; M180-W183 PolarHBondContact O-N 3.09Å; M180-W183 VanDerWaalsContact O-N 3.15Å; M180-W183 HydrophobicContact SD-CB 4.37Å; M180-W183 HydrophobicContact SD-CG 4.5Å; F181-W183 VanDerWaalsContact C-N 3.29Å; F181-W183 PolarHBondContact O-N 2.86Å; W183-T185 VanDerWaalsContact C-N 3.33Å; W183-T185 PolarHBondContact O-N 3.22Å; W183-F186 AromaticContact CE3-CD1 3.98Å; W183-F186 HydrophobicContact CE3-CD1 3.98Å; W183-F186 AromaticContact CZ3-CD1 3.83Å; W183-F186 HydrophobicContact CZ3-CD1 3.83Å; W183-F186 AromaticContact CZ3-CE1 3.98Å; W183-F186 HydrophobicContact CZ3-CE1 3.98Å; W183-F186 WeakPolarHBondContact O-CB 3.32Å; W183-F186 PolarHBondContact O-N 3.43Å; W183-F186 VanDerWaalsContact O-N 3.14Å; W183-L187 HydrophobicContact CD2-CG 4.39Å; W183-L187 HydrophobicContact CH2-CD2 4.3Å; W183-L187 HydrophobicContact CZ2-CD2 3.8Å; W183-L187 HydrophobicContact CZ2-CG 4.31Å; W183-L187 WeakPolarHBondContact O-CG 3.29Å; W183-L187 PolarHBondContact O-N 3.27Å; W183-F291 HydrophobicContact CH2-CE1 4.12Å; W183-F291 HydrophobicContact CH2-CE2 4.23Å; W183-F291 AromaticContact CH2-CZ 3.45Å; W183-F291 HydrophobicContact CH2-CZ 3.45Å; W183-F291 VanDerWaalsContact CH2-CZ 3.45Å; W183-F291 HydrophobicContact CZ2-CZ 4.12Å; W183-F291 HydrophobicContact CZ3-CZ 4.24Å; W183-F306 HydrophobicContact CB-CE1 4.49Å; W183-F306 HydrophobicContact CB-CE2 3.89Å; W183-F306 HydrophobicContact CB-CZ 3.81Å; W183-F306 HydrophobicContact CE3-CB 4.24Å; W183-F306 AromaticContact CE3-CD1 3.68Å; W183-F306 HydrophobicContact CE3-CD1 3.68Å; W183-F306 AromaticContact CE3-CD2 3.74Å; W183-F306 HydrophobicContact CE3-CD2 3.74Å; W183-F306 AromaticContact CE3-CE1 3.98Å; W183-F306 HydrophobicContact CE3-CE1 3.98Å; W183-F306 HydrophobicContact CE3-CE2 4.02Å; W183-F306 AromaticContact CE3-CG 3.58Å; W183-F306 HydrophobicContact CE3-CG 3.58Å; W183-F306 HydrophobicContact CE3-CZ 4.16Å; W183-F306 HydrophobicContact CZ3-CB 4.03Å; W183-F306 HydrophobicContact CZ3-CD1 4.07Å; W183-F306 HydrophobicContact CZ3-CD2 4.37Å; W183-F306 AromaticContact CZ3-CG 3.88Å; W183-F306 HydrophobicContact CZ3-CG 3.88Å; W183-A307 HydrophobicContact CH2-CB 3.8Å; W183-A307 HydrophobicContact CZ3-CB 4.24Å; W183-A310 HydrophobicContact CD2-CB 3.6Å; W183-A310 HydrophobicContact CE3-CB 4.04Å; W183-A310 HydrophobicContact CG-CB 3.88Å; W183-A310 HydrophobicContact CH2-CB 4.49Å; W183-A310 HydrophobicContact CZ2-CB 4.12Å; W183-A310 HydrophobicContact CZ3-CB 4.46Å
184F95.9Very high92.5Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-61.3-41.5174.6-70.6-59.8000112M22 M180 F181 F186 L187 G188 Y257 V258 C261 L262M22-F184 HydrophobicContact CB-CE2 4.32Å; M180-F184 HydrophobicContact CB-CE2 4.25Å; M180-F184 HydrophobicContact CE-CD2 4.49Å; M180-F184 HydrophobicContact CE-CE2 3.72Å; M180-F184 HydrophobicContact CE-CZ 3.75Å; M180-F184 WeakPolarHBondContact O-CD2 3.29Å; M180-F184 PolarHBondContact O-N 3.39Å; F181-F184 PolarHBondContact O-N 2.94Å; F184-F186 VanDerWaalsContact C-N 3.3Å; F184-F186 PolarHBondContact O-N 3.19Å; F184-L187 HydrophobicContact CD1-CD1 4.19Å; F184-L187 PolarHBondContact O-N 3.3Å; F184-G188 PolarHBondContact O-N 2.96Å; F184-Y257 HydrophobicContact CB-CE1 3.74Å; F184-Y257 HydrophobicContact CG-CE1 4.49Å; F184-V258 HydrophobicContact CD1-CG1 4.11Å; F184-V258 HydrophobicContact CD1-CG2 4.39Å; F184-V258 HydrophobicContact CD2-CG2 3.98Å; F184-V258 HydrophobicContact CE1-CB 4.41Å; F184-V258 HydrophobicContact CE1-CG1 3.57Å; F184-V258 HydrophobicContact CE1-CG2 4.28Å; F184-V258 HydrophobicContact CE2-CG1 4.48Å; F184-V258 HydrophobicContact CE2-CG2 3.87Å; F184-V258 HydrophobicContact CG-CG2 4.27Å; F184-V258 HydrophobicContact CZ-CG1 3.8Å; F184-V258 HydrophobicContact CZ-CG2 4.04Å; F184-C261 HydrophobicContact CB-CB 4.07Å; F184-C261 HydrophobicContact CD1-CB 4.43Å; F184-C261 VanDerWaalsContact O-CB 3.25Å; F184-C261 WeakPolarHBondContact O-CB 3.25Å; F184-C261 PolarHBondContact O-SG 2.87Å; F184-L262 HydrophobicContact CE1-CD2 4.4Å
185T96.7Very high93.5Very high45 Ų4534.8 Ų34.828%0.27619%0.19SC..Hα-helixtrans-59.7-44.2173.9-540000110.9F181 L182 W183 G188 L189 Y257F181-T185 PolarHBondContact O-N 3.16Å; F181-T185 PolarHBondContact O-OG1 3.42Å; L182-T185 PolarHBondContact O-N 3.38Å; W183-T185 VanDerWaalsContact C-N 3.33Å; W183-T185 PolarHBondContact O-N 3.22Å; T185-G188 PolarHBondContact O-N 3.16Å; T185-L189 HydrophobicContact CG2-CD1 3.9Å; T185-L189 HydrophobicContact CG2-CG 4.24Å; T185-L189 WeakPolarHBondContact O-CB 3.4Å; T185-L189 VanDerWaalsContact O-CG 3.26Å; T185-L189 WeakPolarHBondContact O-CG 3.24Å; T185-L189 PolarHBondContact O-N 3.27Å; T185-Y257 PolarHBondContact N-OH 2.84Å; T185-Y257 PolarHBondContact OG1-OH 3.25Å
186F95.8Very high94.1Very high13 Ų1336.3 Ų36.36%0.05720%0.196CC..Hα-helixtrans-61.8-46.1177.3173.3-101.5000112L182 W183 F184 G188 L189 M190 F291 L295 W299 F302 F306L182-F186 VanDerWaalsContact O-CB 3.3Å; L182-F186 WeakPolarHBondContact O-CB 3.41Å; L182-F186 PolarHBondContact O-N 2.92Å; W183-F186 AromaticContact CE3-CD1 3.98Å; W183-F186 HydrophobicContact CE3-CD1 3.98Å; W183-F186 AromaticContact CZ3-CD1 3.83Å; W183-F186 HydrophobicContact CZ3-CD1 3.83Å; W183-F186 AromaticContact CZ3-CE1 3.98Å; W183-F186 HydrophobicContact CZ3-CE1 3.98Å; W183-F186 WeakPolarHBondContact O-CB 3.32Å; W183-F186 PolarHBondContact O-N 3.43Å; W183-F186 VanDerWaalsContact O-N 3.14Å; F184-F186 VanDerWaalsContact C-N 3.3Å; F184-F186 PolarHBondContact O-N 3.19Å; F186-G188 VanDerWaalsContact C-N 3.35Å; F186-G188 PolarHBondContact O-N 2.69Å; F186-L189 PolarHBondContact O-N 3.04Å; F186-M190 HydrophobicContact CD1-CG 4.44Å; F186-M190 HydrophobicContact CD2-CE 4.24Å; F186-M190 HydrophobicContact CD2-CG 4.11Å; F186-M190 HydrophobicContact CE1-CG 4.12Å; F186-M190 HydrophobicContact CE2-CE 3.98Å; F186-M190 HydrophobicContact CE2-CG 3.76Å; F186-M190 HydrophobicContact CE2-SD 4.02Å; F186-M190 HydrophobicContact CG-CG 4.44Å; F186-M190 HydrophobicContact CZ-CG 3.78Å; F186-M190 HydrophobicContact CZ-SD 4.3Å; F186-M190 WeakPolarHBondContact O-CB 3.14Å; F186-M190 WeakPolarHBondContact O-CG 3.31Å; F186-M190 PolarHBondContact O-N 2.88Å; F186-F291 HydrophobicContact CE1-CZ 4.13Å; F186-L295 HydrophobicContact CE1-CD2 4.2Å; F186-L295 HydrophobicContact CE2-CD2 4.38Å; F186-L295 HydrophobicContact CZ-CD2 3.53Å; F186-W299 HydrophobicContact CE2-CE3 4.26Å; F186-W299 HydrophobicContact CE2-CZ3 4.37Å; F186-F302 HydrophobicContact CD2-CE1 4.08Å; F186-F302 HydrophobicContact CE2-CD1 4.08Å; F186-F302 AromaticContact CE2-CE1 3.89Å; F186-F302 HydrophobicContact CE2-CE1 3.89Å; F186-F302 HydrophobicContact CZ-CD1 4.49Å; F186-F306 HydrophobicContact CB-CD1 4.11Å; F186-F306 HydrophobicContact CB-CE1 3.6Å; F186-F306 AromaticContact CD1-CD1 3.91Å; F186-F306 HydrophobicContact CD1-CD1 3.91Å; F186-F306 HydrophobicContact CD1-CE1 4.24Å; F186-F306 HydrophobicContact CD2-CD1 4.32Å; F186-F306 HydrophobicContact CD2-CE1 4.49Å; F186-F306 HydrophobicContact CE1-CD1 4.4Å; F186-F306 AromaticContact CG-CD1 3.86Å; F186-F306 HydrophobicContact CG-CD1 3.86Å; F186-F306 AromaticContact CG-CE1 3.88Å; F186-F306 HydrophobicContact CG-CE1 3.88Å
187L96.1Very high94.3Very high0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-55.8-48.9173.8-69.7-178.3000111.8P33 W183 F184 G191 L262 N265 F291P33-L187 HydrophobicContact CB-CD2 4.41Å; P33-L187 HydrophobicContact CG-CD1 4.1Å; P33-L187 HydrophobicContact CG-CD2 4.5Å; W183-L187 HydrophobicContact CD2-CG 4.39Å; W183-L187 HydrophobicContact CH2-CD2 4.3Å; W183-L187 HydrophobicContact CZ2-CD2 3.8Å; W183-L187 HydrophobicContact CZ2-CG 4.31Å; W183-L187 WeakPolarHBondContact O-CG 3.29Å; W183-L187 PolarHBondContact O-N 3.27Å; F184-L187 HydrophobicContact CD1-CD1 4.19Å; F184-L187 PolarHBondContact O-N 3.3Å; L187-G191 PolarHBondContact O-N 3.46Å; L187-L262 HydrophobicContact CD1-CD2 4.06Å; L187-N265 HydrophobicContact CB-CB 4.13Å; L187-N265 WeakPolarHBondContact O-CB 3.08Å; L187-N265 PolarHBondContact O-ND2 3.03Å; L187-F291 HydrophobicContact CD2-CD2 4.43Å; L187-F291 HydrophobicContact CD2-CE2 3.47Å; L187-F291 VanDerWaalsContact CD2-CE2 3.47Å; L187-F291 HydrophobicContact CD2-CZ 4.17Å
188G96.4Very high94.5Very high4 Ų443.2 Ų43.24%0.04123%0.225CC..Hα-helixtrans-62.9-42.7178.900000112.7F184 T185 F186 G191 I192F184-G188 PolarHBondContact O-N 2.96Å; T185-G188 PolarHBondContact O-N 3.16Å; F186-G188 VanDerWaalsContact C-N 3.35Å; F186-G188 PolarHBondContact O-N 2.69Å; G188-G191 PolarHBondContact O-N 2.94Å; G188-I192 VanDerWaalsContact O-CG1 3.27Å; G188-I192 WeakPolarHBondContact O-CG1 3.32Å; G188-I192 PolarHBondContact O-N 2.95Å
189L96.2Very high94.6Very high90 Ų9046.9 Ų46.947%0.47124%0.236SC..Hα-helixtrans-64.9-49.9177.2-74.5172.9000112T185 F186 G191 I192 L193T185-L189 HydrophobicContact CG2-CD1 3.9Å; T185-L189 HydrophobicContact CG2-CG 4.24Å; T185-L189 WeakPolarHBondContact O-CB 3.4Å; T185-L189 VanDerWaalsContact O-CG 3.26Å; T185-L189 WeakPolarHBondContact O-CG 3.24Å; T185-L189 PolarHBondContact O-N 3.27Å; F186-L189 PolarHBondContact O-N 3.04Å; L189-G191 PolarHBondContact O-N 3.28Å; L189-I192 PolarHBondContact O-N 3.34Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.37Å; L189-L193 PolarHBondContact O-N 2.94Å
190M94.9Very high94.5Very high6 Ų645.1 Ų45.13%0.0323%0.227CC..Hα-helixtrans-60.1-35.4176.8-66-58.2108.700111.2F186 L193 N194 I294 L295 P296 W299F186-M190 HydrophobicContact CD1-CG 4.44Å; F186-M190 HydrophobicContact CD2-CE 4.24Å; F186-M190 HydrophobicContact CD2-CG 4.11Å; F186-M190 HydrophobicContact CE1-CG 4.12Å; F186-M190 HydrophobicContact CE2-CE 3.98Å; F186-M190 HydrophobicContact CE2-CG 3.76Å; F186-M190 HydrophobicContact CE2-SD 4.02Å; F186-M190 HydrophobicContact CG-CG 4.44Å; F186-M190 HydrophobicContact CZ-CG 3.78Å; F186-M190 HydrophobicContact CZ-SD 4.3Å; F186-M190 WeakPolarHBondContact O-CB 3.14Å; F186-M190 WeakPolarHBondContact O-CG 3.31Å; F186-M190 PolarHBondContact O-N 2.88Å; M190-L193 HydrophobicContact CE-CD1 3.78Å; M190-N194 PolarHBondContact O-N 3.33Å; M190-N194 PolarHBondContact O-ND2 2.86Å; M190-I294 HydrophobicContact CB-CD1 3.92Å; M190-L295 HydrophobicContact CG-CD2 3.87Å; M190-L295 HydrophobicContact SD-CD2 3.75Å; M190-P296 HydrophobicContact SD-CG 4.47Å; M190-W299 HydrophobicContact CE-CE3 4.49Å; M190-W299 HydrophobicContact CE-CZ3 4.31Å
191G95.1Very high94.5Very high0 Ų045.2 Ų45.20%023%0.228CC..Hα-helixtrans-59.4-57.6170.500000112.9L187 G188 L189 L193 N194 I195 L264 G268L187-G191 PolarHBondContact O-N 3.46Å; G188-G191 PolarHBondContact O-N 2.94Å; L189-G191 PolarHBondContact O-N 3.28Å; G191-L193 VanDerWaalsContact C-N 3.3Å; G191-L193 PolarHBondContact O-N 3.42Å; G191-N194 PolarHBondContact O-N 3.36Å; G191-N194 VanDerWaalsContact O-N 3.12Å; G191-I195 WeakPolarHBondContact O-CG1 3.46Å; G191-I195 PolarHBondContact O-N 3.44Å; G191-I195 VanDerWaalsContact O-N 3.09Å; G191-L264 WeakPolarHBondContact CA-O 3.37Å; G191-G268 WeakPolarHBondContact O-CA 2.92Å
192I95.4Very high94.4Very high88 Ų8845.9 Ų45.945%0.45123%0.234SC..Hα-helixtrans-57.9-40.7-179-70.7165.1000112.1G188 L189 N194 P196 L264G188-I192 VanDerWaalsContact O-CG1 3.27Å; G188-I192 WeakPolarHBondContact O-CG1 3.32Å; G188-I192 PolarHBondContact O-N 2.95Å; L189-I192 PolarHBondContact O-N 3.34Å; I192-N194 PolarHBondContact O-N 3.18Å; I192-P196 WeakPolarHBondContact O-CD 3.49Å; I192-L264 HydrophobicContact CD1-CD1 3.85Å; I192-L264 HydrophobicContact CG1-CD1 3.93Å; I192-L264 HydrophobicContact CG1-CD2 3.96Å; I192-L264 HydrophobicContact CG1-CG 4.4Å
193L94.9Very high94.3Very high105 Ų10546.6 Ų46.655%0.5523%0.233SC..Hα-helixtrans-64.9-27.7-179.5-70.3173.9000112.9L189 M190 G191L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.37Å; L189-L193 PolarHBondContact O-N 2.94Å; M190-L193 HydrophobicContact CE-CD1 3.78Å; G191-L193 VanDerWaalsContact C-N 3.3Å; G191-L193 PolarHBondContact O-N 3.42Å
194N94.9Very high94.1Very high9 Ų946.7 Ų46.75%0.04823%0.234CC..Hα-helixtrans-96.4-22.9-177.6-77.3-92.8000113.7M190 G191 I192 P196 Y197 G268 A271 I294M190-N194 PolarHBondContact O-N 3.33Å; M190-N194 PolarHBondContact O-ND2 2.86Å; G191-N194 PolarHBondContact O-N 3.36Å; G191-N194 VanDerWaalsContact O-N 3.12Å; I192-N194 PolarHBondContact O-N 3.18Å; N194-P196 VanDerWaalsContact C-N 3.29Å; N194-Y197 HydrophobicContact CB-CD2 4.12Å; N194-Y197 HydrophobicContact CB-CE2 4.41Å; N194-Y197 WeakPolarHBondContact O-CB 3.26Å; N194-Y197 VanDerWaalsContact O-CD2 3.24Å; N194-Y197 WeakPolarHBondContact O-CD2 3.48Å; N194-Y197 PolarHBondContact O-N 2.66Å; N194-Y197 VanDerWaalsContact OD1-CE2 3.31Å; N194-Y197 WeakPolarHBondContact OD1-CE2 3.38Å; N194-G268 WeakPolarHBondContact CB-O 3.26Å; N194-A271 WeakPolarHBondContact O-CB 3.32Å; N194-I294 PolarHBondContact ND2-O 3.5Å
195I94Very high94Very high22 Ų2251 Ų5111%0.11326%0.257CS..G310 helixtrans-50.9-39.5176.6-73.1167.8000113.5G191 Y197 D198 F199 V201 L264 A267G191-I195 WeakPolarHBondContact O-CG1 3.46Å; G191-I195 PolarHBondContact O-N 3.44Å; G191-I195 VanDerWaalsContact O-N 3.09Å; I195-Y197 PolarHBondContact O-N 2.85Å; I195-D198 CarbonylContact O-C 3.32Å; I195-D198 VanDerWaalsContact O-C 3.32Å; I195-D198 PolarHBondContact O-N 2.9Å; I195-D198 VanDerWaalsContact O-N 3.13Å; I195-F199 HydrophobicContact CG2-CD1 4.2Å; I195-F199 HydrophobicContact CG2-CE1 4.3Å; I195-V201 HydrophobicContact CG1-CG2 4.39Å; I195-V201 HydrophobicContact CG2-CG2 4.39Å; I195-L264 HydrophobicContact CD1-CD2 3.84Å; I195-A267 HydrophobicContact CD1-CB 4.2Å; I195-A267 HydrophobicContact CG1-CB 4.18Å
196P94.5Very high93.9Very high78 Ų7852.9 Ų52.951%0.50627%0.265SS..G310 helixtrans-57.7-19.1177.7-28.736.3000115.6I192 N194 D198 F199I192-P196 WeakPolarHBondContact O-CD 3.49Å; N194-P196 VanDerWaalsContact C-N 3.29Å; P196-D198 VanDerWaalsContact C-N 3.33Å; P196-D198 PolarHBondContact O-N 3.18Å; P196-F199 HydrophobicContact CB-CE2 4.4Å; P196-F199 HydrophobicContact CB-CZ 4.32Å
197Y91.2Very high93.8Very high123 Ų12354.7 Ų54.748%0.48228%0.278SS..G310 helixtrans-64.4-35.3175.3-71.3-58.1000112.8N194 I195 H275N194-Y197 HydrophobicContact CB-CD2 4.12Å; N194-Y197 HydrophobicContact CB-CE2 4.41Å; N194-Y197 WeakPolarHBondContact O-CB 3.26Å; N194-Y197 VanDerWaalsContact O-CD2 3.24Å; N194-Y197 WeakPolarHBondContact O-CD2 3.48Å; N194-Y197 PolarHBondContact O-N 2.66Å; N194-Y197 VanDerWaalsContact OD1-CE2 3.31Å; N194-Y197 WeakPolarHBondContact OD1-CE2 3.38Å; I195-Y197 PolarHBondContact O-N 2.85Å; Y197-H275 HydrophobicContact CD1-CB 4.46Å; Y197-H275 AromaticContact CD1-CD2 3.86Å; Y197-H275 AromaticContact CD1-CG 3.86Å; Y197-H275 AromaticContact CE1-NE2 3.99Å; Y197-H275 HydrophobicContact CG-CB 4.28Å
198D90.5Very high93.7Very high35 Ų3561.1 Ų61.119%0.18730%0.303CS..  trans-155.2101.3171.3-168.9-24.7000111.2K52 I195 P196 S200 V201 L274K52-D198 IonicContact NZ-OD1 3.49Å; K52-D198 PolarHBondContact NZ-OD1 3.25Å; K52-D198 IonicContact NZ-OD2 2.74Å; K52-D198 PolarHBondContact NZ-OD2 2.79Å; I195-D198 CarbonylContact O-C 3.32Å; I195-D198 VanDerWaalsContact O-C 3.32Å; I195-D198 PolarHBondContact O-N 2.9Å; I195-D198 VanDerWaalsContact O-N 3.13Å; P196-D198 VanDerWaalsContact C-N 3.33Å; P196-D198 PolarHBondContact O-N 3.18Å; D198-S200 PolarHBondContact O-N 2.83Å; D198-S200 WeakPolarHBondContact OD1-CA 3.46Å; D198-S200 WeakPolarHBondContact OD1-CB 3.49Å; D198-S200 PolarHBondContact OD1-N 3.08Å; D198-S200 PolarHBondContact OD1-OG 3.28Å; D198-S200 PolarHBondContact OD2-OG 3.47Å; D198-V201 WeakPolarHBondContact O-CG1 3.18Å; D198-V201 WeakPolarHBondContact O-CG2 3.39Å; D198-V201 PolarHBondContact O-N 3.29Å; D198-L274 HydrophobicContact CB-CB 4.47Å; D198-L274 HydrophobicContact CB-CD1 4.24Å
199F92.6Very high93.6Very high134 Ų13463 Ų6359%0.58831%0.309SS*.G310 helixtrans-62.7-12.3177.9-75.5-82.1000114.7I195 P196 V201 I202I195-F199 HydrophobicContact CG2-CD1 4.2Å; I195-F199 HydrophobicContact CG2-CE1 4.3Å; P196-F199 HydrophobicContact CB-CE2 4.4Å; P196-F199 HydrophobicContact CB-CZ 4.32Å; F199-V201 PolarHBondContact O-N 2.98Å; F199-I202 HydrophobicContact CD1-CD1 4.36Å; F199-I202 PolarHBondContact O-N 3.29Å
200S92.1Very high93.4Very high13 Ų1359 Ų599%0.09129%0.289CS..G310 helixtrans-66.5-16.6177.5720000113.3K52 L56 D198 I202 K203K52-S200 WeakPolarHBondContact CE-OG 2.78Å; K52-S200 PolarHBondContact NZ-OG 3.44Å; L56-S200 WeakPolarHBondContact CD2-O 3.02Å; D198-S200 PolarHBondContact O-N 2.83Å; D198-S200 WeakPolarHBondContact OD1-CA 3.46Å; D198-S200 WeakPolarHBondContact OD1-CB 3.49Å; D198-S200 PolarHBondContact OD1-N 3.08Å; D198-S200 PolarHBondContact OD1-OG 3.28Å; D198-S200 PolarHBondContact OD2-OG 3.47Å; S200-I202 PolarHBondContact O-N 3.38Å; S200-I202 VanDerWaalsContact O-N 3.15Å; S200-K203 WeakPolarHBondContact O-CB 3.44Å; S200-K203 WeakPolarHBondContact O-CG 3.48Å; S200-K203 PolarHBondContact O-N 3.24Å
201V92.4Very high93.3Very high2 Ų263.6 Ų63.61%0.01231%0.313CS..G310 helixtrans-57.2-27.7174.6-61.80000113.3L56 I195 D198 F199 K203 A204 A267 A270 A271 L274L56-V201 HydrophobicContact CD2-CG1 4.39Å; I195-V201 HydrophobicContact CG1-CG2 4.39Å; I195-V201 HydrophobicContact CG2-CG2 4.39Å; D198-V201 WeakPolarHBondContact O-CG1 3.18Å; D198-V201 WeakPolarHBondContact O-CG2 3.39Å; D198-V201 PolarHBondContact O-N 3.29Å; F199-V201 PolarHBondContact O-N 2.98Å; V201-K203 PolarHBondContact O-N 3.19Å; V201-A204 WeakPolarHBondContact O-CB 3.46Å; V201-A204 PolarHBondContact O-N 2.96Å; V201-A267 HydrophobicContact CB-CB 4.47Å; V201-A267 HydrophobicContact CG2-CB 4.07Å; V201-A270 HydrophobicContact CG1-CB 3.89Å; V201-A271 HydrophobicContact CG1-CB 3.92Å; V201-A271 HydrophobicContact CG2-CB 4.45Å; V201-L274 HydrophobicContact CG1-CD1 4.12Å
202I92.4Very high93.2Very high94 Ų9466.8 Ų66.848%0.48233%0.328SS..G310 helixtrans-63.4-27.8175.9-60.3173.1000111.2F199 S200 A204 L205F199-I202 HydrophobicContact CD1-CD1 4.36Å; F199-I202 PolarHBondContact O-N 3.29Å; S200-I202 PolarHBondContact O-N 3.38Å; S200-I202 VanDerWaalsContact O-N 3.15Å; I202-A204 PolarHBondContact O-N 2.88Å; I202-A204 VanDerWaalsContact O-N 3.17Å; I202-L205 HydrophobicContact CG2-CD1 4.22Å; I202-L205 WeakPolarHBondContact O-CB 3.5Å; I202-L205 WeakPolarHBondContact O-CG 3.4Å; I202-L205 PolarHBondContact O-N 2.75Å; I202-L205 VanDerWaalsContact O-N 3.16Å
203K92.8Very high93.1Very high118 Ų11862.6 Ų62.651%0.51331%0.306SS..G310 helixtrans-62.6-22.2176.5-59.2-175.4-178.7-179.40112.3S200 V201 L205 N206 Y209S200-K203 WeakPolarHBondContact O-CB 3.44Å; S200-K203 WeakPolarHBondContact O-CG 3.48Å; S200-K203 PolarHBondContact O-N 3.24Å; V201-K203 PolarHBondContact O-N 3.19Å; K203-L205 PolarHBondContact O-N 2.95Å; K203-L205 VanDerWaalsContact O-N 3.11Å; K203-N206 WeakPolarHBondContact O-CB 3.43Å; K203-N206 PolarHBondContact O-N 3.48Å; K203-Y209 HydrophobicContact CB-CD2 4.39Å; K203-Y209 HydrophobicContact CB-CE2 3.58Å; K203-Y209 WeakPolarHBondContact CD-OH 3.33Å; K203-Y209 WeakPolarHBondContact O-CD2 3.44Å; K203-Y209 VanDerWaalsContact O-CE2 3.24Å; K203-Y209 WeakPolarHBondContact O-CE2 3.47Å
204A92.4Very high92.8Very high2 Ų259.3 Ų59.32%0.01729%0.289CS..G310 helixtrans-59.3-20.9175.900000113.4L56 V59 S60 V201 I202 N206L56-A204 WeakPolarHBondContact O-CB 3.37Å; V59-A204 HydrophobicContact CB-CB 3.83Å; V59-A204 HydrophobicContact CG1-CB 3.71Å; S60-A204 WeakPolarHBondContact CA-O 3.48Å; S60-A204 WeakPolarHBondContact CB-O 3.2Å; S60-A204 PolarHBondContact OG-O 3.38Å; V201-A204 WeakPolarHBondContact O-CB 3.46Å; V201-A204 PolarHBondContact O-N 2.96Å; I202-A204 PolarHBondContact O-N 2.88Å; I202-A204 VanDerWaalsContact O-N 3.17Å; A204-N206 PolarHBondContact O-N 2.95Å
205L92.8Very high92.6Very high91 Ų9166.5 Ų66.548%0.47632%0.32SS..G310 helixtrans-61.3-23.7172.4-62.5178.6000112.6F63 W64 I202 K203F63-L205 HydrophobicContact CD1-CD2 4.26Å; F63-L205 HydrophobicContact CD2-CD2 3.5Å; F63-L205 VanDerWaalsContact CD2-CD2 3.5Å; F63-L205 HydrophobicContact CE1-CD2 4.13Å; F63-L205 HydrophobicContact CE2-CD2 3.37Å; F63-L205 HydrophobicContact CG-CD2 3.98Å; F63-L205 HydrophobicContact CZ-CD2 3.72Å; W64-L205 WeakPolarHBondContact CZ2-O 3.21Å; W64-L205 PolarHBondContact NE1-O 2.85Å; I202-L205 HydrophobicContact CG2-CD1 4.22Å; I202-L205 WeakPolarHBondContact O-CB 3.5Å; I202-L205 WeakPolarHBondContact O-CG 3.4Å; I202-L205 PolarHBondContact O-N 2.75Å; I202-L205 VanDerWaalsContact O-N 3.16Å; K203-L205 PolarHBondContact O-N 2.95Å; K203-L205 VanDerWaalsContact O-N 3.11Å
206N94.4Very high92.3Very high84 Ų8466.3 Ų66.345%0.44932%0.319SS..SBendtrans-77.9121.9174.5-175.8-19.4000110.3S60 K203 A204 Y208 Y209S60-N206 PolarHBondContact OG-O 3.48Å; S60-N206 VanDerWaalsContact OG-O 3.05Å; K203-N206 WeakPolarHBondContact O-CB 3.43Å; K203-N206 PolarHBondContact O-N 3.48Å; A204-N206 PolarHBondContact O-N 2.95Å; N206-Y208 PolarHBondContact O-N 3.49Å; N206-Y208 WeakPolarHBondContact OD1-CB 3.19Å; N206-Y208 PolarHBondContact OD1-N 2.81Å; N206-Y209 HydrophobicContact CB-CD2 4.1Å; N206-Y209 HydrophobicContact CB-CE2 4.28Å; N206-Y209 PolarHBondContact O-N 3.43Å
207P93.2Very high91.9Very high50 Ų5068.4 Ų68.433%0.32533%0.333SS..Hα-helixtrans-64-13.7-177.926.2-33.5000113.4W64 Y209 A210 I211W64-P207 HydrophobicContact CD2-CB 4.12Å; W64-P207 HydrophobicContact CG-CB 4.29Å; W64-P207 HydrophobicContact CZ2-CB 4.16Å; W64-P207 HydrophobicContact CZ2-CG 3.92Å; P207-Y209 PolarHBondContact O-N 2.91Å; P207-A210 WeakPolarHBondContact O-CB 3.18Å; P207-A210 PolarHBondContact O-N 3.41Å; P207-I211 WeakPolarHBondContact O-CG1 3.47Å; P207-I211 PolarHBondContact O-N 2.88Å
208Y94.5Very high91.6Very high136 Ų13665.1 Ų65.153%0.53332%0.324SS..Hα-helixtrans-51.5-43.9171.2173.2-98.8000112.1N206 A210 I211 H212N206-Y208 PolarHBondContact O-N 3.49Å; N206-Y208 WeakPolarHBondContact OD1-CB 3.19Å; N206-Y208 PolarHBondContact OD1-N 2.81Å; Y208-A210 PolarHBondContact O-N 3.34Å; Y208-I211 PolarHBondContact O-N 3.38Å; Y208-H212 HydrophobicContact CE1-CB 4.46Å; Y208-H212 WeakPolarHBondContact O-CB 3.46Å; Y208-H212 PolarHBondContact O-N 3.03Å
209Y94.3Very high91.4Very high43 Ų4363.8 Ų63.817%0.16932%0.316CS..Hα-helixtrans-65.9-40.1-179.3-70.8-82.6000111.8L56 G57 K203 N206 P207 H212 L213L56-Y209 HydrophobicContact CB-CD1 3.84Å; L56-Y209 HydrophobicContact CB-CE1 4.3Å; L56-Y209 HydrophobicContact CB-CG 4.36Å; L56-Y209 HydrophobicContact CD1-CD1 4.3Å; L56-Y209 HydrophobicContact CD1-CE1 3.9Å; G57-Y209 WeakPolarHBondContact CA-O 3.4Å; K203-Y209 HydrophobicContact CB-CD2 4.39Å; K203-Y209 HydrophobicContact CB-CE2 3.58Å; K203-Y209 WeakPolarHBondContact CD-OH 3.33Å; K203-Y209 WeakPolarHBondContact O-CD2 3.44Å; K203-Y209 VanDerWaalsContact O-CE2 3.24Å; K203-Y209 WeakPolarHBondContact O-CE2 3.47Å; N206-Y209 HydrophobicContact CB-CD2 4.1Å; N206-Y209 HydrophobicContact CB-CE2 4.28Å; N206-Y209 PolarHBondContact O-N 3.43Å; P207-Y209 PolarHBondContact O-N 2.91Å; Y209-H212 PolarHBondContact O-N 2.99Å; Y209-L213 WeakPolarHBondContact O-CB 3.33Å; Y209-L213 PolarHBondContact O-N 3.35Å
210A92.5Very high91Very high6 Ų663.3 Ų63.35%0.0531%0.314CS..Hα-helixtrans-60.5-50.1175.800000111.8S60 L61 P207 Y208 L213 L214S60-A210 VanDerWaalsContact OG-CB 3.31Å; S60-A210 WeakPolarHBondContact OG-CB 3.43Å; S60-A210 PolarHBondContact OG-N 3.01Å; S60-A210 VanDerWaalsContact OG-N 3.16Å; L61-A210 HydrophobicContact CB-CB 4.44Å; L61-A210 HydrophobicContact CD2-CB 3.65Å; L61-A210 HydrophobicContact CG-CB 3.72Å; P207-A210 WeakPolarHBondContact O-CB 3.18Å; P207-A210 PolarHBondContact O-N 3.41Å; Y208-A210 PolarHBondContact O-N 3.34Å; A210-L213 PolarHBondContact O-N 3.43Å; A210-L214 WeakPolarHBondContact O-CG 3.5Å; A210-L214 PolarHBondContact O-N 2.96Å
211I92.2Very high90.6Very high102 Ų10265.9 Ų65.952%0.52333%0.325SS..Hα-helixtrans-65.1-43.4179.3-63.4169.8000110.3P207 Y208 L213 L214 F215P207-I211 WeakPolarHBondContact O-CG1 3.47Å; P207-I211 PolarHBondContact O-N 2.88Å; Y208-I211 PolarHBondContact O-N 3.38Å; I211-L213 VanDerWaalsContact C-N 3.32Å; I211-L213 PolarHBondContact O-N 3.32Å; I211-L214 PolarHBondContact O-N 3.32Å; I211-F215 HydrophobicContact CG2-CD2 4.44Å; I211-F215 HydrophobicContact CG2-CE2 4.18Å; I211-F215 VanDerWaalsContact O-CD2 3.24Å; I211-F215 WeakPolarHBondContact O-CD2 3.45Å
212H93Very high90.4Very high68 Ų6866.8 Ų66.832%0.31534%0.336SS..Hα-helixtrans-60.2-43-179.4-175.666.1000111.6Y208 Y209 L214 F215 N216Y208-H212 HydrophobicContact CE1-CB 4.46Å; Y208-H212 WeakPolarHBondContact O-CB 3.46Å; Y208-H212 PolarHBondContact O-N 3.03Å; Y209-H212 PolarHBondContact O-N 2.99Å; H212-L214 VanDerWaalsContact C-N 3.31Å; H212-L214 PolarHBondContact O-N 3.03Å; H212-F215 PolarHBondContact O-N 3.21Å; H212-N216 PolarHBondContact NE2-ND2 2.86Å; H212-N216 WeakPolarHBondContact O-CB 3.38Å; H212-N216 PolarHBondContact O-N 3.17Å
213L92.7Very high90.2Very high0 Ų065.5 Ų65.50%033%0.329CS..Hα-helixtrans-62.1-35.6179.8-177.361.8000113.9F54 A58 L61 Y209 A210 I211 F215 N216 N219 I225F54-L213 HydrophobicContact CB-CD1 4.31Å; F54-L213 HydrophobicContact CD2-CD1 3.79Å; F54-L213 HydrophobicContact CE2-CD1 4.46Å; F54-L213 HydrophobicContact CG-CD1 4.3Å; A58-L213 HydrophobicContact CB-CD2 4.1Å; L61-L213 HydrophobicContact CD1-CB 4.4Å; L61-L213 HydrophobicContact CD1-CD2 3.79Å; L61-L213 HydrophobicContact CD1-CG 4.35Å; Y209-L213 WeakPolarHBondContact O-CB 3.33Å; Y209-L213 PolarHBondContact O-N 3.35Å; A210-L213 PolarHBondContact O-N 3.43Å; I211-L213 VanDerWaalsContact C-N 3.32Å; I211-L213 PolarHBondContact O-N 3.32Å; L213-F215 PolarHBondContact O-N 2.83Å; L213-F215 VanDerWaalsContact O-N 3.17Å; L213-N216 PolarHBondContact O-N 3.3Å; L213-N219 HydrophobicContact CD1-CB 3.77Å; L213-N219 HydrophobicContact CG-CB 4.28Å; L213-N219 WeakPolarHBondContact O-CB 3.42Å; L213-N219 PolarHBondContact O-ND2 3.05Å; L213-N219 VanDerWaalsContact O-ND2 3.12Å; L213-I225 HydrophobicContact CD2-CD1 4.34Å
214L90.3Very high90Very high35 Ų3564.4 Ų64.418%0.18332%0.324CS..Hα-helixtrans-62.5-23.4-179.9-67.1175.3000112.7L61 A210 I211 H212 I225 L226L61-L214 HydrophobicContact CD1-CD2 3.93Å; L61-L214 HydrophobicContact CD1-CG 4.3Å; L61-L214 HydrophobicContact CD2-CD1 4.21Å; L61-L214 HydrophobicContact CD2-CD2 4.24Å; L61-L214 HydrophobicContact CD2-CG 4.21Å; A210-L214 WeakPolarHBondContact O-CG 3.5Å; A210-L214 PolarHBondContact O-N 2.96Å; I211-L214 PolarHBondContact O-N 3.32Å; H212-L214 VanDerWaalsContact C-N 3.31Å; H212-L214 PolarHBondContact O-N 3.03Å; L214-I225 HydrophobicContact CD2-CG2 4.27Å; L214-L226 HydrophobicContact CD2-CD1 4.2Å; L214-L226 HydrophobicContact CD2-CD2 3.88Å; L214-L226 HydrophobicContact CD2-CG 3.88Å
215F89.4Confident89.9Confident160 Ų16064.4 Ų64.470%0.70232%0.324SS*.Hα-helixtrans-115.42.3-179.7-55.3-73.9000113.6I211 H212 L213I211-F215 HydrophobicContact CG2-CD2 4.44Å; I211-F215 HydrophobicContact CG2-CE2 4.18Å; I211-F215 VanDerWaalsContact O-CD2 3.24Å; I211-F215 WeakPolarHBondContact O-CD2 3.45Å; H212-F215 PolarHBondContact O-N 3.21Å; L213-F215 PolarHBondContact O-N 2.83Å; L213-F215 VanDerWaalsContact O-N 3.17Å
216N88.7Confident89.8Confident19 Ų1960.7 Ų60.710%0.10230%0.304CS..  trans-84.9133.1-177.3-173.1-37.1000110.6H212 L213 D218 N219H212-N216 PolarHBondContact NE2-ND2 2.86Å; H212-N216 WeakPolarHBondContact O-CB 3.38Å; H212-N216 PolarHBondContact O-N 3.17Å; L213-N216 PolarHBondContact O-N 3.3Å; N216-D218 PolarHBondContact O-N 3.31Å; N216-D218 VanDerWaalsContact O-N 3.16Å; N216-D218 WeakPolarHBondContact OD1-CB 3.32Å; N216-D218 PolarHBondContact OD1-N 2.94Å; N216-N219 WeakPolarHBondContact O-CB 3.5Å; N216-N219 PolarHBondContact O-N 3.04Å; N216-N219 VanDerWaalsContact O-N 3.09Å
217P86.1Confident89.5Confident121 Ų12156.8 Ų56.879%0.78628%0.284SS*.THydrogen-bonded Turntrans-55-25.9174.4-26.934.9000115.7N219P217-N219 PolarHBondContact O-N 3.47Å
218D84.1Confident89.4Confident55 Ų5554.4 Ų54.429%0.29427%0.269SS..THydrogen-bonded Turntrans-64.7-21.6177.9-68.7-17.5000112.8N44 T51 N216 K220N44-D218 PolarHBondContact ND2-O 2.96Å; N44-D218 PolarHBondContact OD1-O 2.96Å; T51-D218 VanDerWaalsContact CB-OD2 3.26Å; T51-D218 WeakPolarHBondContact CB-OD2 3.44Å; T51-D218 HydrophobicContact CG2-CB 4.04Å; T51-D218 VanDerWaalsContact CG2-CG 3.42Å; T51-D218 VanDerWaalsContact CG2-OD2 3.26Å; T51-D218 WeakPolarHBondContact CG2-OD2 3.44Å; T51-D218 WeakPolarHBondContact OG1-CB 3.1Å; T51-D218 VanDerWaalsContact OG1-CG 3.25Å; T51-D218 PolarHBondContact OG1-OD2 3.37Å; N216-D218 PolarHBondContact O-N 3.31Å; N216-D218 VanDerWaalsContact O-N 3.16Å; N216-D218 WeakPolarHBondContact OD1-CB 3.32Å; N216-D218 PolarHBondContact OD1-N 2.94Å; D218-K220 PolarHBondContact O-N 3.12Å
219N85.9Confident89.4Confident7 Ų748 Ų484%0.03724%0.243CC..  trans-86.894.5172.2175.89.4000109.7F54 L213 N216 P217 M221 G222F54-N219 HydrophobicContact CD2-CB 4.24Å; F54-N219 HydrophobicContact CE2-CB 4.28Å; L213-N219 HydrophobicContact CD1-CB 3.77Å; L213-N219 HydrophobicContact CG-CB 4.28Å; L213-N219 WeakPolarHBondContact O-CB 3.42Å; L213-N219 PolarHBondContact O-ND2 3.05Å; L213-N219 VanDerWaalsContact O-ND2 3.12Å; N216-N219 WeakPolarHBondContact O-CB 3.5Å; N216-N219 PolarHBondContact O-N 3.04Å; N216-N219 VanDerWaalsContact O-N 3.09Å; P217-N219 PolarHBondContact O-N 3.47Å; N219-M221 PolarHBondContact O-N 3.19Å; N219-M221 VanDerWaalsContact O-N 3.15Å; N219-M221 PolarHBondContact OD1-N 3.14Å; N219-G222 VanDerWaalsContact ND2-C 3.33Å; N219-G222 WeakPolarHBondContact ND2-CA 3.29Å; N219-G222 PolarHBondContact ND2-O 3.36Å; N219-G222 PolarHBondContact O-N 2.92Å; N219-G222 PolarHBondContact OD1-N 3.21Å; N219-G222 VanDerWaalsContact OD1-N 3.11Å; N219-G222 PolarHBondContact OD1-O 3.1Å
220K84.4Confident89.3Confident123 Ų12346 Ų4654%0.53524%0.236SC..THydrogen-bonded Turntrans-62.4-24.9-178-63.1-173.2-173.4172.90113.4N44 D218N44-K220 WeakPolarHBondContact O-CD 3.36Å; N44-K220 PolarHBondContact O-NZ 3.34Å; N44-K220 PolarHBondContact OD1-N 3.33Å; N44-K220 VanDerWaalsContact OD1-N 3.12Å; D218-K220 PolarHBondContact O-N 3.12Å
221M84.2Confident89.2Confident67 Ų6745.8 Ų45.833%0.3323%0.234SC..THydrogen-bonded Turntrans-86.1-13.1178.3-64.1-61.498.100112.7E43 N219 I223 F224 I225E43-M221 HydrophobicContact CB-CG 4.02Å; E43-M221 HydrophobicContact CB-SD 4.44Å; E43-M221 WeakPolarHBondContact O-CE 3.5Å; N219-M221 PolarHBondContact O-N 3.19Å; N219-M221 VanDerWaalsContact O-N 3.15Å; N219-M221 PolarHBondContact OD1-N 3.14Å; M221-I223 PolarHBondContact O-N 2.72Å; M221-F224 HydrophobicContact CB-CB 4.41Å; M221-F224 VanDerWaalsContact O-CB 3.31Å; M221-F224 WeakPolarHBondContact O-CB 3.25Å; M221-F224 WeakPolarHBondContact O-CD2 3.03Å; M221-F224 PolarHBondContact O-N 3.32Å; M221-I225 HydrophobicContact CB-CB 4.14Å
222G88.2Confident89.3Confident22 Ų2241 Ų4123%0.22721%0.209CC..G310 helixtrans53-134.8-171.300000111.3N219 F224 I225N219-G222 VanDerWaalsContact ND2-C 3.33Å; N219-G222 WeakPolarHBondContact ND2-CA 3.29Å; N219-G222 PolarHBondContact ND2-O 3.36Å; N219-G222 PolarHBondContact O-N 2.92Å; N219-G222 PolarHBondContact OD1-N 3.21Å; N219-G222 VanDerWaalsContact OD1-N 3.11Å; N219-G222 PolarHBondContact OD1-O 3.1Å; G222-F224 PolarHBondContact O-N 3.35Å; G222-F224 VanDerWaalsContact O-N 3.09Å; G222-I225 WeakPolarHBondContact O-CG2 3.41Å; G222-I225 PolarHBondContact O-N 3.46Å
223I87.2Confident89.2Confident67 Ų6737.7 Ų37.734%0.34419%0.194SC..G310 helixtrans-60-23.4178.9-62.6172.8000112.2M221 I225 L226 F422M221-I223 PolarHBondContact O-N 2.72Å; I223-I225 PolarHBondContact O-N 3.12Å; I223-I225 VanDerWaalsContact O-N 3.16Å; I223-L226 HydrophobicContact CG2-CD1 3.89Å; I223-L226 WeakPolarHBondContact O-CB 3.41Å; I223-L226 VanDerWaalsContact O-CG 3.31Å; I223-L226 WeakPolarHBondContact O-CG 3.47Å; I223-L226 PolarHBondContact O-N 3.33Å; I223-L226 VanDerWaalsContact O-N 3.16Å; I223-F422 HydrophobicContact CG2-CD1 4.33Å
224F88.5Confident88.9Confident95 Ų9537.7 Ų37.742%0.41719%0.194SC..G310 helixtrans-70.6-9-176.9-56.2-62.1000114.6M221 G222 L226 G227 I425 S426 T429M221-F224 HydrophobicContact CB-CB 4.41Å; M221-F224 VanDerWaalsContact O-CB 3.31Å; M221-F224 WeakPolarHBondContact O-CB 3.25Å; M221-F224 WeakPolarHBondContact O-CD2 3.03Å; M221-F224 PolarHBondContact O-N 3.32Å; G222-F224 PolarHBondContact O-N 3.35Å; G222-F224 VanDerWaalsContact O-N 3.09Å; F224-L226 PolarHBondContact O-N 2.83Å; F224-G227 PolarHBondContact O-N 2.89Å; F224-I425 HydrophobicContact CE1-CG2 4.43Å; F224-S426 WeakPolarHBondContact CA-OG 3.37Å; F224-S426 PolarHBondContact O-OG 3.15Å; F224-T429 HydrophobicContact CD1-CG2 3.38Å; F224-T429 HydrophobicContact CE1-CG2 3.23Å; F224-T429 HydrophobicContact CG-CG2 4.2Å; F224-T429 HydrophobicContact CZ-CG2 3.93Å
225I90.4Very high88.7Confident1 Ų136 Ų361%0.00519%0.186CC..G310 helixtrans-63.1-25.2170.2-163.9168000112.3I40 F54 L61 L213 L214 M221 G222 I223 G227 S228 I229I40-I225 HydrophobicContact CG2-CD1 4.39Å; F54-I225 HydrophobicContact CE2-CD1 3.54Å; F54-I225 HydrophobicContact CZ-CD1 3.52Å; L61-I225 HydrophobicContact CD1-CG2 4.39Å; L213-I225 HydrophobicContact CD2-CD1 4.34Å; L214-I225 HydrophobicContact CD2-CG2 4.27Å; M221-I225 HydrophobicContact CB-CB 4.14Å; G222-I225 WeakPolarHBondContact O-CG2 3.41Å; G222-I225 PolarHBondContact O-N 3.46Å; I223-I225 PolarHBondContact O-N 3.12Å; I223-I225 VanDerWaalsContact O-N 3.16Å; I225-G227 PolarHBondContact O-N 3.29Å; I225-G227 VanDerWaalsContact O-N 3.12Å; I225-S228 PolarHBondContact O-N 3.47Å; I225-I229 HydrophobicContact CB-CD1 4.38Å; I225-I229 HydrophobicContact CG1-CD1 3.99Å; I225-I229 HydrophobicContact CG2-CD1 3.84Å; I225-I229 PolarHBondContact O-N 3.22Å
226L91.7Very high88.7Confident13 Ų1328.4 Ų28.47%0.06815%0.152CC..Hα-helixtrans-56.9-30.5-178.2-73.1178.2000112.2L61 L214 I223 F224 S228 I229 F230 F422 F423L61-L226 HydrophobicContact CD1-CD2 4.49Å; L61-L226 HydrophobicContact CD2-CD2 3.95Å; L214-L226 HydrophobicContact CD2-CD1 4.2Å; L214-L226 HydrophobicContact CD2-CD2 3.88Å; L214-L226 HydrophobicContact CD2-CG 3.88Å; I223-L226 HydrophobicContact CG2-CD1 3.89Å; I223-L226 WeakPolarHBondContact O-CB 3.41Å; I223-L226 VanDerWaalsContact O-CG 3.31Å; I223-L226 WeakPolarHBondContact O-CG 3.47Å; I223-L226 PolarHBondContact O-N 3.33Å; I223-L226 VanDerWaalsContact O-N 3.16Å; F224-L226 PolarHBondContact O-N 2.83Å; L226-S228 VanDerWaalsContact C-N 3.28Å; L226-S228 PolarHBondContact O-N 2.99Å; L226-I229 HydrophobicContact CD2-CD1 4.16Å; L226-I229 PolarHBondContact O-N 3.18Å; L226-F230 WeakPolarHBondContact O-CB 3.24Å; L226-F230 PolarHBondContact O-N 3.41Å; L226-F422 HydrophobicContact CD1-CB 4.02Å; L226-F423 HydrophobicContact CB-CD1 3.75Å; L226-F423 HydrophobicContact CB-CE1 3.77Å; L226-F423 HydrophobicContact CD2-CE1 3.8Å; L226-F423 HydrophobicContact CD2-CZ 4.18Å; L226-F423 HydrophobicContact CG-CE1 4.3Å; L226-F423 WeakPolarHBondContact O-CD1 3.23Å; L226-F423 VanDerWaalsContact O-CE1 3.27Å; L226-F423 WeakPolarHBondContact O-CE1 3.48Å
227G88.6Confident88.5Confident2 Ų227.8 Ų27.82%0.02115%0.149CC..Hα-helixtrans-62.8-33.3177.300000113F224 I225 S426F224-G227 PolarHBondContact O-N 2.89Å; I225-G227 PolarHBondContact O-N 3.29Å; I225-G227 VanDerWaalsContact O-N 3.12Å; G227-S426 PolarHBondContact N-OG 2.92Å
228S90.3Very high88.4Confident1 Ų122.4 Ų22.41%0.00711%0.114CC..Hα-helixtrans-82-35.5175.2-69.20000112.4E43 I225 L226 F230 L231 K430E43-S228 PolarHBondContact OE1-OG 3.37Å; E43-S228 VanDerWaalsContact OE1-OG 3.05Å; E43-S228 WeakPolarHBondContact OE2-CB 3.34Å; E43-S228 PolarHBondContact OE2-OG 3.47Å; I225-S228 PolarHBondContact O-N 3.47Å; L226-S228 VanDerWaalsContact C-N 3.28Å; L226-S228 PolarHBondContact O-N 2.99Å; S228-F230 VanDerWaalsContact C-N 3.26Å; S228-F230 PolarHBondContact O-N 2.95Å; S228-L231 VanDerWaalsContact O-CB 3.31Å; S228-L231 WeakPolarHBondContact O-CB 3.43Å; S228-L231 PolarHBondContact O-N 3.49Å; S228-K430 PolarHBondContact OG-NZ 3.01Å
229I93.4Very high88.5Confident0 Ų019.8 Ų19.80%010%0.1CC..Hα-helixtrans-62.9-36.8173-71.3148.5000111.1I40 L61 V62 T65 I225 L226 L231 A232 F423I40-I229 HydrophobicContact CD1-CG1 4.03Å; I40-I229 HydrophobicContact CG1-CG1 4.43Å; L61-I229 HydrophobicContact CB-CD1 3.53Å; L61-I229 HydrophobicContact CB-CG1 4.01Å; L61-I229 HydrophobicContact CB-CG2 3.94Å; L61-I229 HydrophobicContact CD1-CD1 3.34Å; L61-I229 HydrophobicContact CG-CD1 3.97Å; V62-I229 HydrophobicContact CG2-CG1 4.35Å; V62-I229 HydrophobicContact CG2-CG2 4.22Å; T65-I229 HydrophobicContact CG2-CG2 4.36Å; T65-I229 WeakPolarHBondContact OG1-CG2 3.47Å; I225-I229 HydrophobicContact CB-CD1 4.38Å; I225-I229 HydrophobicContact CG1-CD1 3.99Å; I225-I229 HydrophobicContact CG2-CD1 3.84Å; I225-I229 PolarHBondContact O-N 3.22Å; L226-I229 HydrophobicContact CD2-CD1 4.16Å; L226-I229 PolarHBondContact O-N 3.18Å; I229-L231 PolarHBondContact O-N 3.43Å; I229-A232 VanDerWaalsContact O-CB 3.29Å; I229-A232 WeakPolarHBondContact O-CB 3.4Å; I229-A232 PolarHBondContact O-N 3.14Å; I229-F423 HydrophobicContact CG2-CE1 4.35Å
230F92.2Very high88.5Confident1 Ų119.6 Ų19.60%0.00410%0.099CC..G310 helixtrans-58-31.3179.9-174.4-101.7000112.9L69 L226 S228 A232 T233 I384 T385 M388 F423L69-F230 HydrophobicContact CD1-CD2 4.18Å; L69-F230 HydrophobicContact CD1-CE2 3.85Å; L226-F230 WeakPolarHBondContact O-CB 3.24Å; L226-F230 PolarHBondContact O-N 3.41Å; S228-F230 VanDerWaalsContact C-N 3.26Å; S228-F230 PolarHBondContact O-N 2.95Å; F230-A232 PolarHBondContact O-N 2.98Å; F230-T233 PolarHBondContact O-N 3.33Å; F230-T233 PolarHBondContact O-OG1 3.4Å; F230-I384 HydrophobicContact CE1-CB 3.9Å; F230-I384 HydrophobicContact CE1-CG2 3.75Å; F230-I384 HydrophobicContact CZ-CB 4.4Å; F230-I384 HydrophobicContact CZ-CG2 3.82Å; F230-T385 HydrophobicContact CD1-CG2 3.62Å; F230-T385 HydrophobicContact CD2-CG2 3.96Å; F230-T385 HydrophobicContact CE1-CG2 3.36Å; F230-T385 HydrophobicContact CE2-CG2 3.71Å; F230-T385 HydrophobicContact CG-CG2 3.92Å; F230-T385 HydrophobicContact CZ-CG2 3.39Å; F230-M388 HydrophobicContact CE2-CE 4.38Å; F230-M388 HydrophobicContact CE2-SD 3.85Å; F230-M388 HydrophobicContact CZ-CE 3.91Å; F230-M388 HydrophobicContact CZ-CG 4.29Å; F230-M388 HydrophobicContact CZ-SD 3.68Å; F230-F423 HydrophobicContact CB-CD1 3.63Å; F230-F423 HydrophobicContact CB-CE1 4.04Å; F230-F423 HydrophobicContact CB-CG 4.28Å; F230-F423 HydrophobicContact CD2-CB 3.82Å; F230-F423 AromaticContact CD2-CD1 3.77Å; F230-F423 HydrophobicContact CD2-CD1 3.77Å; F230-F423 AromaticContact CD2-CD2 3.97Å; F230-F423 HydrophobicContact CD2-CD2 3.97Å; F230-F423 HydrophobicContact CD2-CE1 4.32Å; F230-F423 AromaticContact CD2-CG 3.58Å; F230-F423 HydrophobicContact CD2-CG 3.58Å; F230-F423 HydrophobicContact CE2-CB 4.36Å; F230-F423 HydrophobicContact CE2-CG 4.37Å; F230-F423 HydrophobicContact CG-CB 4.35Å; F230-F423 HydrophobicContact CG-CD1 4.09Å; F230-F423 HydrophobicContact CG-CG 4.26Å
231L90.9Very high88.3Confident2 Ų214.7 Ų14.71%0.018%0.08CC..G310 helixtrans-58.9-18.1177.7-63.9177000113.1Y35 V36 A39 S228 I229 T233 T234 E377 Y380Y35-L231 HydrophobicContact CD2-CB 4.15Å; Y35-L231 HydrophobicContact CD2-CD1 4.33Å; Y35-L231 HydrophobicContact CE2-CB 3.91Å; V36-L231 VanDerWaalsContact CG2-C 3.45Å; V36-L231 HydrophobicContact CG2-CB 3.82Å; A39-L231 HydrophobicContact CB-CD1 4.2Å; S228-L231 VanDerWaalsContact O-CB 3.31Å; S228-L231 WeakPolarHBondContact O-CB 3.43Å; S228-L231 PolarHBondContact O-N 3.49Å; I229-L231 PolarHBondContact O-N 3.43Å; L231-T233 PolarHBondContact O-N 3.06Å; L231-T234 HydrophobicContact CD2-CG2 4.21Å; L231-T234 VanDerWaalsContact O-CG2 3.31Å; L231-T234 WeakPolarHBondContact O-CG2 3.48Å; L231-T234 PolarHBondContact O-OG1 2.82Å; L231-E377 HydrophobicContact CD1-CB 4.04Å; L231-E377 HydrophobicContact CD1-CG 4.4Å; L231-Y380 HydrophobicContact CD2-CD1 3.84Å
232A93.8Very high87.9Confident1 Ų111.7 Ų11.71%0.0087%0.065CC..G310 helixtrans-72.1-13.5173.300000114V36 V62 V66 I229 F230V36-A232 HydrophobicContact CG1-CB 4.18Å; V36-A232 HydrophobicContact CG2-CB 3.98Å; V62-A232 HydrophobicContact CG1-CB 3.75Å; V62-A232 HydrophobicContact CG2-CB 4.43Å; V66-A232 HydrophobicContact CG2-CB 3.95Å; I229-A232 VanDerWaalsContact O-CB 3.29Å; I229-A232 WeakPolarHBondContact O-CB 3.4Å; I229-A232 PolarHBondContact O-N 3.14Å; F230-A232 PolarHBondContact O-N 2.98Å
233T91.9Very high87.4Confident0 Ų010.8 Ų10.80%06%0.055CC..G310 helixtrans-108.18.9-179.758.70000113.5T65 V66 L69 F230 L231 G235 A236T65-T233 HydrophobicContact CG2-CG2 3.72Å; V66-T233 HydrophobicContact CB-CG2 4.38Å; V66-T233 HydrophobicContact CG2-CG2 3.85Å; L69-T233 HydrophobicContact CB-CG2 4.26Å; L69-T233 HydrophobicContact CD1-CG2 4.31Å; F230-T233 PolarHBondContact O-N 3.33Å; F230-T233 PolarHBondContact O-OG1 3.4Å; L231-T233 PolarHBondContact O-N 3.06Å; T233-G235 PolarHBondContact O-N 3.32Å; T233-A236 WeakPolarHBondContact O-CB 3.44Å; T233-A236 PolarHBondContact O-N 3.23Å
234T86.4Confident86.6Confident0 Ų09.4 Ų9.40%06%0.057CC..THydrogen-bonded Turntrans-64135.4174.968.70000109.5I29 Y35 L231 Y380 I384I29-T234 WeakPolarHBondContact CA-O 3.3Å; I29-T234 VanDerWaalsContact CB-O 3.25Å; I29-T234 WeakPolarHBondContact CB-O 3.44Å; I29-T234 PolarHBondContact N-O 3.43Å; Y35-T234 PolarHBondContact OH-OG1 3.12Å; L231-T234 HydrophobicContact CD2-CG2 4.21Å; L231-T234 VanDerWaalsContact O-CG2 3.31Å; L231-T234 WeakPolarHBondContact O-CG2 3.48Å; L231-T234 PolarHBondContact O-OG1 2.82Å; T234-Y380 VanDerWaalsContact CB-CZ 3.48Å; T234-Y380 WeakPolarHBondContact CB-OH 3.31Å; T234-Y380 HydrophobicContact CG2-CD1 3.97Å; T234-Y380 HydrophobicContact CG2-CE1 3.34Å; T234-Y380 HydrophobicContact CG2-CE2 4.4Å; T234-Y380 PolarHBondContact OG1-OH 3.36Å; T234-Y380 VanDerWaalsContact OG1-OH 3.09Å; T234-I384 HydrophobicContact CG2-CD1 3.56Å
235G85.7Confident85.6Confident0 Ų07.3 Ų7.30%05%0.049CC..THydrogen-bonded Turntrans89.3-6.4-170.100000115T233 E237 A238 L239T233-G235 PolarHBondContact O-N 3.32Å; G235-E237 WeakPolarHBondContact CA-OE1 3.49Å; G235-E237 PolarHBondContact N-OE1 2.86Å; G235-E237 VanDerWaalsContact N-OE1 3.1Å; G235-E237 PolarHBondContact O-N 2.85Å; G235-A238 VanDerWaalsContact O-CB 3.31Å; G235-A238 WeakPolarHBondContact O-CB 3.41Å; G235-A238 PolarHBondContact O-N 3.49Å; G235-A238 VanDerWaalsContact O-N 3.07Å; G235-L239 WeakPolarHBondContact O-CD1 3.43Å; G235-L239 PolarHBondContact O-N 3.38Å
236A89.6Confident84.8Confident0 Ų07.4 Ų7.40%05%0.049CC..THydrogen-bonded Turntrans-61.8-35.2177.100000112.2T70 Y74 T233 L239 M388T70-A236 HydrophobicContact CG2-CB 3.85Å; Y74-A236 WeakPolarHBondContact CD1-O 3.42Å; Y74-A236 HydrophobicContact CD2-CB 3.65Å; Y74-A236 HydrophobicContact CE2-CB 3.88Å; Y74-A236 HydrophobicContact CG-CB 4.38Å; Y74-A236 VanDerWaalsContact CG-O 3.31Å; T233-A236 WeakPolarHBondContact O-CB 3.44Å; T233-A236 PolarHBondContact O-N 3.23Å; A236-L239 WeakPolarHBondContact O-CB 3.24Å; A236-L239 PolarHBondContact O-N 3.33Å; A236-M388 HydrophobicContact CB-CE 3.82Å
237E85.5Confident84.2Confident6 Ų67.4 Ų7.43%0.0285%0.053CC..THydrogen-bonded Turntrans-69.3-30.9172.669.5-58132.700113.4Y74 L114 G235 L239 Y240 S241 M388Y74-E237 HydrophobicContact CE1-CB 4.17Å; L114-E237 HydrophobicContact CD1-CG 3.54Å; G235-E237 WeakPolarHBondContact CA-OE1 3.49Å; G235-E237 PolarHBondContact N-OE1 2.86Å; G235-E237 VanDerWaalsContact N-OE1 3.1Å; G235-E237 PolarHBondContact O-N 2.85Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.29Å; E237-Y240 WeakPolarHBondContact O-CB 3.24Å; E237-Y240 PolarHBondContact O-N 2.93Å; E237-S241 PolarHBondContact O-N 2.96Å; E237-M388 WeakPolarHBondContact OE2-CE 3.4Å
238A83Confident84Confident7 Ų711.4 Ų11.46%0.0587%0.069CC..Hα-helixtrans-63.5-33.3173.600000112.3G235 Y240 S241 D242G235-A238 VanDerWaalsContact O-CB 3.31Å; G235-A238 WeakPolarHBondContact O-CB 3.41Å; G235-A238 PolarHBondContact O-N 3.49Å; G235-A238 VanDerWaalsContact O-N 3.07Å; A238-Y240 PolarHBondContact O-N 3.49Å; A238-Y240 VanDerWaalsContact O-N 3.16Å; A238-S241 WeakPolarHBondContact CA-OG 3.44Å; A238-S241 PolarHBondContact O-N 2.88Å; A238-S241 PolarHBondContact O-OG 2.97Å; A238-D242 WeakPolarHBondContact O-CB 3.32Å; A238-D242 PolarHBondContact O-N 2.99Å
239L86.3Confident83.9Confident0 Ų017 Ų170%09%0.094CC..Hα-helixtrans-54.2-34.8170.2-76.866.4000112.4V25 Y26 T70 V75 L79 G235 A236 E237 I251 W255V25-L239 VanDerWaalsContact CG1-CA 3.44Å; V25-L239 HydrophobicContact CG1-CB 3.99Å; V25-L239 HydrophobicContact CG1-CD1 3.92Å; V25-L239 HydrophobicContact CG1-CG 3.61Å; Y26-L239 HydrophobicContact CD1-CD1 3.95Å; Y26-L239 HydrophobicContact CD1-CD2 4.4Å; Y26-L239 HydrophobicContact CD1-CG 4.09Å; Y26-L239 HydrophobicContact CE1-CD1 4.13Å; Y26-L239 HydrophobicContact CE1-CD2 3.8Å; Y26-L239 HydrophobicContact CE1-CG 3.76Å; T70-L239 HydrophobicContact CG2-CD2 3.86Å; V75-L239 HydrophobicContact CG2-CD2 3.61Å; L79-L239 WeakPolarHBondContact CD2-O 3.24Å; G235-L239 WeakPolarHBondContact O-CD1 3.43Å; G235-L239 PolarHBondContact O-N 3.38Å; A236-L239 WeakPolarHBondContact O-CB 3.24Å; A236-L239 PolarHBondContact O-N 3.33Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.29Å; L239-I251 HydrophobicContact CD2-CG2 4.32Å; L239-I251 HydrophobicContact CG-CG2 4.47Å; L239-I251 WeakPolarHBondContact O-CD1 3.25Å; L239-W255 HydrophobicContact CD2-CE3 4.26Å
240Y87Confident83.6Confident4 Ų417.1 Ų17.12%0.0169%0.094CC..Hα-helixtrans-86.6-39.5-179-177.2-126.1000112.4Y74 A78 A81 G87 G88 L92 E237 A238 M243Y74-Y240 HydrophobicContact CD1-CG 4.49Å; A78-Y240 HydrophobicContact CB-CD2 3.86Å; A78-Y240 HydrophobicContact CB-CE2 4.16Å; A78-Y240 HydrophobicContact CB-CG 4.09Å; A78-Y240 WeakPolarHBondContact O-CE2 3.44Å; A81-Y240 HydrophobicContact CB-CE2 4.42Å; A81-Y240 PolarHBondContact O-OH 2.83Å; G87-Y240 CarbonylContact C-O 3.51Å; G87-Y240 WeakPolarHBondContact CA-O 3.36Å; G88-Y240 VanDerWaalsContact C-CE1 3.45Å; G88-Y240 VanDerWaalsContact CA-CD1 3.42Å; G88-Y240 VanDerWaalsContact N-CD1 3.27Å; G88-Y240 PolarHBondContact N-O 3.45Å; G88-Y240 VanDerWaalsContact N-O 3.1Å; G88-Y240 WeakPolarHBondContact O-CE1 3.35Å; L92-Y240 HydrophobicContact CB-CE1 4.15Å; L92-Y240 WeakPolarHBondContact CB-OH 3.32Å; L92-Y240 HydrophobicContact CD2-CE1 4.3Å; E237-Y240 WeakPolarHBondContact O-CB 3.24Å; E237-Y240 PolarHBondContact O-N 2.93Å; A238-Y240 PolarHBondContact O-N 3.49Å; A238-Y240 VanDerWaalsContact O-N 3.16Å; Y240-M243 HydrophobicContact CD2-CE 3.63Å; Y240-M243 HydrophobicContact CD2-SD 4.4Å; Y240-M243 HydrophobicContact CE2-CE 3.3Å; Y240-M243 WeakPolarHBondContact O-CG 3.46Å
241S78.6Confident83.4Confident20 Ų2017 Ų1714%0.149%0.094CC..Hα-helixtrans-67-40.9177.2600000113.1E237 A238 M243E237-S241 PolarHBondContact O-N 2.96Å; A238-S241 WeakPolarHBondContact CA-OG 3.44Å; A238-S241 PolarHBondContact O-N 2.88Å; A238-S241 PolarHBondContact O-OG 2.97Å; S241-M243 VanDerWaalsContact C-N 3.31Å; S241-M243 PolarHBondContact O-N 3.03Å
242D76.3Confident83.4Confident4 Ų420.1 Ų20.12%0.02111%0.108CC..THydrogen-bonded Turntrans-92.98.9-169.4-61.8-18.9000113.1V25 A238 G244 H245V25-D242 HydrophobicContact CG2-CB 4.08Å; A238-D242 WeakPolarHBondContact O-CB 3.32Å; A238-D242 PolarHBondContact O-N 2.99Å; D242-G244 PolarHBondContact O-N 2.9Å; D242-G244 VanDerWaalsContact O-N 3.16Å; D242-H245 PolarHBondContact O-N 3.46Å; D242-H245 VanDerWaalsContact O-N 3.12Å
243M78.2Confident83.3Confident3 Ų326.5 Ų26.52%0.01514%0.136CC..Hα-helixtrans-64.1-20.4177.774.3167156.900113.2L79 D82 E86 Y240 S241 H245 G247 I251L79-M243 HydrophobicContact CD2-CB 3.84Å; L79-M243 HydrophobicContact CD2-CG 4.3Å; L79-M243 HydrophobicContact CD2-SD 3.64Å; D82-M243 HydrophobicContact CB-CE 3.45Å; D82-M243 VanDerWaalsContact CB-CE 3.45Å; D82-M243 HydrophobicContact CB-SD 3.95Å; E86-M243 WeakPolarHBondContact O-CE 3.33Å; Y240-M243 HydrophobicContact CD2-CE 3.63Å; Y240-M243 HydrophobicContact CD2-SD 4.4Å; Y240-M243 HydrophobicContact CE2-CE 3.3Å; Y240-M243 WeakPolarHBondContact O-CG 3.46Å; S241-M243 VanDerWaalsContact C-N 3.31Å; S241-M243 PolarHBondContact O-N 3.03Å; M243-H245 VanDerWaalsContact C-N 3.3Å; M243-H245 PolarHBondContact O-N 3.43Å; M243-G247 VanDerWaalsContact O-CA 3.24Å; M243-G247 WeakPolarHBondContact O-CA 3.29Å; M243-G247 PolarHBondContact O-N 3.09Å; M243-I251 HydrophobicContact CB-CD1 3.85Å
244G70.1Confident83.3Confident37 Ų3726.7 Ų26.738%0.38114%0.137SC..Hα-helixtrans-63.7-32.817400000113.6G85 D242G85-G244 WeakPolarHBondContact O-CA 3.45Å; G85-G244 PolarHBondContact O-N 3.46Å; D242-G244 PolarHBondContact O-N 2.9Å; D242-G244 VanDerWaalsContact O-N 3.16Å
245H67.7Low83.7Confident52 Ų5227 Ų2724%0.24114%0.138CC..Hα-helixtrans-85.3-29-176-58.262.7000112.8I10 D242 M243 G348I10-H245 WeakPolarHBondContact CG2-O 3.35Å; D242-H245 PolarHBondContact O-N 3.46Å; D242-H245 VanDerWaalsContact O-N 3.12Å; M243-H245 VanDerWaalsContact C-N 3.3Å; M243-H245 PolarHBondContact O-N 3.43Å; H245-G348 WeakPolarHBondContact CD2-CA 3.42Å; H245-G348 WeakPolarHBondContact NE2-CA 3Å; H245-G348 PolarHBondContact NE2-O 3.29Å
246V74.6Confident84.2Confident2 Ų230.7 Ų30.71%0.01216%0.162CC..Hα-helixtrans-114.4-31.4-168.2-175.80000112.1I20 A21 V24 V25 N250 I251I20-V246 HydrophobicContact CG2-CG2 4.07Å; A21-V246 HydrophobicContact CB-CG1 3.4Å; V24-V246 HydrophobicContact CB-CG2 4.48Å; V25-V246 HydrophobicContact CG2-CB 4.25Å; V25-V246 HydrophobicContact CG2-CG2 3.64Å; V246-N250 HydrophobicContact CG1-CB 3.8Å; V246-N250 PolarHBondContact O-ND2 3.43Å; V246-I251 HydrophobicContact CG1-CG1 4.44Å
247G77.7Confident84.4Confident14 Ų1433.6 Ų33.614%0.14417%0.174CC..  trans83.7136.5-174.800000113.3M243 K249 N250 I251M243-G247 VanDerWaalsContact O-CA 3.24Å; M243-G247 WeakPolarHBondContact O-CA 3.29Å; M243-G247 PolarHBondContact O-N 3.09Å; G247-K249 VanDerWaalsContact C-N 3.28Å; G247-K249 PolarHBondContact O-N 3.39Å; G247-K249 VanDerWaalsContact O-N 3.14Å; G247-N250 PolarHBondContact O-N 3.21Å; G247-N250 VanDerWaalsContact O-N 3.11Å; G247-I251 PolarHBondContact O-N 2.98Å
248K84.8Confident84.9Confident85 Ų8533.3 Ų33.337%0.3717%0.172SC..Hα-helixtrans-53.2-35.9-177.461.3-171.4170-161.90115.5D82 N250 I251 H252D82-K248 IonicContact OD1-NZ 3.35Å; D82-K248 PolarHBondContact OD1-NZ 2.85Å; D82-K248 IonicContact OD2-NZ 2.74Å; K248-N250 PolarHBondContact O-N 3.34Å; K248-I251 PolarHBondContact O-N 3.44Å; K248-H252 PolarHBondContact O-CD2 2.78Å; K248-H252 PolarHBondContact O-N 3.43Å
249K87.5Confident85.5Confident120 Ų12034.4 Ų34.452%0.52218%0.177SC..Hα-helixtrans-63.3-43.5179.7-71.6-174179.2-179.40111.5G247 I251 H252 F253G247-K249 VanDerWaalsContact C-N 3.28Å; G247-K249 PolarHBondContact O-N 3.39Å; G247-K249 VanDerWaalsContact O-N 3.14Å; K249-I251 VanDerWaalsContact C-N 3.33Å; K249-I251 PolarHBondContact O-N 3.28Å; K249-H252 PolarHBondContact O-N 2.86Å; K249-F253 VanDerWaalsContact O-CD2 3.32Å; K249-F253 WeakPolarHBondContact O-CD2 3.45Å; K249-F253 PolarHBondContact O-N 2.89Å
250N87.9Confident86Confident1 Ų139.3 Ų39.31%0.00520%0.202CC..Hα-helixtrans-62.2-45.5179.5-70.6-35.5000109.8I10 L13 L18 V246 G247 K248 H252 F253 S254I10-N250 PolarHBondContact O-ND2 2.99Å; L13-N250 WeakPolarHBondContact CA-OD1 3.45Å; L18-N250 HydrophobicContact CD2-CB 4.44Å; L18-N250 WeakPolarHBondContact CD2-O 3.37Å; V246-N250 HydrophobicContact CG1-CB 3.8Å; V246-N250 PolarHBondContact O-ND2 3.43Å; G247-N250 PolarHBondContact O-N 3.21Å; G247-N250 VanDerWaalsContact O-N 3.11Å; K248-N250 PolarHBondContact O-N 3.34Å; N250-H252 PolarHBondContact O-N 3.47Å; N250-F253 PolarHBondContact O-N 3.4Å; N250-S254 PolarHBondContact O-N 3.21Å; N250-S254 PolarHBondContact O-OG 3.43Å
251I88Confident86.5Confident0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-58.6-44.5176.9-57.7175.4000112V25 Y26 V75 L79 L239 M243 V246 G247 K248 K249 F253 S254 W255V25-I251 HydrophobicContact CG1-CD1 4.44Å; V25-I251 HydrophobicContact CG2-CD1 4.47Å; Y26-I251 HydrophobicContact CE1-CG2 4.37Å; Y26-I251 WeakPolarHBondContact OH-CA 3.34Å; Y26-I251 WeakPolarHBondContact OH-CG2 3.32Å; Y26-I251 PolarHBondContact OH-O 3.06Å; V75-I251 HydrophobicContact CG2-CG2 4.49Å; L79-I251 HydrophobicContact CD1-CB 4.05Å; L79-I251 HydrophobicContact CD1-CG2 3.71Å; L79-I251 HydrophobicContact CD2-CD1 4.02Å; L239-I251 HydrophobicContact CD2-CG2 4.32Å; L239-I251 HydrophobicContact CG-CG2 4.47Å; L239-I251 WeakPolarHBondContact O-CD1 3.25Å; M243-I251 HydrophobicContact CB-CD1 3.85Å; V246-I251 HydrophobicContact CG1-CG1 4.44Å; G247-I251 PolarHBondContact O-N 2.98Å; K248-I251 PolarHBondContact O-N 3.44Å; K249-I251 VanDerWaalsContact C-N 3.33Å; K249-I251 PolarHBondContact O-N 3.28Å; I251-F253 VanDerWaalsContact C-N 3.32Å; I251-F253 PolarHBondContact O-N 3.32Å; I251-S254 PolarHBondContact O-OG 3.25Å; I251-W255 WeakPolarHBondContact O-CB 3.45Å; I251-W255 PolarHBondContact O-N 3.4Å
252H90.3Very high87.3Confident66 Ų6638.5 Ų38.531%0.30620%0.198SC..Hα-helixtrans-60.4-38.6178.3-78.3-60.4000113.7V75 K248 K249 N250 P256V75-H252 WeakPolarHBondContact CG1-ND1 3.27Å; V75-H252 PolarHBondContact O-CE1 3.42Å; K248-H252 PolarHBondContact O-CD2 2.78Å; K248-H252 PolarHBondContact O-N 3.43Å; K249-H252 PolarHBondContact O-N 2.86Å; N250-H252 PolarHBondContact O-N 3.47Å; H252-P256 VanDerWaalsContact O-CD 3.3Å; H252-P256 WeakPolarHBondContact O-CD 3.48Å
253F91.9Very high88.2Confident136 Ų13639.4 Ų39.460%0.59620%0.202SC*.Hα-helixtrans-85.9-27.5-176.6-82.2-85.5000113.1L13 L18 K249 N250 I251L13-F253 HydrophobicContact CD1-CB 3.87Å; L13-F253 HydrophobicContact CD1-CD2 3.82Å; L13-F253 HydrophobicContact CD1-CG 3.92Å; L13-F253 HydrophobicContact CD2-CD1 4.43Å; L13-F253 HydrophobicContact CD2-CD2 4.03Å; L13-F253 HydrophobicContact CD2-CE1 4.46Å; L13-F253 HydrophobicContact CD2-CE2 4.06Å; L13-F253 HydrophobicContact CD2-CG 4.22Å; L13-F253 HydrophobicContact CD2-CZ 4.28Å; L18-F253 HydrophobicContact CD2-CB 3.82Å; K249-F253 VanDerWaalsContact O-CD2 3.32Å; K249-F253 WeakPolarHBondContact O-CD2 3.45Å; K249-F253 PolarHBondContact O-N 2.89Å; N250-F253 PolarHBondContact O-N 3.4Å; I251-F253 VanDerWaalsContact C-N 3.32Å; I251-F253 PolarHBondContact O-N 3.32Å
254S92.7Very high89.1Confident3 Ų341.1 Ų41.12%0.02121%0.211CC..Hα-helixtrans-83.6-27.9175.7510000113.6Y26 N250 I251 Y257 V258Y26-S254 WeakPolarHBondContact CE2-OG 3.43Å; Y26-S254 PolarHBondContact OH-OG 2.96Å; N250-S254 PolarHBondContact O-N 3.21Å; N250-S254 PolarHBondContact O-OG 3.43Å; I251-S254 PolarHBondContact O-OG 3.25Å; S254-Y257 PolarHBondContact O-N 3.23Å; S254-V258 PolarHBondContact O-N 3.12Å
255W94.4Very high90.4Very high7 Ų739.3 Ų39.33%0.02719%0.192CC..Hα-helixtrans-56.6-45.7-176173.8-114.7000114.5Y26 I29 V66 T70 T71 V75 L239 I251 Y257 V258 L259Y26-W255 HydrophobicContact CD1-CE3 4.36Å; Y26-W255 AromaticContact CE1-CE3 3.85Å; Y26-W255 HydrophobicContact CE1-CE3 3.85Å; Y26-W255 HydrophobicContact CE1-CZ3 4.49Å; Y26-W255 WeakPolarHBondContact OH-CA 3.4Å; Y26-W255 PolarHBondContact OH-N 3Å; I29-W255 HydrophobicContact CD1-CH2 3.84Å; I29-W255 HydrophobicContact CD1-CZ3 3.99Å; V66-W255 HydrophobicContact CG1-CH2 3.83Å; V66-W255 HydrophobicContact CG1-CZ2 3.91Å; T70-W255 HydrophobicContact CG2-CE3 4.45Å; T70-W255 HydrophobicContact CG2-CH2 3.24Å; T70-W255 HydrophobicContact CG2-CZ2 3.57Å; T70-W255 HydrophobicContact CG2-CZ3 3.74Å; T71-W255 WeakPolarHBondContact OG1-CZ2 3.45Å; T71-W255 PolarHBondContact OG1-NE1 3.02Å; V75-W255 HydrophobicContact CG2-CB 4.4Å; V75-W255 HydrophobicContact CG2-CD2 4.15Å; V75-W255 HydrophobicContact CG2-CG 3.92Å; L239-W255 HydrophobicContact CD2-CE3 4.26Å; I251-W255 WeakPolarHBondContact O-CB 3.45Å; I251-W255 PolarHBondContact O-N 3.4Å; W255-Y257 VanDerWaalsContact C-N 3.27Å; W255-Y257 PolarHBondContact O-N 3.4Å; W255-V258 HydrophobicContact CE3-CB 4.4Å; W255-V258 HydrophobicContact CE3-CG1 4.34Å; W255-V258 HydrophobicContact CZ3-CG1 4.11Å; W255-V258 PolarHBondContact O-N 2.81Å; W255-V258 VanDerWaalsContact O-N 3.15Å; W255-L259 HydrophobicContact CD2-CB 4.48Å; W255-L259 HydrophobicContact CH2-CD1 4.42Å; W255-L259 HydrophobicContact CZ2-CB 4.11Å; W255-L259 HydrophobicContact CZ2-CD1 3.95Å; W255-L259 HydrophobicContact CZ2-CD2 4.49Å; W255-L259 HydrophobicContact CZ2-CG 4.41Å; W255-L259 WeakPolarHBondContact O-CB 3.33Å; W255-L259 PolarHBondContact O-N 3.19Å
256P95.3Very high91.8Very high77 Ų7736.9 Ų36.950%0.518%0.181SC..Hα-helixtrans-59.2-36.1-179.3-26.235.6000113.8H252 L260H252-P256 VanDerWaalsContact O-CD 3.3Å; H252-P256 WeakPolarHBondContact O-CD 3.48Å; P256-L260 WeakPolarHBondContact O-CB 3.41Å; P256-L260 PolarHBondContact O-N 3.47Å
257Y95.6Very high92.8Very high62 Ų6237.4 Ų37.424%0.24319%0.186CC..Hα-helixtrans-66.7-45.6176.5168.5-102.2000111.5M22 F181 F184 T185 S254 W255 L260 C261M22-Y257 HydrophobicContact CE-CD1 3.5Å; M22-Y257 VanDerWaalsContact CE-CD1 3.5Å; M22-Y257 HydrophobicContact CE-CE1 3.93Å; M22-Y257 HydrophobicContact CE-CG 4.39Å; M22-Y257 HydrophobicContact SD-CD1 4.17Å; M22-Y257 HydrophobicContact SD-CE1 4.07Å; F181-Y257 AromaticContact CD2-CE1 3.76Å; F181-Y257 HydrophobicContact CD2-CE1 3.76Å; F181-Y257 AromaticContact CD2-CZ 3.9Å; F181-Y257 AromaticContact CE2-CE1 3.89Å; F181-Y257 HydrophobicContact CE2-CE1 3.89Å; F181-Y257 HydrophobicContact CE2-CE2 4.25Å; F181-Y257 AromaticContact CE2-CZ 3.62Å; F181-Y257 WeakPolarHBondContact CE2-OH 3.46Å; F181-Y257 PolarHBondContact O-OH 3.32Å; F184-Y257 HydrophobicContact CB-CE1 3.74Å; F184-Y257 HydrophobicContact CG-CE1 4.49Å; T185-Y257 PolarHBondContact N-OH 2.84Å; T185-Y257 PolarHBondContact OG1-OH 3.25Å; S254-Y257 PolarHBondContact O-N 3.23Å; W255-Y257 VanDerWaalsContact C-N 3.27Å; W255-Y257 PolarHBondContact O-N 3.4Å; Y257-L260 PolarHBondContact O-N 2.99Å; Y257-C261 PolarHBondContact O-N 3.31Å; Y257-C261 PolarHBondContact O-SG 3.04Å
258V95.1Very high93.7Very high0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-63.4-47.9177.91710000110.9Y26 F184 S254 W255 L260 C261 L262Y26-V258 HydrophobicContact CD2-CB 4.4Å; Y26-V258 HydrophobicContact CD2-CG2 3.52Å; Y26-V258 HydrophobicContact CE2-CG2 3.87Å; Y26-V258 HydrophobicContact CG-CG1 4.28Å; Y26-V258 HydrophobicContact CG-CG2 4.07Å; F184-V258 HydrophobicContact CD1-CG1 4.11Å; F184-V258 HydrophobicContact CD1-CG2 4.39Å; F184-V258 HydrophobicContact CD2-CG2 3.98Å; F184-V258 HydrophobicContact CE1-CB 4.41Å; F184-V258 HydrophobicContact CE1-CG1 3.57Å; F184-V258 HydrophobicContact CE1-CG2 4.28Å; F184-V258 HydrophobicContact CE2-CG1 4.48Å; F184-V258 HydrophobicContact CE2-CG2 3.87Å; F184-V258 HydrophobicContact CG-CG2 4.27Å; F184-V258 HydrophobicContact CZ-CG1 3.8Å; F184-V258 HydrophobicContact CZ-CG2 4.04Å; S254-V258 PolarHBondContact O-N 3.12Å; W255-V258 HydrophobicContact CE3-CB 4.4Å; W255-V258 HydrophobicContact CE3-CG1 4.34Å; W255-V258 HydrophobicContact CZ3-CG1 4.11Å; W255-V258 PolarHBondContact O-N 2.81Å; W255-V258 VanDerWaalsContact O-N 3.15Å; V258-L260 VanDerWaalsContact C-N 3.3Å; V258-L260 PolarHBondContact O-N 3.42Å; V258-C261 PolarHBondContact O-N 2.98Å; V258-L262 HydrophobicContact CG1-CD1 3.87Å; V258-L262 HydrophobicContact CG1-CG 4.32Å; V258-L262 VanDerWaalsContact O-CG 3.32Å; V258-L262 WeakPolarHBondContact O-CG 3.28Å; V258-L262 PolarHBondContact O-N 3.21Å
259L95.7Very high94.2Very high30 Ų3032.7 Ų32.716%0.15716%0.161CC..Hα-helixtrans-54.8-47.6175.5178.962.3000111V66 W255 C261 L262 M263V66-L259 HydrophobicContact CG1-CD1 3.61Å; W255-L259 HydrophobicContact CD2-CB 4.48Å; W255-L259 HydrophobicContact CH2-CD1 4.42Å; W255-L259 HydrophobicContact CZ2-CB 4.11Å; W255-L259 HydrophobicContact CZ2-CD1 3.95Å; W255-L259 HydrophobicContact CZ2-CD2 4.49Å; W255-L259 HydrophobicContact CZ2-CG 4.41Å; W255-L259 WeakPolarHBondContact O-CB 3.33Å; W255-L259 PolarHBondContact O-N 3.19Å; L259-C261 PolarHBondContact O-N 3.09Å; L259-L262 PolarHBondContact O-N 2.95Å; L259-M263 HydrophobicContact CD1-CE 4.21Å; L259-M263 HydrophobicContact CD1-CG 3.93Å; L259-M263 HydrophobicContact CD1-SD 4.48Å; L259-M263 HydrophobicContact CG-CG 4.37Å; L259-M263 WeakPolarHBondContact O-CB 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.29Å; L259-M263 PolarHBondContact O-N 2.92Å
260L96.6Very high94.6Very high102 Ų10227 Ų2753%0.53414%0.136SC..Hα-helixtrans-59.2-48.1178.5179.963.5000111.9P256 Y257 V258 L262 M263 L264P256-L260 WeakPolarHBondContact O-CB 3.41Å; P256-L260 PolarHBondContact O-N 3.47Å; Y257-L260 PolarHBondContact O-N 2.99Å; V258-L260 VanDerWaalsContact C-N 3.3Å; V258-L260 PolarHBondContact O-N 3.42Å; L260-L262 PolarHBondContact O-N 2.7Å; L260-M263 PolarHBondContact O-N 2.9Å; L260-L264 HydrophobicContact CD1-CD1 4.08Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 3.92Å; L260-L264 HydrophobicContact CG-CG 4.42Å; L260-L264 WeakPolarHBondContact O-CB 3.22Å; L260-L264 VanDerWaalsContact O-CG 3.22Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 2.78Å
261C96.9Very high95Very high7 Ų727 Ų275%0.04714%0.136CC..Hα-helixtrans-62.6-43.1-179.4-65.70000112.4F184 Y257 V258 L259 N265F184-C261 HydrophobicContact CB-CB 4.07Å; F184-C261 HydrophobicContact CD1-CB 4.43Å; F184-C261 VanDerWaalsContact O-CB 3.25Å; F184-C261 WeakPolarHBondContact O-CB 3.25Å; F184-C261 PolarHBondContact O-SG 2.87Å; Y257-C261 PolarHBondContact O-N 3.31Å; Y257-C261 PolarHBondContact O-SG 3.04Å; V258-C261 PolarHBondContact O-N 2.98Å; L259-C261 PolarHBondContact O-N 3.09Å; C261-N265 WeakPolarHBondContact O-CB 3.49Å; C261-N265 PolarHBondContact O-N 3.24Å
262L96Very high95.3Very high1 Ų127.9 Ų27.91%0.00514%0.14CC..Hα-helixtrans-62-47.8176.2-68174.2000111.1I29 P33 F184 L187 V258 L259 L260 L264 N265 Y266I29-L262 HydrophobicContact CD1-CD1 4.43Å; I29-L262 HydrophobicContact CG1-CD1 4.1Å; P33-L262 HydrophobicContact CG-CD2 3.52Å; F184-L262 HydrophobicContact CE1-CD2 4.4Å; L187-L262 HydrophobicContact CD1-CD2 4.06Å; V258-L262 HydrophobicContact CG1-CD1 3.87Å; V258-L262 HydrophobicContact CG1-CG 4.32Å; V258-L262 VanDerWaalsContact O-CG 3.32Å; V258-L262 WeakPolarHBondContact O-CG 3.28Å; V258-L262 PolarHBondContact O-N 3.21Å; L259-L262 PolarHBondContact O-N 2.95Å; L260-L262 PolarHBondContact O-N 2.7Å; L262-L264 PolarHBondContact O-N 2.63Å; L262-N265 PolarHBondContact O-N 3.06Å; L262-Y266 HydrophobicContact CB-CE2 4.39Å; L262-Y266 WeakPolarHBondContact O-CD2 3.43Å; L262-Y266 PolarHBondContact O-N 3.32Å
263M95.8Very high95.5Very high23 Ų2324.8 Ų24.811%0.11313%0.125CC..Hα-helixtrans-66.9-38.1-178-66.3-52.5104.400112.3V62 F63 V66 L259 L260 N265 Y266 A267V62-M263 HydrophobicContact CG1-CE 4.47Å; F63-M263 HydrophobicContact CB-SD 3.95Å; F63-M263 HydrophobicContact CD2-CG 3.77Å; F63-M263 HydrophobicContact CD2-SD 3.5Å; F63-M263 VanDerWaalsContact CD2-SD 3.5Å; F63-M263 HydrophobicContact CE2-CG 4.19Å; F63-M263 HydrophobicContact CE2-SD 4.44Å; F63-M263 HydrophobicContact CG-SD 4.17Å; V66-M263 HydrophobicContact CB-CE 4.23Å; V66-M263 HydrophobicContact CG1-CE 4.26Å; V66-M263 HydrophobicContact CG2-CE 4.14Å; L259-M263 HydrophobicContact CD1-CE 4.21Å; L259-M263 HydrophobicContact CD1-CG 3.93Å; L259-M263 HydrophobicContact CD1-SD 4.48Å; L259-M263 HydrophobicContact CG-CG 4.37Å; L259-M263 WeakPolarHBondContact O-CB 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.29Å; L259-M263 PolarHBondContact O-N 2.92Å; L260-M263 PolarHBondContact O-N 2.9Å; M263-N265 VanDerWaalsContact C-N 3.31Å; M263-N265 PolarHBondContact O-N 3.35Å; M263-Y266 HydrophobicContact CE-CD2 3.66Å; M263-Y266 HydrophobicContact CE-CE2 3.92Å; M263-Y266 PolarHBondContact O-N 2.95Å; M263-Y266 HydrophobicContact SD-CD2 4.5Å; M263-A267 VanDerWaalsContact O-CB 3.32Å; M263-A267 WeakPolarHBondContact O-CB 3.45Å; M263-A267 PolarHBondContact O-N 3.48Å
264L96.8Very high95.5Very high38 Ų3819.7 Ų19.720%0.19910%0.104CC..Hα-helixtrans-60.9-42.2172.3-73.4170.9000111.3G191 I192 I195 L260 L262 A267 G268G191-L264 WeakPolarHBondContact CA-O 3.37Å; I192-L264 HydrophobicContact CD1-CD1 3.85Å; I192-L264 HydrophobicContact CG1-CD1 3.93Å; I192-L264 HydrophobicContact CG1-CD2 3.96Å; I192-L264 HydrophobicContact CG1-CG 4.4Å; I195-L264 HydrophobicContact CD1-CD2 3.84Å; L260-L264 HydrophobicContact CD1-CD1 4.08Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 3.92Å; L260-L264 HydrophobicContact CG-CG 4.42Å; L260-L264 WeakPolarHBondContact O-CB 3.22Å; L260-L264 VanDerWaalsContact O-CG 3.22Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 2.78Å; L262-L264 PolarHBondContact O-N 2.63Å; L264-A267 PolarHBondContact O-N 2.88Å; L264-G268 PolarHBondContact O-N 3.02Å
265N96.7Very high95.5Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-65.4-47178.7-167.4-97.2000112.1P33 L187 C261 L262 M263 A267 G268 Q269P33-N265 VanDerWaalsContact CB-OD1 3.3Å; P33-N265 WeakPolarHBondContact CB-OD1 3.3Å; L187-N265 HydrophobicContact CB-CB 4.13Å; L187-N265 WeakPolarHBondContact O-CB 3.08Å; L187-N265 PolarHBondContact O-ND2 3.03Å; C261-N265 WeakPolarHBondContact O-CB 3.49Å; C261-N265 PolarHBondContact O-N 3.24Å; L262-N265 PolarHBondContact O-N 3.06Å; M263-N265 VanDerWaalsContact C-N 3.31Å; M263-N265 PolarHBondContact O-N 3.35Å; N265-A267 VanDerWaalsContact C-N 3.32Å; N265-A267 PolarHBondContact O-N 2.75Å; N265-G268 PolarHBondContact O-N 3.18Å; N265-Q269 WeakPolarHBondContact O-CG 3.43Å; N265-Q269 PolarHBondContact O-N 3.02Å; N265-Q269 PolarHBondContact OD1-NE2 3.36Å
266Y96.7Very high95.3Very high1 Ų125 Ų250%0.00413%0.129CC..Hα-helixtrans-60.1-41175.3-71.5-57000112.5S32 P33 V36 M37 V62 L262 M263 Q269 A270S32-Y266 PolarHBondContact OG-OH 3.06Å; P33-Y266 HydrophobicContact CB-CE1 4.3Å; P33-Y266 HydrophobicContact CG-CE2 4.5Å; V36-Y266 HydrophobicContact CB-CE1 3.86Å; V36-Y266 HydrophobicContact CG1-CE1 3.83Å; M37-Y266 HydrophobicContact CG-CD1 3.84Å; M37-Y266 HydrophobicContact CG-CE1 4.26Å; M37-Y266 HydrophobicContact SD-CD1 4.18Å; V62-Y266 HydrophobicContact CG1-CD1 4.32Å; V62-Y266 HydrophobicContact CG1-CD2 3.62Å; V62-Y266 HydrophobicContact CG1-CE1 4.35Å; V62-Y266 HydrophobicContact CG1-CE2 3.63Å; V62-Y266 HydrophobicContact CG1-CG 3.99Å; L262-Y266 HydrophobicContact CB-CE2 4.39Å; L262-Y266 WeakPolarHBondContact O-CD2 3.43Å; L262-Y266 PolarHBondContact O-N 3.32Å; M263-Y266 HydrophobicContact CE-CD2 3.66Å; M263-Y266 HydrophobicContact CE-CE2 3.92Å; M263-Y266 PolarHBondContact O-N 2.95Å; M263-Y266 HydrophobicContact SD-CD2 4.5Å; Y266-Q269 PolarHBondContact O-N 3.49Å; Y266-A270 WeakPolarHBondContact O-CB 3.24Å; Y266-A270 PolarHBondContact O-N 3.3Å
267A96.3Very high94.7Very high13 Ų1325.7 Ų25.711%0.10712%0.124CC..Hα-helixtrans-63.8-40.617500000112.3I195 V201 M263 L264 N265 A270 A271I195-A267 HydrophobicContact CD1-CB 4.2Å; I195-A267 HydrophobicContact CG1-CB 4.18Å; V201-A267 HydrophobicContact CB-CB 4.47Å; V201-A267 HydrophobicContact CG2-CB 4.07Å; M263-A267 VanDerWaalsContact O-CB 3.32Å; M263-A267 WeakPolarHBondContact O-CB 3.45Å; M263-A267 PolarHBondContact O-N 3.48Å; L264-A267 PolarHBondContact O-N 2.88Å; N265-A267 VanDerWaalsContact C-N 3.32Å; N265-A267 PolarHBondContact O-N 2.75Å; A267-A270 PolarHBondContact O-N 2.93Å; A267-A271 WeakPolarHBondContact O-CB 3.46Å; A267-A271 PolarHBondContact O-N 3.08Å
268G96.6Very high94.1Very high0 Ų025.7 Ų25.70%014%0.144CC..Hα-helixtrans-66.2-44175.300000113.1G191 N194 L264 N265 A270 A271 W272G191-G268 WeakPolarHBondContact O-CA 2.92Å; N194-G268 WeakPolarHBondContact CB-O 3.26Å; L264-G268 PolarHBondContact O-N 3.02Å; N265-G268 PolarHBondContact O-N 3.18Å; G268-A270 VanDerWaalsContact C-N 3.29Å; G268-A270 PolarHBondContact O-N 3.47Å; G268-A271 PolarHBondContact O-N 3.46Å; G268-W272 WeakPolarHBondContact O-CB 3.36Å; G268-W272 PolarHBondContact O-N 3.14Å
269Q96.1Very high93.7Very high0 Ų029.1 Ų29.10%016%0.162CC..Hα-helixtrans-58.2-42.8173.3-70.1-169.651.100111.2P33 M37 N265 Y266 W272 I273 P290 I294P33-Q269 PolarHBondContact O-NE2 3.05Å; M37-Q269 HydrophobicContact CG-CB 4.12Å; N265-Q269 WeakPolarHBondContact O-CG 3.43Å; N265-Q269 PolarHBondContact O-N 3.02Å; N265-Q269 PolarHBondContact OD1-NE2 3.36Å; Y266-Q269 PolarHBondContact O-N 3.49Å; Q269-W272 PolarHBondContact O-N 2.81Å; Q269-I273 WeakPolarHBondContact O-CD1 3.49Å; Q269-I273 WeakPolarHBondContact O-CG1 3.31Å; Q269-I273 PolarHBondContact O-N 3.01Å; Q269-P290 HydrophobicContact CB-CB 4.32Å; Q269-P290 HydrophobicContact CG-CB 4.44Å; Q269-I294 HydrophobicContact CB-CG2 4.41Å; Q269-I294 HydrophobicContact CG-CD1 3.84Å; Q269-I294 HydrophobicContact CG-CG1 4.46Å; Q269-I294 HydrophobicContact CG-CG2 4.07Å
270A95.8Very high93Very high0 Ų031.6 Ų31.60%019%0.187CC..Hα-helixtrans-64.2-42.9175.400000113.8V55 V59 V201 Y266 A267 G268 W272 I273 L274V55-A270 HydrophobicContact CG1-CB 3.4Å; V59-A270 HydrophobicContact CG2-CB 3.38Å; V201-A270 HydrophobicContact CG1-CB 3.89Å; Y266-A270 WeakPolarHBondContact O-CB 3.24Å; Y266-A270 PolarHBondContact O-N 3.3Å; A267-A270 PolarHBondContact O-N 2.93Å; G268-A270 VanDerWaalsContact C-N 3.29Å; G268-A270 PolarHBondContact O-N 3.47Å; A270-W272 VanDerWaalsContact C-N 3.29Å; A270-W272 PolarHBondContact O-N 3.44Å; A270-I273 PolarHBondContact O-N 2.89Å; A270-L274 VanDerWaalsContact O-CG 3.31Å; A270-L274 WeakPolarHBondContact O-CG 3.37Å; A270-L274 PolarHBondContact O-N 3.3Å
271A95.6Very high92.3Very high0 Ų030.9 Ų30.90%019%0.19CC..Hα-helixtrans-62.6-40.7177.700000110.9N194 V201 A267 G268 L274 H275N194-A271 WeakPolarHBondContact O-CB 3.32Å; V201-A271 HydrophobicContact CG1-CB 3.92Å; V201-A271 HydrophobicContact CG2-CB 4.45Å; A267-A271 WeakPolarHBondContact O-CB 3.46Å; A267-A271 PolarHBondContact O-N 3.08Å; G268-A271 PolarHBondContact O-N 3.46Å; A271-L274 PolarHBondContact O-N 3.47Å; A271-H275 WeakPolarHBondContact O-CB 3.4Å; A271-H275 PolarHBondContact O-N 3.11Å; A271-H275 VanDerWaalsContact O-N 3.07Å
272W94.8Very high91.6Very high20 Ų2031.8 Ų31.88%0.07619%0.194CC..Hα-helixtrans-64.4-45.1173.7-179.192000112.4G268 Q269 A270 L274 H275 S276 I282 L288 P290 Q293 I294G268-W272 WeakPolarHBondContact O-CB 3.36Å; G268-W272 PolarHBondContact O-N 3.14Å; Q269-W272 PolarHBondContact O-N 2.81Å; A270-W272 VanDerWaalsContact C-N 3.29Å; A270-W272 PolarHBondContact O-N 3.44Å; W272-L274 VanDerWaalsContact C-N 3.3Å; W272-L274 PolarHBondContact O-N 3.11Å; W272-H275 PolarHBondContact O-N 3.39Å; W272-H275 VanDerWaalsContact O-N 3.17Å; W272-S276 WeakPolarHBondContact CZ2-OG 3.28Å; W272-S276 PolarHBondContact NE1-OG 3.37Å; W272-S276 VanDerWaalsContact O-CB 3.29Å; W272-S276 WeakPolarHBondContact O-CB 3.47Å; W272-S276 PolarHBondContact O-N 2.91Å; W272-S276 PolarHBondContact O-OG 3.05Å; W272-S276 VanDerWaalsContact O-OG 3.05Å; W272-I282 HydrophobicContact CH2-CG2 3.7Å; W272-I282 HydrophobicContact CZ2-CD1 4.29Å; W272-I282 HydrophobicContact CZ2-CG2 4.06Å; W272-L288 HydrophobicContact CH2-CD1 4.16Å; W272-L288 HydrophobicContact CH2-CD2 4.16Å; W272-L288 HydrophobicContact CZ3-CD2 4.12Å; W272-P290 HydrophobicContact CE3-CB 4.26Å; W272-P290 HydrophobicContact CZ3-CB 4.3Å; W272-Q293 HydrophobicContact CD2-CB 4.24Å; W272-Q293 HydrophobicContact CE3-CB 4.31Å; W272-Q293 HydrophobicContact CH2-CB 3.42Å; W272-Q293 VanDerWaalsContact CH2-CB 3.42Å; W272-Q293 HydrophobicContact CH2-CG 3.81Å; W272-Q293 HydrophobicContact CZ2-CB 3.28Å; W272-Q293 HydrophobicContact CZ2-CG 4.02Å; W272-Q293 HydrophobicContact CZ3-CB 3.93Å; W272-Q293 HydrophobicContact CZ3-CG 4.45Å; W272-Q293 PolarHBondContact NE1-O 3.35Å; W272-I294 HydrophobicContact CB-CG2 3.53Å; W272-I294 HydrophobicContact CD2-CG2 4.24Å; W272-I294 HydrophobicContact CG-CG2 3.72Å
273I94Very high90.9Very high1 Ų135.1 Ų35.11%0.00521%0.21CC..Hα-helixtrans-57.5-44.8176.7-72161.7000110.9M37 L41 L47 V50 V55 Q269 A270 H275 K277 P290M37-I273 HydrophobicContact CE-CD1 3.54Å; L41-I273 HydrophobicContact CD1-CD1 3.81Å; L41-I273 HydrophobicContact CD1-CG1 4.07Å; L41-I273 HydrophobicContact CD2-CD1 4.17Å; L41-I273 HydrophobicContact CD2-CG2 4.13Å; L41-I273 HydrophobicContact CG-CD1 4.2Å; L47-I273 HydrophobicContact CD1-CB 4.46Å; L47-I273 HydrophobicContact CD1-CG2 3.71Å; V50-I273 HydrophobicContact CG1-CG2 4.08Å; V55-I273 HydrophobicContact CG2-CG2 3.71Å; Q269-I273 WeakPolarHBondContact O-CD1 3.49Å; Q269-I273 WeakPolarHBondContact O-CG1 3.31Å; Q269-I273 PolarHBondContact O-N 3.01Å; A270-I273 PolarHBondContact O-N 2.89Å; I273-H275 VanDerWaalsContact C-N 3.32Å; I273-H275 PolarHBondContact O-N 2.87Å; I273-K277 PolarHBondContact O-N 2.87Å; I273-P290 HydrophobicContact CD1-CB 4.11Å; I273-P290 HydrophobicContact CD1-CG 3.94Å; I273-P290 HydrophobicContact CG1-CB 4.2Å; I273-P290 HydrophobicContact CG1-CG 4.19Å
274L92.8Very high89.9Confident29 Ų2937 Ų3715%0.15224%0.235CC..Hα-helixtrans-64.9-36.5179-69.4174.4000112.6K52 V55 D198 V201 A270 A271 W272K52-L274 HydrophobicContact CB-CD2 4.11Å; K52-L274 HydrophobicContact CG-CD2 4.1Å; V55-L274 HydrophobicContact CB-CD2 3.87Å; V55-L274 HydrophobicContact CB-CG 4.18Å; V55-L274 HydrophobicContact CG1-CD1 4.43Å; V55-L274 HydrophobicContact CG1-CD2 4.38Å; V55-L274 HydrophobicContact CG1-CG 4.13Å; V55-L274 HydrophobicContact CG2-CD2 3.7Å; V55-L274 HydrophobicContact CG2-CG 4.22Å; D198-L274 HydrophobicContact CB-CB 4.47Å; D198-L274 HydrophobicContact CB-CD1 4.24Å; V201-L274 HydrophobicContact CG1-CD1 4.12Å; A270-L274 VanDerWaalsContact O-CG 3.31Å; A270-L274 WeakPolarHBondContact O-CG 3.37Å; A270-L274 PolarHBondContact O-N 3.3Å; A271-L274 PolarHBondContact O-N 3.47Å; W272-L274 VanDerWaalsContact C-N 3.3Å; W272-L274 PolarHBondContact O-N 3.11Å
275H91.9Very high89Confident114 Ų11438.4 Ų38.453%0.52824%0.242SC..Hα-helixtrans-74.7-40178.4-177.968.5000112.9Y197 A271 W272 I273 K277Y197-H275 HydrophobicContact CD1-CB 4.46Å; Y197-H275 AromaticContact CD1-CD2 3.86Å; Y197-H275 AromaticContact CD1-CG 3.86Å; Y197-H275 AromaticContact CE1-NE2 3.99Å; Y197-H275 HydrophobicContact CG-CB 4.28Å; A271-H275 WeakPolarHBondContact O-CB 3.4Å; A271-H275 PolarHBondContact O-N 3.11Å; A271-H275 VanDerWaalsContact O-N 3.07Å; W272-H275 PolarHBondContact O-N 3.39Å; W272-H275 VanDerWaalsContact O-N 3.17Å; I273-H275 VanDerWaalsContact C-N 3.32Å; I273-H275 PolarHBondContact O-N 2.87Å; H275-K277 VanDerWaalsContact C-N 3.31Å; H275-K277 PolarHBondContact O-N 3.26Å
276S89.5Confident87.8Confident6 Ų645.6 Ų45.64%0.04228%0.276CS..Hα-helixtrans-77.7-15-176.7-64.50000113.6W272 G278 N279W272-S276 WeakPolarHBondContact CZ2-OG 3.28Å; W272-S276 PolarHBondContact NE1-OG 3.37Å; W272-S276 VanDerWaalsContact O-CB 3.29Å; W272-S276 WeakPolarHBondContact O-CB 3.47Å; W272-S276 PolarHBondContact O-N 2.91Å; W272-S276 PolarHBondContact O-OG 3.05Å; W272-S276 VanDerWaalsContact O-OG 3.05Å; S276-G278 PolarHBondContact O-N 3.42Å; S276-N279 WeakPolarHBondContact O-CB 3.45Å; S276-N279 PolarHBondContact O-N 3.41Å; S276-N279 VanDerWaalsContact O-N 3.16Å
277K84.3Confident86.7Confident92 Ų9249.2 Ų49.240%0.430%0.295SS..THydrogen-bonded Turntrans-59.5132.2175.6-174.4-176.6176.3-179.50111V50 I273 H275 N279V50-K277 VanDerWaalsContact O-CD 3.25Å; V50-K277 WeakPolarHBondContact O-CD 3.46Å; V50-K277 WeakPolarHBondContact O-CE 3.39Å; V50-K277 PolarHBondContact O-NZ 3.22Å; I273-K277 PolarHBondContact O-N 2.87Å; H275-K277 VanDerWaalsContact C-N 3.31Å; H275-K277 PolarHBondContact O-N 3.26Å; K277-N279 VanDerWaalsContact C-N 3.35Å
278G82.2Confident86.2Confident63 Ų6349.7 Ų49.765%0.64930%0.296SS*.THydrogen-bonded Turntrans89.3-4.5-177.400000114S276 A280 E283S276-G278 PolarHBondContact O-N 3.42Å; G278-A280 PolarHBondContact O-N 3.25Å; G278-E283 WeakPolarHBondContact CA-OE1 3.23Å; G278-E283 PolarHBondContact N-OE1 3.43Å
279N86.2Confident85.9Confident72 Ų7250.3 Ų50.339%0.38530%0.299SS..  trans-85.4102.4169.5-172.7-13.5000110.3S276 K277 S281 I282 E283S276-N279 WeakPolarHBondContact O-CB 3.45Å; S276-N279 PolarHBondContact O-N 3.41Å; S276-N279 VanDerWaalsContact O-N 3.16Å; K277-N279 VanDerWaalsContact C-N 3.35Å; N279-S281 PolarHBondContact O-N 2.9Å; N279-S281 VanDerWaalsContact O-N 3.08Å; N279-S281 PolarHBondContact OD1-N 3.35Å; N279-S281 VanDerWaalsContact OD1-N 3.14Å; N279-S281 PolarHBondContact OD1-OG 3.16Å; N279-I282 HydrophobicContact CB-CB 4.37Å; N279-I282 HydrophobicContact CB-CD1 4.04Å; N279-I282 HydrophobicContact CB-CG1 4.19Å; N279-I282 WeakPolarHBondContact ND2-CD1 3.43Å; N279-I282 PolarHBondContact O-N 3.38Å; N279-E283 PolarHBondContact O-N 3.4Å
280A81.1Confident85.7Confident81 Ų8150.3 Ų50.367%0.66930%0.299SS*.Hα-helixtrans-55.4-29.7-177.800000114G278 G284G278-A280 PolarHBondContact O-N 3.25Å; A280-G284 PolarHBondContact O-N 2.89Å
281S81.8Confident85.5Confident88 Ų8850.3 Ų50.362%0.61530%0.299SS*.Hα-helixtrans-72.4-30.6178.559.40000113.2N279N279-S281 PolarHBondContact O-N 2.9Å; N279-S281 VanDerWaalsContact O-N 3.08Å; N279-S281 PolarHBondContact OD1-N 3.35Å; N279-S281 VanDerWaalsContact OD1-N 3.14Å; N279-S281 PolarHBondContact OD1-OG 3.16Å
282I82.4Confident85.4Confident26 Ų2650.7 Ų50.713%0.13330%0.301CS..Hα-helixtrans-85-40177.7-58.4176.5000110.2L47 W272 N279 G284 I285 L288L47-I282 HydrophobicContact CD2-CB 4.39Å; L47-I282 HydrophobicContact CD2-CG2 3.72Å; W272-I282 HydrophobicContact CH2-CG2 3.7Å; W272-I282 HydrophobicContact CZ2-CD1 4.29Å; W272-I282 HydrophobicContact CZ2-CG2 4.06Å; N279-I282 HydrophobicContact CB-CB 4.37Å; N279-I282 HydrophobicContact CB-CD1 4.04Å; N279-I282 HydrophobicContact CB-CG1 4.19Å; N279-I282 WeakPolarHBondContact ND2-CD1 3.43Å; N279-I282 PolarHBondContact O-N 3.38Å; I282-G284 PolarHBondContact O-N 3.39Å; I282-I285 HydrophobicContact CG2-CD1 4.41Å; I282-I285 WeakPolarHBondContact O-CB 3.49Å; I282-I285 WeakPolarHBondContact O-CG1 3.47Å; I282-I285 PolarHBondContact O-N 2.84Å; I282-I285 VanDerWaalsContact O-N 3.11Å; I282-L288 HydrophobicContact CG2-CD1 3.8Å
283E80.7Confident85.3Confident70 Ų7052.3 Ų52.333%0.32731%0.309SS..Hα-helixtrans-62.3-27.2178.3-70.8-177.1-178.600113L47 G278 N279 I285L47-E283 HydrophobicContact CB-CG 4.22Å; L47-E283 HydrophobicContact CD2-CG 3.95Å; L47-E283 HydrophobicContact CG-CG 4.13Å; G278-E283 WeakPolarHBondContact CA-OE1 3.23Å; G278-E283 PolarHBondContact N-OE1 3.43Å; N279-E283 PolarHBondContact O-N 3.4Å; E283-I285 VanDerWaalsContact C-N 3.3Å; E283-I285 PolarHBondContact O-N 2.95Å
284G76.5Confident85.2Confident62 Ų6252.5 Ų52.564%0.63931%0.31SS*.THydrogen-bonded Turntrans-78.9-3.8176.300000115.3A280 I282 E286A280-G284 PolarHBondContact O-N 2.89Å; I282-G284 PolarHBondContact O-N 3.39Å; G284-E286 PolarHBondContact O-N 2.96Å
285I77.5Confident85.2Confident69 Ų6951.7 Ų51.735%0.35431%0.306SS..  trans-75.6108.8180-59.7173.7000109.3I282 E283 N287 L288I282-I285 HydrophobicContact CG2-CD1 4.41Å; I282-I285 WeakPolarHBondContact O-CB 3.49Å; I282-I285 WeakPolarHBondContact O-CG1 3.47Å; I282-I285 PolarHBondContact O-N 2.84Å; I282-I285 VanDerWaalsContact O-N 3.11Å; E283-I285 VanDerWaalsContact C-N 3.3Å; E283-I285 PolarHBondContact O-N 2.95Å; I285-N287 PolarHBondContact O-N 3.3Å; I285-L288 HydrophobicContact CB-CD1 3.9Å; I285-L288 HydrophobicContact CD1-CD1 3.92Å; I285-L288 HydrophobicContact CG1-CD1 4.44Å; I285-L288 HydrophobicContact CG2-CD1 4.11Å; I285-L288 PolarHBondContact O-N 3.16Å
286E71.6Confident85.1Confident151 Ų15148.8 Ų48.871%0.70630%0.297SS*.THydrogen-bonded Turntrans-61133.9170.2-66.7-173.7171.900110.6G284 L288G284-E286 PolarHBondContact O-N 2.96Å; E286-L288 PolarHBondContact O-N 3.23Å
287N73.6Confident84.7Confident77 Ų7756.5 Ų56.541%0.41234%0.338SS..THydrogen-bonded Turntrans59.339-177.8-54.4-62.3000114.5I285 N289I285-N287 PolarHBondContact O-N 3.3Å; N287-N289 PolarHBondContact O-N 3.04Å; N287-N289 VanDerWaalsContact O-N 3.12Å
288L84.4Confident84.7Confident22 Ų2255.6 Ų55.612%0.11536%0.355CS..  trans-48.5118.1174.3-172.485.6000111.4L41 L47 W272 I282 I285 E286 Q293L41-L288 HydrophobicContact CD1-CD2 4.35Å; L47-L288 HydrophobicContact CB-CD2 4.16Å; L47-L288 HydrophobicContact CD2-CD2 4.11Å; W272-L288 HydrophobicContact CH2-CD1 4.16Å; W272-L288 HydrophobicContact CH2-CD2 4.16Å; W272-L288 HydrophobicContact CZ3-CD2 4.12Å; I282-L288 HydrophobicContact CG2-CD1 3.8Å; I285-L288 HydrophobicContact CB-CD1 3.9Å; I285-L288 HydrophobicContact CD1-CD1 3.92Å; I285-L288 HydrophobicContact CG1-CD1 4.44Å; I285-L288 HydrophobicContact CG2-CD1 4.11Å; I285-L288 PolarHBondContact O-N 3.16Å; E286-L288 PolarHBondContact O-N 3.23Å; L288-Q293 HydrophobicContact CD1-CG 3.92Å; L288-Q293 HydrophobicContact CG-CG 4.48Å
289N90.1Very high85.1Confident13 Ų1358.6 Ų58.67%0.0735%0.347CS..  trans-108.3106.7172.8-172.4-20.3000109.9L34 K38 N287 F291 F292 Q293L34-N289 PolarHBondContact O-ND2 3.1Å; L34-N289 PolarHBondContact O-OD1 3.4Å; K38-N289 HydrophobicContact CD-CB 4.23Å; K38-N289 HydrophobicContact CG-CB 4.41Å; N287-N289 PolarHBondContact O-N 3.04Å; N287-N289 VanDerWaalsContact O-N 3.12Å; N289-F291 PolarHBondContact O-N 2.86Å; N289-F291 VanDerWaalsContact O-N 3.12Å; N289-F291 VanDerWaalsContact OD1-CB 3.31Å; N289-F291 WeakPolarHBondContact OD1-CB 3.13Å; N289-F291 PolarHBondContact OD1-N 3.48Å; N289-F291 VanDerWaalsContact OD1-N 3.09Å; N289-F292 HydrophobicContact CB-CD2 3.96Å; N289-F292 PolarHBondContact O-N 3.29Å; N289-F292 VanDerWaalsContact O-N 3.12Å; N289-Q293 WeakPolarHBondContact O-CG 3.27Å; N289-Q293 PolarHBondContact O-N 3.27Å
290P92Very high85.3Confident0 Ų056.6 Ų56.60%034%0.335CS..Hα-helixtrans-57.1-30.8-177.1-24.834.7000113.3M37 L41 Q269 W272 I273 F292 Q293 I294M37-P290 HydrophobicContact CB-CB 4.43Å; M37-P290 HydrophobicContact CB-CG 4.17Å; L41-P290 HydrophobicContact CD1-CG 3.23Å; L41-P290 HydrophobicContact CG-CG 4.39Å; Q269-P290 HydrophobicContact CB-CB 4.32Å; Q269-P290 HydrophobicContact CG-CB 4.44Å; W272-P290 HydrophobicContact CE3-CB 4.26Å; W272-P290 HydrophobicContact CZ3-CB 4.3Å; I273-P290 HydrophobicContact CD1-CB 4.11Å; I273-P290 HydrophobicContact CD1-CG 3.94Å; I273-P290 HydrophobicContact CG1-CB 4.2Å; I273-P290 HydrophobicContact CG1-CG 4.19Å; P290-F292 VanDerWaalsContact C-N 3.34Å; P290-F292 PolarHBondContact O-N 3.19Å; P290-Q293 PolarHBondContact O-N 3.14Å; P290-Q293 VanDerWaalsContact O-N 3.16Å; P290-I294 WeakPolarHBondContact O-CG2 3.4Å; P290-I294 PolarHBondContact O-N 2.92Å
291F93.5Very high85.8Confident0 Ų057 Ų570%033%0.325CS..Hα-helixtrans-58-44.4178176.2-94.5000113P33 L34 W183 F186 L187 N289 Q293 I294 A307P33-F291 HydrophobicContact CB-CD2 4.46Å; L34-F291 HydrophobicContact CD2-CD1 3.33Å; L34-F291 HydrophobicContact CD2-CD2 4.15Å; L34-F291 HydrophobicContact CD2-CE1 3.25Å; L34-F291 HydrophobicContact CD2-CE2 4.09Å; L34-F291 HydrophobicContact CD2-CG 3.79Å; L34-F291 HydrophobicContact CD2-CZ 3.66Å; W183-F291 HydrophobicContact CH2-CE1 4.12Å; W183-F291 HydrophobicContact CH2-CE2 4.23Å; W183-F291 AromaticContact CH2-CZ 3.45Å; W183-F291 HydrophobicContact CH2-CZ 3.45Å; W183-F291 VanDerWaalsContact CH2-CZ 3.45Å; W183-F291 HydrophobicContact CZ2-CZ 4.12Å; W183-F291 HydrophobicContact CZ3-CZ 4.24Å; F186-F291 HydrophobicContact CE1-CZ 4.13Å; L187-F291 HydrophobicContact CD2-CD2 4.43Å; L187-F291 HydrophobicContact CD2-CE2 3.47Å; L187-F291 VanDerWaalsContact CD2-CE2 3.47Å; L187-F291 HydrophobicContact CD2-CZ 4.17Å; N289-F291 PolarHBondContact O-N 2.86Å; N289-F291 VanDerWaalsContact O-N 3.12Å; N289-F291 VanDerWaalsContact OD1-CB 3.31Å; N289-F291 WeakPolarHBondContact OD1-CB 3.13Å; N289-F291 PolarHBondContact OD1-N 3.48Å; N289-F291 VanDerWaalsContact OD1-N 3.09Å; F291-Q293 VanDerWaalsContact C-N 3.33Å; F291-I294 WeakPolarHBondContact O-CG1 3.46Å; F291-A307 HydrophobicContact CE1-CB 4.42Å
292F92.8Very high86.3Confident8 Ų857.7 Ų57.74%0.03532%0.318CS..Hα-helixtrans-77.6-24.5179.6-70.8-62.9000111.9N289 P290 L295 M300 V304 A307N289-F292 HydrophobicContact CB-CD2 3.96Å; N289-F292 PolarHBondContact O-N 3.29Å; N289-F292 VanDerWaalsContact O-N 3.12Å; P290-F292 VanDerWaalsContact C-N 3.34Å; P290-F292 PolarHBondContact O-N 3.19Å; F292-L295 HydrophobicContact CD1-CD1 4.19Å; F292-L295 WeakPolarHBondContact O-CB 3.15Å; F292-L295 WeakPolarHBondContact O-CG 3.34Å; F292-M300 HydrophobicContact CB-CE 3.96Å; F292-M300 HydrophobicContact CB-SD 3.78Å; F292-M300 HydrophobicContact CD1-SD 3.89Å; F292-M300 HydrophobicContact CG-SD 4.13Å; F292-M300 VanDerWaalsContact O-CE 3.23Å; F292-M300 WeakPolarHBondContact O-CE 3.41Å; F292-V304 HydrophobicContact CD1-CG2 4.12Å; F292-V304 HydrophobicContact CE1-CG2 3.74Å; F292-V304 HydrophobicContact CZ-CG2 4.43Å; F292-A307 HydrophobicContact CE1-CB 4.34Å; F292-A307 HydrophobicContact CZ-CB 4.36Å
293Q91.3Very high86.8Confident55 Ų5556.5 Ų56.526%0.25731%0.311SS..Hα-helixtrans-83.8-22.3-177.6-60.7-66.5-4200114W272 L288 N289 P290 F291 L295W272-Q293 HydrophobicContact CD2-CB 4.24Å; W272-Q293 HydrophobicContact CE3-CB 4.31Å; W272-Q293 HydrophobicContact CH2-CB 3.42Å; W272-Q293 VanDerWaalsContact CH2-CB 3.42Å; W272-Q293 HydrophobicContact CH2-CG 3.81Å; W272-Q293 HydrophobicContact CZ2-CB 3.28Å; W272-Q293 HydrophobicContact CZ2-CG 4.02Å; W272-Q293 HydrophobicContact CZ3-CB 3.93Å; W272-Q293 HydrophobicContact CZ3-CG 4.45Å; W272-Q293 PolarHBondContact NE1-O 3.35Å; L288-Q293 HydrophobicContact CD1-CG 3.92Å; L288-Q293 HydrophobicContact CG-CG 4.48Å; N289-Q293 WeakPolarHBondContact O-CG 3.27Å; N289-Q293 PolarHBondContact O-N 3.27Å; P290-Q293 PolarHBondContact O-N 3.14Å; P290-Q293 VanDerWaalsContact O-N 3.16Å; F291-Q293 VanDerWaalsContact C-N 3.33Å; Q293-L295 PolarHBondContact O-N 2.97Å
294I92.5Very high87.4Confident4 Ų453.3 Ų53.32%0.02130%0.297CS..THydrogen-bonded Turntrans-73-10.2171.662.2163.7000113.6M190 N194 Q269 W272 P290 F291M190-I294 HydrophobicContact CB-CD1 3.92Å; N194-I294 PolarHBondContact ND2-O 3.5Å; Q269-I294 HydrophobicContact CB-CG2 4.41Å; Q269-I294 HydrophobicContact CG-CD1 3.84Å; Q269-I294 HydrophobicContact CG-CG1 4.46Å; Q269-I294 HydrophobicContact CG-CG2 4.07Å; W272-I294 HydrophobicContact CB-CG2 3.53Å; W272-I294 HydrophobicContact CD2-CG2 4.24Å; W272-I294 HydrophobicContact CG-CG2 3.72Å; P290-I294 WeakPolarHBondContact O-CG2 3.4Å; P290-I294 PolarHBondContact O-N 2.92Å; F291-I294 WeakPolarHBondContact O-CG1 3.46Å
295L92.7Very high88.3Confident13 Ų1355 Ų557%0.06829%0.29CS..SBendtrans-72.2139-179.7-60179.8000110F186 M190 F292 Q293 W299 M300F186-L295 HydrophobicContact CE1-CD2 4.2Å; F186-L295 HydrophobicContact CE2-CD2 4.38Å; F186-L295 HydrophobicContact CZ-CD2 3.53Å; M190-L295 HydrophobicContact CG-CD2 3.87Å; M190-L295 HydrophobicContact SD-CD2 3.75Å; F292-L295 HydrophobicContact CD1-CD1 4.19Å; F292-L295 WeakPolarHBondContact O-CB 3.15Å; F292-L295 WeakPolarHBondContact O-CG 3.34Å; Q293-L295 PolarHBondContact O-N 2.97Å; L295-W299 HydrophobicContact CB-CB 4.43Å; L295-M300 HydrophobicContact CD1-SD 4.41Å
296P89.4Confident89.1Confident52 Ų5252.7 Ų52.734%0.33828%0.277SS..PPolyproline II helixtrans-57.2151.8172.5-22.732.2000112.2M190 G298 W299M190-P296 HydrophobicContact SD-CG 4.47Å; P296-G298 PolarHBondContact O-N 3.42Å; P296-W299 HydrophobicContact CB-CG 4.19Å; P296-W299 HydrophobicContact CG-CG 4.36Å; P296-W299 WeakPolarHBondContact O-CB 3.2Å; P296-W299 PolarHBondContact O-N 3.03Å
297D82.1Confident90.2Very high168 Ų16845.5 Ų45.590%0.89824%0.244SC*.THydrogen-bonded Turntrans-53.1132.2176.2-64.4-34.3000111W299D297-W299 VanDerWaalsContact C-N 3.32Å; D297-W299 PolarHBondContact O-N 3.49Å
298G84.5Confident91.3Very high74 Ų7442.7 Ų42.776%0.76323%0.23SC*.THydrogen-bonded Turntrans85.2-12.7-176.200000115.6P296 M300P296-G298 PolarHBondContact O-N 3.42Å; G298-M300 VanDerWaalsContact C-N 3.35Å
299W90.8Very high91.7Very high126 Ų12644.7 Ų44.748%0.47724%0.24SC..  trans-85.9-5.1178.6-73.754.6000113.8F186 M190 L295 P296 D297 I301 F302 G303F186-W299 HydrophobicContact CE2-CE3 4.26Å; F186-W299 HydrophobicContact CE2-CZ3 4.37Å; M190-W299 HydrophobicContact CE-CE3 4.49Å; M190-W299 HydrophobicContact CE-CZ3 4.31Å; L295-W299 HydrophobicContact CB-CB 4.43Å; P296-W299 HydrophobicContact CB-CG 4.19Å; P296-W299 HydrophobicContact CG-CG 4.36Å; P296-W299 WeakPolarHBondContact O-CB 3.2Å; P296-W299 PolarHBondContact O-N 3.03Å; D297-W299 VanDerWaalsContact C-N 3.32Å; D297-W299 PolarHBondContact O-N 3.49Å; W299-I301 VanDerWaalsContact C-N 3.33Å; W299-I301 PolarHBondContact O-N 2.87Å; W299-F302 HydrophobicContact CE3-CD1 4.12Å; W299-F302 HydrophobicContact CZ3-CD1 4.46Å; W299-F302 WeakPolarHBondContact O-CB 3.44Å; W299-F302 PolarHBondContact O-N 3.09Å; W299-F302 VanDerWaalsContact O-N 3.09Å; W299-G303 PolarHBondContact O-N 2.89Å
300M89.6Confident91.9Very high29 Ų2944.1 Ų44.114%0.14324%0.236CC..Hα-helixtrans-53.2-47.3-178.3-174.164.768.300112.5I136 F292 L295 G298 F302 G303 V304I136-M300 HydrophobicContact CG1-CB 4.3Å; I136-M300 HydrophobicContact CG1-CG 3.57Å; F292-M300 HydrophobicContact CB-CE 3.96Å; F292-M300 HydrophobicContact CB-SD 3.78Å; F292-M300 HydrophobicContact CD1-SD 3.89Å; F292-M300 HydrophobicContact CG-SD 4.13Å; F292-M300 VanDerWaalsContact O-CE 3.23Å; F292-M300 WeakPolarHBondContact O-CE 3.41Å; L295-M300 HydrophobicContact CD1-SD 4.41Å; G298-M300 VanDerWaalsContact C-N 3.35Å; M300-F302 VanDerWaalsContact C-N 3.32Å; M300-F302 PolarHBondContact O-N 3.47Å; M300-G303 PolarHBondContact O-N 3.47Å; M300-V304 HydrophobicContact CG-CG2 4.39Å; M300-V304 VanDerWaalsContact O-CG2 3.31Å; M300-V304 WeakPolarHBondContact O-CG2 3.28Å; M300-V304 PolarHBondContact O-N 2.83Å; M300-V304 HydrophobicContact SD-CG2 4.26Å
301I91.4Very high92Very high89 Ų8944.1 Ų44.146%0.45624%0.236SC..Hα-helixtrans-58.7-46.5179.2-61.9170.3000110.4I136 W299 V304 I305I136-I301 HydrophobicContact CD1-CG1 3.95Å; I136-I301 HydrophobicContact CG1-CG1 4.14Å; I136-I301 HydrophobicContact CG2-CD1 4.47Å; I136-I301 HydrophobicContact CG2-CG1 4.07Å; W299-I301 VanDerWaalsContact C-N 3.33Å; W299-I301 PolarHBondContact O-N 2.87Å; I301-V304 PolarHBondContact O-N 3.38Å; I301-I305 HydrophobicContact CG2-CD1 3.87Å; I301-I305 VanDerWaalsContact O-CG1 3.29Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.22Å
302F92.5Very high92Very high104 Ų10446.5 Ų46.546%0.45625%0.249SC..Hα-helixtrans-63.9-43.8177.8-179.7-95.5000111.6F186 W299 M300 V304 I305 F306F186-F302 HydrophobicContact CD2-CE1 4.08Å; F186-F302 HydrophobicContact CE2-CD1 4.08Å; F186-F302 AromaticContact CE2-CE1 3.89Å; F186-F302 HydrophobicContact CE2-CE1 3.89Å; F186-F302 HydrophobicContact CZ-CD1 4.49Å; W299-F302 HydrophobicContact CE3-CD1 4.12Å; W299-F302 HydrophobicContact CZ3-CD1 4.46Å; W299-F302 WeakPolarHBondContact O-CB 3.44Å; W299-F302 PolarHBondContact O-N 3.09Å; W299-F302 VanDerWaalsContact O-N 3.09Å; M300-F302 VanDerWaalsContact C-N 3.32Å; M300-F302 PolarHBondContact O-N 3.47Å; F302-V304 PolarHBondContact O-N 3.39Å; F302-I305 PolarHBondContact O-N 3.43Å; F302-F306 AromaticContact CE1-CD1 3.85Å; F302-F306 HydrophobicContact CE1-CD1 3.85Å; F302-F306 HydrophobicContact CZ-CD1 4.05Å; F302-F306 VanDerWaalsContact O-CB 3.27Å; F302-F306 WeakPolarHBondContact O-CB 3.31Å; F302-F306 PolarHBondContact O-N 3.31Å
303G93.2Very high91.9Very high0 Ų046.3 Ų46.30%025%0.248CC..Hα-helixtrans-60.9-43.1177.700000112.8W299 M300 F306 A307W299-G303 PolarHBondContact O-N 2.89Å; M300-G303 PolarHBondContact O-N 3.47Å; G303-F306 PolarHBondContact O-N 2.97Å; G303-A307 WeakPolarHBondContact O-CB 3.38Å; G303-A307 PolarHBondContact O-N 2.94Å
304V93.7Very high91.8Very high4 Ų443.7 Ų43.72%0.02424%0.236CC..Hα-helixtrans-67.4-45.8177.4176.20000111.5G132 L133 I136 F292 M300 I301 F302 F306 A307 T308G132-V304 WeakPolarHBondContact O-CG2 3.31Å; L133-V304 HydrophobicContact CD2-CG1 3.63Å; L133-V304 HydrophobicContact CG-CG1 3.9Å; I136-V304 HydrophobicContact CD1-CG2 4.41Å; F292-V304 HydrophobicContact CD1-CG2 4.12Å; F292-V304 HydrophobicContact CE1-CG2 3.74Å; F292-V304 HydrophobicContact CZ-CG2 4.43Å; M300-V304 HydrophobicContact CG-CG2 4.39Å; M300-V304 VanDerWaalsContact O-CG2 3.31Å; M300-V304 WeakPolarHBondContact O-CG2 3.28Å; M300-V304 PolarHBondContact O-N 2.83Å; M300-V304 HydrophobicContact SD-CG2 4.26Å; I301-V304 PolarHBondContact O-N 3.38Å; F302-V304 PolarHBondContact O-N 3.39Å; V304-F306 VanDerWaalsContact C-N 3.31Å; V304-F306 PolarHBondContact O-N 2.71Å; V304-A307 PolarHBondContact O-N 3.48Å; V304-T308 VanDerWaalsContact O-CB 3.31Å; V304-T308 WeakPolarHBondContact O-CB 3.49Å; V304-T308 PolarHBondContact O-N 2.86Å; V304-T308 PolarHBondContact O-OG1 2.88Å
305I94.4Very high91.7Very high96 Ų9643.5 Ų43.549%0.49224%0.235SC..Hα-helixtrans-59.4-46.1176-69.9169.6000109.9I301 F302 T308 I309I301-I305 HydrophobicContact CG2-CD1 3.87Å; I301-I305 VanDerWaalsContact O-CG1 3.29Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.22Å; F302-I305 PolarHBondContact O-N 3.43Å; I305-T308 PolarHBondContact O-N 2.74Å; I305-I309 HydrophobicContact CG2-CD1 3.94Å; I305-I309 WeakPolarHBondContact O-CG1 3.32Å; I305-I309 PolarHBondContact O-N 3.46Å
306F94.7Very high91.5Very high22 Ų2243.4 Ų43.410%0.09623%0.234CC..Hα-helixtrans-69.8-42-177-160.7-174.3000112.2I179 L182 W183 F186 F302 G303 V304 T308 I309 A310I179-F306 HydrophobicContact CG2-CE2 4.09Å; L182-F306 VanDerWaalsContact C-CZ 3.47Å; L182-F306 HydrophobicContact CB-CZ 3.8Å; W183-F306 HydrophobicContact CB-CE1 4.49Å; W183-F306 HydrophobicContact CB-CE2 3.89Å; W183-F306 HydrophobicContact CB-CZ 3.81Å; W183-F306 HydrophobicContact CE3-CB 4.24Å; W183-F306 AromaticContact CE3-CD1 3.68Å; W183-F306 HydrophobicContact CE3-CD1 3.68Å; W183-F306 AromaticContact CE3-CD2 3.74Å; W183-F306 HydrophobicContact CE3-CD2 3.74Å; W183-F306 AromaticContact CE3-CE1 3.98Å; W183-F306 HydrophobicContact CE3-CE1 3.98Å; W183-F306 HydrophobicContact CE3-CE2 4.02Å; W183-F306 AromaticContact CE3-CG 3.58Å; W183-F306 HydrophobicContact CE3-CG 3.58Å; W183-F306 HydrophobicContact CE3-CZ 4.16Å; W183-F306 HydrophobicContact CZ3-CB 4.03Å; W183-F306 HydrophobicContact CZ3-CD1 4.07Å; W183-F306 HydrophobicContact CZ3-CD2 4.37Å; W183-F306 AromaticContact CZ3-CG 3.88Å; W183-F306 HydrophobicContact CZ3-CG 3.88Å; F186-F306 HydrophobicContact CB-CD1 4.11Å; F186-F306 HydrophobicContact CB-CE1 3.6Å; F186-F306 AromaticContact CD1-CD1 3.91Å; F186-F306 HydrophobicContact CD1-CD1 3.91Å; F186-F306 HydrophobicContact CD1-CE1 4.24Å; F186-F306 HydrophobicContact CD2-CD1 4.32Å; F186-F306 HydrophobicContact CD2-CE1 4.49Å; F186-F306 HydrophobicContact CE1-CD1 4.4Å; F186-F306 AromaticContact CG-CD1 3.86Å; F186-F306 HydrophobicContact CG-CD1 3.86Å; F186-F306 AromaticContact CG-CE1 3.88Å; F186-F306 HydrophobicContact CG-CE1 3.88Å; F302-F306 AromaticContact CE1-CD1 3.85Å; F302-F306 HydrophobicContact CE1-CD1 3.85Å; F302-F306 HydrophobicContact CZ-CD1 4.05Å; F302-F306 VanDerWaalsContact O-CB 3.27Å; F302-F306 WeakPolarHBondContact O-CB 3.31Å; F302-F306 PolarHBondContact O-N 3.31Å; G303-F306 PolarHBondContact O-N 2.97Å; V304-F306 VanDerWaalsContact C-N 3.31Å; V304-F306 PolarHBondContact O-N 2.71Å; F306-T308 VanDerWaalsContact C-N 3.28Å; F306-T308 PolarHBondContact O-N 3.35Å; F306-I309 PolarHBondContact O-N 2.83Å; F306-A310 WeakPolarHBondContact O-CB 3.43Å; F306-A310 PolarHBondContact O-N 3.36Å
307A95.5Very high91.2Very high0 Ų041.4 Ų41.40%022%0.222CC..Hα-helixtrans-59.5-39.6172.900000111.6L34 A129 W183 F291 F292 G303 V304 A310 A311L34-A307 HydrophobicContact CD1-CB 4.22Å; L34-A307 HydrophobicContact CD2-CB 3.8Å; A129-A307 HydrophobicContact CB-CB 4.12Å; W183-A307 HydrophobicContact CH2-CB 3.8Å; W183-A307 HydrophobicContact CZ3-CB 4.24Å; F291-A307 HydrophobicContact CE1-CB 4.42Å; F292-A307 HydrophobicContact CE1-CB 4.34Å; F292-A307 HydrophobicContact CZ-CB 4.36Å; G303-A307 WeakPolarHBondContact O-CB 3.38Å; G303-A307 PolarHBondContact O-N 2.94Å; V304-A307 PolarHBondContact O-N 3.48Å; A307-A310 PolarHBondContact O-N 3.47Å; A307-A311 VanDerWaalsContact O-CB 3.31Å; A307-A311 WeakPolarHBondContact O-CB 3.27Å; A307-A311 PolarHBondContact O-N 3.36Å
308T95.3Very high91.5Very high18 Ų1834 Ų3411%0.1118%0.182CC..Hα-helixtrans-65-43.9176.7-57.50000111I130 I157 V304 I305 F306 A311 I312I130-T308 HydrophobicContact CD1-CG2 3.86Å; I130-T308 WeakPolarHBondContact CD1-OG1 3.12Å; I157-T308 HydrophobicContact CD1-CG2 3.89Å; V304-T308 VanDerWaalsContact O-CB 3.31Å; V304-T308 WeakPolarHBondContact O-CB 3.49Å; V304-T308 PolarHBondContact O-N 2.86Å; V304-T308 PolarHBondContact O-OG1 2.88Å; I305-T308 PolarHBondContact O-N 2.74Å; F306-T308 VanDerWaalsContact C-N 3.28Å; F306-T308 PolarHBondContact O-N 3.35Å; T308-A311 PolarHBondContact O-N 2.91Å; T308-I312 HydrophobicContact CG2-CD1 4.07Å; T308-I312 VanDerWaalsContact O-CG1 3.25Å; T308-I312 WeakPolarHBondContact O-CG1 3.5Å; T308-I312 PolarHBondContact O-N 3.03Å
309I94.1Very high91.7Very high64 Ų6430.4 Ų30.433%0.32815%0.146SC..Hα-helixtrans-62.4-44.8175.6-67.4166.9000110.5I179 I305 F306 I312 I313I179-I309 HydrophobicContact CG2-CG2 3.64Å; I305-I309 HydrophobicContact CG2-CD1 3.94Å; I305-I309 WeakPolarHBondContact O-CG1 3.32Å; I305-I309 PolarHBondContact O-N 3.46Å; F306-I309 PolarHBondContact O-N 2.83Å; I309-I312 PolarHBondContact O-N 3.25Å; I309-I313 HydrophobicContact CG2-CD1 4.02Å; I309-I313 VanDerWaalsContact O-CG1 3.32Å; I309-I313 WeakPolarHBondContact O-CG1 3.44Å; I309-I313 PolarHBondContact O-N 2.79Å
310A93.9Very high91.4Very high0 Ų025.3 Ų25.30%013%0.129CC..Hα-helixtrans-61.6-43.6176.700000112T31 M180 W183 F306 A307 I312 I313 A314T31-A310 HydrophobicContact CG2-CB 4.33Å; M180-A310 HydrophobicContact SD-CB 4.33Å; W183-A310 HydrophobicContact CD2-CB 3.6Å; W183-A310 HydrophobicContact CE3-CB 4.04Å; W183-A310 HydrophobicContact CG-CB 3.88Å; W183-A310 HydrophobicContact CH2-CB 4.49Å; W183-A310 HydrophobicContact CZ2-CB 4.12Å; W183-A310 HydrophobicContact CZ3-CB 4.46Å; F306-A310 WeakPolarHBondContact O-CB 3.43Å; F306-A310 PolarHBondContact O-N 3.36Å; A307-A310 PolarHBondContact O-N 3.47Å; A310-I312 PolarHBondContact O-N 3.38Å; A310-I313 PolarHBondContact O-N 3.41Å; A310-A314 WeakPolarHBondContact O-CB 3.31Å; A310-A314 PolarHBondContact O-N 3.4Å
311A94.1Very high91.1Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-62.1-39.5175.300000112.6V126 A129 A307 T308 A314 S315V126-A311 HydrophobicContact CG2-CB 4.21Å; A129-A311 HydrophobicContact CB-CB 4.04Å; A307-A311 VanDerWaalsContact O-CB 3.31Å; A307-A311 WeakPolarHBondContact O-CB 3.27Å; A307-A311 PolarHBondContact O-N 3.36Å; T308-A311 PolarHBondContact O-N 2.91Å; A311-A314 PolarHBondContact O-N 3.34Å; A311-S315 VanDerWaalsContact O-CB 3.27Å; A311-S315 WeakPolarHBondContact O-CB 3.42Å; A311-S315 PolarHBondContact O-N 3.29Å; A311-S315 PolarHBondContact O-OG 3.25Å
312I93.1Very high91Very high51 Ų5120.3 Ų20.326%0.26211%0.106SC..Hα-helixtrans-62.3-45.5173.3-69.8165000110.1I157 L161 T308 I309 A310 S315 Q316I157-I312 HydrophobicContact CG2-CD1 3.91Å; I157-I312 HydrophobicContact CG2-CG1 3.8Å; L161-I312 HydrophobicContact CD1-CB 4.37Å; L161-I312 HydrophobicContact CD1-CG1 4.38Å; L161-I312 HydrophobicContact CD1-CG2 4.07Å; T308-I312 HydrophobicContact CG2-CD1 4.07Å; T308-I312 VanDerWaalsContact O-CG1 3.25Å; T308-I312 WeakPolarHBondContact O-CG1 3.5Å; T308-I312 PolarHBondContact O-N 3.03Å; I309-I312 PolarHBondContact O-N 3.25Å; A310-I312 PolarHBondContact O-N 3.38Å; I312-S315 PolarHBondContact O-N 3.01Å; I312-Q316 HydrophobicContact CG2-CG 4.28Å; I312-Q316 WeakPolarHBondContact O-CB 3.27Å; I312-Q316 WeakPolarHBondContact O-CG 3.5Å; I312-Q316 PolarHBondContact O-N 3.4Å
313I90Very high90.8Very high4 Ų415.4 Ų15.42%0.0219%0.085CC..Hα-helixtrans-64.5-44.4179.1-64.5170.7000111.3G23 F176 I179 M180 I309 A310 S315 Q316 A317G23-I313 WeakPolarHBondContact O-CG2 3.28Å; F176-I313 HydrophobicContact CB-CG2 3.99Å; F176-I313 HydrophobicContact CD1-CB 4.44Å; F176-I313 HydrophobicContact CD1-CD1 3.97Å; F176-I313 HydrophobicContact CD1-CG1 3.61Å; F176-I313 HydrophobicContact CD1-CG2 4.15Å; F176-I313 HydrophobicContact CD2-CG2 4.09Å; F176-I313 HydrophobicContact CE1-CG1 3.76Å; F176-I313 HydrophobicContact CG-CG1 4.21Å; F176-I313 HydrophobicContact CG-CG2 3.85Å; I179-I313 HydrophobicContact CB-CD1 3.85Å; I179-I313 HydrophobicContact CD1-CD1 4.37Å; I179-I313 HydrophobicContact CG2-CD1 3.49Å; I179-I313 VanDerWaalsContact CG2-CD1 3.49Å; M180-I313 HydrophobicContact CG-CB 4.45Å; M180-I313 HydrophobicContact CG-CD1 4.19Å; M180-I313 HydrophobicContact CG-CG2 3.74Å; M180-I313 HydrophobicContact SD-CB 4.22Å; M180-I313 HydrophobicContact SD-CD1 4.27Å; M180-I313 HydrophobicContact SD-CG2 4.05Å; I309-I313 HydrophobicContact CG2-CD1 4.02Å; I309-I313 VanDerWaalsContact O-CG1 3.32Å; I309-I313 WeakPolarHBondContact O-CG1 3.44Å; I309-I313 PolarHBondContact O-N 2.79Å; A310-I313 PolarHBondContact O-N 3.41Å; I313-S315 PolarHBondContact O-N 3.41Å; I313-Q316 WeakPolarHBondContact O-CB 3.28Å; I313-Q316 PolarHBondContact O-N 2.68Å; I313-A317 PolarHBondContact O-N 2.89Å
314A89.3Confident90.3Very high0 Ų016.1 Ų16.10%09%0.089CC..Hα-helixtrans-57.1-48.2175.300000112.1G27 T31 A310 A311 Q316 A317 L318G27-A314 VanDerWaalsContact C-CB 3.42Å; G27-A314 WeakPolarHBondContact O-CB 3.4Å; T31-A314 HydrophobicContact CG2-CB 3.67Å; A310-A314 WeakPolarHBondContact O-CB 3.31Å; A310-A314 PolarHBondContact O-N 3.4Å; A311-A314 PolarHBondContact O-N 3.34Å; A314-Q316 VanDerWaalsContact C-N 3.32Å; A314-Q316 PolarHBondContact O-N 3.45Å; A314-A317 PolarHBondContact O-N 3.27Å; A314-L318 PolarHBondContact O-N 3.13Å; A314-L318 VanDerWaalsContact O-N 3.14Å
315S91.5Very high90.1Very high0 Ų016.3 Ų16.30%09%0.09CC..Hα-helixtrans-60.5-41176.9-62.10000112.2P122 L161 A311 I312 I313 L318 I319P122-S315 VanDerWaalsContact CA-OG 3.24Å; P122-S315 WeakPolarHBondContact CA-OG 3.06Å; P122-S315 WeakPolarHBondContact CB-OG 3.43Å; L161-S315 VanDerWaalsContact CD1-CB 3.48Å; A311-S315 VanDerWaalsContact O-CB 3.27Å; A311-S315 WeakPolarHBondContact O-CB 3.42Å; A311-S315 PolarHBondContact O-N 3.29Å; A311-S315 PolarHBondContact O-OG 3.25Å; I312-S315 PolarHBondContact O-N 3.01Å; I313-S315 PolarHBondContact O-N 3.41Å; S315-L318 PolarHBondContact O-N 2.92Å; S315-I319 WeakPolarHBondContact O-CB 3.48Å; S315-I319 WeakPolarHBondContact O-CD1 3.11Å; S315-I319 VanDerWaalsContact O-CG1 3.24Å; S315-I319 WeakPolarHBondContact O-CG1 3.34Å; S315-I319 PolarHBondContact O-N 3.34Å
316Q88.9Confident89.9Confident10 Ų1011.9 Ų11.95%0.0477%0.067CC..Hα-helixtrans-63.8-44178.4-72.9-81.2-1600112.5L161 F176 I312 I313 A314 S320L161-Q316 HydrophobicContact CD2-CG 4.43Å; L161-Q316 HydrophobicContact CG-CG 4.34Å; L161-Q316 PolarHBondContact O-NE2 3.45Å; F176-Q316 HydrophobicContact CE2-CB 3.85Å; F176-Q316 HydrophobicContact CE2-CG 4.39Å; F176-Q316 HydrophobicContact CZ-CB 3.87Å; F176-Q316 HydrophobicContact CZ-CG 3.9Å; I312-Q316 HydrophobicContact CG2-CG 4.28Å; I312-Q316 WeakPolarHBondContact O-CB 3.27Å; I312-Q316 WeakPolarHBondContact O-CG 3.5Å; I312-Q316 PolarHBondContact O-N 3.4Å; I313-Q316 WeakPolarHBondContact O-CB 3.28Å; I313-Q316 PolarHBondContact O-N 2.68Å; A314-Q316 VanDerWaalsContact C-N 3.32Å; A314-Q316 PolarHBondContact O-N 3.45Å; Q316-S320 WeakPolarHBondContact O-CB 3.3Å; Q316-S320 PolarHBondContact O-N 3.06Å; Q316-S320 PolarHBondContact O-OG 3.16Å
317A83.3Confident89.5Confident10 Ų1011.3 Ų11.38%0.0837%0.066CC..Hα-helixtrans-57.7-49.9175.400000110.9V24 I313 A314 I319 S320 G321V24-A317 WeakPolarHBondContact O-CB 3.37Å; I313-A317 PolarHBondContact O-N 2.89Å; A314-A317 PolarHBondContact O-N 3.27Å; A317-I319 PolarHBondContact O-N 2.98Å; A317-S320 WeakPolarHBondContact O-CB 3.32Å; A317-S320 PolarHBondContact O-N 2.9Å; A317-G321 PolarHBondContact O-N 3.48Å
318L87Confident89.1Confident12 Ų1211.9 Ų11.96%0.0637%0.069CC..Hα-helixtrans-69.6-36.4-177-165.473.8000113.6D117 G118 T121 A314 S315 S320 G321 S322D117-L318 WeakPolarHBondContact O-CD2 3.34Å; G118-L318 VanDerWaalsContact CA-CD2 3.48Å; T121-L318 HydrophobicContact CG2-CD2 3.98Å; T121-L318 WeakPolarHBondContact OG1-CD2 3.48Å; A314-L318 PolarHBondContact O-N 3.13Å; A314-L318 VanDerWaalsContact O-N 3.14Å; S315-L318 PolarHBondContact O-N 2.92Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 2.87Å; L318-G321 PolarHBondContact O-N 3.26Å; L318-S322 WeakPolarHBondContact O-CB 3.16Å; L318-S322 PolarHBondContact O-N 2.84Å; L318-S322 PolarHBondContact O-OG 2.87Å
319I89.2Confident88.9Confident0 Ų011 Ų110%06%0.064CC..Hα-helixtrans-62.7-42.1173.6-71.5160.7000110.3P122 L161 F162 Q165 S315 A317 S322 F323 L359P122-I319 HydrophobicContact CG-CD1 4.27Å; P122-I319 HydrophobicContact CG-CG1 4.41Å; L161-I319 HydrophobicContact CD2-CD1 3.16Å; F162-I319 HydrophobicContact CD1-CD1 4.16Å; F162-I319 HydrophobicContact CE1-CD1 3.53Å; F162-I319 HydrophobicContact CE1-CG1 3.94Å; F162-I319 HydrophobicContact CE1-CG2 4.46Å; F162-I319 HydrophobicContact CE2-CD1 4.22Å; F162-I319 HydrophobicContact CZ-CD1 3.58Å; F162-I319 HydrophobicContact CZ-CG1 4.13Å; Q165-I319 HydrophobicContact CG-CG2 4.28Å; S315-I319 WeakPolarHBondContact O-CB 3.48Å; S315-I319 WeakPolarHBondContact O-CD1 3.11Å; S315-I319 VanDerWaalsContact O-CG1 3.24Å; S315-I319 WeakPolarHBondContact O-CG1 3.34Å; S315-I319 PolarHBondContact O-N 3.34Å; A317-I319 PolarHBondContact O-N 2.98Å; I319-S322 WeakPolarHBondContact O-CB 3.5Å; I319-S322 PolarHBondContact O-N 3.36Å; I319-F323 HydrophobicContact CG2-CE1 4.31Å; I319-F323 HydrophobicContact CG2-CE2 3.75Å; I319-F323 HydrophobicContact CG2-CZ 3.59Å; I319-F323 WeakPolarHBondContact O-CD2 3.39Å; I319-F323 WeakPolarHBondContact O-CG 3.43Å; I319-F323 PolarHBondContact O-N 3.1Å; I319-F323 VanDerWaalsContact O-N 3.16Å; I319-L359 HydrophobicContact CG1-CD1 4.45Å; I319-L359 HydrophobicContact CG2-CD1 4.33Å
320S83.9Confident88.6Confident19 Ų199.2 Ų9.213%0.1335%0.054CC..Hα-helixtrans-64.2-43.6175.1-570000111.7T169 Q316 A317 L318 S322 F323 T324T169-S320 WeakPolarHBondContact CG2-OG 3.26Å; Q316-S320 WeakPolarHBondContact O-CB 3.3Å; Q316-S320 PolarHBondContact O-N 3.06Å; Q316-S320 PolarHBondContact O-OG 3.16Å; A317-S320 WeakPolarHBondContact O-CB 3.32Å; A317-S320 PolarHBondContact O-N 2.9Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 2.87Å; S320-S322 VanDerWaalsContact C-N 3.3Å; S320-S322 PolarHBondContact O-N 3.32Å; S320-F323 WeakPolarHBondContact O-CB 3.13Å; S320-F323 PolarHBondContact O-N 3.34Å; S320-T324 PolarHBondContact O-N 2.94Å; S320-T324 VanDerWaalsContact O-N 3.16Å; S320-T324 PolarHBondContact O-OG1 3.15Å
321G83.4Confident88.2Confident9 Ų915.1 Ų15.19%0.0938%0.08CC..Hα-helixtrans-60.3-38.217400000112.7A317 L318 F323 T324 L325A317-G321 PolarHBondContact O-N 3.48Å; L318-G321 PolarHBondContact O-N 3.26Å; G321-F323 VanDerWaalsContact C-N 3.33Å; G321-F323 PolarHBondContact O-N 3.22Å; G321-T324 WeakPolarHBondContact O-CB 3.21Å; G321-T324 PolarHBondContact O-N 3.29Å; G321-L325 WeakPolarHBondContact O-CB 3.46Å; G321-L325 PolarHBondContact O-N 3.48Å
322S89.6Confident87.8Confident3 Ų316.6 Ų16.62%0.0219%0.088CC..Hα-helixtrans-62.6-38.7175.3-620000111.9L318 I319 S320 L325 V326L318-S322 WeakPolarHBondContact O-CB 3.16Å; L318-S322 PolarHBondContact O-N 2.84Å; L318-S322 PolarHBondContact O-OG 2.87Å; I319-S322 WeakPolarHBondContact O-CB 3.5Å; I319-S322 PolarHBondContact O-N 3.36Å; S320-S322 VanDerWaalsContact C-N 3.3Å; S320-S322 PolarHBondContact O-N 3.32Å; S322-L325 PolarHBondContact O-N 3.24Å; S322-V326 WeakPolarHBondContact O-CB 3.32Å; S322-V326 VanDerWaalsContact O-CG2 3.3Å; S322-V326 WeakPolarHBondContact O-CG2 3.48Å; S322-V326 PolarHBondContact O-N 3.14Å
323F88.6Confident87.5Confident1 Ų119 Ų190%0.00410%0.097CC..Hα-helixtrans-64-46.7173.7-58-36.6000111.6I319 S320 G321 L325 V326 S327 M350 Y351 I352 I355 N356 L359I319-F323 HydrophobicContact CG2-CE1 4.31Å; I319-F323 HydrophobicContact CG2-CE2 3.75Å; I319-F323 HydrophobicContact CG2-CZ 3.59Å; I319-F323 WeakPolarHBondContact O-CD2 3.39Å; I319-F323 WeakPolarHBondContact O-CG 3.43Å; I319-F323 PolarHBondContact O-N 3.1Å; I319-F323 VanDerWaalsContact O-N 3.16Å; S320-F323 WeakPolarHBondContact O-CB 3.13Å; S320-F323 PolarHBondContact O-N 3.34Å; G321-F323 VanDerWaalsContact C-N 3.33Å; G321-F323 PolarHBondContact O-N 3.22Å; F323-L325 VanDerWaalsContact C-N 3.34Å; F323-L325 PolarHBondContact O-N 3.16Å; F323-V326 PolarHBondContact O-N 3.42Å; F323-S327 PolarHBondContact O-N 3.27Å; F323-M350 HydrophobicContact CB-CB 4.25Å; F323-M350 HydrophobicContact CB-CG 3.69Å; F323-M350 HydrophobicContact CB-SD 3.73Å; F323-M350 WeakPolarHBondContact CD2-O 3.44Å; F323-Y351 HydrophobicContact CE2-CD2 4.14Å; F323-Y351 HydrophobicContact CZ-CD2 4.18Å; F323-I352 HydrophobicContact CB-CD1 4.33Å; F323-I352 HydrophobicContact CB-CG1 4.28Å; F323-I352 HydrophobicContact CD1-CB 3.99Å; F323-I352 HydrophobicContact CD1-CG1 4.27Å; F323-I352 HydrophobicContact CE1-CB 4.42Å; F323-I352 HydrophobicContact CG-CG1 4.46Å; F323-I355 HydrophobicContact CD1-CB 4.03Å; F323-I355 HydrophobicContact CD1-CG2 3.79Å; F323-I355 HydrophobicContact CE1-CB 3.96Å; F323-I355 HydrophobicContact CE1-CG2 3.8Å; F323-N356 HydrophobicContact CE1-CB 4.17Å; F323-N356 HydrophobicContact CZ-CB 3.96Å; F323-L359 HydrophobicContact CE1-CD1 4.5Å
324T83.6Confident87.6Confident16 Ų1618.9 Ų18.910%0.09810%0.096CC..Hα-helixtrans-54.6-51175.5-56.40000110.6S320 G321 V326 S327 E328S320-T324 PolarHBondContact O-N 2.94Å; S320-T324 VanDerWaalsContact O-N 3.16Å; S320-T324 PolarHBondContact O-OG1 3.15Å; G321-T324 WeakPolarHBondContact O-CB 3.21Å; G321-T324 PolarHBondContact O-N 3.29Å; T324-V326 PolarHBondContact O-N 3.07Å; T324-S327 WeakPolarHBondContact O-CB 3.37Å; T324-S327 PolarHBondContact O-N 2.84Å; T324-S327 PolarHBondContact O-OG 2.61Å; T324-E328 WeakPolarHBondContact O-CG 3.24Å; T324-E328 PolarHBondContact O-N 3.24Å
325L88.4Confident87.6Confident8 Ų819.7 Ų19.74%0.04210%0.1CC..Hα-helixtrans-60.1-42179.9-17270.4000112.7I89 F90 L114 L115 G321 S322 F323 S327 E328 A329I89-L325 HydrophobicContact CG2-CD1 3.97Å; F90-L325 HydrophobicContact CD2-CD1 3.41Å; F90-L325 VanDerWaalsContact CD2-CD1 3.41Å; F90-L325 HydrophobicContact CD2-CG 4.02Å; F90-L325 HydrophobicContact CE2-CD1 3.67Å; F90-L325 HydrophobicContact CE2-CG 3.89Å; F90-L325 HydrophobicContact CG-CD1 4.44Å; L114-L325 HydrophobicContact CB-CD2 3.86Å; L114-L325 HydrophobicContact CD2-CD1 4.16Å; L114-L325 HydrophobicContact CD2-CD2 3.78Å; L114-L325 HydrophobicContact CG-CD2 3.73Å; L115-L325 HydrophobicContact CD2-CB 4.29Å; L115-L325 HydrophobicContact CD2-CD2 3.66Å; L115-L325 HydrophobicContact CD2-CG 4.23Å; L115-L325 HydrophobicContact CG-CD2 3.57Å; L115-L325 HydrophobicContact CG-CG 4.33Å; G321-L325 WeakPolarHBondContact O-CB 3.46Å; G321-L325 PolarHBondContact O-N 3.48Å; S322-L325 PolarHBondContact O-N 3.24Å; F323-L325 VanDerWaalsContact C-N 3.34Å; F323-L325 PolarHBondContact O-N 3.16Å; L325-S327 VanDerWaalsContact C-N 3.34Å; L325-E328 PolarHBondContact O-N 3.3Å; L325-A329 WeakPolarHBondContact O-CB 3.08Å; L325-A329 PolarHBondContact O-N 2.86Å
326V91.6Very high87.3Confident2 Ų220.4 Ų20.41%0.01210%0.104CC..Hα-helixtrans-63-41.2173.9167.20000111.1L115 S322 F323 T324 A329 I330 L335 M338 I352 I355L115-V326 HydrophobicContact CD1-CG2 4.19Å; L115-V326 HydrophobicContact CD2-CG2 3.71Å; S322-V326 WeakPolarHBondContact O-CB 3.32Å; S322-V326 VanDerWaalsContact O-CG2 3.3Å; S322-V326 WeakPolarHBondContact O-CG2 3.48Å; S322-V326 PolarHBondContact O-N 3.14Å; F323-V326 PolarHBondContact O-N 3.42Å; T324-V326 PolarHBondContact O-N 3.07Å; V326-A329 WeakPolarHBondContact O-CB 3.48Å; V326-A329 PolarHBondContact O-N 3.18Å; V326-I330 HydrophobicContact CG1-CD1 3.95Å; V326-I330 HydrophobicContact CG1-CG1 4.38Å; V326-I330 VanDerWaalsContact O-CG1 3.28Å; V326-I330 WeakPolarHBondContact O-CG1 3.27Å; V326-I330 PolarHBondContact O-N 2.99Å; V326-L335 HydrophobicContact CB-CD1 4.38Å; V326-L335 HydrophobicContact CG1-CD1 3.98Å; V326-L335 HydrophobicContact CG2-CD1 4.19Å; V326-M338 HydrophobicContact CG1-CE 3.25Å; V326-I352 HydrophobicContact CB-CD1 4.06Å; V326-I352 HydrophobicContact CG1-CD1 3.7Å; V326-I355 HydrophobicContact CB-CG1 4.44Å; V326-I355 HydrophobicContact CG1-CD1 4.18Å; V326-I355 HydrophobicContact CG1-CG1 4Å; V326-I355 HydrophobicContact CG2-CD1 3.93Å; V326-I355 HydrophobicContact CG2-CG1 4.05Å; V326-I355 HydrophobicContact CG2-CG2 4.38Å
327S86Confident86.9Confident11 Ų1127.9 Ų27.98%0.07713%0.132CC..Hα-helixtrans-66.6-39.2179.580.10000112.9F323 T324 L325 A329 I330 K331 M350F323-S327 PolarHBondContact O-N 3.27Å; T324-S327 WeakPolarHBondContact O-CB 3.37Å; T324-S327 PolarHBondContact O-N 2.84Å; T324-S327 PolarHBondContact O-OG 2.61Å; L325-S327 VanDerWaalsContact C-N 3.34Å; S327-A329 VanDerWaalsContact C-N 3.34Å; S327-I330 PolarHBondContact O-N 3.17Å; S327-K331 WeakPolarHBondContact O-CG 3.33Å; S327-K331 PolarHBondContact O-N 2.86Å; S327-M350 WeakPolarHBondContact CB-SD 3.47Å; S327-M350 WeakPolarHBondContact OG-CE 2.97Å
328E86Confident86.8Confident12 Ų1228.5 Ų28.56%0.05613%0.134CC..Hα-helixtrans-61.9-44.2172.5-68.8-176.9163.700110.5F90 S91 T324 L325 I330 K331 L332F90-E328 HydrophobicContact CB-CB 3.84Å; F90-E328 WeakPolarHBondContact CB-OE2 3.31Å; F90-E328 HydrophobicContact CD2-CB 4.23Å; F90-E328 HydrophobicContact CG-CB 4.46Å; S91-E328 PolarHBondContact OG-OE1 2.97Å; T324-E328 WeakPolarHBondContact O-CG 3.24Å; T324-E328 PolarHBondContact O-N 3.24Å; L325-E328 PolarHBondContact O-N 3.3Å; E328-I330 VanDerWaalsContact C-N 3.34Å; E328-I330 PolarHBondContact O-N 3.35Å; E328-K331 WeakPolarHBondContact O-CB 3.29Å; E328-K331 PolarHBondContact O-N 3.35Å; E328-L332 WeakPolarHBondContact O-CG 3.32Å; E328-L332 PolarHBondContact O-N 2.76Å
329A91.6Very high86.5Confident0 Ų035.2 Ų35.20%016%0.158CC..Hα-helixtrans-62.1-37.8175.500000112.7F90 L325 V326 S327 L332 K333 L334 L335 M449F90-A329 HydrophobicContact CD2-CB 4.07Å; F90-A329 HydrophobicContact CE2-CB 3.66Å; F90-A329 HydrophobicContact CZ-CB 4.06Å; L325-A329 WeakPolarHBondContact O-CB 3.08Å; L325-A329 PolarHBondContact O-N 2.86Å; V326-A329 WeakPolarHBondContact O-CB 3.48Å; V326-A329 PolarHBondContact O-N 3.18Å; S327-A329 VanDerWaalsContact C-N 3.34Å; A329-L332 CarbonylContact O-C 3.58Å; A329-L332 PolarHBondContact O-N 2.98Å; A329-K333 PolarHBondContact O-N 3.09Å; A329-L334 HydrophobicContact CB-CB 4.27Å; A329-L334 WeakPolarHBondContact O-CB 3.11Å; A329-L334 PolarHBondContact O-N 2.97Å; A329-L335 HydrophobicContact CB-CB 4.47Å; A329-L335 HydrophobicContact CB-CD1 3.75Å; A329-L335 HydrophobicContact CB-CG 3.97Å; A329-M449 HydrophobicContact CB-CE 4.3Å
330I88.5Confident86.2Confident26 Ų2637.2 Ų37.213%0.13317%0.168CC..Hα-helixtrans-64.4-44.8173.2-67.5168.2000110.5V326 S327 E328 L332 K333 L335 P336 R337 M338 I340V326-I330 HydrophobicContact CG1-CD1 3.95Å; V326-I330 HydrophobicContact CG1-CG1 4.38Å; V326-I330 VanDerWaalsContact O-CG1 3.28Å; V326-I330 WeakPolarHBondContact O-CG1 3.27Å; V326-I330 PolarHBondContact O-N 2.99Å; S327-I330 PolarHBondContact O-N 3.17Å; E328-I330 VanDerWaalsContact C-N 3.34Å; E328-I330 PolarHBondContact O-N 3.35Å; I330-L332 PolarHBondContact O-N 2.88Å; I330-K333 WeakPolarHBondContact O-CA 3.1Å; I330-K333 PolarHBondContact O-N 2.99Å; I330-L335 HydrophobicContact CG1-CB 3.95Å; I330-P336 WeakPolarHBondContact CG1-O 3.47Å; I330-R337 HydrophobicContact CG2-CG 4.24Å; I330-M338 HydrophobicContact CD1-CB 4.25Å; I330-M338 HydrophobicContact CD1-CE 3.77Å; I330-M338 HydrophobicContact CG1-CE 4.36Å; I330-I340 HydrophobicContact CD1-CD1 4.37Å
331K84.1Confident86.1Confident124 Ų12439 Ų3954%0.53918%0.176SC..Hα-helixtrans-58.8-36.6176-72.3179.2-178-178.40111.3S327 E328 K333S327-K331 WeakPolarHBondContact O-CG 3.33Å; S327-K331 PolarHBondContact O-N 2.86Å; E328-K331 WeakPolarHBondContact O-CB 3.29Å; E328-K331 PolarHBondContact O-N 3.35Å; K331-K333 PolarHBondContact O-N 2.96Å
332L86.5Confident85.9Confident31 Ų3140.6 Ų40.616%0.16218%0.18CC..THydrogen-bonded Turntrans-79.95.8174.5-66.8177.1000114.7F90 Y93 E328 A329 I330 L334F90-L332 HydrophobicContact CB-CD1 3.67Å; F90-L332 HydrophobicContact CD1-CD1 3.68Å; F90-L332 HydrophobicContact CG-CD1 3.91Å; Y93-L332 HydrophobicContact CD1-CD1 3.7Å; Y93-L332 HydrophobicContact CD1-CD2 4.11Å; Y93-L332 HydrophobicContact CE1-CD1 4.24Å; Y93-L332 HydrophobicContact CE1-CD2 4.11Å; E328-L332 WeakPolarHBondContact O-CG 3.32Å; E328-L332 PolarHBondContact O-N 2.76Å; A329-L332 CarbonylContact O-C 3.58Å; A329-L332 PolarHBondContact O-N 2.98Å; I330-L332 PolarHBondContact O-N 2.88Å; L332-L334 HydrophobicContact CB-CD1 3.97Å; L332-L334 HydrophobicContact CB-CG 3.91Å; L332-L334 HydrophobicContact CD1-CD1 4.19Å; L332-L334 PolarHBondContact O-N 3.42Å
333K87.6Confident85.2Confident102 Ų10242.7 Ų42.744%0.44319%0.193SC..THydrogen-bonded Turntrans58.328.1-176.5-48.4-177.1-174.91770114.1A329 I330 K331 N456 E460A329-K333 PolarHBondContact O-N 3.09Å; I330-K333 WeakPolarHBondContact O-CA 3.1Å; I330-K333 PolarHBondContact O-N 2.99Å; K331-K333 PolarHBondContact O-N 2.96Å; K333-N456 WeakPolarHBondContact CB-ND2 3.28Å; K333-N456 PolarHBondContact O-ND2 2.87Å; K333-E460 IonicContact NZ-OE1 2.72Å; K333-E460 PolarHBondContact NZ-OE1 3.36Å
334L90.4Very high84.3Confident0 Ų042.7 Ų42.70%019%0.193CC..SBendtrans-91.4-21.4178.2-56.8174.5000112.8F90 I104 M108 A329 L332 M449 W452 H453F90-L334 HydrophobicContact CD1-CD1 3.95Å; F90-L334 HydrophobicContact CE1-CD1 3.44Å; F90-L334 VanDerWaalsContact CE1-CD1 3.44Å; F90-L334 HydrophobicContact CZ-CD1 4.07Å; I104-L334 HydrophobicContact CD1-CD1 3.94Å; I104-L334 HydrophobicContact CD1-CD2 3.82Å; I104-L334 HydrophobicContact CD1-CG 4.41Å; I104-L334 HydrophobicContact CG1-CD2 4.14Å; M108-L334 HydrophobicContact CG-CD1 4.16Å; M108-L334 HydrophobicContact CG-CD2 4.18Å; M108-L334 HydrophobicContact SD-CD2 4.02Å; A329-L334 HydrophobicContact CB-CB 4.27Å; A329-L334 WeakPolarHBondContact O-CB 3.11Å; A329-L334 PolarHBondContact O-N 2.97Å; L332-L334 HydrophobicContact CB-CD1 3.97Å; L332-L334 HydrophobicContact CB-CG 3.91Å; L332-L334 HydrophobicContact CD1-CD1 4.19Å; L332-L334 PolarHBondContact O-N 3.42Å; L334-M449 HydrophobicContact CB-CG 4.44Å; L334-M449 VanDerWaalsContact O-CA 3.31Å; L334-M449 WeakPolarHBondContact O-CA 3.46Å; L334-W452 WeakPolarHBondContact O-CB 3.31Å; L334-H453 HydrophobicContact CD2-CB 3.96Å
335L91.1Very high83.3Confident18 Ų1849.6 Ų49.69%0.09422%0.222CC..SBendtrans-126.3158.5178.9-72.9179.9000111.5V326 A329 I330 V448 M449V326-L335 HydrophobicContact CB-CD1 4.38Å; V326-L335 HydrophobicContact CG1-CD1 3.98Å; V326-L335 HydrophobicContact CG2-CD1 4.19Å; A329-L335 HydrophobicContact CB-CB 4.47Å; A329-L335 HydrophobicContact CB-CD1 3.75Å; A329-L335 HydrophobicContact CB-CG 3.97Å; I330-L335 HydrophobicContact CG1-CB 3.95Å; L335-V448 HydrophobicContact CD2-CG1 3.9Å; L335-M449 HydrophobicContact CD1-CE 4.15Å; L335-M449 HydrophobicContact CD2-CE 4.39Å; L335-M449 HydrophobicContact CD2-CG 3.82Å; L335-M449 HydrophobicContact CG-CE 4.28Å; L335-M449 HydrophobicContact CG-CG 4.31Å
336P84.8Confident82.1Confident14 Ų1451.3 Ų51.39%0.09123%0.234CC..  trans-54.9143.7169.618.2-28.7000111.3I330 M338 W452 T631I330-P336 WeakPolarHBondContact CG1-O 3.47Å; P336-M338 PolarHBondContact O-N 3.47Å; P336-W452 HydrophobicContact CB-CH2 4.09Å; P336-W452 HydrophobicContact CB-CZ2 3.45Å; P336-W452 VanDerWaalsContact CB-CZ2 3.45Å; P336-W452 HydrophobicContact CG-CH2 4.13Å; P336-W452 HydrophobicContact CG-CZ2 3.91Å; P336-T631 HydrophobicContact CB-CG2 4.03Å; P336-T631 HydrophobicContact CG-CG2 4.49Å
337R80.5Confident80.5Confident167 Ų16753.7 Ų53.763%0.6325%0.246SC*.  trans-60.5126.5166.5-65.7-175.9179.7-176-1.5108.4I330I330-R337 HydrophobicContact CG2-CG 4.24Å
338M81.4Confident79.1Confident23 Ų2353.9 Ų53.911%0.11325%0.25CS..  trans-125.7154.5-179.6-72.5179-7400109.7V326 I330 P336 I340 I352 A354 I355 W637V326-M338 HydrophobicContact CG1-CE 3.25Å; I330-M338 HydrophobicContact CD1-CB 4.25Å; I330-M338 HydrophobicContact CD1-CE 3.77Å; I330-M338 HydrophobicContact CG1-CE 4.36Å; P336-M338 PolarHBondContact O-N 3.47Å; M338-I340 PolarHBondContact O-N 2.87Å; M338-I340 VanDerWaalsContact O-N 3.09Å; M338-I352 HydrophobicContact CB-CG2 4.09Å; M338-I352 HydrophobicContact SD-CG2 4.46Å; M338-A354 HydrophobicContact SD-CB 4.3Å; M338-I355 HydrophobicContact CE-CD1 3.88Å; M338-I355 HydrophobicContact CE-CG1 4.11Å; M338-I355 HydrophobicContact SD-CD1 3.93Å; M338-I355 HydrophobicContact SD-CG1 4.13Å; M338-W637 WeakPolarHBondContact O-CH2 3.1Å; M338-W637 WeakPolarHBondContact O-CZ3 3.36Å
339R80.4Confident78.3Confident154 Ų15454.2 Ų54.258%0.58125%0.252SS*.  trans-65110.6177.4-172.4-179.4-179.5-175.91.7109.8I341 P353 W637R339-I341 HydrophobicContact CG-CG1 4.2Å; R339-P353 VanDerWaalsContact O-CD 3.29Å; R339-P353 WeakPolarHBondContact O-CD 3.2Å; R339-W637 HydrophobicContact CB-CZ3 4.44Å
340I82Confident77.8Confident41 Ų4154.9 Ų54.921%0.2126%0.255CS..  trans-99.8126.9173.4-62.5162.7000107.3I330 M338 Y342 M350 I352I330-I340 HydrophobicContact CD1-CD1 4.37Å; M338-I340 PolarHBondContact O-N 2.87Å; M338-I340 VanDerWaalsContact O-N 3.09Å; I340-Y342 HydrophobicContact CB-CE2 4.4Å; I340-Y342 HydrophobicContact CG2-CD2 4.2Å; I340-Y342 HydrophobicContact CG2-CE1 4Å; I340-Y342 HydrophobicContact CG2-CE2 3.55Å; I340-Y342 VanDerWaalsContact CG2-CZ 3.44Å; I340-M350 HydrophobicContact CD1-CE 4.2Å; I340-M350 HydrophobicContact CG1-CE 4.4Å; I340-M350 HydrophobicContact CG2-CE 3.48Å; I340-M350 VanDerWaalsContact CG2-CE 3.48Å; I340-M350 HydrophobicContact CG2-CG 3.9Å; I340-M350 HydrophobicContact CG2-SD 4.19Å; I340-I352 HydrophobicContact CG1-CD1 4.06Å; I340-I352 HydrophobicContact CG1-CG1 4.01Å
341I82.1Confident77.7Confident58 Ų5855.1 Ų55.130%0.29725%0.254SS..BIsolated β-bridgetrans-114.5142.5176.2-56.1173.7000107.1R339 P343 Y351 P353R339-I341 HydrophobicContact CG-CG1 4.2Å; I341-P343 HydrophobicContact CG2-CG 4.34Å; I341-P343 WeakPolarHBondContact O-CD 3.3Å; I341-Y351 HydrophobicContact CB-CD1 4.37Å; I341-Y351 HydrophobicContact CD1-CD1 4.23Å; I341-Y351 PolarHBondContact N-O 2.91Å; I341-Y351 PolarHBondContact O-N 3.11Å; I341-P353 HydrophobicContact CD1-CG 3.94Å
342Y80Confident78Confident42 Ų4249.2 Ų49.217%0.16523%0.229CC..  trans-117.579.2178.7-61.9-86.5000111.2I340 G344 I347 Q349 M350 F557 R558I340-Y342 HydrophobicContact CB-CE2 4.4Å; I340-Y342 HydrophobicContact CG2-CD2 4.2Å; I340-Y342 HydrophobicContact CG2-CE1 4Å; I340-Y342 HydrophobicContact CG2-CE2 3.55Å; I340-Y342 VanDerWaalsContact CG2-CZ 3.44Å; Y342-G344 PolarHBondContact O-N 3.23Å; Y342-I347 HydrophobicContact CE1-CG2 4.19Å; Y342-I347 WeakPolarHBondContact CE1-O 3.41Å; Y342-Q349 WeakPolarHBondContact CA-O 3.5Å; Y342-M350 HydrophobicContact CE1-CE 4.02Å; Y342-F557 AromaticContact CD1-CD2 3.68Å; Y342-F557 HydrophobicContact CD1-CD2 3.68Å; Y342-F557 AromaticContact CD1-CE2 3.97Å; Y342-F557 HydrophobicContact CD1-CE2 3.97Å; Y342-F557 HydrophobicContact CD2-CB 4.42Å; Y342-F557 AromaticContact CD2-CD2 3.71Å; Y342-F557 HydrophobicContact CD2-CD2 3.71Å; Y342-F557 WeakPolarHBondContact CD2-O 3.35Å; Y342-F557 AromaticContact CE1-CD2 3.88Å; Y342-F557 HydrophobicContact CE1-CD2 3.88Å; Y342-F557 HydrophobicContact CE1-CE2 4.45Å; Y342-F557 HydrophobicContact CE2-CB 3.91Å; Y342-F557 AromaticContact CE2-CD2 3.92Å; Y342-F557 HydrophobicContact CE2-CD2 3.92Å; Y342-F557 HydrophobicContact CE2-CG 4.4Å; Y342-F557 VanDerWaalsContact CE2-O 3.24Å; Y342-F557 WeakPolarHBondContact CE2-O 3.18Å; Y342-F557 AromaticContact CG-CD2 3.57Å; Y342-F557 HydrophobicContact CG-CD2 3.57Å; Y342-F557 HydrophobicContact CG-CE2 4.02Å; Y342-F557 AromaticContact CZ-CD2 3.99Å; Y342-R558 PolarHBondContact O-NH2 3.24Å
343P74.1Confident78.1Confident46 Ų4649.5 Ų49.530%0.29923%0.232SC..  trans-57.1-35-177.4-25.735000113.5I341 Q349 R558I341-P343 HydrophobicContact CG2-CG 4.34Å; I341-P343 WeakPolarHBondContact O-CD 3.3Å; P343-Q349 WeakPolarHBondContact CD-O 3.4Å; P343-R558 VanDerWaalsContact C-NH2 3.27Å; P343-R558 PolarHBondContact O-NH2 2.94Å
344G69.6Low78.3Confident1 Ų146.9 Ų46.91%0.0123%0.23CC..SBendtrans-107.2167.6-176.700000115.3D170 Y342 S346 Q349 R558D170-G344 WeakPolarHBondContact OD2-CA 3.47Å; Y342-G344 PolarHBondContact O-N 3.23Å; G344-S346 PolarHBondContact O-N 2.77Å; G344-Q349 VanDerWaalsContact CA-OE1 3.27Å; G344-R558 VanDerWaalsContact C-CZ 3.48Å; G344-R558 VanDerWaalsContact CA-NH2 3.3Å; G344-R558 PolarHBondContact O-NE 2.96Å; G344-R558 PolarHBondContact O-NH2 3.4Å
345K63.6Low78.4Confident162 Ų16247.9 Ų47.970%0.70424%0.235SC*.SBendtrans-68-18.3-167.6-68.9-176-179.4-179.50114.2D170D170-K345 PolarHBondContact OD2-N 2.86Å
346S62.1Low78.5Confident43 Ų4347.5 Ų47.530%0.30123%0.233SC..SBendtrans-103.7149.7179.857.20000112.2G344 G348 Q349G344-S346 PolarHBondContact O-N 2.77Å; S346-G348 PolarHBondContact O-N 2.73Å; S346-G348 VanDerWaalsContact O-N 3.16Å; S346-Q349 PolarHBondContact O-N 2.94Å; S346-Q349 PolarHBondContact OG-NE2 3.28Å
347I57.1Low78.9Confident52 Ų5252.6 Ų52.627%0.26726%0.257SS..THydrogen-bonded Turntrans-52.8-36.2175-60.4173.1000111Y342 Q349 D531 F557Y342-I347 HydrophobicContact CE1-CG2 4.19Å; Y342-I347 WeakPolarHBondContact CE1-O 3.41Å; I347-Q349 PolarHBondContact O-N 3.42Å; I347-Q349 VanDerWaalsContact O-N 3.09Å; I347-D531 HydrophobicContact CD1-CB 4.24Å; I347-D531 WeakPolarHBondContact CD1-O 3.04Å; I347-F557 HydrophobicContact CB-CE1 4.48Å; I347-F557 HydrophobicContact CB-CE2 4.5Å; I347-F557 HydrophobicContact CB-CZ 4.29Å; I347-F557 HydrophobicContact CD1-CD1 4.12Å; I347-F557 HydrophobicContact CD1-CE1 3.89Å; I347-F557 HydrophobicContact CD1-CZ 4.49Å; I347-F557 HydrophobicContact CG1-CD1 3.62Å; I347-F557 HydrophobicContact CG1-CD2 4.27Å; I347-F557 HydrophobicContact CG1-CE1 3.19Å; I347-F557 HydrophobicContact CG1-CE2 3.92Å; I347-F557 HydrophobicContact CG1-CG 4.14Å; I347-F557 HydrophobicContact CG1-CZ 3.36Å
348G58.6Low79.5Confident15 Ų1549.6 Ų49.616%0.15525%0.253CS..THydrogen-bonded Turntrans-63.8-11.8-179.400000115.4H245 S346 M350H245-G348 WeakPolarHBondContact CD2-CA 3.42Å; H245-G348 WeakPolarHBondContact NE2-CA 3Å; H245-G348 PolarHBondContact NE2-O 3.29Å; S346-G348 PolarHBondContact O-N 2.73Å; S346-G348 VanDerWaalsContact O-N 3.16Å; G348-M350 PolarHBondContact O-N 2.97Å
349Q68.8Low80.2Confident20 Ų2049 Ų499%0.09325%0.25CC..  trans-96.661.2175.4-60.1-168.935.500110.3T169 D170 Y342 P343 G344 S346 I347T169-Q349 WeakPolarHBondContact OG1-CG 3.43Å; D170-Q349 PolarHBondContact OD1-NE2 2.96Å; D170-Q349 PolarHBondContact OD1-OE1 3.49Å; D170-Q349 PolarHBondContact OD2-NE2 3.36Å; D170-Q349 PolarHBondContact OD2-OE1 3.41Å; D170-Q349 VanDerWaalsContact OD2-OE1 3.09Å; Y342-Q349 WeakPolarHBondContact CA-O 3.5Å; P343-Q349 WeakPolarHBondContact CD-O 3.4Å; G344-Q349 VanDerWaalsContact CA-OE1 3.27Å; S346-Q349 PolarHBondContact O-N 2.94Å; S346-Q349 PolarHBondContact OG-NE2 3.28Å; I347-Q349 PolarHBondContact O-N 3.42Å; I347-Q349 VanDerWaalsContact O-N 3.09Å
350M79.9Confident80.9Confident14 Ų1445.9 Ų45.97%0.06924%0.238CC..  trans-83.7138.8178.1170.8172.4-72.100110.3F323 S327 I340 Y342 G348 I352F323-M350 HydrophobicContact CB-CB 4.25Å; F323-M350 HydrophobicContact CB-CG 3.69Å; F323-M350 HydrophobicContact CB-SD 3.73Å; F323-M350 WeakPolarHBondContact CD2-O 3.44Å; S327-M350 WeakPolarHBondContact CB-SD 3.47Å; S327-M350 WeakPolarHBondContact OG-CE 2.97Å; I340-M350 HydrophobicContact CD1-CE 4.2Å; I340-M350 HydrophobicContact CG1-CE 4.4Å; I340-M350 HydrophobicContact CG2-CE 3.48Å; I340-M350 VanDerWaalsContact CG2-CE 3.48Å; I340-M350 HydrophobicContact CG2-CG 3.9Å; I340-M350 HydrophobicContact CG2-SD 4.19Å; Y342-M350 HydrophobicContact CE1-CE 4.02Å; G348-M350 PolarHBondContact O-N 2.97Å; M350-I352 HydrophobicContact CG-CD1 4.36Å; M350-I352 HydrophobicContact CG-CG1 3.89Å; M350-I352 HydrophobicContact SD-CD1 3.69Å; M350-I352 HydrophobicContact SD-CG1 3.9Å
351Y87.3Confident81.6Confident30 Ų3046.3 Ų46.312%0.11825%0.248CC..BIsolated β-bridgetrans-129121.8167.3175.1-116.3000109.6Q165 R166 F323 I341 P353 N356Q165-Y351 HydrophobicContact CB-CD2 3.96Å; Q165-Y351 HydrophobicContact CB-CE2 3.73Å; R166-Y351 HydrophobicContact CB-CE1 3.89Å; R166-Y351 HydrophobicContact CB-CE2 4.44Å; F323-Y351 HydrophobicContact CE2-CD2 4.14Å; F323-Y351 HydrophobicContact CZ-CD2 4.18Å; I341-Y351 HydrophobicContact CB-CD1 4.37Å; I341-Y351 HydrophobicContact CD1-CD1 4.23Å; I341-Y351 PolarHBondContact N-O 2.91Å; I341-Y351 PolarHBondContact O-N 3.11Å; Y351-P353 HydrophobicContact CD1-CG 4.02Å; Y351-P353 HydrophobicContact CE1-CB 4.03Å; Y351-P353 HydrophobicContact CE1-CG 3.57Å; Y351-N356 HydrophobicContact CE2-CB 3.76Å
352I89.5Confident82.2Confident0 Ų044.8 Ų44.80%024%0.244CC..  trans-113.4101.1175.1-52.7-178.6000108.4F323 V326 M338 I340 M350 A354 I355 N356F323-I352 HydrophobicContact CB-CD1 4.33Å; F323-I352 HydrophobicContact CB-CG1 4.28Å; F323-I352 HydrophobicContact CD1-CB 3.99Å; F323-I352 HydrophobicContact CD1-CG1 4.27Å; F323-I352 HydrophobicContact CE1-CB 4.42Å; F323-I352 HydrophobicContact CG-CG1 4.46Å; V326-I352 HydrophobicContact CB-CD1 4.06Å; V326-I352 HydrophobicContact CG1-CD1 3.7Å; M338-I352 HydrophobicContact CB-CG2 4.09Å; M338-I352 HydrophobicContact SD-CG2 4.46Å; I340-I352 HydrophobicContact CG1-CD1 4.06Å; I340-I352 HydrophobicContact CG1-CG1 4.01Å; M350-I352 HydrophobicContact CG-CD1 4.36Å; M350-I352 HydrophobicContact CG-CG1 3.89Å; M350-I352 HydrophobicContact SD-CD1 3.69Å; M350-I352 HydrophobicContact SD-CG1 3.9Å; I352-A354 VanDerWaalsContact C-N 3.29Å; I352-A354 PolarHBondContact O-N 3.4Å; I352-I355 HydrophobicContact CB-CB 4.08Å; I352-I355 HydrophobicContact CB-CG1 4.04Å; I352-I355 HydrophobicContact CD1-CG1 4.48Å; I352-I355 HydrophobicContact CG2-CB 4.07Å; I352-I355 HydrophobicContact CG2-CG1 3.61Å; I352-I355 PolarHBondContact O-N 3.35Å; I352-I355 VanDerWaalsContact O-N 3.14Å; I352-N356 PolarHBondContact O-N 3.41Å
353P90Very high82.9Confident37 Ų3742.8 Ų42.824%0.2424%0.236CC..Hα-helixtrans-56.9-38.8-173.2-22.528.5000114.1R339 I341 Y351 N356 M357R339-P353 VanDerWaalsContact O-CD 3.29Å; R339-P353 WeakPolarHBondContact O-CD 3.2Å; I341-P353 HydrophobicContact CD1-CG 3.94Å; Y351-P353 HydrophobicContact CD1-CG 4.02Å; Y351-P353 HydrophobicContact CE1-CB 4.03Å; Y351-P353 HydrophobicContact CE1-CG 3.57Å; P353-N356 PolarHBondContact O-N 3.38Å; P353-M357 VanDerWaalsContact O-CG 3.3Å; P353-M357 WeakPolarHBondContact O-CG 3.37Å; P353-M357 PolarHBondContact O-N 2.89Å; P353-M357 VanDerWaalsContact O-N 3.08Å
354A90.2Very high84Confident48 Ų4841.2 Ų41.240%0.39723%0.226SC..Hα-helixtrans-65.2-44.6179.900000111.6M338 I352 M357 I358M338-A354 HydrophobicContact SD-CB 4.3Å; I352-A354 VanDerWaalsContact C-N 3.29Å; I352-A354 PolarHBondContact O-N 3.4Å; A354-M357 PolarHBondContact O-N 2.7Å; A354-I358 VanDerWaalsContact O-CG1 3.28Å; A354-I358 WeakPolarHBondContact O-CG1 3.3Å; A354-I358 PolarHBondContact O-N 3.37Å
355I92.9Very high85.2Confident21 Ų2146.4 Ų46.411%0.10825%0.253CS..Hα-helixtrans-67.1-41.4177.7-60.9-61.3000110.3F323 V326 M338 I352 M357 I358 L359F323-I355 HydrophobicContact CD1-CB 4.03Å; F323-I355 HydrophobicContact CD1-CG2 3.79Å; F323-I355 HydrophobicContact CE1-CB 3.96Å; F323-I355 HydrophobicContact CE1-CG2 3.8Å; V326-I355 HydrophobicContact CB-CG1 4.44Å; V326-I355 HydrophobicContact CG1-CD1 4.18Å; V326-I355 HydrophobicContact CG1-CG1 4Å; V326-I355 HydrophobicContact CG2-CD1 3.93Å; V326-I355 HydrophobicContact CG2-CG1 4.05Å; V326-I355 HydrophobicContact CG2-CG2 4.38Å; M338-I355 HydrophobicContact CE-CD1 3.88Å; M338-I355 HydrophobicContact CE-CG1 4.11Å; M338-I355 HydrophobicContact SD-CD1 3.93Å; M338-I355 HydrophobicContact SD-CG1 4.13Å; I352-I355 HydrophobicContact CB-CB 4.08Å; I352-I355 HydrophobicContact CB-CG1 4.04Å; I352-I355 HydrophobicContact CD1-CG1 4.48Å; I352-I355 HydrophobicContact CG2-CB 4.07Å; I352-I355 HydrophobicContact CG2-CG1 3.61Å; I352-I355 PolarHBondContact O-N 3.35Å; I352-I355 VanDerWaalsContact O-N 3.14Å; I355-M357 VanDerWaalsContact C-N 3.3Å; I355-M357 PolarHBondContact O-N 3.49Å; I355-I358 PolarHBondContact O-N 2.91Å; I355-I358 VanDerWaalsContact O-N 3.17Å; I355-L359 HydrophobicContact CG2-CD1 3.75Å; I355-L359 HydrophobicContact CG2-CG 3.92Å; I355-L359 WeakPolarHBondContact O-CB 3.42Å; I355-L359 VanDerWaalsContact O-CG 3.29Å; I355-L359 WeakPolarHBondContact O-CG 3.4Å; I355-L359 PolarHBondContact O-N 3.22Å
356N94.1Very high86.6Confident10 Ų1039 Ų395%0.05322%0.221CC..Hα-helixtrans-55.6-45.8176-169.967.8000112.4F162 Q165 F323 Y351 I352 P353 W360F162-N356 WeakPolarHBondContact CD1-OD1 3.33Å; F162-N356 PolarHBondContact O-ND2 2.83Å; Q165-N356 WeakPolarHBondContact CB-OD1 3.43Å; Q165-N356 WeakPolarHBondContact CG-OD1 3.42Å; F323-N356 HydrophobicContact CE1-CB 4.17Å; F323-N356 HydrophobicContact CZ-CB 3.96Å; Y351-N356 HydrophobicContact CE2-CB 3.76Å; I352-N356 PolarHBondContact O-N 3.41Å; P353-N356 PolarHBondContact O-N 3.38Å; N356-W360 VanDerWaalsContact O-CB 3.32Å; N356-W360 WeakPolarHBondContact O-CB 3.39Å; N356-W360 PolarHBondContact O-N 2.72Å
357M93.3Very high88.1Confident121 Ų12137 Ų3760%0.59621%0.207SC*.Hα-helixtrans-64.9-42.4177.1-71.7-83.2-73.200112.3P353 A354 I355 A361P353-M357 VanDerWaalsContact O-CG 3.3Å; P353-M357 WeakPolarHBondContact O-CG 3.37Å; P353-M357 PolarHBondContact O-N 2.89Å; P353-M357 VanDerWaalsContact O-N 3.08Å; A354-M357 PolarHBondContact O-N 2.7Å; I355-M357 VanDerWaalsContact C-N 3.3Å; I355-M357 PolarHBondContact O-N 3.49Å; M357-A361 WeakPolarHBondContact O-CB 3.39Å; M357-A361 PolarHBondContact O-N 3.02Å
358I93.4Very high89.9Confident104 Ų10439.1 Ų39.153%0.53322%0.218SC..Hα-helixtrans-65-47.8178.2-69.3166000110.6A354 I355 A361 A362A354-I358 VanDerWaalsContact O-CG1 3.28Å; A354-I358 WeakPolarHBondContact O-CG1 3.3Å; A354-I358 PolarHBondContact O-N 3.37Å; I355-I358 PolarHBondContact O-N 2.91Å; I355-I358 VanDerWaalsContact O-N 3.17Å; I358-A361 PolarHBondContact O-N 3.44Å; I358-A362 VanDerWaalsContact O-CB 3.24Å; I358-A362 WeakPolarHBondContact O-CB 3.37Å; I358-A362 PolarHBondContact O-N 2.85Å
359L94.8Very high91.5Very high9 Ų942.8 Ų42.85%0.04724%0.238CC..Hα-helixtrans-60.9-45.1177.8-69.2178.7000110.9V119 F162 I319 F323 I355 A362 C363V119-L359 HydrophobicContact CG2-CD2 3.46Å; V119-L359 VanDerWaalsContact CG2-CD2 3.46Å; F162-L359 HydrophobicContact CE1-CB 3.51Å; F162-L359 HydrophobicContact CZ-CB 3.9Å; I319-L359 HydrophobicContact CG1-CD1 4.45Å; I319-L359 HydrophobicContact CG2-CD1 4.33Å; F323-L359 HydrophobicContact CE1-CD1 4.5Å; I355-L359 HydrophobicContact CG2-CD1 3.75Å; I355-L359 HydrophobicContact CG2-CG 3.92Å; I355-L359 WeakPolarHBondContact O-CB 3.42Å; I355-L359 VanDerWaalsContact O-CG 3.29Å; I355-L359 WeakPolarHBondContact O-CG 3.4Å; I355-L359 PolarHBondContact O-N 3.22Å; L359-A362 PolarHBondContact O-N 3.32Å; L359-C363 WeakPolarHBondContact O-CB 3.04Å; L359-C363 PolarHBondContact O-N 3.47Å
360W96Very high92.5Very high90 Ų9043.1 Ų43.134%0.34124%0.239SC..Hα-helixtrans-58.7-49.5176.2171.264.8000112.3L159 F162 N356 S364L159-W360 HydrophobicContact CD1-CZ2 4.01Å; F162-W360 HydrophobicContact CB-CB 3.87Å; F162-W360 HydrophobicContact CB-CG 4.05Å; F162-W360 HydrophobicContact CD1-CB 3.76Å; F162-W360 HydrophobicContact CD2-CB 3.77Å; F162-W360 AromaticContact CD2-CD1 3.6Å; F162-W360 HydrophobicContact CD2-CG 4.08Å; F162-W360 HydrophobicContact CE1-CB 4.22Å; F162-W360 HydrophobicContact CE2-CB 4.22Å; F162-W360 HydrophobicContact CG-CB 3.52Å; F162-W360 AromaticContact CG-CD1 3.9Å; F162-W360 HydrophobicContact CG-CG 4.05Å; F162-W360 HydrophobicContact CZ-CB 4.43Å; N356-W360 VanDerWaalsContact O-CB 3.32Å; N356-W360 WeakPolarHBondContact O-CB 3.39Å; N356-W360 PolarHBondContact O-N 2.72Å; W360-S364 VanDerWaalsContact O-CB 3.29Å; W360-S364 WeakPolarHBondContact O-CB 3.31Å; W360-S364 PolarHBondContact O-N 2.98Å; W360-S364 PolarHBondContact O-OG 2.84Å
361A96.2Very high93Very high50 Ų5046.6 Ų46.641%0.41325%0.251SS..Hα-helixtrans-65.1-45.2-178.800000111.5M357 I358 L365M357-A361 WeakPolarHBondContact O-CB 3.39Å; M357-A361 PolarHBondContact O-N 3.02Å; I358-A361 PolarHBondContact O-N 3.44Å; A361-L365 WeakPolarHBondContact O-CB 3.48Å; A361-L365 PolarHBondContact O-N 2.81Å
362A95Very high93Very high25 Ų2546.5 Ų46.521%0.20725%0.254CS..Hα-helixtrans-66.3-41.8179.200000111.6V119 I358 L359 L365 I366V119-A362 HydrophobicContact CB-CB 4.5Å; V119-A362 VanDerWaalsContact CG1-C 3.42Å; V119-A362 HydrophobicContact CG1-CB 3.55Å; V119-A362 HydrophobicContact CG2-CB 4.08Å; I358-A362 VanDerWaalsContact O-CB 3.24Å; I358-A362 WeakPolarHBondContact O-CB 3.37Å; I358-A362 PolarHBondContact O-N 2.85Å; L359-A362 PolarHBondContact O-N 3.32Å; A362-L365 PolarHBondContact O-N 3.5Å; A362-I366 WeakPolarHBondContact O-CG1 3.41Å; A362-I366 PolarHBondContact O-N 3.11Å
363C95Very high92.8Very high0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-65.1-45.7178.5-172.70000110.9V119 A123 F162 L359 L365 I366 V367V119-C363 HydrophobicContact CG1-CB 3.93Å; V119-C363 PolarHBondContact O-SG 3.38Å; A123-C363 PolarHBondContact N-SG 2.95Å; A123-C363 VanDerWaalsContact N-SG 3.43Å; F162-C363 HydrophobicContact CE2-CB 4.19Å; F162-C363 HydrophobicContact CZ-CB 4.37Å; L359-C363 WeakPolarHBondContact O-CB 3.04Å; L359-C363 PolarHBondContact O-N 3.47Å; C363-L365 VanDerWaalsContact C-N 3.31Å; C363-L365 PolarHBondContact O-N 3.37Å; C363-I366 PolarHBondContact O-N 3.2Å; C363-V367 WeakPolarHBondContact O-CG2 3.24Å; C363-V367 PolarHBondContact O-N 2.83Å
364S96.2Very high92.5Very high14 Ų1445.9 Ų45.910%0.09825%0.25CS..Hα-helixtrans-61.1-40.1175.7-57.40000111.9W360 V367 L368W360-S364 VanDerWaalsContact O-CB 3.29Å; W360-S364 WeakPolarHBondContact O-CB 3.31Å; W360-S364 PolarHBondContact O-N 2.98Å; W360-S364 PolarHBondContact O-OG 2.84Å; S364-V367 PolarHBondContact O-N 3.43Å; S364-L368 WeakPolarHBondContact O-CB 3.48Å; S364-L368 VanDerWaalsContact O-CG 3.27Å; S364-L368 WeakPolarHBondContact O-CG 3.44Å; S364-L368 PolarHBondContact O-N 2.93Å
365L95Very high92.1Very high109 Ų10948.1 Ų48.157%0.57125%0.252SS*.Hα-helixtrans-62.6-44.8175.8-17963.7000111.6A361 A362 C363 V367 L368 T369A361-L365 WeakPolarHBondContact O-CB 3.48Å; A361-L365 PolarHBondContact O-N 2.81Å; A362-L365 PolarHBondContact O-N 3.5Å; C363-L365 VanDerWaalsContact C-N 3.31Å; C363-L365 PolarHBondContact O-N 3.37Å; L365-V367 PolarHBondContact O-N 3.14Å; L365-L368 PolarHBondContact O-N 3.43Å; L365-T369 WeakPolarHBondContact O-CB 3.31Å; L365-T369 PolarHBondContact O-N 2.87Å; L365-T369 PolarHBondContact O-OG1 3.43Å
366I93.4Very high91.8Very high7 Ų747.1 Ų47.14%0.03625%0.247CC..Hα-helixtrans-59.3-46.9176.5-69.6177.8000110.7V119 L120 A123 A362 C363 L368 T369 F370 M376 V437 M441V119-I366 HydrophobicContact CB-CD1 4.41Å; V119-I366 HydrophobicContact CG1-CD1 3.63Å; L120-I366 HydrophobicContact CD2-CD1 3.63Å; L120-I366 HydrophobicContact CD2-CG2 4.37Å; L120-I366 HydrophobicContact CG-CD1 4.29Å; A123-I366 HydrophobicContact CB-CB 4.37Å; A123-I366 HydrophobicContact CB-CG2 3.86Å; A362-I366 WeakPolarHBondContact O-CG1 3.41Å; A362-I366 PolarHBondContact O-N 3.11Å; C363-I366 PolarHBondContact O-N 3.2Å; I366-L368 VanDerWaalsContact C-N 3.33Å; I366-L368 PolarHBondContact O-N 3.35Å; I366-T369 PolarHBondContact O-N 3.03Å; I366-F370 HydrophobicContact CG2-CD2 3.93Å; I366-F370 HydrophobicContact CG2-CE2 4.49Å; I366-F370 PolarHBondContact O-N 2.87Å; I366-M376 HydrophobicContact CG2-CG 4.09Å; I366-M376 HydrophobicContact CG2-SD 3.99Å; I366-V437 HydrophobicContact CG1-CG1 4.38Å; I366-M441 HydrophobicContact CD1-CE 4.22Å; I366-M441 HydrophobicContact CD1-SD 3.7Å; I366-M441 HydrophobicContact CG1-SD 4.49Å
367V94.2Very high91.4Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-61.1-42177.9175.10000111.7A123 V151 T154 L155 L158 C363 S364 L365 R371 M376A123-V367 HydrophobicContact CB-CG2 3.76Å; V151-V367 HydrophobicContact CG1-CG1 4.17Å; T154-V367 HydrophobicContact CG2-CG1 3.95Å; T154-V367 HydrophobicContact CG2-CG2 4.08Å; L155-V367 HydrophobicContact CD2-CB 4.24Å; L155-V367 HydrophobicContact CD2-CG1 4.2Å; L155-V367 HydrophobicContact CG-CG1 4.26Å; L158-V367 HydrophobicContact CD1-CG2 3.86Å; C363-V367 WeakPolarHBondContact O-CG2 3.24Å; C363-V367 PolarHBondContact O-N 2.83Å; S364-V367 PolarHBondContact O-N 3.43Å; L365-V367 PolarHBondContact O-N 3.14Å; V367-R371 VanDerWaalsContact O-CA 3.25Å; V367-R371 WeakPolarHBondContact O-CA 3.15Å; V367-R371 PolarHBondContact O-N 3.38Å; V367-M376 HydrophobicContact CB-CE 4.41Å; V367-M376 HydrophobicContact CG2-CE 4.31Å
368L94.3Very high90.8Very high97 Ų9741.7 Ų41.751%0.50822%0.222SC..Hα-helixtrans-67.6-37.8177.6-74.3169.1000113.1V151 L155 S364 L365 I366V151-L368 HydrophobicContact CG1-CD2 4.27Å; L155-L368 HydrophobicContact CD1-CD2 3.69Å; L155-L368 HydrophobicContact CD1-CG 4.07Å; S364-L368 WeakPolarHBondContact O-CB 3.48Å; S364-L368 VanDerWaalsContact O-CG 3.27Å; S364-L368 WeakPolarHBondContact O-CG 3.44Å; S364-L368 PolarHBondContact O-N 2.93Å; L365-L368 PolarHBondContact O-N 3.43Å; I366-L368 VanDerWaalsContact C-N 3.33Å; I366-L368 PolarHBondContact O-N 3.35Å
369T91.2Very high90.4Very high92 Ų9236.8 Ų36.856%0.56420%0.196SC*.Hα-helixtrans-76.1-49.1-178.2-60.20000112.3L365 I366L365-T369 WeakPolarHBondContact O-CB 3.31Å; L365-T369 PolarHBondContact O-N 2.87Å; L365-T369 PolarHBondContact O-OG1 3.43Å; I366-T369 PolarHBondContact O-N 3.03Å
370F89.6Confident89.9Confident28 Ų2836.3 Ų36.312%0.12319%0.194CC..Hα-helixtrans-91-27.9-173.3-74.1-72.4000114.2I366 T372 H375 M376 V437I366-F370 HydrophobicContact CG2-CD2 3.93Å; I366-F370 HydrophobicContact CG2-CE2 4.49Å; I366-F370 PolarHBondContact O-N 2.87Å; F370-T372 PolarHBondContact O-N 3.47Å; F370-H375 HydrophobicContact CB-CB 4.17Å; F370-H375 HydrophobicContact CD1-CB 3.54Å; F370-H375 HydrophobicContact CE1-CB 4.3Å; F370-H375 HydrophobicContact CG-CB 4.23Å; F370-M376 HydrophobicContact CB-CE 3.81Å; F370-M376 HydrophobicContact CB-CG 3.56Å; F370-M376 HydrophobicContact CD2-CG 4.23Å; F370-M376 HydrophobicContact CG-CG 4.07Å; F370-V437 HydrophobicContact CE2-CB 3.92Å; F370-V437 HydrophobicContact CE2-CG1 4.1Å; F370-V437 HydrophobicContact CE2-CG2 3.6Å; F370-V437 HydrophobicContact CZ-CB 3.98Å; F370-V437 HydrophobicContact CZ-CG2 3.42Å; F370-V437 VanDerWaalsContact CZ-CG2 3.42Å
371R90.9Very high89.3Confident87 Ų8732.2 Ų32.233%0.32818%0.179SC..  trans64.8-45.8176.6-42.3-161.870.6-175.23.5116.3Q147 N148 V151 V367Q147-R371 HydrophobicContact CG-CB 4.04Å; Q147-R371 PolarHBondContact NE2-O 3.15Å; N148-R371 VanDerWaalsContact OD1-CZ 3.25Å; N148-R371 PolarHBondContact OD1-NH1 3.22Å; N148-R371 PolarHBondContact OD1-NH2 3.38Å; V151-R371 HydrophobicContact CG2-CB 4.06Å; V367-R371 VanDerWaalsContact O-CA 3.25Å; V367-R371 WeakPolarHBondContact O-CA 3.15Å; V367-R371 PolarHBondContact O-N 3.38Å
372T86.9Confident88.8Confident27 Ų2730 Ų3017%0.16616%0.161CC..SBendtrans-107153.8-177.869.40000111.7E131 Q147 F370 S374 H375 M376E131-T372 WeakPolarHBondContact OE1-CA 3.28Å; Q147-T372 HydrophobicContact CG-CG2 4.24Å; F370-T372 PolarHBondContact O-N 3.47Å; T372-S374 VanDerWaalsContact C-N 3.34Å; T372-S374 PolarHBondContact O-N 3.07Å; T372-S374 PolarHBondContact OG1-OG 2.82Å; T372-H375 PolarHBondContact OG1-ND1 2.93Å; T372-M376 WeakPolarHBondContact O-CG 3.46Å
373S87Confident88.6Confident0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-63.8-38.4179.283.30000112.8K38 T128 E131 H375 M376 E377K38-S373 PolarHBondContact NZ-OG 2.87Å; T128-S373 WeakPolarHBondContact OG1-CB 3.43Å; T128-S373 PolarHBondContact OG1-OG 2.85Å; E131-S373 PolarHBondContact OE1-N 3.37Å; E131-S373 PolarHBondContact OE2-OG 2.82Å; S373-H375 VanDerWaalsContact C-N 3.32Å; S373-H375 PolarHBondContact O-N 3.35Å; S373-M376 CarbonylContact O-C 3.6Å; S373-M376 WeakPolarHBondContact O-CA 3.17Å; S373-M376 WeakPolarHBondContact O-CB 3.3Å; S373-M376 PolarHBondContact O-N 2.87Å; S373-E377 WeakPolarHBondContact CB-OE1 3.16Å; S373-E377 VanDerWaalsContact O-CG 3.28Å; S373-E377 WeakPolarHBondContact O-CG 3.11Å; S373-E377 PolarHBondContact O-N 3.45Å; S373-E377 PolarHBondContact OG-OE1 2.85Å
374S82.6Confident88.3Confident24 Ų2429.1 Ų29.117%0.16815%0.153CC..Hα-helixtrans-57.6-40.7-173.852.30000113.1E42 T372E42-S374 WeakPolarHBondContact OE1-CB 3.45Å; T372-S374 VanDerWaalsContact C-N 3.34Å; T372-S374 PolarHBondContact O-N 3.07Å; T372-S374 PolarHBondContact OG1-OG 2.82Å
375H81.8Confident88.1Confident95 Ų9528.5 Ų28.544%0.4415%0.148SC..Hα-helixtrans-73.2-28.6176.1-60.8107.6000113.2F370 T372 S373F370-H375 HydrophobicContact CB-CB 4.17Å; F370-H375 HydrophobicContact CD1-CB 3.54Å; F370-H375 HydrophobicContact CE1-CB 4.3Å; F370-H375 HydrophobicContact CG-CB 4.23Å; T372-H375 PolarHBondContact OG1-ND1 2.93Å; S373-H375 VanDerWaalsContact C-N 3.32Å; S373-H375 PolarHBondContact O-N 3.35Å
376M86.9Confident88Confident0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-78.1-32.2178-59.3179.5-155.800111.8A123 V124 I366 V367 F370 T372 S373 A378 A379 Y380A123-M376 HydrophobicContact CB-SD 3.95Å; V124-M376 HydrophobicContact CG2-CB 3.55Å; I366-M376 HydrophobicContact CG2-CG 4.09Å; I366-M376 HydrophobicContact CG2-SD 3.99Å; V367-M376 HydrophobicContact CB-CE 4.41Å; V367-M376 HydrophobicContact CG2-CE 4.31Å; F370-M376 HydrophobicContact CB-CE 3.81Å; F370-M376 HydrophobicContact CB-CG 3.56Å; F370-M376 HydrophobicContact CD2-CG 4.23Å; F370-M376 HydrophobicContact CG-CG 4.07Å; T372-M376 WeakPolarHBondContact O-CG 3.46Å; S373-M376 CarbonylContact O-C 3.6Å; S373-M376 WeakPolarHBondContact O-CA 3.17Å; S373-M376 WeakPolarHBondContact O-CB 3.3Å; S373-M376 PolarHBondContact O-N 2.87Å; M376-A378 VanDerWaalsContact C-N 3.26Å; M376-A378 PolarHBondContact O-N 3.41Å; M376-A379 WeakPolarHBondContact O-CB 3.2Å; M376-A379 PolarHBondContact O-N 3.07Å; M376-Y380 PolarHBondContact O-N 3.01Å
377E85.9Confident88Confident9 Ų924.6 Ų24.64%0.04213%0.13CC..Hα-helixtrans-58.7-36.2178.8-74.7161.1-150.500112.2A39 V124 L231 S373 A379 Y380 G381A39-E377 WeakPolarHBondContact CB-OE2 3.41Å; V124-E377 HydrophobicContact CG1-CG 3.98Å; L231-E377 HydrophobicContact CD1-CB 4.04Å; L231-E377 HydrophobicContact CD1-CG 4.4Å; S373-E377 WeakPolarHBondContact CB-OE1 3.16Å; S373-E377 VanDerWaalsContact O-CG 3.28Å; S373-E377 WeakPolarHBondContact O-CG 3.11Å; S373-E377 PolarHBondContact O-N 3.45Å; S373-E377 PolarHBondContact OG-OE1 2.85Å; E377-A379 PolarHBondContact O-N 3.35Å; E377-Y380 PolarHBondContact O-N 3.13Å; E377-G381 PolarHBondContact O-N 3.43Å
378A80.9Confident88.1Confident9 Ų924.6 Ų24.67%0.07413%0.13CC..Hα-helixtrans-60.9-40.4173.100000113.1M376 K430M376-A378 VanDerWaalsContact C-N 3.26Å; M376-A378 PolarHBondContact O-N 3.41Å; A378-K430 HydrophobicContact CB-CB 3.81Å; A378-K430 HydrophobicContact CB-CD 4.23Å
379A84.5Confident88.1Confident0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-68.5-42.4176.900000111.8L120 M376 E377 L382 S383 G434 A438L120-A379 HydrophobicContact CD1-CB 4.37Å; L120-A379 HydrophobicContact CD2-CB 3.89Å; M376-A379 WeakPolarHBondContact O-CB 3.2Å; M376-A379 PolarHBondContact O-N 3.07Å; E377-A379 PolarHBondContact O-N 3.35Å; A379-L382 PolarHBondContact O-N 3.35Å; A379-S383 PolarHBondContact O-N 3.29Å; A379-G434 WeakPolarHBondContact CB-O 3.45Å; A379-A438 HydrophobicContact CB-CB 4.08Å; A379-A438 WeakPolarHBondContact O-CB 3.5Å
380Y83.4Confident88.3Confident0 Ų019.5 Ų19.50%010%0.098CC..Hα-helixtrans-60.5-52.9-176.2-174.1-142.4000112.9D28 Y35 D117 L120 T121 V124 L231 T234 M376 E377 L382 S383 I384D28-Y380 VanDerWaalsContact CG-OH 3.26Å; D28-Y380 PolarHBondContact OD1-OH 3.32Å; D28-Y380 PolarHBondContact OD2-OH 2.94Å; Y35-Y380 HydrophobicContact CE2-CE1 4.23Å; Y35-Y380 AromaticContact CZ-CE1 4Å; D117-Y380 WeakPolarHBondContact OD1-CD2 3.29Å; D117-Y380 WeakPolarHBondContact OD1-CE2 3.41Å; L120-Y380 HydrophobicContact CB-CD2 3.94Å; T121-Y380 WeakPolarHBondContact OG1-CE2 3.29Å; T121-Y380 PolarHBondContact OG1-OH 3.46Å; V124-Y380 HydrophobicContact CG1-CD1 4.47Å; V124-Y380 HydrophobicContact CG2-CD1 4.48Å; V124-Y380 HydrophobicContact CG2-CG 4.39Å; L231-Y380 HydrophobicContact CD2-CD1 3.84Å; T234-Y380 VanDerWaalsContact CB-CZ 3.48Å; T234-Y380 WeakPolarHBondContact CB-OH 3.31Å; T234-Y380 HydrophobicContact CG2-CD1 3.97Å; T234-Y380 HydrophobicContact CG2-CE1 3.34Å; T234-Y380 HydrophobicContact CG2-CE2 4.4Å; T234-Y380 PolarHBondContact OG1-OH 3.36Å; T234-Y380 VanDerWaalsContact OG1-OH 3.09Å; M376-Y380 PolarHBondContact O-N 3.01Å; E377-Y380 PolarHBondContact O-N 3.13Å; Y380-L382 VanDerWaalsContact C-N 3.31Å; Y380-L382 PolarHBondContact O-N 3.08Å; Y380-S383 PolarHBondContact O-N 2.96Å; Y380-I384 HydrophobicContact CD2-CD1 3.74Å; Y380-I384 HydrophobicContact CE1-CD1 4.48Å; Y380-I384 HydrophobicContact CE2-CD1 3.35Å; Y380-I384 HydrophobicContact CE2-CG1 4.41Å; Y380-I384 HydrophobicContact CG-CD1 4.47Å; Y380-I384 PolarHBondContact O-N 2.88Å
381G84.1Confident88.6Confident3 Ų318.3 Ų18.33%0.0319%0.093CC..Hα-helixtrans-60.8-36.6-179.500000113.9E377 T385E377-G381 PolarHBondContact O-N 3.43Å; G381-T385 WeakPolarHBondContact O-CG2 3.08Å; G381-T385 PolarHBondContact O-N 2.82Å; G381-T385 PolarHBondContact O-OG1 2.95Å; G381-T385 VanDerWaalsContact O-OG1 3.14Å
382L86.9Confident88.9Confident4 Ų414.2 Ų14.22%0.0218%0.078CC..Hα-helixtrans-68.3-38.3-179.5-176.460.6000112.8A379 Y380 T385 V386 F424 V428 F431 V439A379-L382 PolarHBondContact O-N 3.35Å; Y380-L382 VanDerWaalsContact C-N 3.31Å; Y380-L382 PolarHBondContact O-N 3.08Å; L382-T385 PolarHBondContact O-OG1 2.85Å; L382-V386 WeakPolarHBondContact O-CG2 3.1Å; L382-F424 HydrophobicContact CD1-CD2 4.22Å; L382-F424 HydrophobicContact CD1-CE2 3.99Å; L382-V428 HydrophobicContact CD1-CG2 3.71Å; L382-F431 HydrophobicContact CD2-CD2 4.06Å; L382-V439 HydrophobicContact CD2-CG2 3.53Å; L382-V439 HydrophobicContact CG-CG2 4.18Å
383S89.1Confident89.3Confident5 Ų516.3 Ų16.34%0.0359%0.085CC..Hα-helixtrans-64.7-49.3179.3-153.20000111.4A113 A379 Y380 T385 V386 T387A113-S383 PolarHBondContact O-OG 3.03Å; A379-S383 PolarHBondContact O-N 3.29Å; Y380-S383 PolarHBondContact O-N 2.96Å; S383-T385 PolarHBondContact O-N 2.74Å; S383-V386 PolarHBondContact O-N 3.45Å; S383-T387 PolarHBondContact O-N 3.32Å; S383-T387 PolarHBondContact O-OG1 2.99Å
384I89.5Confident89.7Confident1 Ų116.3 Ų16.31%0.0059%0.085CC..Hα-helixtrans-67-40.3-175.1-65.8165.1000111.3D117 F230 T234 Y380 V386 T387 M388D117-I384 HydrophobicContact CB-CG1 4.27Å; D117-I384 VanDerWaalsContact CG-CG1 3.47Å; D117-I384 WeakPolarHBondContact OD1-CD1 3.17Å; D117-I384 WeakPolarHBondContact OD1-CG1 2.94Å; F230-I384 HydrophobicContact CE1-CB 3.9Å; F230-I384 HydrophobicContact CE1-CG2 3.75Å; F230-I384 HydrophobicContact CZ-CB 4.4Å; F230-I384 HydrophobicContact CZ-CG2 3.82Å; T234-I384 HydrophobicContact CG2-CD1 3.56Å; Y380-I384 HydrophobicContact CD2-CD1 3.74Å; Y380-I384 HydrophobicContact CE1-CD1 4.48Å; Y380-I384 HydrophobicContact CE2-CD1 3.35Å; Y380-I384 HydrophobicContact CE2-CG1 4.41Å; Y380-I384 HydrophobicContact CG-CD1 4.47Å; Y380-I384 PolarHBondContact O-N 2.88Å; I384-V386 VanDerWaalsContact C-N 3.25Å; I384-V386 PolarHBondContact O-N 3.19Å; I384-T387 WeakPolarHBondContact O-CB 3.19Å; I384-T387 PolarHBondContact O-N 3.39Å; I384-T387 VanDerWaalsContact O-N 3.09Å; I384-M388 HydrophobicContact CG2-CE 3.59Å; I384-M388 HydrophobicContact CG2-CG 4.05Å; I384-M388 HydrophobicContact CG2-SD 4.45Å; I384-M388 WeakPolarHBondContact O-CG 3.34Å; I384-M388 PolarHBondContact O-N 2.83Å
385T91.8Very high90.3Very high1 Ų115.1 Ų15.11%0.0068%0.077CC..Hα-helixtrans-56.6-39.717747.90000112.2F230 G381 L382 S383 M388 L389 F423F230-T385 HydrophobicContact CD1-CG2 3.62Å; F230-T385 HydrophobicContact CD2-CG2 3.96Å; F230-T385 HydrophobicContact CE1-CG2 3.36Å; F230-T385 HydrophobicContact CE2-CG2 3.71Å; F230-T385 HydrophobicContact CG-CG2 3.92Å; F230-T385 HydrophobicContact CZ-CG2 3.39Å; G381-T385 WeakPolarHBondContact O-CG2 3.08Å; G381-T385 PolarHBondContact O-N 2.82Å; G381-T385 PolarHBondContact O-OG1 2.95Å; G381-T385 VanDerWaalsContact O-OG1 3.14Å; L382-T385 PolarHBondContact O-OG1 2.85Å; S383-T385 PolarHBondContact O-N 2.74Å; T385-M388 PolarHBondContact O-N 3.1Å; T385-L389 WeakPolarHBondContact O-CG 3.1Å; T385-L389 PolarHBondContact O-N 2.94Å; T385-F423 HydrophobicContact CG2-CB 3.94Å
386V93.3Very high91Very high33 Ų3313.4 Ų13.420%0.27%0.067CC..Hα-helixtrans-63.2-47175.7173.80000110.9I109 A113 L382 S383 I384 M388 L389 M390 F424I109-V386 HydrophobicContact CG2-CG1 3.61Å; A113-V386 HydrophobicContact CB-CB 4.16Å; A113-V386 HydrophobicContact CB-CG1 4.02Å; L382-V386 WeakPolarHBondContact O-CG2 3.1Å; S383-V386 PolarHBondContact O-N 3.45Å; I384-V386 VanDerWaalsContact C-N 3.25Å; I384-V386 PolarHBondContact O-N 3.19Å; V386-M388 VanDerWaalsContact C-N 3.32Å; V386-M388 PolarHBondContact O-N 3.06Å; V386-L389 PolarHBondContact O-N 3.47Å; V386-M390 WeakPolarHBondContact O-CG 3.38Å; V386-M390 PolarHBondContact O-N 3.24Å; V386-F424 HydrophobicContact CG2-CD2 4.09Å; V386-F424 HydrophobicContact CG2-CE2 3.68Å
387T94Very high91.4Very high2 Ų214.1 Ų14.11%0.0127%0.07CC..Hα-helixtrans-58.1-44.3175.4-590000112G110 A113 L114 S383 I384 M390 T391G110-T387 PolarHBondContact O-OG1 3.14Å; A113-T387 WeakPolarHBondContact CB-OG1 3.42Å; L114-T387 HydrophobicContact CB-CG2 3.89Å; L114-T387 HydrophobicContact CD1-CG2 4.45Å; L114-T387 HydrophobicContact CD2-CG2 4.42Å; L114-T387 HydrophobicContact CG-CG2 4.49Å; L114-T387 PolarHBondContact N-OG1 3.34Å; L114-T387 VanDerWaalsContact N-OG1 3.1Å; S383-T387 PolarHBondContact O-N 3.32Å; S383-T387 PolarHBondContact O-OG1 2.99Å; I384-T387 WeakPolarHBondContact O-CB 3.19Å; I384-T387 PolarHBondContact O-N 3.39Å; I384-T387 VanDerWaalsContact O-N 3.09Å; T387-M390 PolarHBondContact O-N 3.49Å; T387-T391 WeakPolarHBondContact O-CB 3.28Å; T387-T391 PolarHBondContact O-N 3.35Å; T387-T391 PolarHBondContact O-OG1 2.81Å
388M94.5Very high91.8Very high0 Ų016 Ų160%08%0.077CC..Hα-helixtrans-64-45.5-179.7-69.6-152.6-176.400111.8L69 Y74 F230 A236 E237 I384 T385 V386 M390 T391 T392L69-M388 HydrophobicContact CD1-SD 4.32Å; Y74-M388 HydrophobicContact CE2-CE 4.02Å; Y74-M388 HydrophobicContact CE2-CG 4.39Å; Y74-M388 HydrophobicContact CE2-SD 3.95Å; Y74-M388 WeakPolarHBondContact OH-CG 3.4Å; F230-M388 HydrophobicContact CE2-CE 4.38Å; F230-M388 HydrophobicContact CE2-SD 3.85Å; F230-M388 HydrophobicContact CZ-CE 3.91Å; F230-M388 HydrophobicContact CZ-CG 4.29Å; F230-M388 HydrophobicContact CZ-SD 3.68Å; A236-M388 HydrophobicContact CB-CE 3.82Å; E237-M388 WeakPolarHBondContact OE2-CE 3.4Å; I384-M388 HydrophobicContact CG2-CE 3.59Å; I384-M388 HydrophobicContact CG2-CG 4.05Å; I384-M388 HydrophobicContact CG2-SD 4.45Å; I384-M388 WeakPolarHBondContact O-CG 3.34Å; I384-M388 PolarHBondContact O-N 2.83Å; T385-M388 PolarHBondContact O-N 3.1Å; V386-M388 VanDerWaalsContact C-N 3.32Å; V386-M388 PolarHBondContact O-N 3.06Å; M388-M390 PolarHBondContact O-N 3.23Å; M388-T391 WeakPolarHBondContact O-CB 3.48Å; M388-T391 PolarHBondContact O-N 3.5Å; M388-T391 VanDerWaalsContact O-N 3.15Å; M388-T392 PolarHBondContact O-N 3.09Å; M388-T392 PolarHBondContact O-OG1 3.47Å; M388-T392 VanDerWaalsContact O-OG1 3.07Å
389L95.1Very high92.4Very high38 Ų3816.6 Ų16.620%0.1998%0.079CC..Hα-helixtrans-58.8-45.1175.9-80.2169.6000112.1T385 V386 T391 T392 F393 E420 F424T385-L389 WeakPolarHBondContact O-CG 3.1Å; T385-L389 PolarHBondContact O-N 2.94Å; V386-L389 PolarHBondContact O-N 3.47Å; L389-T391 VanDerWaalsContact C-N 3.31Å; L389-T391 PolarHBondContact O-N 2.83Å; L389-T392 PolarHBondContact O-N 3.24Å; L389-F393 PolarHBondContact O-N 3.27Å; L389-F393 VanDerWaalsContact O-N 3.07Å; L389-E420 WeakPolarHBondContact CA-OE2 3.45Å; L389-E420 HydrophobicContact CD2-CB 3.47Å; L389-E420 VanDerWaalsContact CD2-CB 3.47Å; L389-E420 HydrophobicContact CG-CB 3.89Å; L389-E420 PolarHBondContact N-OE2 2.79Å; L389-F424 HydrophobicContact CD1-CB 3.81Å; L389-F424 HydrophobicContact CD1-CD2 4.11Å; L389-F424 HydrophobicContact CD1-CG 3.92Å
390M96.4Very high92.8Very high43 Ų4319.2 Ų19.221%0.2129%0.093CC..Hα-helixtrans-65.2-38.1177.4-65-52.197.900111.5I89 P106 I109 V386 T387 M388 F393 L394I89-M390 HydrophobicContact CD1-CB 4.1Å; P106-M390 HydrophobicContact CB-CB 4.19Å; P106-M390 HydrophobicContact CB-CG 4.3Å; P106-M390 HydrophobicContact CB-SD 3.59Å; P106-M390 VanDerWaalsContact CB-SD 3.59Å; P106-M390 WeakPolarHBondContact O-CB 3.35Å; P106-M390 WeakPolarHBondContact O-CG 3.34Å; I109-M390 HydrophobicContact CB-CG 4Å; I109-M390 HydrophobicContact CB-SD 4.14Å; I109-M390 HydrophobicContact CD1-SD 4.38Å; I109-M390 HydrophobicContact CG2-CG 3.76Å; I109-M390 HydrophobicContact CG2-SD 4.02Å; V386-M390 WeakPolarHBondContact O-CG 3.38Å; V386-M390 PolarHBondContact O-N 3.24Å; T387-M390 PolarHBondContact O-N 3.49Å; M388-M390 PolarHBondContact O-N 3.23Å; M390-F393 PolarHBondContact O-N 2.93Å; M390-L394 WeakPolarHBondContact O-CG 3.44Å; M390-L394 PolarHBondContact O-N 2.89Å
391T95.2Very high93.2Very high3 Ų323.2 Ų23.22%0.01811%0.112CC..Hα-helixtrans-64.2-42.8175.5-56.70000111.2Y74 L92 T387 M388 L389 F393 L394 L395Y74-T391 HydrophobicContact CE1-CG2 4.33Å; L92-T391 HydrophobicContact CD2-CG2 4.21Å; T387-T391 WeakPolarHBondContact O-CB 3.28Å; T387-T391 PolarHBondContact O-N 3.35Å; T387-T391 PolarHBondContact O-OG1 2.81Å; M388-T391 WeakPolarHBondContact O-CB 3.48Å; M388-T391 PolarHBondContact O-N 3.5Å; M388-T391 VanDerWaalsContact O-N 3.15Å; L389-T391 VanDerWaalsContact C-N 3.31Å; L389-T391 PolarHBondContact O-N 2.83Å; T391-F393 VanDerWaalsContact C-N 3.32Å; T391-F393 PolarHBondContact O-N 2.98Å; T391-L394 PolarHBondContact O-N 3.11Å; T391-L395 HydrophobicContact CG2-CD1 4.05Å; T391-L395 HydrophobicContact CG2-CG 4.25Å; T391-L395 WeakPolarHBondContact O-CB 3.09Å; T391-L395 WeakPolarHBondContact O-CG 3.14Å; T391-L395 PolarHBondContact O-N 3.49Å
392T96.3Very high93.5Very high1 Ų126 Ų261%0.00613%0.13CC..Hα-helixtrans-59.4-43.2176-62.10000111.3M388 L389 L395 Y396 M412 L413 F416 E420M388-T392 PolarHBondContact O-N 3.09Å; M388-T392 PolarHBondContact O-OG1 3.47Å; M388-T392 VanDerWaalsContact O-OG1 3.07Å; L389-T392 PolarHBondContact O-N 3.24Å; T392-L395 PolarHBondContact O-N 3.47Å; T392-Y396 PolarHBondContact O-N 3.44Å; T392-M412 HydrophobicContact CG2-SD 4.36Å; T392-L413 HydrophobicContact CG2-CD1 4.19Å; T392-F416 HydrophobicContact CG2-CB 3.75Å; T392-E420 WeakPolarHBondContact CB-OE2 3.29Å; T392-E420 VanDerWaalsContact OG1-CD 3.25Å; T392-E420 PolarHBondContact OG1-OE1 2.93Å; T392-E420 VanDerWaalsContact OG1-OE1 3.11Å; T392-E420 PolarHBondContact OG1-OE2 3.09Å
393F96Very high93.5Very high71 Ų7129.1 Ų29.131%0.31116%0.163SC..Hα-helixtrans-64.2-40.2175.5-176.5-98.5000113.2Y102 L103 P106 L389 M390 T391 Y396 H397Y102-F393 HydrophobicContact CE2-CE1 4.29Å; Y102-F393 HydrophobicContact CE2-CZ 4.19Å; L103-F393 HydrophobicContact CD2-CE1 3.9Å; P106-F393 HydrophobicContact CB-CD1 4.01Å; P106-F393 HydrophobicContact CG-CD1 3.7Å; P106-F393 HydrophobicContact CG-CE1 3.88Å; L389-F393 PolarHBondContact O-N 3.27Å; L389-F393 VanDerWaalsContact O-N 3.07Å; M390-F393 PolarHBondContact O-N 2.93Å; T391-F393 VanDerWaalsContact C-N 3.32Å; T391-F393 PolarHBondContact O-N 2.98Å; F393-Y396 WeakPolarHBondContact O-CB 3.36Å; F393-H397 AromaticContact CE1-CE1 3.5Å; F393-H397 AromaticContact CE1-ND1 3.91Å; F393-H397 AromaticContact CE2-CE1 3.77Å; F393-H397 AromaticContact CZ-CE1 3.35Å; F393-H397 WeakPolarHBondContact CZ-CE1 3.33Å; F393-H397 PolarHBondContact O-ND1 3.41Å
394L95.8Very high93.5Very high0 Ų030.7 Ų30.70%017%0.173CC..Hα-helixtrans-71-37.9176.4-70.4174.2000112.1I89 L92 V96 L103 P106 A107 M390 T391 Y396 H397 Y398I89-L394 HydrophobicContact CD1-CD1 4.14Å; I89-L394 HydrophobicContact CG1-CD1 3.57Å; L92-L394 HydrophobicContact CD2-CB 3.46Å; L92-L394 VanDerWaalsContact CD2-CB 3.46Å; L92-L394 HydrophobicContact CD2-CD1 4.47Å; L92-L394 HydrophobicContact CG-CB 3.87Å; V96-L394 HydrophobicContact CG2-CD2 3.91Å; L103-L394 HydrophobicContact CB-CD2 4.27Å; L103-L394 HydrophobicContact CD2-CD2 4.23Å; P106-L394 HydrophobicContact CG-CD2 4Å; P106-L394 HydrophobicContact CG-CG 4.41Å; A107-L394 HydrophobicContact CB-CD1 4.13Å; M390-L394 WeakPolarHBondContact O-CG 3.44Å; M390-L394 PolarHBondContact O-N 2.89Å; T391-L394 PolarHBondContact O-N 3.11Å; L394-Y396 VanDerWaalsContact C-N 3.31Å; L394-Y396 PolarHBondContact O-N 3.13Å; L394-H397 PolarHBondContact O-N 3.35Å; L394-H397 VanDerWaalsContact O-N 3.16Å; L394-Y398 PolarHBondContact O-N 2.63Å
395L95.5Very high93.6Very high0 Ų034 Ų340%020%0.196CC..Hα-helixtrans-63-37.1175.9-78.5173.8000111.7K73 A78 A81 L92 T391 T392 H397 Y398 L399 M412K73-L395 HydrophobicContact CG-CD1 4.48Å; A78-L395 HydrophobicContact CB-CD1 4.02Å; A78-L395 HydrophobicContact CB-CD2 4.23Å; A81-L395 HydrophobicContact CB-CD2 4.11Å; L92-L395 HydrophobicContact CD1-CD2 4.1Å; L92-L395 HydrophobicContact CD2-CD2 3.92Å; L92-L395 HydrophobicContact CD2-CG 3.85Å; T391-L395 HydrophobicContact CG2-CD1 4.05Å; T391-L395 HydrophobicContact CG2-CG 4.25Å; T391-L395 WeakPolarHBondContact O-CB 3.09Å; T391-L395 WeakPolarHBondContact O-CG 3.14Å; T391-L395 PolarHBondContact O-N 3.49Å; T392-L395 PolarHBondContact O-N 3.47Å; L395-H397 VanDerWaalsContact C-N 3.33Å; L395-H397 PolarHBondContact O-N 3.4Å; L395-Y398 WeakPolarHBondContact O-CB 3.37Å; L395-Y398 PolarHBondContact O-N 3.11Å; L395-L399 WeakPolarHBondContact O-CG 3.33Å; L395-L399 PolarHBondContact O-N 2.9Å; L395-M412 HydrophobicContact CB-CE 3.45Å; L395-M412 VanDerWaalsContact CB-CE 3.45Å; L395-M412 HydrophobicContact CD1-CE 3.65Å; L395-M412 HydrophobicContact CG-CE 4.18Å
396Y95.7Very high93.6Very high58 Ų5844 Ų4423%0.22723%0.234CC..Hα-helixtrans-55.2-47.9171.5167.2-109.2000111.9T392 F393 L394 Y398 L399 L400 A409 L413T392-Y396 PolarHBondContact O-N 3.44Å; F393-Y396 WeakPolarHBondContact O-CB 3.36Å; L394-Y396 VanDerWaalsContact C-N 3.31Å; L394-Y396 PolarHBondContact O-N 3.13Å; Y396-Y398 VanDerWaalsContact C-N 3.33Å; Y396-Y398 PolarHBondContact O-N 2.74Å; Y396-L399 PolarHBondContact O-N 3.43Å; Y396-L400 HydrophobicContact CD1-CD1 4.28Å; Y396-L400 HydrophobicContact CE1-CD1 3.65Å; Y396-L400 HydrophobicContact CE2-CD1 3.99Å; Y396-L400 HydrophobicContact CE2-CD2 4.36Å; Y396-L400 HydrophobicContact CE2-CG 4.14Å; Y396-L400 VanDerWaalsContact CZ-CD1 3.49Å; Y396-L400 WeakPolarHBondContact O-CG 3.47Å; Y396-L400 PolarHBondContact O-N 3.29Å; Y396-L400 VanDerWaalsContact O-N 3.09Å; Y396-A409 HydrophobicContact CD2-CB 3.85Å; Y396-A409 WeakPolarHBondContact CD2-O 3.21Å; Y396-A409 HydrophobicContact CE2-CB 3.98Å; Y396-L413 HydrophobicContact CD1-CD2 4.04Å; Y396-L413 HydrophobicContact CD2-CB 3.97Å; Y396-L413 HydrophobicContact CD2-CD2 4.05Å; Y396-L413 HydrophobicContact CE1-CD2 4.31Å; Y396-L413 HydrophobicContact CE2-CD2 4.32Å; Y396-L413 HydrophobicContact CG-CB 4.2Å; Y396-L413 HydrophobicContact CG-CD2 3.89Å; Y396-L413 HydrophobicContact CG-CG 4.47Å
397H94.9Very high93.6Very high15 Ų1548.8 Ų48.87%0.06926%0.257CS..Hα-helixtrans-67.6-34.2178.4-70.783.9000112.5V96 Y102 L103 F393 L394 L395 L400 Q401V96-H397 HydrophobicContact CB-CB 4.25Å; V96-H397 HydrophobicContact CG1-CB 4.24Å; Y102-H397 AromaticContact CE2-NE2 3.74Å; Y102-H397 AromaticContact CZ-NE2 3.74Å; Y102-H397 PolarHBondContact OH-CD2 3.43Å; Y102-H397 PolarHBondContact OH-NE2 2.87Å; L103-H397 HydrophobicContact CD1-CB 4.4Å; L103-H397 HydrophobicContact CD2-CB 4.27Å; F393-H397 AromaticContact CE1-CE1 3.5Å; F393-H397 AromaticContact CE1-ND1 3.91Å; F393-H397 AromaticContact CE2-CE1 3.77Å; F393-H397 AromaticContact CZ-CE1 3.35Å; F393-H397 WeakPolarHBondContact CZ-CE1 3.33Å; F393-H397 PolarHBondContact O-ND1 3.41Å; L394-H397 PolarHBondContact O-N 3.35Å; L394-H397 VanDerWaalsContact O-N 3.16Å; L395-H397 VanDerWaalsContact C-N 3.33Å; L395-H397 PolarHBondContact O-N 3.4Å; H397-L400 PolarHBondContact O-N 3.32Å; H397-Q401 WeakPolarHBondContact O-CG 3.42Å; H397-Q401 PolarHBondContact O-N 3.35Å; H397-Q401 VanDerWaalsContact O-N 3.08Å
398Y94.6Very high93.5Very high48 Ų4853.4 Ų53.419%0.18828%0.281CS..Hα-helixtrans-62-48.7172.8171-102.9000111.5R80 A81 L92 L95 V96 L394 L395 Y396 L400 Q401 S402R80-Y398 PolarHBondContact O-OH 3.29Å; A81-Y398 HydrophobicContact CB-CD1 3.6Å; A81-Y398 HydrophobicContact CB-CD2 4.1Å; A81-Y398 HydrophobicContact CB-CE1 3.44Å; A81-Y398 VanDerWaalsContact CB-CE1 3.44Å; A81-Y398 HydrophobicContact CB-CE2 3.98Å; A81-Y398 HydrophobicContact CB-CG 3.92Å; L92-Y398 HydrophobicContact CD1-CD2 4.45Å; L92-Y398 HydrophobicContact CD1-CG 4.15Å; L95-Y398 HydrophobicContact CB-CD2 4.34Å; L95-Y398 HydrophobicContact CD1-CD2 4.15Å; L95-Y398 HydrophobicContact CD1-CE2 4Å; V96-Y398 VanDerWaalsContact CG1-CA 3.48Å; L394-Y398 PolarHBondContact O-N 2.63Å; L395-Y398 WeakPolarHBondContact O-CB 3.37Å; L395-Y398 PolarHBondContact O-N 3.11Å; Y396-Y398 VanDerWaalsContact C-N 3.33Å; Y396-Y398 PolarHBondContact O-N 2.74Å; Y398-L400 VanDerWaalsContact C-N 3.29Å; Y398-L400 PolarHBondContact O-N 3.35Å; Y398-Q401 CarbonylContact O-C 3.6Å; Y398-Q401 PolarHBondContact O-N 3.05Å; Y398-Q401 VanDerWaalsContact O-N 3.08Å; Y398-S402 WeakPolarHBondContact O-CB 3.47Å; Y398-S402 PolarHBondContact O-N 3.45Å
399L94.3Very high93.5Very high22 Ų2253.4 Ų53.412%0.11528%0.281CS..Hα-helixtrans-61.2-37.5179-69.6175.1000112.2L395 Y396 S402 T404 A409 M412L395-L399 WeakPolarHBondContact O-CG 3.33Å; L395-L399 PolarHBondContact O-N 2.9Å; Y396-L399 PolarHBondContact O-N 3.43Å; L399-S402 PolarHBondContact O-OG 3.28Å; L399-S402 VanDerWaalsContact O-OG 3.11Å; L399-T404 HydrophobicContact CD2-CG2 4.44Å; L399-T404 WeakPolarHBondContact O-CB 3.46Å; L399-T404 PolarHBondContact O-N 3.16Å; L399-T404 PolarHBondContact O-OG1 2.88Å; L399-A409 HydrophobicContact CB-CB 3.86Å; L399-A409 HydrophobicContact CD1-CB 4.45Å; L399-M412 HydrophobicContact CD1-CB 4.28Å; L399-M412 HydrophobicContact CD1-CG 4.08Å; L399-M412 HydrophobicContact CD1-SD 4.41Å
400L93.1Very high93.5Very high56 Ų5652.9 Ų52.929%0.29328%0.284SS..Hα-helixtrans-64-41173.5-70.9-179.7000112.6Y396 H397 Y398 R406 A409Y396-L400 HydrophobicContact CD1-CD1 4.28Å; Y396-L400 HydrophobicContact CE1-CD1 3.65Å; Y396-L400 HydrophobicContact CE2-CD1 3.99Å; Y396-L400 HydrophobicContact CE2-CD2 4.36Å; Y396-L400 HydrophobicContact CE2-CG 4.14Å; Y396-L400 VanDerWaalsContact CZ-CD1 3.49Å; Y396-L400 WeakPolarHBondContact O-CG 3.47Å; Y396-L400 PolarHBondContact O-N 3.29Å; Y396-L400 VanDerWaalsContact O-N 3.09Å; H397-L400 PolarHBondContact O-N 3.32Å; Y398-L400 VanDerWaalsContact C-N 3.29Å; Y398-L400 PolarHBondContact O-N 3.35Å; L400-R406 HydrophobicContact CD2-CB 4.31Å; L400-R406 HydrophobicContact CD2-CG 3.9Å; L400-A409 HydrophobicContact CD2-CB 4.01Å; L400-A409 HydrophobicContact CG-CB 4.3Å
401Q91.3Very high93.5Very high84 Ų8455.6 Ų55.639%0.39330%0.3SS..Hα-helixtrans-76.7-26.8179.7-70.8178.94400112.9L95 V96 H397 Y398 G403L95-Q401 PolarHBondContact O-OE1 3.27Å; V96-Q401 PolarHBondContact O-NE2 3.28Å; H397-Q401 WeakPolarHBondContact O-CG 3.42Å; H397-Q401 PolarHBondContact O-N 3.35Å; H397-Q401 VanDerWaalsContact O-N 3.08Å; Y398-Q401 CarbonylContact O-C 3.6Å; Y398-Q401 PolarHBondContact O-N 3.05Å; Y398-Q401 VanDerWaalsContact O-N 3.08Å; Q401-G403 PolarHBondContact O-N 2.96Å
402S89.3Confident93.4Very high61 Ų6156.1 Ų56.143%0.42730%0.302SS..THydrogen-bonded Turntrans-77.9-1.4178.381.30000113.8Y398 L399 T404Y398-S402 WeakPolarHBondContact O-CB 3.47Å; Y398-S402 PolarHBondContact O-N 3.45Å; L399-S402 PolarHBondContact O-OG 3.28Å; L399-S402 VanDerWaalsContact O-OG 3.11Å; S402-T404 PolarHBondContact OG-OG1 3.08Å
403G87.8Confident93.4Very high69 Ų6958.6 Ų58.671%0.71132%0.315SS*.THydrogen-bonded Turntrans82.712.4-177.700000114.9Q401Q401-G403 PolarHBondContact O-N 2.96Å
404T88.9Confident93.5Very high39 Ų3960.1 Ų60.124%0.23933%0.326CS..  trans-66.3147.9173-50.80000109.8L399 S402 R406 L408L399-T404 HydrophobicContact CD2-CG2 4.44Å; L399-T404 WeakPolarHBondContact O-CB 3.46Å; L399-T404 PolarHBondContact O-N 3.16Å; L399-T404 PolarHBondContact O-OG1 2.88Å; S402-T404 PolarHBondContact OG-OG1 3.08Å; T404-R406 PolarHBondContact O-N 2.81Å; T404-L408 HydrophobicContact CG2-CB 4.1Å; T404-L408 HydrophobicContact CG2-CD2 3.74Å; T404-L408 HydrophobicContact CG2-CG 4.19Å
405S91.8Very high93.5Very high70 Ų7065 Ų6549%0.4935%0.347SS..  trans-57.8136.4179.1720000111I407 L408 A409S405-I407 PolarHBondContact O-N 2.92Å; S405-I407 VanDerWaalsContact O-N 3.12Å; S405-L408 PolarHBondContact O-N 3.25Å; S405-L408 VanDerWaalsContact OG-CB 3.28Å; S405-L408 WeakPolarHBondContact OG-CB 3.3Å; S405-L408 PolarHBondContact OG-N 3.03Å; S405-A409 PolarHBondContact O-N 3.45Å
406R91.7Very high93.5Very high212 Ų21265.2 Ų65.280%0.835%0.348SS*.Hα-helixtrans-56.1-32.1-179.9-64.5-174.5179.9173.20.1112.2L400 T404 G410L400-R406 HydrophobicContact CD2-CB 4.31Å; L400-R406 HydrophobicContact CD2-CG 3.9Å; T404-R406 PolarHBondContact O-N 2.81Å; R406-G410 PolarHBondContact O-N 3.17Å
407I93.7Very high93.6Very high132 Ų13263.7 Ų63.768%0.67735%0.35SS*.Hα-helixtrans-65.5-49.2176.7-58.9173000110.2S405 A409 G410 L411S405-I407 PolarHBondContact O-N 2.92Å; S405-I407 VanDerWaalsContact O-N 3.12Å; I407-A409 PolarHBondContact O-N 3.31Å; I407-G410 PolarHBondContact O-N 3.33Å; I407-L411 HydrophobicContact CG2-CD1 4.02Å; I407-L411 HydrophobicContact CG2-CG 4.35Å; I407-L411 WeakPolarHBondContact O-CB 3.39Å; I407-L411 VanDerWaalsContact O-CG 3.31Å; I407-L411 WeakPolarHBondContact O-CG 3.41Å; I407-L411 PolarHBondContact O-N 3.45Å
408L92.7Very high93.6Very high99 Ų9967.2 Ų67.252%0.51837%0.368SS..Hα-helixtrans-66.5-40.2-179.1-175.762.7000111.7T404 S405 L411 M412T404-L408 HydrophobicContact CG2-CB 4.1Å; T404-L408 HydrophobicContact CG2-CD2 3.74Å; T404-L408 HydrophobicContact CG2-CG 4.19Å; S405-L408 PolarHBondContact O-N 3.25Å; S405-L408 VanDerWaalsContact OG-CB 3.28Å; S405-L408 WeakPolarHBondContact OG-CB 3.3Å; S405-L408 PolarHBondContact OG-N 3.03Å; L408-L411 PolarHBondContact O-N 3.48Å; L408-M412 WeakPolarHBondContact O-CB 3.41Å; L408-M412 PolarHBondContact O-N 3.05Å
409A93.7Very high93.6Very high0 Ų066.3 Ų66.30%037%0.366CS..Hα-helixtrans-61.1-45.5173.500000111.3Y396 L399 L400 S405 I407 M412 L413Y396-A409 HydrophobicContact CD2-CB 3.85Å; Y396-A409 WeakPolarHBondContact CD2-O 3.21Å; Y396-A409 HydrophobicContact CE2-CB 3.98Å; L399-A409 HydrophobicContact CB-CB 3.86Å; L399-A409 HydrophobicContact CD1-CB 4.45Å; L400-A409 HydrophobicContact CD2-CB 4.01Å; L400-A409 HydrophobicContact CG-CB 4.3Å; S405-A409 PolarHBondContact O-N 3.45Å; I407-A409 PolarHBondContact O-N 3.31Å; A409-M412 PolarHBondContact O-N 3.08Å; A409-L413 PolarHBondContact O-N 3.27Å
410G95.3Very high93.6Very high27 Ų2765.3 Ų65.328%0.27836%0.361SS..Hα-helixtrans-63.9-40.4176.700000113.4R406 I407 L413 L414R406-G410 PolarHBondContact O-N 3.17Å; I407-G410 PolarHBondContact O-N 3.33Å; G410-L413 PolarHBondContact O-N 3.2Å; G410-L414 VanDerWaalsContact O-CB 3.29Å; G410-L414 WeakPolarHBondContact O-CB 3.39Å; G410-L414 PolarHBondContact O-N 3.26Å
411L95.2Very high93.7Very high101 Ų10163.5 Ų63.553%0.52936%0.356SS..Hα-helixtrans-63.9-41.2175.1-75.3173.8000111.9I407 L408 L414 F415I407-L411 HydrophobicContact CG2-CD1 4.02Å; I407-L411 HydrophobicContact CG2-CG 4.35Å; I407-L411 WeakPolarHBondContact O-CB 3.39Å; I407-L411 VanDerWaalsContact O-CG 3.31Å; I407-L411 WeakPolarHBondContact O-CG 3.41Å; I407-L411 PolarHBondContact O-N 3.45Å; L408-L411 PolarHBondContact O-N 3.48Å; L411-L414 PolarHBondContact O-N 3.31Å; L411-F415 WeakPolarHBondContact O-CB 3.4Å; L411-F415 PolarHBondContact O-N 3.25Å
412M94.7Very high93.8Very high14 Ų1464.2 Ų64.27%0.06936%0.358CS..Hα-helixtrans-61.1-49.2175.3179.4-77.9-163.700110.9I77 T392 L395 L399 L408 A409 L414 F415 F416I77-M412 HydrophobicContact CD1-CG 4.36Å; I77-M412 HydrophobicContact CG2-CE 4.22Å; T392-M412 HydrophobicContact CG2-SD 4.36Å; L395-M412 HydrophobicContact CB-CE 3.45Å; L395-M412 VanDerWaalsContact CB-CE 3.45Å; L395-M412 HydrophobicContact CD1-CE 3.65Å; L395-M412 HydrophobicContact CG-CE 4.18Å; L399-M412 HydrophobicContact CD1-CB 4.28Å; L399-M412 HydrophobicContact CD1-CG 4.08Å; L399-M412 HydrophobicContact CD1-SD 4.41Å; L408-M412 WeakPolarHBondContact O-CB 3.41Å; L408-M412 PolarHBondContact O-N 3.05Å; A409-M412 PolarHBondContact O-N 3.08Å; M412-L414 PolarHBondContact O-N 2.89Å; M412-F415 PolarHBondContact O-N 3.29Å; M412-F416 HydrophobicContact CE-CD2 4.38Å; M412-F416 HydrophobicContact CG-CD2 3.89Å; M412-F416 HydrophobicContact CG-CE2 4.19Å; M412-F416 WeakPolarHBondContact O-CD2 3.38Å; M412-F416 PolarHBondContact O-N 3Å; M412-F416 HydrophobicContact SD-CD2 4.16Å
413L96.4Very high93.9Very high52 Ų5261.6 Ų61.627%0.27234%0.339SS..Hα-helixtrans-59.9-45.8176.8177.964.6000111.6T392 Y396 A409 G410 G417T392-L413 HydrophobicContact CG2-CD1 4.19Å; Y396-L413 HydrophobicContact CD1-CD2 4.04Å; Y396-L413 HydrophobicContact CD2-CB 3.97Å; Y396-L413 HydrophobicContact CD2-CD2 4.05Å; Y396-L413 HydrophobicContact CE1-CD2 4.31Å; Y396-L413 HydrophobicContact CE2-CD2 4.32Å; Y396-L413 HydrophobicContact CG-CB 4.2Å; Y396-L413 HydrophobicContact CG-CD2 3.89Å; Y396-L413 HydrophobicContact CG-CG 4.47Å; A409-L413 PolarHBondContact O-N 3.27Å; G410-L413 PolarHBondContact O-N 3.2Å; L413-G417 WeakPolarHBondContact O-CA 3.26Å; L413-G417 PolarHBondContact O-N 3.16Å
414L96.6Very high94.2Very high104 Ų10461.7 Ų61.755%0.54532%0.32SS..Hα-helixtrans-65.2-48.2-178.9-175.269.6000111G410 L411 M412 I418G410-L414 VanDerWaalsContact O-CB 3.29Å; G410-L414 WeakPolarHBondContact O-CB 3.39Å; G410-L414 PolarHBondContact O-N 3.26Å; L411-L414 PolarHBondContact O-N 3.31Å; M412-L414 PolarHBondContact O-N 2.89Å; L414-I418 HydrophobicContact CD1-CD1 3.68Å; L414-I418 HydrophobicContact CD1-CG1 4.31Å; L414-I418 HydrophobicContact CG-CD1 3.86Å; L414-I418 VanDerWaalsContact O-CB 3.28Å; L414-I418 WeakPolarHBondContact O-CB 3.37Å; L414-I418 WeakPolarHBondContact O-CD1 3.32Å; L414-I418 WeakPolarHBondContact O-CG1 3.25Å; L414-I418 PolarHBondContact O-N 3.32Å
415F96.6Very high94.3Very high101 Ų10164.7 Ų64.744%0.44333%0.333SS..Hα-helixtrans-63.9-55.6-177.6178.1-100.3000111.9L68 L411 M412 L419L68-F415 HydrophobicContact CD1-CZ 4Å; L68-F415 HydrophobicContact CD2-CE1 4.09Å; L68-F415 HydrophobicContact CD2-CZ 3.85Å; L68-F415 HydrophobicContact CG-CZ 4.45Å; L411-F415 WeakPolarHBondContact O-CB 3.4Å; L411-F415 PolarHBondContact O-N 3.25Å; M412-F415 PolarHBondContact O-N 3.29Å; F415-L419 HydrophobicContact CZ-CD1 4.46Å; F415-L419 WeakPolarHBondContact O-CB 3.4Å; F415-L419 PolarHBondContact O-N 3.23Å; F415-L419 VanDerWaalsContact O-N 3.13Å
416F96.3Very high94.3Very high6 Ų661.4 Ų61.43%0.02631%0.311CS..Hα-helixtrans-72.5-36.1-179.5-71.7-64.5000112.1L68 L69 V72 K73 I77 T392 M412 I418 L419 E420L68-F416 VanDerWaalsContact O-CE1 3.3Å; L68-F416 WeakPolarHBondContact O-CE1 3.39Å; L69-F416 HydrophobicContact CD2-CD1 4.08Å; L69-F416 HydrophobicContact CD2-CE1 4.46Å; V72-F416 HydrophobicContact CB-CZ 4.28Å; V72-F416 HydrophobicContact CG1-CZ 3.99Å; K73-F416 HydrophobicContact CB-CD1 4.12Å; K73-F416 HydrophobicContact CB-CE1 3.67Å; K73-F416 HydrophobicContact CB-CE2 4.13Å; K73-F416 HydrophobicContact CB-CZ 3.67Å; K73-F416 HydrophobicContact CD-CB 4.42Å; K73-F416 HydrophobicContact CD-CD1 4.03Å; K73-F416 HydrophobicContact CD-CD2 4.47Å; K73-F416 HydrophobicContact CD-CE1 4.45Å; K73-F416 HydrophobicContact CD-CG 4.05Å; K73-F416 HydrophobicContact CG-CD1 4.16Å; K73-F416 HydrophobicContact CG-CD2 4.12Å; K73-F416 HydrophobicContact CG-CE1 4.16Å; K73-F416 HydrophobicContact CG-CE2 4.09Å; K73-F416 HydrophobicContact CG-CG 4.15Å; K73-F416 HydrophobicContact CG-CZ 4.12Å; I77-F416 HydrophobicContact CD1-CE2 4.06Å; T392-F416 HydrophobicContact CG2-CB 3.75Å; M412-F416 HydrophobicContact CE-CD2 4.38Å; M412-F416 HydrophobicContact CG-CD2 3.89Å; M412-F416 HydrophobicContact CG-CE2 4.19Å; M412-F416 WeakPolarHBondContact O-CD2 3.38Å; M412-F416 PolarHBondContact O-N 3Å; M412-F416 HydrophobicContact SD-CD2 4.16Å; F416-I418 PolarHBondContact O-N 3.36Å; F416-L419 PolarHBondContact O-N 3.01Å; F416-E420 VanDerWaalsContact O-CB 3.23Å; F416-E420 WeakPolarHBondContact O-CB 3.5Å; F416-E420 VanDerWaalsContact O-CG 3.26Å; F416-E420 WeakPolarHBondContact O-CG 3.44Å; F416-E420 PolarHBondContact O-N 3.32Å
417G96Very high94Very high25 Ų2551.4 Ų51.426%0.25827%0.273SS..Hα-helixtrans-63.9-38.2176.900000113.1L413 G421L413-G417 WeakPolarHBondContact O-CA 3.26Å; L413-G417 PolarHBondContact O-N 3.16Å; G417-G421 WeakPolarHBondContact O-CA 3.45Å; G417-G421 PolarHBondContact O-N 3.43Å
418I95.8Very high93.8Very high89 Ų8947.9 Ų47.946%0.45626%0.258SS..Hα-helixtrans-68-48.5173.2-71.8170.5000110.5L414 F416 G421 F422L414-I418 HydrophobicContact CD1-CD1 3.68Å; L414-I418 HydrophobicContact CD1-CG1 4.31Å; L414-I418 HydrophobicContact CG-CD1 3.86Å; L414-I418 VanDerWaalsContact O-CB 3.28Å; L414-I418 WeakPolarHBondContact O-CB 3.37Å; L414-I418 WeakPolarHBondContact O-CD1 3.32Å; L414-I418 WeakPolarHBondContact O-CG1 3.25Å; L414-I418 PolarHBondContact O-N 3.32Å; F416-I418 PolarHBondContact O-N 3.36Å; I418-G421 WeakPolarHBondContact O-CA 3.4Å; I418-G421 PolarHBondContact O-N 3.32Å; I418-F422 HydrophobicContact CG2-CD2 3.85Å; I418-F422 HydrophobicContact CG2-CE2 3.5Å; I418-F422 VanDerWaalsContact CG2-CE2 3.5Å; I418-F422 VanDerWaalsContact O-CD2 3.22Å; I418-F422 WeakPolarHBondContact O-CD2 3.32Å; I418-F422 PolarHBondContact O-N 2.86Å
419L93.9Very high93.4Very high29 Ų2946.3 Ų46.315%0.15225%0.252CS..Hα-helixtrans-61.4-49.3-177.8178148000111.8L68 L69 F415 F416 G421 F422 F423L68-L419 HydrophobicContact CB-CD1 4.33Å; L68-L419 HydrophobicContact CD1-CD1 3.71Å; L69-L419 HydrophobicContact CD1-CD2 4.07Å; L69-L419 HydrophobicContact CD2-CD2 3.43Å; L69-L419 VanDerWaalsContact CD2-CD2 3.43Å; L69-L419 HydrophobicContact CG-CD2 3.77Å; F415-L419 HydrophobicContact CZ-CD1 4.46Å; F415-L419 WeakPolarHBondContact O-CB 3.4Å; F415-L419 PolarHBondContact O-N 3.23Å; F415-L419 VanDerWaalsContact O-N 3.13Å; F416-L419 PolarHBondContact O-N 3.01Å; L419-G421 VanDerWaalsContact C-N 3.29Å; L419-G421 PolarHBondContact O-N 2.85Å; L419-F422 PolarHBondContact O-N 2.85Å; L419-F423 HydrophobicContact CD2-CD2 3.81Å; L419-F423 HydrophobicContact CD2-CE2 3.53Å; L419-F423 HydrophobicContact CG-CD2 4.34Å; L419-F423 HydrophobicContact CG-CE2 3.93Å; L419-F423 WeakPolarHBondContact O-CD2 3.44Å; L419-F423 PolarHBondContact O-N 3.3Å
420E94.9Very high92.7Very high1 Ų147.4 Ų47.41%0.00526%0.257CS..Hα-helixtrans-67.3-31.6174.7-67.5172.3173.500111.8L69 K73 L389 T392 F416 F422 F423 F424L69-E420 HydrophobicContact CD2-CG 3.98Å; K73-E420 WeakPolarHBondContact CD-OE1 3.25Å; K73-E420 WeakPolarHBondContact CE-OE1 3.47Å; K73-E420 IonicContact NZ-OE1 2.67Å; K73-E420 PolarHBondContact NZ-OE1 2.91Å; L389-E420 WeakPolarHBondContact CA-OE2 3.45Å; L389-E420 HydrophobicContact CD2-CB 3.47Å; L389-E420 VanDerWaalsContact CD2-CB 3.47Å; L389-E420 HydrophobicContact CG-CB 3.89Å; L389-E420 PolarHBondContact N-OE2 2.79Å; T392-E420 WeakPolarHBondContact CB-OE2 3.29Å; T392-E420 VanDerWaalsContact OG1-CD 3.25Å; T392-E420 PolarHBondContact OG1-OE1 2.93Å; T392-E420 VanDerWaalsContact OG1-OE1 3.11Å; T392-E420 PolarHBondContact OG1-OE2 3.09Å; F416-E420 VanDerWaalsContact O-CB 3.23Å; F416-E420 WeakPolarHBondContact O-CB 3.5Å; F416-E420 VanDerWaalsContact O-CG 3.26Å; F416-E420 WeakPolarHBondContact O-CG 3.44Å; F416-E420 PolarHBondContact O-N 3.32Å; E420-F422 VanDerWaalsContact C-N 3.35Å; E420-F422 PolarHBondContact O-N 3.32Å; E420-F423 PolarHBondContact O-N 3.22Å; E420-F424 VanDerWaalsContact O-CB 3.29Å; E420-F424 WeakPolarHBondContact O-CB 3.34Å; E420-F424 PolarHBondContact O-N 3.34Å
421G94.4Very high92.2Very high19 Ų1949.3 Ų49.320%0.19626%0.258CS..Hα-helixtrans-59.1-43.4171.500000112.4G417 I418 L419 F424 I425G417-G421 WeakPolarHBondContact O-CA 3.45Å; G417-G421 PolarHBondContact O-N 3.43Å; I418-G421 WeakPolarHBondContact O-CA 3.4Å; I418-G421 PolarHBondContact O-N 3.32Å; L419-G421 VanDerWaalsContact C-N 3.29Å; L419-G421 PolarHBondContact O-N 2.85Å; G421-F424 PolarHBondContact O-N 3.4Å; G421-I425 VanDerWaalsContact O-CG1 3.27Å; G421-I425 WeakPolarHBondContact O-CG1 3.45Å; G421-I425 PolarHBondContact O-N 3.22Å
422F93.4Very high91.5Very high98 Ų9852.9 Ų52.943%0.4327%0.269SS..Hα-helixtrans-63.2-44.6173.5-77.7-66.1000112.2I223 L226 I418 L419 E420 F424 I425 S426I223-F422 HydrophobicContact CG2-CD1 4.33Å; L226-F422 HydrophobicContact CD1-CB 4.02Å; I418-F422 HydrophobicContact CG2-CD2 3.85Å; I418-F422 HydrophobicContact CG2-CE2 3.5Å; I418-F422 VanDerWaalsContact CG2-CE2 3.5Å; I418-F422 VanDerWaalsContact O-CD2 3.22Å; I418-F422 WeakPolarHBondContact O-CD2 3.32Å; I418-F422 PolarHBondContact O-N 2.86Å; L419-F422 PolarHBondContact O-N 2.85Å; E420-F422 VanDerWaalsContact C-N 3.35Å; E420-F422 PolarHBondContact O-N 3.32Å; F422-F424 VanDerWaalsContact C-N 3.33Å; F422-F424 PolarHBondContact O-N 2.97Å; F422-I425 PolarHBondContact O-N 3.37Å; F422-S426 VanDerWaalsContact O-CB 3.25Å; F422-S426 WeakPolarHBondContact O-CB 3.44Å; F422-S426 PolarHBondContact O-N 2.98Å
423F93.1Very high90.6Very high6 Ų658.6 Ų58.63%0.02630%0.296CS..Hα-helixtrans-62-39.8175.3-74.1-61.6000112.8T65 L69 L226 I229 F230 T385 L419 E420 S426 S427T65-F423 HydrophobicContact CG2-CE1 4.08Å; T65-F423 HydrophobicContact CG2-CE2 3.83Å; T65-F423 HydrophobicContact CG2-CZ 3.36Å; T65-F423 WeakPolarHBondContact OG1-CZ 3.42Å; L69-F423 HydrophobicContact CD1-CD2 4.33Å; L69-F423 HydrophobicContact CD1-CE2 4.13Å; L226-F423 HydrophobicContact CB-CD1 3.75Å; L226-F423 HydrophobicContact CB-CE1 3.77Å; L226-F423 HydrophobicContact CD2-CE1 3.8Å; L226-F423 HydrophobicContact CD2-CZ 4.18Å; L226-F423 HydrophobicContact CG-CE1 4.3Å; L226-F423 WeakPolarHBondContact O-CD1 3.23Å; L226-F423 VanDerWaalsContact O-CE1 3.27Å; L226-F423 WeakPolarHBondContact O-CE1 3.48Å; I229-F423 HydrophobicContact CG2-CE1 4.35Å; F230-F423 HydrophobicContact CB-CD1 3.63Å; F230-F423 HydrophobicContact CB-CE1 4.04Å; F230-F423 HydrophobicContact CB-CG 4.28Å; F230-F423 HydrophobicContact CD2-CB 3.82Å; F230-F423 AromaticContact CD2-CD1 3.77Å; F230-F423 HydrophobicContact CD2-CD1 3.77Å; F230-F423 AromaticContact CD2-CD2 3.97Å; F230-F423 HydrophobicContact CD2-CD2 3.97Å; F230-F423 HydrophobicContact CD2-CE1 4.32Å; F230-F423 AromaticContact CD2-CG 3.58Å; F230-F423 HydrophobicContact CD2-CG 3.58Å; F230-F423 HydrophobicContact CE2-CB 4.36Å; F230-F423 HydrophobicContact CE2-CG 4.37Å; F230-F423 HydrophobicContact CG-CB 4.35Å; F230-F423 HydrophobicContact CG-CD1 4.09Å; F230-F423 HydrophobicContact CG-CG 4.26Å; T385-F423 HydrophobicContact CG2-CB 3.94Å; L419-F423 HydrophobicContact CD2-CD2 3.81Å; L419-F423 HydrophobicContact CD2-CE2 3.53Å; L419-F423 HydrophobicContact CG-CD2 4.34Å; L419-F423 HydrophobicContact CG-CE2 3.93Å; L419-F423 WeakPolarHBondContact O-CD2 3.44Å; L419-F423 PolarHBondContact O-N 3.3Å; E420-F423 PolarHBondContact O-N 3.22Å; F423-S426 PolarHBondContact O-N 3.15Å; F423-S427 WeakPolarHBondContact O-CB 3.39Å; F423-S427 PolarHBondContact O-N 3.03Å; F423-S427 PolarHBondContact O-OG 3.11Å
424F92.7Very high89.9Confident72 Ų7256.1 Ų56.132%0.31628%0.283SS..Hα-helixtrans-64.6-51.2177.1176.7-101.7000111.2L382 V386 L389 E420 G421 F422 S426 S427 V428L382-F424 HydrophobicContact CD1-CD2 4.22Å; L382-F424 HydrophobicContact CD1-CE2 3.99Å; V386-F424 HydrophobicContact CG2-CD2 4.09Å; V386-F424 HydrophobicContact CG2-CE2 3.68Å; L389-F424 HydrophobicContact CD1-CB 3.81Å; L389-F424 HydrophobicContact CD1-CD2 4.11Å; L389-F424 HydrophobicContact CD1-CG 3.92Å; E420-F424 VanDerWaalsContact O-CB 3.29Å; E420-F424 WeakPolarHBondContact O-CB 3.34Å; E420-F424 PolarHBondContact O-N 3.34Å; G421-F424 PolarHBondContact O-N 3.4Å; F422-F424 VanDerWaalsContact C-N 3.33Å; F422-F424 PolarHBondContact O-N 2.97Å; F424-S426 PolarHBondContact O-N 3.03Å; F424-S427 PolarHBondContact O-N 3.45Å; F424-V428 HydrophobicContact CD1-CG2 4.14Å; F424-V428 HydrophobicContact CD2-CG2 4.2Å; F424-V428 HydrophobicContact CE1-CG2 3.74Å; F424-V428 HydrophobicContact CE2-CG2 3.8Å; F424-V428 HydrophobicContact CG-CG2 4.36Å; F424-V428 HydrophobicContact CZ-CG2 3.56Å; F424-V428 WeakPolarHBondContact O-CB 3.37Å; F424-V428 VanDerWaalsContact O-CG2 3.26Å; F424-V428 WeakPolarHBondContact O-CG2 3.47Å; F424-V428 PolarHBondContact O-N 2.83Å
425I92.1Very high89.2Confident101 Ų10151.2 Ų51.252%0.51826%0.257SS..Hα-helixtrans-55.9-42175.6-68.4165.4000110.2F224 G421 F422 S427 V428 T429F224-I425 HydrophobicContact CE1-CG2 4.43Å; G421-I425 VanDerWaalsContact O-CG1 3.27Å; G421-I425 WeakPolarHBondContact O-CG1 3.45Å; G421-I425 PolarHBondContact O-N 3.22Å; F422-I425 PolarHBondContact O-N 3.37Å; I425-S427 VanDerWaalsContact C-N 3.34Å; I425-S427 PolarHBondContact O-N 2.83Å; I425-V428 PolarHBondContact O-N 3.34Å; I425-T429 PolarHBondContact O-N 3.25Å
426S90.4Very high88.8Confident1 Ų151.2 Ų51.21%0.00726%0.257CS..Hα-helixtrans-67.7-29.8177.8-172.50000114.6F224 G227 F422 F423 F424 T429F224-S426 WeakPolarHBondContact CA-OG 3.37Å; F224-S426 PolarHBondContact O-OG 3.15Å; G227-S426 PolarHBondContact N-OG 2.92Å; F422-S426 VanDerWaalsContact O-CB 3.25Å; F422-S426 WeakPolarHBondContact O-CB 3.44Å; F422-S426 PolarHBondContact O-N 2.98Å; F423-S426 PolarHBondContact O-N 3.15Å; F424-S426 PolarHBondContact O-N 3.03Å; S426-T429 PolarHBondContact O-OG1 3.08Å
427S86.8Confident88.4Confident2 Ų252.1 Ų52.11%0.01426%0.263CS..Hα-helixtrans-84-30.9178.5-57.70000111.2F423 F424 I425 T429 K430F423-S427 WeakPolarHBondContact O-CB 3.39Å; F423-S427 PolarHBondContact O-N 3.03Å; F423-S427 PolarHBondContact O-OG 3.11Å; F424-S427 PolarHBondContact O-N 3.45Å; I425-S427 VanDerWaalsContact C-N 3.34Å; I425-S427 PolarHBondContact O-N 2.83Å; S427-T429 VanDerWaalsContact C-N 3.29Å; S427-T429 PolarHBondContact O-N 3.33Å; S427-K430 WeakPolarHBondContact O-CB 3.45Å; S427-K430 PolarHBondContact O-N 2.99Å; S427-K430 VanDerWaalsContact O-N 3.1Å
428V87.7Confident88Confident59 Ų5951 Ų5136%0.35825%0.251SS..Hα-helixtrans-65.1-29.6177.1168.40000112.1L382 F424 I425 K430 F431L382-V428 HydrophobicContact CD1-CG2 3.71Å; F424-V428 HydrophobicContact CD1-CG2 4.14Å; F424-V428 HydrophobicContact CD2-CG2 4.2Å; F424-V428 HydrophobicContact CE1-CG2 3.74Å; F424-V428 HydrophobicContact CE2-CG2 3.8Å; F424-V428 HydrophobicContact CG-CG2 4.36Å; F424-V428 HydrophobicContact CZ-CG2 3.56Å; F424-V428 WeakPolarHBondContact O-CB 3.37Å; F424-V428 VanDerWaalsContact O-CG2 3.26Å; F424-V428 WeakPolarHBondContact O-CG2 3.47Å; F424-V428 PolarHBondContact O-N 2.83Å; I425-V428 PolarHBondContact O-N 3.34Å; V428-K430 PolarHBondContact O-N 3.01Å; V428-F431 WeakPolarHBondContact O-CB 3.12Å; V428-F431 PolarHBondContact O-N 2.89Å
429T85.1Confident87.8Confident66 Ų6649 Ų4941%0.40524%0.243SC..THydrogen-bonded Turntrans-63.4-22.7174.3560000113F224 I425 S426 S427 F431F224-T429 HydrophobicContact CD1-CG2 3.38Å; F224-T429 HydrophobicContact CE1-CG2 3.23Å; F224-T429 HydrophobicContact CG-CG2 4.2Å; F224-T429 HydrophobicContact CZ-CG2 3.93Å; I425-T429 PolarHBondContact O-N 3.25Å; S426-T429 PolarHBondContact O-OG1 3.08Å; S427-T429 VanDerWaalsContact C-N 3.29Å; S427-T429 PolarHBondContact O-N 3.33Å; T429-F431 VanDerWaalsContact C-N 3.25Å; T429-F431 PolarHBondContact O-N 2.97Å
430K79.6Confident87.7Confident22 Ų2250.2 Ų50.210%0.09626%0.258CS..THydrogen-bonded Turntrans-85.87.4174.3-48.8-175.1-171.1-173.60113.1E43 S228 A378 S427 V428 F432 H433 G434 G435E43-K430 WeakPolarHBondContact OE1-CE 3.31Å; E43-K430 IonicContact OE1-NZ 2.58Å; E43-K430 PolarHBondContact OE1-NZ 2.66Å; E43-K430 IonicContact OE2-NZ 3.4Å; E43-K430 PolarHBondContact OE2-NZ 2.72Å; S228-K430 PolarHBondContact OG-NZ 3.01Å; A378-K430 HydrophobicContact CB-CB 3.81Å; A378-K430 HydrophobicContact CB-CD 4.23Å; S427-K430 WeakPolarHBondContact O-CB 3.45Å; S427-K430 PolarHBondContact O-N 2.99Å; S427-K430 VanDerWaalsContact O-N 3.1Å; V428-K430 PolarHBondContact O-N 3.01Å; K430-F432 VanDerWaalsContact C-N 3.35Å; K430-F432 PolarHBondContact O-N 3.5Å; K430-H433 PolarHBondContact O-N 3.06Å; K430-G434 PolarHBondContact O-N 2.9Å; K430-G435 PolarHBondContact O-N 3.22Å; K430-G435 VanDerWaalsContact O-N 3.16Å
431F84.1Confident87.6Confident67 Ų6751.8 Ų51.829%0.29427%0.265SS..G310 helixtrans-54.5-47.2-177.7-176.4-96.2000112.8L382 V428 T429 H433 G435 F436 V439L382-F431 HydrophobicContact CD2-CD2 4.06Å; V428-F431 WeakPolarHBondContact O-CB 3.12Å; V428-F431 PolarHBondContact O-N 2.89Å; T429-F431 VanDerWaalsContact C-N 3.25Å; T429-F431 PolarHBondContact O-N 2.97Å; F431-H433 VanDerWaalsContact C-N 3.3Å; F431-H433 PolarHBondContact O-N 3.43Å; F431-G435 PolarHBondContact O-N 3.08Å; F431-F436 HydrophobicContact CD1-CB 4.21Å; F431-F436 HydrophobicContact CD2-CB 4.32Å; F431-F436 HydrophobicContact CE1-CB 3.77Å; F431-F436 HydrophobicContact CE2-CB 3.9Å; F431-F436 HydrophobicContact CG-CB 4.46Å; F431-F436 HydrophobicContact CZ-CB 3.6Å; F431-F436 PolarHBondContact O-N 2.96Å; F431-V439 HydrophobicContact CD2-CG2 4.31Å; F431-V439 HydrophobicContact CE2-CB 4.05Å; F431-V439 HydrophobicContact CE2-CG1 4.31Å; F431-V439 HydrophobicContact CE2-CG2 3.92Å
432F81.1Confident87.6Confident176 Ų17651.7 Ų51.777%0.77226%0.263SS*.G310 helixtrans-76.2-15.9179.3-66.5-73.1000113.9K430 G434K430-F432 VanDerWaalsContact C-N 3.35Å; K430-F432 PolarHBondContact O-N 3.5Å; F432-G434 VanDerWaalsContact C-N 3.34Å
433H76.2Confident87.7Confident135 Ų13551.6 Ų51.663%0.62527%0.266SS*.G310 helixtrans-93.712.5-179.8-64.292.5000113.3K430 F431K430-H433 PolarHBondContact O-N 3.06Å; F431-H433 VanDerWaalsContact C-N 3.3Å; F431-H433 PolarHBondContact O-N 3.43Å
434G80.1Confident87.8Confident0 Ų056.9 Ų56.90%029%0.294CS..THydrogen-bonded Turntrans137.2-23.6177.400000113.7A379 K430 F432 F436 V437A379-G434 WeakPolarHBondContact CB-O 3.45Å; K430-G434 PolarHBondContact O-N 2.9Å; F432-G434 VanDerWaalsContact C-N 3.34Å; G434-F436 PolarHBondContact O-N 3.48Å; G434-F436 VanDerWaalsContact O-N 3.08Å; G434-V437 PolarHBondContact O-N 3.32Å
435G82Confident87.9Confident0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-51.2-34.517900000115.1K430 F431 V437 A438 V439K430-G435 PolarHBondContact O-N 3.22Å; K430-G435 VanDerWaalsContact O-N 3.16Å; F431-G435 PolarHBondContact O-N 3.08Å; G435-V437 PolarHBondContact O-N 3.32Å; G435-V437 VanDerWaalsContact O-N 3.17Å; G435-A438 PolarHBondContact O-N 3.01Å; G435-V439 PolarHBondContact O-N 3.46Å
436F88.5Confident88.1Confident101 Ų10152.1 Ų52.144%0.44327%0.272SS..Hα-helixtrans-59.5-28.1-179.979.4-88.6000113.5F431 G434 V439 A440F431-F436 HydrophobicContact CD1-CB 4.21Å; F431-F436 HydrophobicContact CD2-CB 4.32Å; F431-F436 HydrophobicContact CE1-CB 3.77Å; F431-F436 HydrophobicContact CE2-CB 3.9Å; F431-F436 HydrophobicContact CG-CB 4.46Å; F431-F436 HydrophobicContact CZ-CB 3.6Å; F431-F436 PolarHBondContact O-N 2.96Å; G434-F436 PolarHBondContact O-N 3.48Å; G434-F436 VanDerWaalsContact O-N 3.08Å; F436-V439 PolarHBondContact O-N 3.33Å; F436-A440 VanDerWaalsContact O-CB 3.29Å; F436-A440 WeakPolarHBondContact O-CB 3.42Å; F436-A440 PolarHBondContact O-N 2.9Å
437V88.3Confident88.4Confident26 Ų2655 Ų5516%0.15829%0.292CS..Hα-helixtrans-69.1-44.9-179.6173.90000110.8I366 F370 G434 G435 V439 A440 M441I366-V437 HydrophobicContact CG1-CG1 4.38Å; F370-V437 HydrophobicContact CE2-CB 3.92Å; F370-V437 HydrophobicContact CE2-CG1 4.1Å; F370-V437 HydrophobicContact CE2-CG2 3.6Å; F370-V437 HydrophobicContact CZ-CB 3.98Å; F370-V437 HydrophobicContact CZ-CG2 3.42Å; F370-V437 VanDerWaalsContact CZ-CG2 3.42Å; G434-V437 PolarHBondContact O-N 3.32Å; G435-V437 PolarHBondContact O-N 3.32Å; G435-V437 VanDerWaalsContact O-N 3.17Å; V437-V439 VanDerWaalsContact C-N 3.31Å; V437-V439 PolarHBondContact O-N 3.37Å; V437-A440 PolarHBondContact O-N 3.11Å; V437-M441 HydrophobicContact CG1-CG 4.5Å; V437-M441 HydrophobicContact CG1-SD 3.94Å; V437-M441 VanDerWaalsContact O-CG 3.27Å; V437-M441 WeakPolarHBondContact O-CG 3.16Å; V437-M441 PolarHBondContact O-N 2.69Å
438A87.9Confident88.7Confident1 Ų156.6 Ų56.61%0.00830%0.302CS..Hα-helixtrans-59-44.4174.900000111.6L120 A379 G435 M441 A442L120-A438 HydrophobicContact CD1-CB 3.8Å; A379-A438 HydrophobicContact CB-CB 4.08Å; A379-A438 WeakPolarHBondContact O-CB 3.5Å; G435-A438 PolarHBondContact O-N 3.01Å; A438-M441 PolarHBondContact O-N 2.59Å; A438-A442 WeakPolarHBondContact O-CB 3.45Å; A438-A442 PolarHBondContact O-N 2.81Å
439V90.9Very high89.1Confident47 Ų4753.8 Ų53.829%0.28529%0.285SS..Hα-helixtrans-65.1-43.9177.8176.40000111.4L382 F431 G435 F436 V437 M441 A442 L443L382-V439 HydrophobicContact CD2-CG2 3.53Å; L382-V439 HydrophobicContact CG-CG2 4.18Å; F431-V439 HydrophobicContact CD2-CG2 4.31Å; F431-V439 HydrophobicContact CE2-CB 4.05Å; F431-V439 HydrophobicContact CE2-CG1 4.31Å; F431-V439 HydrophobicContact CE2-CG2 3.92Å; G435-V439 PolarHBondContact O-N 3.46Å; F436-V439 PolarHBondContact O-N 3.33Å; V437-V439 VanDerWaalsContact C-N 3.31Å; V437-V439 PolarHBondContact O-N 3.37Å; V439-M441 VanDerWaalsContact C-N 3.31Å; V439-M441 PolarHBondContact O-N 3.33Å; V439-A442 PolarHBondContact O-N 3.21Å; V439-L443 HydrophobicContact CG1-CD1 3.83Å; V439-L443 HydrophobicContact CG1-CG 4.17Å; V439-L443 VanDerWaalsContact O-CB 3.31Å; V439-L443 WeakPolarHBondContact O-CB 3.3Å; V439-L443 VanDerWaalsContact O-CG 3.24Å; V439-L443 WeakPolarHBondContact O-CG 3.45Å; V439-L443 PolarHBondContact O-N 3.38Å
440A93.2Very high89.6Confident55 Ų5554.9 Ų54.946%0.45528%0.282SS..Hα-helixtrans-60.5-41.8177.700000111.7F436 V437 L443 L444F436-A440 VanDerWaalsContact O-CB 3.29Å; F436-A440 WeakPolarHBondContact O-CB 3.42Å; F436-A440 PolarHBondContact O-N 2.9Å; V437-A440 PolarHBondContact O-N 3.11Å; A440-L443 PolarHBondContact O-N 3.43Å; A440-L444 WeakPolarHBondContact O-CB 3.47Å; A440-L444 PolarHBondContact O-N 3.06Å
441M92.7Very high90.2Very high34 Ų3455.2 Ų55.217%0.16729%0.285CS..Hα-helixtrans-66.1-48.2176.1-70.5174.556.900112.2A116 V119 I366 V437 A438 V439 L443 L444 I445A116-M441 HydrophobicContact CB-CB 4.03Å; A116-M441 HydrophobicContact CB-CE 4.48Å; V119-M441 HydrophobicContact CB-CE 3.45Å; V119-M441 VanDerWaalsContact CB-CE 3.45Å; V119-M441 HydrophobicContact CG1-CE 3.72Å; V119-M441 HydrophobicContact CG2-CE 3.48Å; V119-M441 VanDerWaalsContact CG2-CE 3.48Å; I366-M441 HydrophobicContact CD1-CE 4.22Å; I366-M441 HydrophobicContact CD1-SD 3.7Å; I366-M441 HydrophobicContact CG1-SD 4.49Å; V437-M441 HydrophobicContact CG1-CG 4.5Å; V437-M441 HydrophobicContact CG1-SD 3.94Å; V437-M441 VanDerWaalsContact O-CG 3.27Å; V437-M441 WeakPolarHBondContact O-CG 3.16Å; V437-M441 PolarHBondContact O-N 2.69Å; A438-M441 PolarHBondContact O-N 2.59Å; V439-M441 VanDerWaalsContact C-N 3.31Å; V439-M441 PolarHBondContact O-N 3.33Å; M441-L443 VanDerWaalsContact C-N 3.3Å; M441-L443 PolarHBondContact O-N 2.86Å; M441-L444 PolarHBondContact O-N 3.4Å; M441-I445 WeakPolarHBondContact O-CG1 3.43Å; M441-I445 PolarHBondContact O-N 3.03Å
442A94.1Very high90.6Very high17 Ų1752.6 Ų52.614%0.1427%0.273CS..Hα-helixtrans-59.5-41.8176.300000111.2A112 A113 A116 A438 V439 I445 L446A112-A442 WeakPolarHBondContact CB-O 3.24Å; A113-A442 HydrophobicContact CB-CB 4.47Å; A116-A442 HydrophobicContact CB-CB 4.26Å; A438-A442 WeakPolarHBondContact O-CB 3.45Å; A438-A442 PolarHBondContact O-N 2.81Å; V439-A442 PolarHBondContact O-N 3.21Å; A442-I445 PolarHBondContact O-N 2.87Å; A442-L446 WeakPolarHBondContact O-CB 3.5Å; A442-L446 PolarHBondContact O-N 3.39Å
443L95.7Very high91.1Very high95 Ų9545.8 Ų45.850%0.49724%0.243SC..Hα-helixtrans-65.8-37.4176-74.1175.8000112.8V439 A440 M441 L446 S447V439-L443 HydrophobicContact CG1-CD1 3.83Å; V439-L443 HydrophobicContact CG1-CG 4.17Å; V439-L443 VanDerWaalsContact O-CB 3.31Å; V439-L443 WeakPolarHBondContact O-CB 3.3Å; V439-L443 VanDerWaalsContact O-CG 3.24Å; V439-L443 WeakPolarHBondContact O-CG 3.45Å; V439-L443 PolarHBondContact O-N 3.38Å; A440-L443 PolarHBondContact O-N 3.43Å; M441-L443 VanDerWaalsContact C-N 3.3Å; M441-L443 PolarHBondContact O-N 2.86Å; L443-L446 HydrophobicContact CD2-CD2 4.4Å; L443-S447 VanDerWaalsContact O-CB 3.31Å; L443-S447 WeakPolarHBondContact O-CB 3.35Å; L443-S447 PolarHBondContact O-N 3.16Å; L443-S447 PolarHBondContact O-OG 3.43Å
444L94.9Very high91.7Very high118 Ų11842.8 Ų42.862%0.61823%0.227SC*.Hα-helixtrans-64.5-47175.4-176.9144.6000110.9A440 M441 S447 V448A440-L444 WeakPolarHBondContact O-CB 3.47Å; A440-L444 PolarHBondContact O-N 3.06Å; M441-L444 PolarHBondContact O-N 3.4Å; L444-S447 WeakPolarHBondContact O-CB 3.41Å; L444-S447 PolarHBondContact O-N 3.32Å; L444-V448 PolarHBondContact O-N 3.16Å
445I94.8Very high92Very high33 Ų3342.8 Ų42.817%0.16923%0.227CC..Hα-helixtrans-64.3-44.7177.2-63.7165000110.4A112 L115 A116 M441 A442 S447 V448 M449A112-I445 HydrophobicContact CB-CB 4.05Å; A112-I445 HydrophobicContact CB-CG2 3.82Å; L115-I445 HydrophobicContact CB-CD1 3.79Å; L115-I445 HydrophobicContact CB-CG2 4.37Å; L115-I445 HydrophobicContact CD1-CG2 3.77Å; A116-I445 HydrophobicContact CB-CD1 4.43Å; M441-I445 WeakPolarHBondContact O-CG1 3.43Å; M441-I445 PolarHBondContact O-N 3.03Å; A442-I445 PolarHBondContact O-N 2.87Å; I445-S447 VanDerWaalsContact C-N 3.3Å; I445-S447 PolarHBondContact O-N 3.37Å; I445-V448 PolarHBondContact O-N 3.07Å; I445-M449 HydrophobicContact CG2-CE 4.01Å; I445-M449 HydrophobicContact CG2-SD 4.47Å; I445-M449 PolarHBondContact O-N 2.89Å
446L96.7Very high92.1Very high40 Ų4043.7 Ų43.721%0.20923%0.231CC..Hα-helixtrans-61.4-37.4177.2-178.962.9000111.8M108 I109 A112 A442 L443 M449 Y450M108-L446 HydrophobicContact CB-CD1 3.64Å; I109-L446 HydrophobicContact CG1-CD1 4.19Å; I109-L446 HydrophobicContact CG1-CD2 4.01Å; A112-L446 HydrophobicContact CB-CB 3.93Å; A442-L446 WeakPolarHBondContact O-CB 3.5Å; A442-L446 PolarHBondContact O-N 3.39Å; L443-L446 HydrophobicContact CD2-CD2 4.4Å; L446-M449 PolarHBondContact O-N 3.12Å; L446-Y450 VanDerWaalsContact O-CB 3.28Å; L446-Y450 WeakPolarHBondContact O-CB 3.31Å; L446-Y450 PolarHBondContact O-N 2.83Å
447S95.2Very high91.8Very high61 Ų6141.5 Ų41.543%0.42722%0.223SC..Hα-helixtrans-62.9-43.7176.3-63.20000111.1L443 L444 I445 Y450 I451L443-S447 VanDerWaalsContact O-CB 3.31Å; L443-S447 WeakPolarHBondContact O-CB 3.35Å; L443-S447 PolarHBondContact O-N 3.16Å; L443-S447 PolarHBondContact O-OG 3.43Å; L444-S447 WeakPolarHBondContact O-CB 3.41Å; L444-S447 PolarHBondContact O-N 3.32Å; I445-S447 VanDerWaalsContact C-N 3.3Å; I445-S447 PolarHBondContact O-N 3.37Å; S447-Y450 PolarHBondContact O-N 3.25Å; S447-I451 WeakPolarHBondContact O-CB 3.34Å; S447-I451 WeakPolarHBondContact O-CD1 3.31Å; S447-I451 WeakPolarHBondContact O-CG1 3.17Å; S447-I451 PolarHBondContact O-N 3.04Å
448V94.1Very high91.5Very high35 Ų3540.5 Ų40.521%0.21222%0.217CC..Hα-helixtrans-61.7-46174.2177.80000110.4L335 L444 I445 Y450 I451 W452L335-V448 HydrophobicContact CD2-CG1 3.9Å; L444-V448 PolarHBondContact O-N 3.16Å; I445-V448 PolarHBondContact O-N 3.07Å; V448-Y450 PolarHBondContact O-N 3.12Å; V448-I451 PolarHBondContact O-N 3.39Å; V448-W452 HydrophobicContact CG1-CE3 3.89Å; V448-W452 HydrophobicContact CG1-CZ3 4.04Å; V448-W452 PolarHBondContact O-N 3.09Å
449M95.6Very high90.8Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-61.1-44.8177.9-70.9-177.517500112.8F90 M108 A112 L115 A329 L334 L335 I445 L446 W452 H453F90-M449 HydrophobicContact CE2-CE 4.18Å; F90-M449 HydrophobicContact CZ-CE 3.76Å; F90-M449 HydrophobicContact CZ-SD 4.1Å; M108-M449 HydrophobicContact CB-SD 4.4Å; M108-M449 HydrophobicContact CG-CB 4.33Å; M108-M449 HydrophobicContact CG-SD 4.5Å; M108-M449 HydrophobicContact SD-CB 4.17Å; A112-M449 HydrophobicContact CB-SD 4.46Å; L115-M449 HydrophobicContact CD1-CE 3.67Å; A329-M449 HydrophobicContact CB-CE 4.3Å; L334-M449 HydrophobicContact CB-CG 4.44Å; L334-M449 VanDerWaalsContact O-CA 3.31Å; L334-M449 WeakPolarHBondContact O-CA 3.46Å; L335-M449 HydrophobicContact CD1-CE 4.15Å; L335-M449 HydrophobicContact CD2-CE 4.39Å; L335-M449 HydrophobicContact CD2-CG 3.82Å; L335-M449 HydrophobicContact CG-CE 4.28Å; L335-M449 HydrophobicContact CG-CG 4.31Å; I445-M449 HydrophobicContact CG2-CE 4.01Å; I445-M449 HydrophobicContact CG2-SD 4.47Å; I445-M449 PolarHBondContact O-N 2.89Å; L446-M449 PolarHBondContact O-N 3.12Å; M449-W452 PolarHBondContact O-N 2.87Å; M449-H453 VanDerWaalsContact O-CB 3.29Å; M449-H453 WeakPolarHBondContact O-CB 3.23Å; M449-H453 PolarHBondContact O-N 3.37Å
450Y95Very high90Very high90 Ų9044.3 Ų44.335%0.35323%0.231SC..Hα-helixtrans-62.6-45.8177.7175.9-98.3000111.6L446 S447 V448 W452 H453 R454 W616 V620L446-Y450 VanDerWaalsContact O-CB 3.28Å; L446-Y450 WeakPolarHBondContact O-CB 3.31Å; L446-Y450 PolarHBondContact O-N 2.83Å; S447-Y450 PolarHBondContact O-N 3.25Å; V448-Y450 PolarHBondContact O-N 3.12Å; Y450-W452 VanDerWaalsContact C-N 3.31Å; Y450-W452 PolarHBondContact O-N 3.42Å; Y450-H453 PolarHBondContact O-N 3.19Å; Y450-R454 VanDerWaalsContact O-CB 3.29Å; Y450-R454 WeakPolarHBondContact O-CB 3.44Å; Y450-R454 PolarHBondContact O-N 3.45Å; Y450-W616 HydrophobicContact CE1-CZ2 4.08Å; Y450-W616 AromaticContact CE1-NE1 3.84Å; Y450-W616 AromaticContact CZ-NE1 3.89Å; Y450-W616 PolarHBondContact OH-NE1 3.05Å; Y450-V620 HydrophobicContact CE1-CG2 4.36Å
451I93.2Very high89.1Confident28 Ų2848 Ų4814%0.14424%0.243CC..Hα-helixtrans-57.6-46.5176.8-73.5162.8000110.3S447 V448 S455 V620 A623 R624 I627S447-I451 WeakPolarHBondContact O-CB 3.34Å; S447-I451 WeakPolarHBondContact O-CD1 3.31Å; S447-I451 WeakPolarHBondContact O-CG1 3.17Å; S447-I451 PolarHBondContact O-N 3.04Å; V448-I451 PolarHBondContact O-N 3.39Å; I451-S455 WeakPolarHBondContact O-CB 3.46Å; I451-S455 PolarHBondContact O-N 3.36Å; I451-V620 HydrophobicContact CG2-CG1 4.32Å; I451-V620 WeakPolarHBondContact CG2-O 3.45Å; I451-V620 WeakPolarHBondContact O-CG1 3.07Å; I451-A623 HydrophobicContact CD1-CB 3.9Å; I451-A623 HydrophobicContact CG1-CB 4.41Å; I451-A623 HydrophobicContact CG2-CB 4.25Å; I451-R624 HydrophobicContact CG2-CB 3.87Å; I451-I627 HydrophobicContact CD1-CD1 4.39Å
452W91.6Very high88.1Confident12 Ų1247.1 Ų47.15%0.04524%0.241CC..Hα-helixtrans-66-47.2178.5-109.4-101.8000112.5L334 P336 V448 M449 Y450 S455 N456 R624 I627L334-W452 WeakPolarHBondContact O-CB 3.31Å; P336-W452 HydrophobicContact CB-CH2 4.09Å; P336-W452 HydrophobicContact CB-CZ2 3.45Å; P336-W452 VanDerWaalsContact CB-CZ2 3.45Å; P336-W452 HydrophobicContact CG-CH2 4.13Å; P336-W452 HydrophobicContact CG-CZ2 3.91Å; V448-W452 HydrophobicContact CG1-CE3 3.89Å; V448-W452 HydrophobicContact CG1-CZ3 4.04Å; V448-W452 PolarHBondContact O-N 3.09Å; M449-W452 PolarHBondContact O-N 2.87Å; Y450-W452 VanDerWaalsContact C-N 3.31Å; Y450-W452 PolarHBondContact O-N 3.42Å; W452-S455 PolarHBondContact O-N 2.97Å; W452-N456 WeakPolarHBondContact O-CB 3.35Å; W452-N456 VanDerWaalsContact O-CG 3.26Å; W452-N456 PolarHBondContact O-N 3.47Å; W452-N456 PolarHBondContact O-ND2 3.29Å; W452-N456 VanDerWaalsContact O-ND2 3.08Å; W452-R624 HydrophobicContact CD2-CG 4.39Å; W452-R624 HydrophobicContact CH2-CG 4.14Å; W452-R624 HydrophobicContact CZ2-CG 3.98Å; W452-R624 HydrophobicContact CZ3-CG 4.41Å; W452-I627 HydrophobicContact CH2-CB 3.61Å; W452-I627 HydrophobicContact CH2-CD1 4.47Å; W452-I627 HydrophobicContact CH2-CG2 3.41Å; W452-I627 VanDerWaalsContact CH2-CG2 3.41Å; W452-I627 HydrophobicContact CZ3-CB 3.76Å; W452-I627 HydrophobicContact CZ3-CD1 3.72Å; W452-I627 HydrophobicContact CZ3-CG1 4.34Å; W452-I627 HydrophobicContact CZ3-CG2 3.62Å
453H92.1Very high86.9Confident34 Ų3448 Ų4816%0.15725%0.246CC..Hα-helixtrans-60-52179.9-178.162.9000111.6M108 L334 M449 Y450 S455 N456 Q457M108-H453 HydrophobicContact SD-CB 4.07Å; L334-H453 HydrophobicContact CD2-CB 3.96Å; M449-H453 VanDerWaalsContact O-CB 3.29Å; M449-H453 WeakPolarHBondContact O-CB 3.23Å; M449-H453 PolarHBondContact O-N 3.37Å; Y450-H453 PolarHBondContact O-N 3.19Å; H453-S455 PolarHBondContact O-N 3.27Å; H453-N456 PolarHBondContact O-N 3.39Å; H453-Q457 PolarHBondContact CE1-NE2 3.47Å; H453-Q457 VanDerWaalsContact CE1-NE2 3.33Å; H453-Q457 PolarHBondContact NE2-NE2 3.15Å; H453-Q457 WeakPolarHBondContact O-CG 3.42Å; H453-Q457 PolarHBondContact O-N 3.47Å
454R89.9Confident85.9Confident72 Ų7249.8 Ų49.827%0.27225%0.252SS..Hα-helixtrans-64.7-40.7-179.7-179.760.4177.8170.84.2111.6Y450 Q457 V458 D617 V620Y450-R454 VanDerWaalsContact O-CB 3.29Å; Y450-R454 WeakPolarHBondContact O-CB 3.44Å; Y450-R454 PolarHBondContact O-N 3.45Å; R454-Q457 WeakPolarHBondContact O-CB 3.36Å; R454-Q457 PolarHBondContact O-N 3.22Å; R454-V458 VanDerWaalsContact O-CG2 3.32Å; R454-V458 WeakPolarHBondContact O-CG2 3.44Å; R454-V458 PolarHBondContact O-N 3.14Å; R454-D617 IonicContact CZ-OD1 3.93Å; R454-D617 IonicContact CZ-OD2 2.94Å; R454-D617 IonicContact NE-OD1 2.78Å; R454-D617 PolarHBondContact NE-OD1 3.16Å; R454-D617 IonicContact NE-OD2 3.53Å; R454-D617 IonicContact NH2-OD1 3.65Å; R454-D617 PolarHBondContact NH2-OD1 3.05Å; R454-D617 IonicContact NH2-OD2 2.87Å; R454-D617 PolarHBondContact NH2-OD2 3.48Å; R454-V620 HydrophobicContact CB-CG1 3.96Å; R454-V620 HydrophobicContact CG-CG1 3.96Å; R454-V620 HydrophobicContact CG-CG2 4.3Å
455S85.5Confident85.2Confident0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-65.3-39.3177.3179.50000112.8I451 W452 H453 V458 Q459 M621 R624I451-S455 WeakPolarHBondContact O-CB 3.46Å; I451-S455 PolarHBondContact O-N 3.36Å; W452-S455 PolarHBondContact O-N 2.97Å; H453-S455 PolarHBondContact O-N 3.27Å; S455-V458 PolarHBondContact O-N 2.92Å; S455-Q459 WeakPolarHBondContact O-CG 3.37Å; S455-Q459 PolarHBondContact O-N 3.07Å; S455-M621 PolarHBondContact OG-SD 2.92Å; S455-R624 VanDerWaalsContact CB-CD 3.48Å; S455-R624 WeakPolarHBondContact OG-CD 3.46Å; S455-R624 PolarHBondContact OG-NH1 3.4Å
456N83.5Confident84.7Confident19 Ų1947 Ų4710%0.10224%0.239CC..Hα-helixtrans-67.6-37.6175-73.3-35.9000111.7K333 W452 H453 Q459 E460 R624K333-N456 WeakPolarHBondContact CB-ND2 3.28Å; K333-N456 PolarHBondContact O-ND2 2.87Å; W452-N456 WeakPolarHBondContact O-CB 3.35Å; W452-N456 VanDerWaalsContact O-CG 3.26Å; W452-N456 PolarHBondContact O-N 3.47Å; W452-N456 PolarHBondContact O-ND2 3.29Å; W452-N456 VanDerWaalsContact O-ND2 3.08Å; H453-N456 PolarHBondContact O-N 3.39Å; N456-Q459 PolarHBondContact O-N 3.44Å; N456-E460 WeakPolarHBondContact O-CB 3.47Å; N456-E460 VanDerWaalsContact O-CG 3.31Å; N456-E460 WeakPolarHBondContact O-CG 3.49Å; N456-E460 PolarHBondContact O-N 3.12Å; N456-R624 VanDerWaalsContact OD1-CZ 3.27Å; N456-R624 PolarHBondContact OD1-NH1 3.26Å; N456-R624 PolarHBondContact OD1-NH2 2.75Å
457Q83.9Confident84.3Confident55 Ų5551.8 Ų51.826%0.25726%0.255SS..Hα-helixtrans-60.5-48.4171.9-74.8179.3-14.500111.9H453 R454 Q459 E460 D461H453-Q457 PolarHBondContact CE1-NE2 3.47Å; H453-Q457 VanDerWaalsContact CE1-NE2 3.33Å; H453-Q457 PolarHBondContact NE2-NE2 3.15Å; H453-Q457 WeakPolarHBondContact O-CG 3.42Å; H453-Q457 PolarHBondContact O-N 3.47Å; R454-Q457 WeakPolarHBondContact O-CB 3.36Å; R454-Q457 PolarHBondContact O-N 3.22Å; Q457-Q459 VanDerWaalsContact C-N 3.25Å; Q457-Q459 PolarHBondContact O-N 3.49Å; Q457-E460 PolarHBondContact O-N 3.45Å; Q457-E460 VanDerWaalsContact O-N 3.17Å; Q457-D461 WeakPolarHBondContact O-CB 3.45Å; Q457-D461 PolarHBondContact O-N 3.32Å
458V80.1Confident83.8Confident5 Ų549 Ų493%0.0324%0.235CC..Hα-helixtrans-59.8-37.5178.1171.90000111.5R454 S455 A462 D617 M621 V654R454-V458 VanDerWaalsContact O-CG2 3.32Å; R454-V458 WeakPolarHBondContact O-CG2 3.44Å; R454-V458 PolarHBondContact O-N 3.14Å; S455-V458 PolarHBondContact O-N 2.92Å; V458-A462 VanDerWaalsContact O-CB 3.24Å; V458-A462 WeakPolarHBondContact O-CB 3.03Å; V458-A462 PolarHBondContact O-N 3.45Å; V458-D617 HydrophobicContact CG2-CB 4.18Å; V458-M621 HydrophobicContact CB-SD 4.41Å; V458-M621 HydrophobicContact CG1-SD 4.31Å; V458-V654 HydrophobicContact CG1-CG1 4.28Å; V458-V654 HydrophobicContact CG1-CG2 4.08Å
459Q74.8Confident83.4Confident39 Ų3953.2 Ų53.218%0.18225%0.251CS..Hα-helixtrans-68.9-44.9174.2-76.8-178.8-26.300112.7S455 N456 Q457 D461 A462 S463 E605 M621 L652S455-Q459 WeakPolarHBondContact O-CG 3.37Å; S455-Q459 PolarHBondContact O-N 3.07Å; N456-Q459 PolarHBondContact O-N 3.44Å; Q457-Q459 VanDerWaalsContact C-N 3.25Å; Q457-Q459 PolarHBondContact O-N 3.49Å; Q459-D461 VanDerWaalsContact C-N 3.35Å; Q459-A462 PolarHBondContact O-N 3.47Å; Q459-S463 VanDerWaalsContact O-CB 3.27Å; Q459-S463 WeakPolarHBondContact O-CB 3.32Å; Q459-S463 PolarHBondContact O-N 2.95Å; Q459-E605 PolarHBondContact NE2-OE2 3.16Å; Q459-M621 HydrophobicContact CG-CE 4.21Å; Q459-L652 HydrophobicContact CG-CD2 3.97Å
460E73.8Confident83.2Confident88 Ų8858.7 Ų58.741%0.41128%0.28SS..Hα-helixtrans-63.9-40.1178.3-75.5176-179.900111.7K333 N456 Q457 A462K333-E460 IonicContact NZ-OE1 2.72Å; K333-E460 PolarHBondContact NZ-OE1 3.36Å; N456-E460 WeakPolarHBondContact O-CB 3.47Å; N456-E460 VanDerWaalsContact O-CG 3.31Å; N456-E460 WeakPolarHBondContact O-CG 3.49Å; N456-E460 PolarHBondContact O-N 3.12Å; Q457-E460 PolarHBondContact O-N 3.45Å; Q457-E460 VanDerWaalsContact O-N 3.17Å; E460-A462 VanDerWaalsContact C-N 3.29Å; E460-A462 PolarHBondContact O-N 3.02Å
461D74.6Confident83Confident132 Ų13257.5 Ų57.571%0.70628%0.275SS*.Hα-helixtrans-69.3-26.7177.8-68.1-21.1000112.4Q457 Q459Q457-D461 WeakPolarHBondContact O-CB 3.45Å; Q457-D461 PolarHBondContact O-N 3.32Å; Q459-D461 VanDerWaalsContact C-N 3.35Å
462A69.8Low83Confident16 Ų1658 Ų5813%0.13228%0.278CS..Hα-helixtrans-93.8-23.1179.200000114V458 Q459 E460 Q464 L652 V654V458-A462 VanDerWaalsContact O-CB 3.24Å; V458-A462 WeakPolarHBondContact O-CB 3.03Å; V458-A462 PolarHBondContact O-N 3.45Å; Q459-A462 PolarHBondContact O-N 3.47Å; E460-A462 VanDerWaalsContact C-N 3.29Å; E460-A462 PolarHBondContact O-N 3.02Å; A462-Q464 PolarHBondContact O-N 2.98Å; A462-Q464 VanDerWaalsContact O-N 3.14Å; A462-L652 HydrophobicContact CB-CD1 3.93Å; A462-L652 HydrophobicContact CB-CD2 4.38Å; A462-L652 HydrophobicContact CB-CG 4.02Å; A462-V654 HydrophobicContact CB-CB 4.13Å; A462-V654 HydrophobicContact CB-CG1 4.23Å; A462-V654 HydrophobicContact CB-CG2 3.66Å
463S70.1Confident83Confident35 Ų3561.3 Ų61.325%0.24530%0.301CS..  trans-70.5107.8179.2-179.90000109.7Q459Q459-S463 VanDerWaalsContact O-CB 3.27Å; Q459-S463 WeakPolarHBondContact O-CB 3.32Å; Q459-S463 PolarHBondContact O-N 2.95Å
464Q75Confident83.1Confident133 Ų13364.2 Ų64.262%0.62132%0.315SS*.  trans-83.7119166.3-63.8-172-1.400108.7A462 Q505A462-Q464 PolarHBondContact O-N 2.98Å; A462-Q464 VanDerWaalsContact O-N 3.14Å; Q464-Q505 VanDerWaalsContact O-CB 3.29Å; Q464-Q505 WeakPolarHBondContact O-CB 3.36Å; Q464-Q505 PolarHBondContact O-N 3.05Å
465D79.4Confident83.2Confident75 Ų7560.8 Ų60.840%0.40130%0.302SS..EExtended strand (participates in β ladder)trans-83.2131.9168.7-66.8-25.9000108R497 A502D465-R497 IonicContact OD1-NH2 3.51Å; D465-R497 PolarHBondContact OD1-NH2 2.78Å; D465-R497 IonicContact OD2-CZ 3.43Å; D465-R497 IonicContact OD2-NH2 2.66Å; D465-R497 PolarHBondContact OD2-NH2 3.11Å; D465-R497 VanDerWaalsContact OD2-NH2 3.13Å; D465-A502 HydrophobicContact CB-CB 4.48Å
466V85.6Confident83.7Confident18 Ų1864 Ų6411%0.10932%0.317CS..EExtended strand (participates in β ladder)trans-113.3155.3175-64.90000109.7Y471 A502 I503 Q505 I508V466-Y471 HydrophobicContact CB-CE2 3.83Å; V466-Y471 HydrophobicContact CG1-CE2 4.2Å; V466-Y471 HydrophobicContact CG2-CD2 4.33Å; V466-Y471 HydrophobicContact CG2-CE2 3.91Å; V466-A502 WeakPolarHBondContact O-CA 3.49Å; V466-I503 HydrophobicContact CG2-CG2 4.08Å; V466-I503 WeakPolarHBondContact CG2-O 3.3Å; V466-I503 PolarHBondContact N-O 3.37Å; V466-I503 PolarHBondContact O-N 3.03Å; V466-Q505 HydrophobicContact CG1-CB 3.93Å; V466-Q505 HydrophobicContact CG1-CG 3.96Å; V466-Q505 HydrophobicContact CG2-CB 4.32Å; V466-I508 HydrophobicContact CG2-CG1 3.97Å
467Y87.3Confident84.2Confident141 Ų14169.8 Ų69.855%0.55334%0.343SS*.EExtended strand (participates in β ladder)trans-85.1127.2175.1-63.8-78.8000110.1K469 D470 D501Y467-K469 PolarHBondContact O-N 2.92Å; Y467-K469 VanDerWaalsContact O-N 3.14Å; Y467-D470 WeakPolarHBondContact O-CB 3.27Å; Y467-D470 PolarHBondContact O-N 2.9Å; Y467-D470 VanDerWaalsContact O-N 3.1Å; Y467-D501 HydrophobicContact CD1-CB 4.23Å
468F83.9Confident84.7Confident1 Ų167.7 Ų67.70%0.00433%0.334CS..Hα-helixtrans-52.4-37.1176.6-102.5-69000113.1D470 Y471 L472 D501 I503 I508 F524 M543F468-D470 PolarHBondContact O-N 3.06Å; F468-Y471 PolarHBondContact O-N 3.33Å; F468-L472 PolarHBondContact O-N 3.37Å; F468-L472 VanDerWaalsContact O-N 3.09Å; F468-D501 WeakPolarHBondContact CB-O 3.28Å; F468-D501 PolarHBondContact N-O 3.07Å; F468-I503 HydrophobicContact CD1-CG2 4.27Å; F468-I503 HydrophobicContact CD2-CB 3.64Å; F468-I503 HydrophobicContact CD2-CD1 4.42Å; F468-I503 HydrophobicContact CD2-CG2 3.51Å; F468-I503 HydrophobicContact CE1-CD1 4.19Å; F468-I503 HydrophobicContact CE1-CG2 4.23Å; F468-I503 HydrophobicContact CE2-CB 3.34Å; F468-I503 HydrophobicContact CE2-CD1 3.33Å; F468-I503 HydrophobicContact CE2-CG1 3.82Å; F468-I503 HydrophobicContact CE2-CG2 3.52Å; F468-I503 HydrophobicContact CG-CG2 3.94Å; F468-I503 HydrophobicContact CZ-CB 4Å; F468-I503 HydrophobicContact CZ-CD1 3.17Å; F468-I503 HydrophobicContact CZ-CG1 4.11Å; F468-I503 HydrophobicContact CZ-CG2 3.87Å; F468-I508 HydrophobicContact CD1-CD1 4.06Å; F468-I508 HydrophobicContact CE1-CD1 3.83Å; F468-F524 HydrophobicContact CE1-CD2 4.05Å; F468-F524 HydrophobicContact CE1-CE1 4.12Å; F468-F524 AromaticContact CE1-CE2 3.49Å; F468-F524 HydrophobicContact CE1-CE2 3.49Å; F468-F524 VanDerWaalsContact CE1-CE2 3.49Å; F468-F524 AromaticContact CE1-CZ 3.52Å; F468-F524 HydrophobicContact CE1-CZ 3.52Å; F468-F524 HydrophobicContact CE2-CD2 4.47Å; F468-F524 HydrophobicContact CE2-CG 4.44Å; F468-F524 AromaticContact CZ-CD1 3.75Å; F468-F524 HydrophobicContact CZ-CD1 3.75Å; F468-F524 AromaticContact CZ-CD2 3.52Å; F468-F524 HydrophobicContact CZ-CD2 3.52Å; F468-F524 AromaticContact CZ-CE1 3.65Å; F468-F524 HydrophobicContact CZ-CE1 3.65Å; F468-F524 AromaticContact CZ-CE2 3.42Å; F468-F524 HydrophobicContact CZ-CE2 3.42Å; F468-F524 VanDerWaalsContact CZ-CE2 3.42Å; F468-F524 AromaticContact CZ-CG 3.68Å; F468-F524 HydrophobicContact CZ-CG 3.68Å; F468-F524 AromaticContact CZ-CZ 3.48Å; F468-F524 HydrophobicContact CZ-CZ 3.48Å; F468-F524 VanDerWaalsContact CZ-CZ 3.48Å; F468-M543 HydrophobicContact CB-CE 4.16Å
469K87.1Confident85.2Confident124 Ų12468.7 Ų68.754%0.53934%0.338SS..Hα-helixtrans-59.1-33-178.5-74.4178.2169.91580112.8Y467 Y471 L472 D501 M543Y467-K469 PolarHBondContact O-N 2.92Å; Y467-K469 VanDerWaalsContact O-N 3.14Å; K469-Y471 VanDerWaalsContact C-N 3.25Å; K469-Y471 PolarHBondContact O-N 3.18Å; K469-L472 PolarHBondContact O-N 3.47Å; K469-D501 WeakPolarHBondContact CD-OD2 3.45Å; K469-D501 WeakPolarHBondContact CE-OD2 3.12Å; K469-D501 IonicContact NZ-OD2 2.9Å; K469-D501 PolarHBondContact NZ-OD2 3.47Å; K469-M543 HydrophobicContact CG-CE 3.9Å
470D90.7Very high86.1Confident115 Ų11571.2 Ų71.262%0.61535%0.353SS*.Hα-helixtrans-69-27.7-177.6-59-18.4000111.8Y467 F468Y467-D470 WeakPolarHBondContact O-CB 3.27Å; Y467-D470 PolarHBondContact O-N 2.9Å; Y467-D470 VanDerWaalsContact O-N 3.1Å; F468-D470 PolarHBondContact O-N 3.06Å
471Y92.1Very high87.1Confident65 Ų6568.5 Ų68.526%0.25534%0.341SS..Hα-helixtrans-104.2-6-178.9-63.5-86.5000113.4V466 F468 K469 Q474 L475 I508 L512V466-Y471 HydrophobicContact CB-CE2 3.83Å; V466-Y471 HydrophobicContact CG1-CE2 4.2Å; V466-Y471 HydrophobicContact CG2-CD2 4.33Å; V466-Y471 HydrophobicContact CG2-CE2 3.91Å; F468-Y471 PolarHBondContact O-N 3.33Å; K469-Y471 VanDerWaalsContact C-N 3.25Å; K469-Y471 PolarHBondContact O-N 3.18Å; Y471-Q474 PolarHBondContact O-N 3.29Å; Y471-Q474 VanDerWaalsContact O-N 3.14Å; Y471-L475 WeakPolarHBondContact O-CG 3.22Å; Y471-L475 PolarHBondContact O-N 2.96Å; Y471-I508 HydrophobicContact CD1-CG2 3.66Å; Y471-I508 HydrophobicContact CD2-CG2 4.16Å; Y471-I508 HydrophobicContact CE1-CG2 4.01Å; Y471-I508 HydrophobicContact CE2-CG2 4.48Å; Y471-I508 HydrophobicContact CG-CG2 3.73Å; Y471-L512 HydrophobicContact CD1-CD1 4.01Å
472L91.5Very high87.9Confident39 Ų3968.7 Ų68.720%0.20434%0.342CS..Hα-helixtrans-56.4-44.4-176.4-172.670.4000113.1F468 K469 Q474 L475 Q476 T545 F547 I548F468-L472 PolarHBondContact O-N 3.37Å; F468-L472 VanDerWaalsContact O-N 3.09Å; K469-L472 PolarHBondContact O-N 3.47Å; L472-Q474 VanDerWaalsContact C-N 3.33Å; L472-Q474 PolarHBondContact O-N 3.35Å; L472-L475 PolarHBondContact O-N 3.48Å; L472-Q476 PolarHBondContact O-N 3.42Å; L472-T545 HydrophobicContact CD1-CG2 3.93Å; L472-T545 HydrophobicContact CD2-CG2 4.23Å; L472-T545 HydrophobicContact CG-CG2 4.47Å; L472-F547 HydrophobicContact CD1-CZ 4.14Å; L472-I548 HydrophobicContact CD1-CD1 3.39Å; L472-I548 HydrophobicContact CD1-CG1 4.37Å
473P93Very high89Confident82 Ų8278 Ų7853%0.53237%0.374SS..Hα-helixtrans-61-41.2176.7-23.335.1000112.7Q476 E477P473-Q476 WeakPolarHBondContact O-CB 3.41Å; P473-Q476 PolarHBondContact O-N 2.84Å; P473-E477 WeakPolarHBondContact O-CG 3.44Å; P473-E477 PolarHBondContact O-N 3.29Å
474Q93.2Very high89.9Confident94 Ų9478 Ų7844%0.43937%0.371SS..Hα-helixtrans-68.9-36.1179.8-168.417816.900112.1Y471 L472 E477 L478 L512Y471-Q474 PolarHBondContact O-N 3.29Å; Y471-Q474 VanDerWaalsContact O-N 3.14Å; L472-Q474 VanDerWaalsContact C-N 3.33Å; L472-Q474 PolarHBondContact O-N 3.35Å; Q474-E477 PolarHBondContact O-N 2.92Å; Q474-L478 PolarHBondContact O-N 3.38Å; Q474-L512 HydrophobicContact CG-CD1 4.32Å; Q474-L512 HydrophobicContact CG-CD2 4.18Å; Q474-L512 VanDerWaalsContact OE1-CD1 3.3Å
475L93.5Very high90.8Very high1 Ų176.5 Ų76.51%0.00537%0.372CS..Hα-helixtrans-69-35.3174.6-69.4173.4000112.1Y471 L472 L478 H479 I508 I511 L512 F547 I548Y471-L475 WeakPolarHBondContact O-CG 3.22Å; Y471-L475 PolarHBondContact O-N 2.96Å; L472-L475 PolarHBondContact O-N 3.48Å; L475-L478 PolarHBondContact O-N 3.04Å; L475-H479 WeakPolarHBondContact O-CB 3.2Å; L475-H479 PolarHBondContact O-N 2.97Å; L475-I508 HydrophobicContact CD1-CD1 4.35Å; L475-I511 HydrophobicContact CD2-CB 4.36Å; L475-I511 HydrophobicContact CD2-CD1 4.29Å; L475-I511 HydrophobicContact CD2-CG2 3.59Å; L475-L512 HydrophobicContact CD2-CD2 4.13Å; L475-L512 HydrophobicContact CD2-CG 4.41Å; L475-F547 HydrophobicContact CB-CE2 4.11Å; L475-I548 HydrophobicContact CB-CD1 4.44Å; L475-I548 HydrophobicContact CD1-CD1 3.81Å
476Q94.1Very high91.4Very high68 Ų6877.7 Ų77.732%0.31837%0.372SS..Hα-helixtrans-62.8-49.1171.4-177.877.452.300110.6L472 P473 L478 H479 D480 F547L472-Q476 PolarHBondContact O-N 3.42Å; P473-Q476 WeakPolarHBondContact O-CB 3.41Å; P473-Q476 PolarHBondContact O-N 2.84Å; Q476-L478 VanDerWaalsContact C-N 3.3Å; Q476-L478 PolarHBondContact O-N 2.98Å; Q476-H479 WeakPolarHBondContact O-CB 3.39Å; Q476-H479 PolarHBondContact O-N 3.28Å; Q476-D480 PolarHBondContact NE2-OD2 2.97Å; Q476-D480 PolarHBondContact O-N 3.46Å; Q476-F547 HydrophobicContact CB-CZ 3.98Å
477E94.2Very high91.7Very high139 Ų13977.8 Ų77.865%0.6537%0.37SS*.Hα-helixtrans-56.2-44.5176.1-73.7178.3-164.600111.7P473 Q474 H479 D480 D481P473-E477 WeakPolarHBondContact O-CG 3.44Å; P473-E477 PolarHBondContact O-N 3.29Å; Q474-E477 PolarHBondContact O-N 2.92Å; E477-H479 PolarHBondContact O-N 2.85Å; E477-D480 PolarHBondContact O-N 3.49Å; E477-D481 WeakPolarHBondContact O-CB 3.1Å; E477-D481 PolarHBondContact O-N 3.05Å
478L94.5Very high92Very high11 Ų1171.9 Ų71.96%0.05835%0.348CS..Hα-helixtrans-64.5-38.7176178.661.5000112.5Q474 L475 Q476 I484 I511 L512 L516 R518Q474-L478 PolarHBondContact O-N 3.38Å; L475-L478 PolarHBondContact O-N 3.04Å; Q476-L478 VanDerWaalsContact C-N 3.3Å; Q476-L478 PolarHBondContact O-N 2.98Å; L478-I484 HydrophobicContact CD1-CD1 3.58Å; L478-I511 HydrophobicContact CD2-CG2 3.75Å; L478-L512 HydrophobicContact CD2-CD2 4.05Å; L478-L516 HydrophobicContact CD1-CB 4.46Å; L478-L516 HydrophobicContact CD1-CD2 4.41Å; L478-R518 HydrophobicContact CD1-CB 4.12Å; L478-R518 HydrophobicContact CG-CB 4.34Å; L478-R518 VanDerWaalsContact O-CD 3.3Å; L478-R518 WeakPolarHBondContact O-CD 3.23Å; L478-R518 VanDerWaalsContact O-CG 3.23Å; L478-R518 WeakPolarHBondContact O-CG 3.26Å
479H92.1Very high92.4Very high27 Ų2773 Ų7313%0.12536%0.355CS..Hα-helixtrans-62.1-43.5177173.475.6000111.5L475 Q476 E477 R518 A519 K520 F547L475-H479 WeakPolarHBondContact O-CB 3.2Å; L475-H479 PolarHBondContact O-N 2.97Å; Q476-H479 WeakPolarHBondContact O-CB 3.39Å; Q476-H479 PolarHBondContact O-N 3.28Å; E477-H479 PolarHBondContact O-N 2.85Å; H479-R518 PolarHBondContact O-NE 3.36Å; H479-R518 PolarHBondContact O-NH2 3.46Å; H479-R518 VanDerWaalsContact O-NH2 3.08Å; H479-A519 PolarHBondContact ND1-O 3.45Å; H479-K520 PolarHBondContact CE1-O 3.21Å; H479-F547 HydrophobicContact CB-CD2 4.07Å; H479-F547 HydrophobicContact CB-CE2 4.42Å; H479-F547 HydrophobicContact CB-CG 4.4Å; H479-F547 AromaticContact CG-CG 3.98Å
480D93.4Very high92.7Very high91 Ų9167.1 Ų67.149%0.48733%0.329SS..Hα-helixtrans-83.5-10.9-177.5-64.2-33.5000113.7Q476 E477 D482Q476-D480 PolarHBondContact NE2-OD2 2.97Å; Q476-D480 PolarHBondContact O-N 3.46Å; E477-D480 PolarHBondContact O-N 3.49Å; D480-D482 PolarHBondContact O-N 2.9Å
481D93.3Very high93Very high32 Ų3261.6 Ų61.617%0.17130%0.3CS..  trans-76.491.2-178.2-166.4-10.6000113.2E477 R483 I484 R518E477-D481 WeakPolarHBondContact O-CB 3.1Å; E477-D481 PolarHBondContact O-N 3.05Å; D481-R483 PolarHBondContact O-N 3.49Å; D481-R483 VanDerWaalsContact O-N 3.12Å; D481-R483 WeakPolarHBondContact OD1-CB 3.39Å; D481-R483 WeakPolarHBondContact OD1-CG 3.46Å; D481-R483 IonicContact OD1-CZ 3.63Å; D481-R483 PolarHBondContact OD1-N 3.48Å; D481-R483 IonicContact OD1-NE 2.81Å; D481-R483 PolarHBondContact OD1-NE 3.24Å; D481-R483 IonicContact OD1-NH2 3.75Å; D481-R483 IonicContact OD2-CZ 3.43Å; D481-R483 IonicContact OD2-NE 3.32Å; D481-R483 PolarHBondContact OD2-NE 3.08Å; D481-R483 IonicContact OD2-NH2 3.58Å; D481-R483 PolarHBondContact OD2-NH2 3.07Å; D481-I484 HydrophobicContact CB-CD1 4.38Å; D481-I484 PolarHBondContact O-N 3.17Å; D481-I484 VanDerWaalsContact O-N 3.13Å; D481-R518 WeakPolarHBondContact O-CD 3.42Å; D481-R518 PolarHBondContact O-NE 3.43Å
482D91.6Very high93.1Very high135 Ų13558.5 Ų58.572%0.72229%0.288SS*.THydrogen-bonded Turntrans-63.6-11.9176.9-76.1-30.7000115.2D480 I484 R518D480-D482 PolarHBondContact O-N 2.9Å; D482-I484 PolarHBondContact O-N 2.9Å; D482-R518 IonicContact OD1-CZ 3.42Å; D482-R518 IonicContact OD1-NH1 3.44Å; D482-R518 PolarHBondContact OD1-NH1 2.86Å; D482-R518 IonicContact OD1-NH2 2.71Å; D482-R518 PolarHBondContact OD1-NH2 3.38Å
483R92.9Very high93.3Very high213 Ų21356.7 Ų56.780%0.80428%0.278SS*.THydrogen-bonded Turntrans-72.4-22.8175-54.9170.7-65.6-176.71.7111.6D481D481-R483 PolarHBondContact O-N 3.49Å; D481-R483 VanDerWaalsContact O-N 3.12Å; D481-R483 WeakPolarHBondContact OD1-CB 3.39Å; D481-R483 WeakPolarHBondContact OD1-CG 3.46Å; D481-R483 IonicContact OD1-CZ 3.63Å; D481-R483 PolarHBondContact OD1-N 3.48Å; D481-R483 IonicContact OD1-NE 2.81Å; D481-R483 PolarHBondContact OD1-NE 3.24Å; D481-R483 IonicContact OD1-NH2 3.75Å; D481-R483 IonicContact OD2-CZ 3.43Å; D481-R483 IonicContact OD2-NE 3.32Å; D481-R483 PolarHBondContact OD2-NE 3.08Å; D481-R483 IonicContact OD2-NH2 3.58Å; D481-R483 PolarHBondContact OD2-NH2 3.07Å
484I90.8Very high93.2Very high35 Ų3553.9 Ų53.918%0.17926%0.259CS..SBendtrans-96.7124.2178.8-59171.7000107.8L478 D481 D482 L516 R518L478-I484 HydrophobicContact CD1-CD1 3.58Å; D481-I484 HydrophobicContact CB-CD1 4.38Å; D481-I484 PolarHBondContact O-N 3.17Å; D481-I484 VanDerWaalsContact O-N 3.13Å; D482-I484 PolarHBondContact O-N 2.9Å; I484-L516 HydrophobicContact CD1-CD1 3.95Å; I484-R518 HydrophobicContact CB-CB 4.39Å; I484-R518 HydrophobicContact CG2-CB 3.86Å; I484-R518 WeakPolarHBondContact O-CD 3.44Å; I484-R518 PolarHBondContact O-NH1 2.79Å
485P92.8Very high93Very high100 Ų10049.7 Ų49.765%0.64924%0.24SC*.PPolyproline II helixtrans-66.3148175.327.5-33.7000110.4Y487P485-Y487 PolarHBondContact O-N 2.93Å
486Y91.8Very high92.3Very high100 Ų10053.3 Ų53.339%0.39226%0.263SS..PPolyproline II helixtrans-56.8129173.1-72-63000110.4R518 K520Y486-R518 CarbonylContact C-O 3.49Å; Y486-R518 WeakPolarHBondContact CA-O 3.37Å; Y486-R518 HydrophobicContact CD1-CG 3.94Å; Y486-R518 HydrophobicContact CE1-CG 4.1Å; Y486-R518 PolarHBondContact OH-NH2 3.26Å; Y486-K520 HydrophobicContact CD1-CG 4.39Å; Y486-K520 HydrophobicContact CE1-CG 3.72Å; Y486-K520 HydrophobicContact CE2-CG 4.43Å
487Y92.6Very high91.7Very high20 Ų2054.9 Ų54.98%0.07827%0.266CS..SBendtrans-70.3-41.5168.3-179.9-103.1000110.7P485 V491 K517 R518 R599 V601P485-Y487 PolarHBondContact O-N 2.93Å; Y487-V491 HydrophobicContact CD1-CG2 3.77Å; Y487-V491 HydrophobicContact CE1-CG2 4.47Å; Y487-K517 HydrophobicContact CD1-CB 4.14Å; Y487-K517 HydrophobicContact CD1-CD 4.26Å; Y487-K517 HydrophobicContact CD1-CG 4.07Å; Y487-K517 HydrophobicContact CD2-CG 4.46Å; Y487-K517 HydrophobicContact CE1-CD 4.09Å; Y487-K517 HydrophobicContact CE1-CG 4.27Å; Y487-K517 HydrophobicContact CG-CB 4.2Å; Y487-K517 HydrophobicContact CG-CG 4.16Å; Y487-R518 PolarHBondContact N-O 2.76Å; Y487-R599 HydrophobicContact CE1-CG 4.14Å; Y487-R599 VanDerWaalsContact CZ-CD 3.5Å; Y487-R599 WeakPolarHBondContact OH-CD 3.24Å; Y487-V601 HydrophobicContact CE1-CG2 4.19Å
488Q92.6Very high91.1Very high18 Ų1848.5 Ų48.58%0.08424%0.236CC..EExtended strand (participates in β ladder)trans-163.5161.5168.7-16271.3-1800109.6V491 A519 D597 F598 R599 E644Q488-V491 HydrophobicContact CB-CG2 3.96Å; Q488-A519 WeakPolarHBondContact O-CA 3.39Å; Q488-A519 WeakPolarHBondContact O-CB 3.42Å; Q488-D597 HydrophobicContact CG-CB 4.42Å; Q488-D597 WeakPolarHBondContact CG-OD1 3.44Å; Q488-F598 PolarHBondContact NE2-O 3.13Å; Q488-R599 HydrophobicContact CB-CB 3.89Å; Q488-R599 HydrophobicContact CG-CB 3.7Å; Q488-E644 PolarHBondContact NE2-OE2 3Å; Q488-E644 VanDerWaalsContact NE2-OE2 3.16Å
489T92.5Very high90.2Very high24 Ų2455.3 Ų55.315%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-61.7-51.3171.5-49.60000111.5K520 V521 Q583 D597T489-K520 HydrophobicContact CG2-CB 4.05Å; T489-K520 HydrophobicContact CG2-CD 3.98Å; T489-K520 HydrophobicContact CG2-CG 4.13Å; T489-K520 WeakPolarHBondContact O-CB 3.4Å; T489-K520 PolarHBondContact O-N 3.46Å; T489-V521 PolarHBondContact O-N 3.42Å; T489-Q583 HydrophobicContact CG2-CB 4.13Å; T489-Q583 HydrophobicContact CG2-CG 4.04Å; T489-D597 WeakPolarHBondContact CB-OD1 3.34Å; T489-D597 PolarHBondContact N-OD1 3.05Å; T489-D597 PolarHBondContact OG1-OD1 3.5Å
490N94.5Very high89.8Confident0 Ų056.7 Ų56.70%029%0.29CS..EExtended strand (participates in β ladder)trans-118.6115.8177.6-58.4-80.3000110.1V521 W523 Q583 D597 F598 R599N490-V521 WeakPolarHBondContact CA-O 3.16Å; N490-W523 PolarHBondContact OD1-NE1 2.99Å; N490-Q583 PolarHBondContact ND2-OE1 3.16Å; N490-Q583 PolarHBondContact OD1-NE2 3.23Å; N490-Q583 PolarHBondContact OD1-OE1 2.79Å; N490-D597 WeakPolarHBondContact CB-O 3.13Å; N490-D597 PolarHBondContact N-O 3.17Å; N490-D597 PolarHBondContact ND2-O 3.09Å; N490-D597 VanDerWaalsContact ND2-O 3.12Å; N490-F598 HydrophobicContact CB-CD1 3.66Å; N490-F598 HydrophobicContact CB-CE1 3.94Å; N490-F598 HydrophobicContact CB-CG 4.37Å; N490-F598 CarbonylContact O-C 2.91Å; N490-F598 WeakPolarHBondContact O-CA 3.31Å; N490-R599 PolarHBondContact O-N 3.07Å
491V95.4Very high89.3Confident0 Ų054.2 Ų54.20%028%0.276CS..EExtended strand (participates in β ladder)trans-101.5122.6174.6176.70000108.5Y487 Q488 F493 K517 A519 V521 Y522 W523 V601Y487-V491 HydrophobicContact CD1-CG2 3.77Å; Y487-V491 HydrophobicContact CE1-CG2 4.47Å; Q488-V491 HydrophobicContact CB-CG2 3.96Å; V491-F493 HydrophobicContact CG1-CD2 4.27Å; V491-F493 HydrophobicContact CG1-CE2 3.57Å; V491-F493 HydrophobicContact CG1-CZ 3.9Å; V491-K517 HydrophobicContact CG1-CD 4.43Å; V491-A519 HydrophobicContact CB-CB 4.08Å; V491-A519 HydrophobicContact CG2-CB 3.56Å; V491-V521 PolarHBondContact N-O 3.48Å; V491-Y522 HydrophobicContact CB-CD1 4.38Å; V491-W523 PolarHBondContact O-N 3.4Å; V491-V601 HydrophobicContact CG1-CG2 3.93Å
492V95.6Very high88.9Confident0 Ų054.1 Ų54.10%028%0.28CS..EExtended strand (participates in β ladder)trans-116.2123.4-171.5-169.80000110.7W523 V525 L567 F598 R599 F600 V601V492-W523 CarbonylContact C-O 3.49Å; V492-W523 WeakPolarHBondContact CA-O 3.49Å; V492-W523 HydrophobicContact CB-CB 4.25Å; V492-W523 HydrophobicContact CG1-CB 4.03Å; V492-W523 HydrophobicContact CG2-CB 4.05Å; V492-W523 HydrophobicContact CG2-CG 4.28Å; V492-V525 HydrophobicContact CG1-CG2 3.8Å; V492-L567 HydrophobicContact CB-CD2 4.37Å; V492-L567 HydrophobicContact CG1-CD2 3.92Å; V492-L567 HydrophobicContact CG2-CD2 3.5Å; V492-F598 HydrophobicContact CG2-CD1 4.01Å; V492-R599 PolarHBondContact N-O 3.03Å; V492-F600 HydrophobicContact CB-CD1 3.7Å; V492-F600 HydrophobicContact CB-CE1 3.89Å; V492-F600 HydrophobicContact CB-CG 4.21Å; V492-F600 HydrophobicContact CG1-CD1 3.68Å; V492-F600 HydrophobicContact CG1-CE1 3.6Å; V492-F600 HydrophobicContact CG1-CZ 4.5Å; V492-F600 HydrophobicContact CG2-CD1 4.38Å; V492-F600 HydrophobicContact CG2-CE1 4.2Å; V492-F600 HydrophobicContact CG2-CZ 4.39Å; V492-F600 CarbonylContact O-C 3.5Å; V492-F600 WeakPolarHBondContact O-CA 3.12Å; V492-V601 PolarHBondContact O-N 2.78Å
493F94.4Very high88.7Confident0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-109.1124.1173.3-65.7-80.7000109.9V491 V495 F507 I511 K517 W523 F524 V525 V601 I603V491-F493 HydrophobicContact CG1-CD2 4.27Å; V491-F493 HydrophobicContact CG1-CE2 3.57Å; V491-F493 HydrophobicContact CG1-CZ 3.9Å; F493-V495 HydrophobicContact CB-CG1 4.35Å; F493-V495 PolarHBondContact O-N 2.87Å; F493-F507 HydrophobicContact CB-CD1 3.77Å; F493-F507 HydrophobicContact CB-CE1 4.12Å; F493-F507 AromaticContact CD1-CD1 3.69Å; F493-F507 HydrophobicContact CD1-CD1 3.69Å; F493-F507 HydrophobicContact CD1-CE1 4.34Å; F493-F507 AromaticContact CG-CD1 3.95Å; F493-F507 HydrophobicContact CG-CD1 3.95Å; F493-I511 HydrophobicContact CE2-CD1 3.7Å; F493-I511 HydrophobicContact CE2-CG1 3.66Å; F493-I511 HydrophobicContact CZ-CD1 4.09Å; F493-I511 HydrophobicContact CZ-CG1 3.57Å; F493-K517 HydrophobicContact CZ-CD 4.16Å; F493-W523 PolarHBondContact N-O 3.03Å; F493-F524 HydrophobicContact CB-CD1 3.89Å; F493-F524 HydrophobicContact CB-CE1 4.18Å; F493-F524 HydrophobicContact CD2-CD1 4.13Å; F493-F524 AromaticContact CD2-CE1 3.65Å; F493-F524 HydrophobicContact CD2-CE1 3.65Å; F493-F524 HydrophobicContact CD2-CZ 4.17Å; F493-F524 HydrophobicContact CE2-CE1 4.34Å; F493-F524 HydrophobicContact CG-CD1 4.33Å; F493-F524 HydrophobicContact CG-CE1 4.12Å; F493-V525 PolarHBondContact O-N 2.58Å; F493-V601 HydrophobicContact CD1-CB 3.84Å; F493-V601 HydrophobicContact CD1-CG1 4.14Å; F493-V601 HydrophobicContact CE1-CB 3.54Å; F493-V601 HydrophobicContact CE1-CG1 3.57Å; F493-V601 HydrophobicContact CE1-CG2 4.23Å; F493-V601 HydrophobicContact CZ-CB 4.21Å; F493-V601 HydrophobicContact CZ-CG1 4.4Å; F493-V601 HydrophobicContact CZ-CG2 4.43Å; F493-I603 HydrophobicContact CD1-CD1 4.36Å; F493-I603 HydrophobicContact CE1-CD1 4.42Å
494L90.9Very high88.3Confident24 Ų2437.9 Ų37.913%0.12621%0.209CC..EExtended strand (participates in β ladder)trans-83.9109.4169.4-59.7-172.7000108.8V525 V563 M602 F638 I640L494-V525 WeakPolarHBondContact CA-O 3.36Å; L494-V525 HydrophobicContact CD2-CB 3.98Å; L494-V525 HydrophobicContact CD2-CG1 4.38Å; L494-V563 HydrophobicContact CD2-CG1 4Å; L494-M602 HydrophobicContact CB-SD 4.23Å; L494-M602 HydrophobicContact CD1-CE 4.17Å; L494-M602 HydrophobicContact CD1-SD 3.73Å; L494-M602 HydrophobicContact CG-SD 4.02Å; L494-F638 HydrophobicContact CD1-CB 3.9Å; L494-F638 HydrophobicContact CD1-CD1 4.06Å; L494-F638 HydrophobicContact CD1-CD2 3.36Å; L494-F638 HydrophobicContact CD1-CE1 4.42Å; L494-F638 HydrophobicContact CD1-CE2 3.79Å; L494-F638 HydrophobicContact CD1-CG 3.5Å; L494-F638 HydrophobicContact CD1-CZ 4.3Å; L494-I640 HydrophobicContact CD1-CD1 4.23Å
495V89.1Confident88.1Confident6 Ų639.7 Ų39.74%0.03622%0.217CC..  trans-103.5135-173.6-710000110.4F493 R497 L498 I503 F507 F524 V525 N526F493-V495 HydrophobicContact CB-CG1 4.35Å; F493-V495 PolarHBondContact O-N 2.87Å; V495-R497 PolarHBondContact O-N 3Å; V495-L498 HydrophobicContact CB-CG 4.48Å; V495-L498 HydrophobicContact CG2-CD1 3.57Å; V495-L498 HydrophobicContact CG2-CD2 3.76Å; V495-L498 HydrophobicContact CG2-CG 3.42Å; V495-L498 VanDerWaalsContact CG2-CG 3.42Å; V495-I503 HydrophobicContact CG1-CD1 3.98Å; V495-F507 HydrophobicContact CB-CE2 4.37Å; V495-F507 HydrophobicContact CB-CZ 4.21Å; V495-F507 HydrophobicContact CG1-CD1 3.85Å; V495-F507 HydrophobicContact CG1-CD2 3.95Å; V495-F507 HydrophobicContact CG1-CE1 3.67Å; V495-F507 HydrophobicContact CG1-CE2 3.79Å; V495-F507 HydrophobicContact CG1-CG 4.01Å; V495-F507 HydrophobicContact CG1-CZ 3.66Å; V495-F524 HydrophobicContact CG1-CB 4.35Å; V495-F524 HydrophobicContact CG1-CD1 3.97Å; V495-F524 HydrophobicContact CG2-CB 4.23Å; V495-V525 WeakPolarHBondContact CG2-O 3.29Å; V495-V525 PolarHBondContact N-O 3.41Å; V495-N526 HydrophobicContact CG2-CB 4.23Å; V495-N526 PolarHBondContact O-ND2 2.93Å
496P79.4Confident87.8Confident77 Ų7736.2 Ų36.250%0.519%0.192SC..SBendtrans-68.6-24-175.326.2-33.9000113.2N526P496-N526 PolarHBondContact O-ND2 3.46Å
497R81.4Confident87.7Confident100 Ų10031.7 Ų31.738%0.37717%0.174SC..  trans-157141.2-176.831.6179.7-167160.916.2109.5D465 V495 N526D465-R497 IonicContact OD1-NH2 3.51Å; D465-R497 PolarHBondContact OD1-NH2 2.78Å; D465-R497 IonicContact OD2-CZ 3.43Å; D465-R497 IonicContact OD2-NH2 2.66Å; D465-R497 PolarHBondContact OD2-NH2 3.11Å; D465-R497 VanDerWaalsContact OD2-NH2 3.13Å; V495-R497 PolarHBondContact O-N 3Å; R497-N526 PolarHBondContact N-ND2 2.87Å
498L81.7Confident87.6Confident5 Ų530.9 Ų30.93%0.02617%0.172CC..  trans-133.884.6176.6-79.8172.4000107.8V495 F524 N526 K550 K552V495-L498 HydrophobicContact CB-CG 4.48Å; V495-L498 HydrophobicContact CG2-CD1 3.57Å; V495-L498 HydrophobicContact CG2-CD2 3.76Å; V495-L498 HydrophobicContact CG2-CG 3.42Å; V495-L498 VanDerWaalsContact CG2-CG 3.42Å; L498-F524 WeakPolarHBondContact CD1-O 3.35Å; L498-F524 HydrophobicContact CD2-CB 4.23Å; L498-N526 HydrophobicContact CB-CB 4.16Å; L498-N526 HydrophobicContact CD1-CB 3.56Å; L498-N526 HydrophobicContact CG-CB 3.91Å; L498-K550 HydrophobicContact CD1-CB 4.4Å; L498-K550 HydrophobicContact CD2-CD 4.46Å; L498-K550 HydrophobicContact CD2-CG 4.39Å; L498-K552 HydrophobicContact CB-CG 4.44Å; L498-K552 HydrophobicContact CD1-CG 4.45Å; L498-K552 WeakPolarHBondContact O-CE 3.37Å; L498-K552 PolarHBondContact O-NZ 3.42Å
499E75.6Confident87.4Confident155 Ų15533.2 Ų33.272%0.72418%0.18SC*.BIsolated β-bridgetrans-115.5111.8177.9-71.2-177.2-171.600109.4D501 A502E499-D501 PolarHBondContact O-N 2.67Å; E499-A502 PolarHBondContact O-N 3.45Å
500G82.6Confident87.4Confident56 Ų5632.1 Ų32.158%0.57717%0.173SC*.THydrogen-bonded Turntrans60.3-129.5-175.500000112.9K550G500-K550 PolarHBondContact O-NZ 2.89Å
501D84.1Confident87.3Confident39 Ų3932.1 Ų32.121%0.20917%0.173CC..THydrogen-bonded Turntrans-96.8-4.5-176.1-67.7-30.5000114.1Y467 F468 K469 E499 M543 K550Y467-D501 HydrophobicContact CD1-CB 4.23Å; F468-D501 WeakPolarHBondContact CB-O 3.28Å; F468-D501 PolarHBondContact N-O 3.07Å; K469-D501 WeakPolarHBondContact CD-OD2 3.45Å; K469-D501 WeakPolarHBondContact CE-OD2 3.12Å; K469-D501 IonicContact NZ-OD2 2.9Å; K469-D501 PolarHBondContact NZ-OD2 3.47Å; E499-D501 PolarHBondContact O-N 2.67Å; D501-M543 VanDerWaalsContact OD1-CE 3.28Å; D501-M543 WeakPolarHBondContact OD1-CE 3.4Å; D501-M543 VanDerWaalsContact OD1-SD 3.41Å; D501-K550 IonicContact OD1-NZ 2.99Å; D501-K550 PolarHBondContact OD1-NZ 3.45Å
502A85.3Confident87.2Confident30 Ų3033.1 Ų33.125%0.24818%0.178CC..EExtended strand (participates in β ladder)trans-78.7137.7-178.200000111.6D465 V466 E499D465-A502 HydrophobicContact CB-CB 4.48Å; V466-A502 WeakPolarHBondContact O-CA 3.49Å; E499-A502 PolarHBondContact O-N 3.45Å
503I87.1Confident86.9Confident1 Ų138.2 Ų38.21%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-138.6144.5169.3-170.7168.2000110V466 F468 V495 Q505 F507 I508 F524V466-I503 HydrophobicContact CG2-CG2 4.08Å; V466-I503 WeakPolarHBondContact CG2-O 3.3Å; V466-I503 PolarHBondContact N-O 3.37Å; V466-I503 PolarHBondContact O-N 3.03Å; F468-I503 HydrophobicContact CD1-CG2 4.27Å; F468-I503 HydrophobicContact CD2-CB 3.64Å; F468-I503 HydrophobicContact CD2-CD1 4.42Å; F468-I503 HydrophobicContact CD2-CG2 3.51Å; F468-I503 HydrophobicContact CE1-CD1 4.19Å; F468-I503 HydrophobicContact CE1-CG2 4.23Å; F468-I503 HydrophobicContact CE2-CB 3.34Å; F468-I503 HydrophobicContact CE2-CD1 3.33Å; F468-I503 HydrophobicContact CE2-CG1 3.82Å; F468-I503 HydrophobicContact CE2-CG2 3.52Å; F468-I503 HydrophobicContact CG-CG2 3.94Å; F468-I503 HydrophobicContact CZ-CB 4Å; F468-I503 HydrophobicContact CZ-CD1 3.17Å; F468-I503 HydrophobicContact CZ-CG1 4.11Å; F468-I503 HydrophobicContact CZ-CG2 3.87Å; V495-I503 HydrophobicContact CG1-CD1 3.98Å; I503-Q505 PolarHBondContact O-N 3.5Å; I503-F507 HydrophobicContact CD1-CB 3.57Å; I503-F507 HydrophobicContact CD1-CD2 3.94Å; I503-F507 HydrophobicContact CD1-CG 3.88Å; I503-F507 HydrophobicContact CG1-CB 4.1Å; I503-F507 HydrophobicContact CG1-CD2 3.78Å; I503-F507 HydrophobicContact CG1-CG 4.23Å; I503-I508 HydrophobicContact CG2-CD1 4.18Å; I503-I508 HydrophobicContact CG2-CG1 3.98Å; I503-F524 HydrophobicContact CD1-CD1 3.39Å; I503-F524 HydrophobicContact CD1-CE1 3.52Å; I503-F524 HydrophobicContact CD1-CG 4.21Å; I503-F524 HydrophobicContact CD1-CZ 4.42Å
504P84.7Confident86.6Confident6 Ų641.9 Ų41.94%0.03922%0.222CC..EExtended strand (participates in β ladder)trans-57131.4171.9-26.736.2000111.4Q506 F507P504-Q506 HydrophobicContact CB-CG 4.13Å; P504-Q506 PolarHBondContact O-N 3.19Å; P504-F507 HydrophobicContact CB-CD2 3.87Å; P504-F507 HydrophobicContact CB-CE2 3.89Å; P504-F507 HydrophobicContact CG-CD2 4.2Å; P504-F507 HydrophobicContact CG-CE2 3.94Å; P504-F507 WeakPolarHBondContact O-CD2 3.31Å; P504-F507 PolarHBondContact O-N 2.85Å; P504-F507 VanDerWaalsContact O-N 3.13Å
505Q85.8Confident86.5Confident72 Ų7249 Ų4934%0.33625%0.247SC..Hα-helixtrans-51.8-32.4-174.4-173.4-177.212.800113.6Q464 V466 I503 F507 I508 Y509Q464-Q505 VanDerWaalsContact O-CB 3.29Å; Q464-Q505 WeakPolarHBondContact O-CB 3.36Å; Q464-Q505 PolarHBondContact O-N 3.05Å; V466-Q505 HydrophobicContact CG1-CB 3.93Å; V466-Q505 HydrophobicContact CG1-CG 3.96Å; V466-Q505 HydrophobicContact CG2-CB 4.32Å; I503-Q505 PolarHBondContact O-N 3.5Å; Q505-F507 PolarHBondContact O-N 3.21Å; Q505-F507 VanDerWaalsContact O-N 3.13Å; Q505-I508 PolarHBondContact O-N 3.25Å; Q505-Y509 WeakPolarHBondContact O-CB 3.44Å; Q505-Y509 PolarHBondContact O-N 3.22Å
506Q85.9Confident86.6Confident27 Ų2752.4 Ų52.413%0.12626%0.264CS..Hα-helixtrans-56-31-178.564.4-173.34.900114.8P504 S510 I603 E605 V650P504-Q506 HydrophobicContact CB-CG 4.13Å; P504-Q506 PolarHBondContact O-N 3.19Å; Q506-S510 WeakPolarHBondContact O-CB 3.36Å; Q506-S510 PolarHBondContact O-N 3.31Å; Q506-I603 HydrophobicContact CB-CD1 4.33Å; Q506-I603 HydrophobicContact CB-CG2 4.33Å; Q506-I603 HydrophobicContact CG-CD1 4.08Å; Q506-I603 HydrophobicContact CG-CG2 4.18Å; Q506-I603 WeakPolarHBondContact O-CD1 3.31Å; Q506-E605 VanDerWaalsContact CD-OE1 3.28Å; Q506-E605 PolarHBondContact NE2-OE1 3.42Å; Q506-E605 VanDerWaalsContact OE1-CD 3.32Å; Q506-E605 PolarHBondContact OE1-OE1 3.23Å; Q506-V650 HydrophobicContact CB-CB 4.47Å; Q506-V650 HydrophobicContact CB-CG1 3.94Å
507F90Very high87.3Confident5 Ų548.7 Ų48.72%0.02224%0.241CC..Hα-helixtrans-71-40.3177.8-64.7-77.3000111.2F493 V495 I503 P504 Q505 S510 I511 F524 I603F493-F507 HydrophobicContact CB-CD1 3.77Å; F493-F507 HydrophobicContact CB-CE1 4.12Å; F493-F507 AromaticContact CD1-CD1 3.69Å; F493-F507 HydrophobicContact CD1-CD1 3.69Å; F493-F507 HydrophobicContact CD1-CE1 4.34Å; F493-F507 AromaticContact CG-CD1 3.95Å; F493-F507 HydrophobicContact CG-CD1 3.95Å; V495-F507 HydrophobicContact CB-CE2 4.37Å; V495-F507 HydrophobicContact CB-CZ 4.21Å; V495-F507 HydrophobicContact CG1-CD1 3.85Å; V495-F507 HydrophobicContact CG1-CD2 3.95Å; V495-F507 HydrophobicContact CG1-CE1 3.67Å; V495-F507 HydrophobicContact CG1-CE2 3.79Å; V495-F507 HydrophobicContact CG1-CG 4.01Å; V495-F507 HydrophobicContact CG1-CZ 3.66Å; I503-F507 HydrophobicContact CD1-CB 3.57Å; I503-F507 HydrophobicContact CD1-CD2 3.94Å; I503-F507 HydrophobicContact CD1-CG 3.88Å; I503-F507 HydrophobicContact CG1-CB 4.1Å; I503-F507 HydrophobicContact CG1-CD2 3.78Å; I503-F507 HydrophobicContact CG1-CG 4.23Å; P504-F507 HydrophobicContact CB-CD2 3.87Å; P504-F507 HydrophobicContact CB-CE2 3.89Å; P504-F507 HydrophobicContact CG-CD2 4.2Å; P504-F507 HydrophobicContact CG-CE2 3.94Å; P504-F507 WeakPolarHBondContact O-CD2 3.31Å; P504-F507 PolarHBondContact O-N 2.85Å; P504-F507 VanDerWaalsContact O-N 3.13Å; Q505-F507 PolarHBondContact O-N 3.21Å; Q505-F507 VanDerWaalsContact O-N 3.13Å; F507-S510 PolarHBondContact O-N 3.29Å; F507-I511 WeakPolarHBondContact O-CG1 3.42Å; F507-I511 PolarHBondContact O-N 3.48Å; F507-F524 HydrophobicContact CB-CE1 4.21Å; F507-I603 HydrophobicContact CB-CD1 4.38Å; F507-I603 HydrophobicContact CD1-CD1 3.4Å; F507-I603 HydrophobicContact CD1-CG1 4.31Å; F507-I603 HydrophobicContact CE1-CD1 3.72Å; F507-I603 HydrophobicContact CE1-CG1 4.25Å; F507-I603 HydrophobicContact CG-CD1 3.94Å; F507-I603 HydrophobicContact CZ-CD1 4.49Å
508I90.8Very high88Confident4 Ų444.5 Ų44.52%0.02123%0.225CC..Hα-helixtrans-68.9-44.9173.9-56.9-57.1000110.6V466 F468 Y471 L475 I503 Q505 S510 I511 L512V466-I508 HydrophobicContact CG2-CG1 3.97Å; F468-I508 HydrophobicContact CD1-CD1 4.06Å; F468-I508 HydrophobicContact CE1-CD1 3.83Å; Y471-I508 HydrophobicContact CD1-CG2 3.66Å; Y471-I508 HydrophobicContact CD2-CG2 4.16Å; Y471-I508 HydrophobicContact CE1-CG2 4.01Å; Y471-I508 HydrophobicContact CE2-CG2 4.48Å; Y471-I508 HydrophobicContact CG-CG2 3.73Å; L475-I508 HydrophobicContact CD1-CD1 4.35Å; I503-I508 HydrophobicContact CG2-CD1 4.18Å; I503-I508 HydrophobicContact CG2-CG1 3.98Å; Q505-I508 PolarHBondContact O-N 3.25Å; I508-S510 VanDerWaalsContact C-N 3.28Å; I508-S510 PolarHBondContact O-N 3.11Å; I508-I511 PolarHBondContact O-N 2.54Å; I508-L512 HydrophobicContact CG2-CD1 3.7Å; I508-L512 HydrophobicContact CG2-CG 4.41Å; I508-L512 PolarHBondContact O-N 2.82Å
509Y89.1Confident88.6Confident67 Ų6744.2 Ų44.226%0.26322%0.223SC..Hα-helixtrans-56.7-40174.6178.1-97.2000112.1Q505 I511 D513 K514 V650Q505-Y509 WeakPolarHBondContact O-CB 3.44Å; Q505-Y509 PolarHBondContact O-N 3.22Å; Y509-I511 VanDerWaalsContact C-N 3.32Å; Y509-I511 PolarHBondContact O-N 3.05Å; Y509-D513 HydrophobicContact CD2-CB 3.4Å; Y509-D513 VanDerWaalsContact CD2-CB 3.4Å; Y509-D513 WeakPolarHBondContact CD2-OD2 3.29Å; Y509-D513 HydrophobicContact CE2-CB 3.35Å; Y509-D513 WeakPolarHBondContact CE2-OD2 3.35Å; Y509-D513 HydrophobicContact CG-CB 4.11Å; Y509-D513 WeakPolarHBondContact O-CA 3.35Å; Y509-D513 WeakPolarHBondContact O-CB 3.42Å; Y509-D513 PolarHBondContact O-N 2.91Å; Y509-K514 HydrophobicContact CD1-CG 4.28Å; Y509-K514 HydrophobicContact CE1-CD 3.84Å; Y509-K514 HydrophobicContact CE1-CG 3.97Å; Y509-K514 PolarHBondContact O-N 3.07Å; Y509-V650 HydrophobicContact CD1-CG1 3.78Å; Y509-V650 HydrophobicContact CD1-CG2 4.16Å; Y509-V650 HydrophobicContact CE1-CG1 4.08Å
510S91.8Very high89.4Confident0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-61-40.1173.8175.20000111.8Q506 F507 I508 K517 E648Q506-S510 WeakPolarHBondContact O-CB 3.36Å; Q506-S510 PolarHBondContact O-N 3.31Å; F507-S510 PolarHBondContact O-N 3.29Å; I508-S510 VanDerWaalsContact C-N 3.28Å; I508-S510 PolarHBondContact O-N 3.11Å; S510-K517 PolarHBondContact O-NZ 3.12Å; S510-K517 WeakPolarHBondContact OG-CE 3.17Å; S510-K517 PolarHBondContact OG-NZ 3.42Å; S510-K517 VanDerWaalsContact OG-NZ 3.13Å; S510-E648 PolarHBondContact OG-OE2 3.03Å
511I93.2Very high90Very high0 Ų038.1 Ų38.10%018%0.179CC..Hα-helixtrans-73.5-43.3-178.1-62.7165.8000111.7L475 L478 F493 F507 I508 Y509 L516 K517 Y522 F524L475-I511 HydrophobicContact CD2-CB 4.36Å; L475-I511 HydrophobicContact CD2-CD1 4.29Å; L475-I511 HydrophobicContact CD2-CG2 3.59Å; L478-I511 HydrophobicContact CD2-CG2 3.75Å; F493-I511 HydrophobicContact CE2-CD1 3.7Å; F493-I511 HydrophobicContact CE2-CG1 3.66Å; F493-I511 HydrophobicContact CZ-CD1 4.09Å; F493-I511 HydrophobicContact CZ-CG1 3.57Å; F507-I511 WeakPolarHBondContact O-CG1 3.42Å; F507-I511 PolarHBondContact O-N 3.48Å; I508-I511 PolarHBondContact O-N 2.54Å; Y509-I511 VanDerWaalsContact C-N 3.32Å; Y509-I511 PolarHBondContact O-N 3.05Å; I511-L516 WeakPolarHBondContact O-CA 3.39Å; I511-K517 HydrophobicContact CG2-CB 4.47Å; I511-K517 PolarHBondContact O-N 3.36Å; I511-Y522 HydrophobicContact CD1-CD1 4.03Å; I511-Y522 HydrophobicContact CD1-CE1 4.37Å; I511-Y522 HydrophobicContact CG1-CD1 4.46Å; I511-Y522 HydrophobicContact CG1-CE1 4.46Å; I511-Y522 HydrophobicContact CG2-CE1 3.9Å; I511-F524 HydrophobicContact CD1-CE1 4.43Å; I511-F524 HydrophobicContact CD1-CZ 3.89Å
512L92.8Very high90.5Very high21 Ų2136.3 Ų36.311%0.1117%0.169CC..Hα-helixtrans-100.1-35.6-167.2-63.5177000114.7Y471 Q474 L475 L478 I508 L516Y471-L512 HydrophobicContact CD1-CD1 4.01Å; Q474-L512 HydrophobicContact CG-CD1 4.32Å; Q474-L512 HydrophobicContact CG-CD2 4.18Å; Q474-L512 VanDerWaalsContact OE1-CD1 3.3Å; L475-L512 HydrophobicContact CD2-CD2 4.13Å; L475-L512 HydrophobicContact CD2-CG 4.41Å; L478-L512 HydrophobicContact CD2-CD2 4.05Å; I508-L512 HydrophobicContact CG2-CD1 3.7Å; I508-L512 HydrophobicContact CG2-CG 4.41Å; I508-L512 PolarHBondContact O-N 2.82Å; L512-L516 WeakPolarHBondContact O-CD2 3.2Å
513D89Confident91Very high108 Ų10834.9 Ų34.958%0.57816%0.157SC*.THydrogen-bonded Turntrans-111.1-14.7-167.5-69.8-8.7000114Y509Y509-D513 HydrophobicContact CD2-CB 3.4Å; Y509-D513 VanDerWaalsContact CD2-CB 3.4Å; Y509-D513 WeakPolarHBondContact CD2-OD2 3.29Å; Y509-D513 HydrophobicContact CE2-CB 3.35Å; Y509-D513 WeakPolarHBondContact CE2-OD2 3.35Å; Y509-D513 HydrophobicContact CG-CB 4.11Å; Y509-D513 WeakPolarHBondContact O-CA 3.35Å; Y509-D513 WeakPolarHBondContact O-CB 3.42Å; Y509-D513 PolarHBondContact O-N 2.91Å
514K87.9Confident91.4Very high76 Ų7634.8 Ų34.833%0.3316%0.157SC..SBendtrans-84.6-145.6167.4-66.8-61.2-150.6-171.70109.4Y509 L516 T649Y509-K514 HydrophobicContact CD1-CG 4.28Å; Y509-K514 HydrophobicContact CE1-CD 3.84Å; Y509-K514 HydrophobicContact CE1-CG 3.97Å; Y509-K514 PolarHBondContact O-N 3.07Å; K514-L516 PolarHBondContact O-N 3.46Å; K514-T649 VanDerWaalsContact CE-O 3.29Å; K514-T649 WeakPolarHBondContact CE-O 3.38Å; K514-T649 PolarHBondContact NZ-O 3.42Å
515R88.4Confident91.9Very high173 Ų17334.6 Ų34.665%0.65316%0.155SC*.SBendtrans-65.2116.6164.1179.5177.3179.2178.50.1107.6K517R515-K517 WeakPolarHBondContact O-CG 3.29Å; R515-K517 PolarHBondContact O-N 2.99Å; R515-K517 PolarHBondContact O-NZ 3.49Å
516L92.8Very high92.2Very high78 Ų7832 Ų3241%0.40814%0.144SC..  trans-47.3125.4176-72.6170000110.5L478 I484 I511 L512 K514L478-L516 HydrophobicContact CD1-CB 4.46Å; L478-L516 HydrophobicContact CD1-CD2 4.41Å; I484-L516 HydrophobicContact CD1-CD1 3.95Å; I511-L516 WeakPolarHBondContact O-CA 3.39Å; L512-L516 WeakPolarHBondContact O-CD2 3.2Å; K514-L516 PolarHBondContact O-N 3.46Å
517K94Very high92.4Very high0 Ų032 Ų320%015%0.145CC..  trans-10859.8-171.7-61.3-173.9173.856.20112.8Y487 V491 F493 S510 I511 R515 A519 Y522 V601 E648Y487-K517 HydrophobicContact CD1-CB 4.14Å; Y487-K517 HydrophobicContact CD1-CD 4.26Å; Y487-K517 HydrophobicContact CD1-CG 4.07Å; Y487-K517 HydrophobicContact CD2-CG 4.46Å; Y487-K517 HydrophobicContact CE1-CD 4.09Å; Y487-K517 HydrophobicContact CE1-CG 4.27Å; Y487-K517 HydrophobicContact CG-CB 4.2Å; Y487-K517 HydrophobicContact CG-CG 4.16Å; V491-K517 HydrophobicContact CG1-CD 4.43Å; F493-K517 HydrophobicContact CZ-CD 4.16Å; S510-K517 PolarHBondContact O-NZ 3.12Å; S510-K517 WeakPolarHBondContact OG-CE 3.17Å; S510-K517 PolarHBondContact OG-NZ 3.42Å; S510-K517 VanDerWaalsContact OG-NZ 3.13Å; I511-K517 HydrophobicContact CG2-CB 4.47Å; I511-K517 PolarHBondContact O-N 3.36Å; R515-K517 WeakPolarHBondContact O-CG 3.29Å; R515-K517 PolarHBondContact O-N 2.99Å; R515-K517 PolarHBondContact O-NZ 3.49Å; K517-A519 PolarHBondContact O-N 3.27Å; K517-Y522 WeakPolarHBondContact O-CE1 3.44Å; K517-Y522 PolarHBondContact O-OH 3.37Å; K517-Y522 VanDerWaalsContact O-OH 3.08Å; K517-V601 HydrophobicContact CD-CG2 4.32Å; K517-E648 WeakPolarHBondContact CE-OE1 3.21Å; K517-E648 IonicContact NZ-OE1 2.7Å; K517-E648 PolarHBondContact NZ-OE1 3.45Å; K517-E648 IonicContact NZ-OE2 3.51Å; K517-E648 PolarHBondContact NZ-OE2 2.78Å
518R95.2Very high92.3Very high11 Ų1136.1 Ų36.14%0.04217%0.165CC..  trans-56126.8175.3-177.8176.7179.4-130.42111L478 H479 D481 D482 I484 Y486 Y487 Y522L478-R518 HydrophobicContact CD1-CB 4.12Å; L478-R518 HydrophobicContact CG-CB 4.34Å; L478-R518 VanDerWaalsContact O-CD 3.3Å; L478-R518 WeakPolarHBondContact O-CD 3.23Å; L478-R518 VanDerWaalsContact O-CG 3.23Å; L478-R518 WeakPolarHBondContact O-CG 3.26Å; H479-R518 PolarHBondContact O-NE 3.36Å; H479-R518 PolarHBondContact O-NH2 3.46Å; H479-R518 VanDerWaalsContact O-NH2 3.08Å; D481-R518 WeakPolarHBondContact O-CD 3.42Å; D481-R518 PolarHBondContact O-NE 3.43Å; D482-R518 IonicContact OD1-CZ 3.42Å; D482-R518 IonicContact OD1-NH1 3.44Å; D482-R518 PolarHBondContact OD1-NH1 2.86Å; D482-R518 IonicContact OD1-NH2 2.71Å; D482-R518 PolarHBondContact OD1-NH2 3.38Å; I484-R518 HydrophobicContact CB-CB 4.39Å; I484-R518 HydrophobicContact CG2-CB 3.86Å; I484-R518 WeakPolarHBondContact O-CD 3.44Å; I484-R518 PolarHBondContact O-NH1 2.79Å; Y486-R518 CarbonylContact C-O 3.49Å; Y486-R518 WeakPolarHBondContact CA-O 3.37Å; Y486-R518 HydrophobicContact CD1-CG 3.94Å; Y486-R518 HydrophobicContact CE1-CG 4.1Å; Y486-R518 PolarHBondContact OH-NH2 3.26Å; Y487-R518 PolarHBondContact N-O 2.76Å; R518-Y522 WeakPolarHBondContact CA-OH 3.43Å
519A94.7Very high91.8Very high0 Ų039.4 Ų39.40%019%0.185CC..EExtended strand (participates in β ladder)trans-138.7157.1179.100000111.2H479 Q488 V491 K517 V521 Y522H479-A519 PolarHBondContact ND1-O 3.45Å; Q488-A519 WeakPolarHBondContact O-CA 3.39Å; Q488-A519 WeakPolarHBondContact O-CB 3.42Å; V491-A519 HydrophobicContact CB-CB 4.08Å; V491-A519 HydrophobicContact CG2-CB 3.56Å; K517-A519 PolarHBondContact O-N 3.27Å; A519-V521 VanDerWaalsContact C-N 3.33Å; A519-Y522 HydrophobicContact CB-CD1 4.14Å; A519-Y522 HydrophobicContact CB-CE1 3.83Å; A519-Y522 HydrophobicContact CB-CE2 4.36Å; A519-Y522 PolarHBondContact N-OH 3.5Å
520K92.6Very high91.4Very high81 Ų8137.5 Ų37.535%0.35218%0.18SC..EExtended strand (participates in β ladder)trans-70.1-36.5168.3-67.4-160.2-178.3-177.20111H479 Y486 T489 F547H479-K520 PolarHBondContact CE1-O 3.21Å; Y486-K520 HydrophobicContact CD1-CG 4.39Å; Y486-K520 HydrophobicContact CE1-CG 3.72Å; Y486-K520 HydrophobicContact CE2-CG 4.43Å; T489-K520 HydrophobicContact CG2-CB 4.05Å; T489-K520 HydrophobicContact CG2-CD 3.98Å; T489-K520 HydrophobicContact CG2-CG 4.13Å; T489-K520 WeakPolarHBondContact O-CB 3.4Å; T489-K520 PolarHBondContact O-N 3.46Å; K520-F547 VanDerWaalsContact O-CB 3.28Å; K520-F547 WeakPolarHBondContact O-CB 3.3Å
521V95Very high90.4Very high2 Ų243 Ų431%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-143.2130.9178.7-1660000110.8T489 N490 V491 A519 W523 F547 V549 L580 Q583T489-V521 PolarHBondContact O-N 3.42Å; N490-V521 WeakPolarHBondContact CA-O 3.16Å; V491-V521 PolarHBondContact N-O 3.48Å; A519-V521 VanDerWaalsContact C-N 3.33Å; V521-W523 HydrophobicContact CB-CZ2 4.49Å; V521-W523 HydrophobicContact CG1-CD2 4.27Å; V521-W523 HydrophobicContact CG1-CG 4.44Å; V521-W523 HydrophobicContact CG1-CZ2 3.82Å; V521-W523 VanDerWaalsContact CG1-NE1 3.31Å; V521-F547 CarbonylContact C-O 3.46Å; V521-F547 VanDerWaalsContact CA-O 3.3Å; V521-F547 WeakPolarHBondContact CA-O 3.49Å; V521-V549 HydrophobicContact CG1-CB 4.48Å; V521-V549 HydrophobicContact CG1-CG2 3.61Å; V521-L580 HydrophobicContact CG1-CD1 4.28Å; V521-L580 HydrophobicContact CG2-CD1 3.8Å; V521-Q583 VanDerWaalsContact CG2-NE2 3.27Å
522Y95.3Very high89.4Confident0 Ų048.5 Ų48.50%024%0.236CC..EExtended strand (participates in β ladder)trans-99.1119.4170.8-56-87.3000109.4V491 I511 K517 R518 A519 F547 V549V491-Y522 HydrophobicContact CB-CD1 4.38Å; I511-Y522 HydrophobicContact CD1-CD1 4.03Å; I511-Y522 HydrophobicContact CD1-CE1 4.37Å; I511-Y522 HydrophobicContact CG1-CD1 4.46Å; I511-Y522 HydrophobicContact CG1-CE1 4.46Å; I511-Y522 HydrophobicContact CG2-CE1 3.9Å; K517-Y522 WeakPolarHBondContact O-CE1 3.44Å; K517-Y522 PolarHBondContact O-OH 3.37Å; K517-Y522 VanDerWaalsContact O-OH 3.08Å; R518-Y522 WeakPolarHBondContact CA-OH 3.43Å; A519-Y522 HydrophobicContact CB-CD1 4.14Å; A519-Y522 HydrophobicContact CB-CE1 3.83Å; A519-Y522 HydrophobicContact CB-CE2 4.36Å; A519-Y522 PolarHBondContact N-OH 3.5Å; Y522-F547 AromaticContact CD2-CD2 3.9Å; Y522-F547 HydrophobicContact CD2-CD2 3.9Å; Y522-F547 HydrophobicContact CE2-CD2 4.01Å; Y522-F547 PolarHBondContact N-O 3.01Å; Y522-V549 PolarHBondContact O-N 3.43Å
523W95.6Very high88.4Confident0 Ų048.2 Ų48.20%024%0.235CC..EExtended strand (participates in β ladder)trans-106.6125.1-178.6-62.482.7000110N490 V491 V492 F493 V521 V525 V549 V551 L567 V570 I571 L574 L580N490-W523 PolarHBondContact OD1-NE1 2.99Å; V491-W523 PolarHBondContact O-N 3.4Å; V492-W523 CarbonylContact C-O 3.49Å; V492-W523 WeakPolarHBondContact CA-O 3.49Å; V492-W523 HydrophobicContact CB-CB 4.25Å; V492-W523 HydrophobicContact CG1-CB 4.03Å; V492-W523 HydrophobicContact CG2-CB 4.05Å; V492-W523 HydrophobicContact CG2-CG 4.28Å; F493-W523 PolarHBondContact N-O 3.03Å; V521-W523 HydrophobicContact CB-CZ2 4.49Å; V521-W523 HydrophobicContact CG1-CD2 4.27Å; V521-W523 HydrophobicContact CG1-CG 4.44Å; V521-W523 HydrophobicContact CG1-CZ2 3.82Å; V521-W523 VanDerWaalsContact CG1-NE1 3.31Å; W523-V525 HydrophobicContact CB-CG2 4.37Å; W523-V549 CarbonylContact C-O 3.58Å; W523-V549 WeakPolarHBondContact CA-O 3.44Å; W523-V549 HydrophobicContact CD2-CB 4.1Å; W523-V549 HydrophobicContact CE3-CB 3.64Å; W523-V549 HydrophobicContact CE3-CG1 3.7Å; W523-V549 HydrophobicContact CE3-CG2 4.31Å; W523-V549 HydrophobicContact CH2-CB 4.22Å; W523-V549 HydrophobicContact CH2-CG1 4.08Å; W523-V549 HydrophobicContact CH2-CG2 4.08Å; W523-V549 HydrophobicContact CZ2-CG2 4.25Å; W523-V549 HydrophobicContact CZ3-CB 3.75Å; W523-V549 HydrophobicContact CZ3-CG1 3.42Å; W523-V549 VanDerWaalsContact CZ3-CG1 3.42Å; W523-V549 HydrophobicContact CZ3-CG2 4.13Å; W523-V551 HydrophobicContact CE3-CG2 3.79Å; W523-V551 HydrophobicContact CZ3-CG2 3.88Å; W523-L567 HydrophobicContact CD2-CD1 3.9Å; W523-L567 HydrophobicContact CE3-CD1 3.42Å; W523-L567 VanDerWaalsContact CE3-CD1 3.42Å; W523-L567 HydrophobicContact CE3-CG 4.47Å; W523-L567 HydrophobicContact CG-CD1 4.43Å; W523-L567 HydrophobicContact CZ3-CD1 3.87Å; W523-V570 HydrophobicContact CH2-CG1 4.4Å; W523-V570 HydrophobicContact CZ3-CG1 3.9Å; W523-I571 HydrophobicContact CH2-CB 4.49Å; W523-I571 HydrophobicContact CH2-CD1 3.99Å; W523-I571 HydrophobicContact CH2-CG1 3.25Å; W523-I571 HydrophobicContact CZ2-CD1 3.59Å; W523-I571 HydrophobicContact CZ2-CG1 3.26Å; W523-I571 HydrophobicContact CZ3-CG1 4.14Å; W523-L574 HydrophobicContact CH2-CD1 3.77Å; W523-L574 HydrophobicContact CZ3-CD1 4.13Å; W523-L580 HydrophobicContact CH2-CD2 4.29Å; W523-L580 HydrophobicContact CZ2-CD2 3.94Å
524F95.2Very high88.1Confident0 Ų049 Ų490%023%0.23CC..EExtended strand (participates in β ladder)trans-113.1107.3172.6-60.2-84.4000108.1F468 F493 V495 L498 I503 F507 I511 I548 V549 K550 V551F468-F524 HydrophobicContact CE1-CD2 4.05Å; F468-F524 HydrophobicContact CE1-CE1 4.12Å; F468-F524 AromaticContact CE1-CE2 3.49Å; F468-F524 HydrophobicContact CE1-CE2 3.49Å; F468-F524 VanDerWaalsContact CE1-CE2 3.49Å; F468-F524 AromaticContact CE1-CZ 3.52Å; F468-F524 HydrophobicContact CE1-CZ 3.52Å; F468-F524 HydrophobicContact CE2-CD2 4.47Å; F468-F524 HydrophobicContact CE2-CG 4.44Å; F468-F524 AromaticContact CZ-CD1 3.75Å; F468-F524 HydrophobicContact CZ-CD1 3.75Å; F468-F524 AromaticContact CZ-CD2 3.52Å; F468-F524 HydrophobicContact CZ-CD2 3.52Å; F468-F524 AromaticContact CZ-CE1 3.65Å; F468-F524 HydrophobicContact CZ-CE1 3.65Å; F468-F524 AromaticContact CZ-CE2 3.42Å; F468-F524 HydrophobicContact CZ-CE2 3.42Å; F468-F524 VanDerWaalsContact CZ-CE2 3.42Å; F468-F524 AromaticContact CZ-CG 3.68Å; F468-F524 HydrophobicContact CZ-CG 3.68Å; F468-F524 AromaticContact CZ-CZ 3.48Å; F468-F524 HydrophobicContact CZ-CZ 3.48Å; F468-F524 VanDerWaalsContact CZ-CZ 3.48Å; F493-F524 HydrophobicContact CB-CD1 3.89Å; F493-F524 HydrophobicContact CB-CE1 4.18Å; F493-F524 HydrophobicContact CD2-CD1 4.13Å; F493-F524 AromaticContact CD2-CE1 3.65Å; F493-F524 HydrophobicContact CD2-CE1 3.65Å; F493-F524 HydrophobicContact CD2-CZ 4.17Å; F493-F524 HydrophobicContact CE2-CE1 4.34Å; F493-F524 HydrophobicContact CG-CD1 4.33Å; F493-F524 HydrophobicContact CG-CE1 4.12Å; V495-F524 HydrophobicContact CG1-CB 4.35Å; V495-F524 HydrophobicContact CG1-CD1 3.97Å; V495-F524 HydrophobicContact CG2-CB 4.23Å; L498-F524 WeakPolarHBondContact CD1-O 3.35Å; L498-F524 HydrophobicContact CD2-CB 4.23Å; I503-F524 HydrophobicContact CD1-CD1 3.39Å; I503-F524 HydrophobicContact CD1-CE1 3.52Å; I503-F524 HydrophobicContact CD1-CG 4.21Å; I503-F524 HydrophobicContact CD1-CZ 4.42Å; F507-F524 HydrophobicContact CB-CE1 4.21Å; I511-F524 HydrophobicContact CD1-CE1 4.43Å; I511-F524 HydrophobicContact CD1-CZ 3.89Å; F524-I548 HydrophobicContact CD2-CG2 4.19Å; F524-I548 HydrophobicContact CE2-CG2 4.06Å; F524-V549 PolarHBondContact N-O 3.45Å; F524-K550 CarbonylContact O-C 3.6Å; F524-K550 WeakPolarHBondContact O-CA 3.49Å; F524-V551 PolarHBondContact O-N 3.47Å
525V94.7Very high88Confident2 Ų246.4 Ų46.41%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-111.1122-171.2-173.90000110.3V492 F493 L494 V495 W523 V551 L553 V563 L567V492-V525 HydrophobicContact CG1-CG2 3.8Å; F493-V525 PolarHBondContact O-N 2.58Å; L494-V525 WeakPolarHBondContact CA-O 3.36Å; L494-V525 HydrophobicContact CD2-CB 3.98Å; L494-V525 HydrophobicContact CD2-CG1 4.38Å; V495-V525 WeakPolarHBondContact CG2-O 3.29Å; V495-V525 PolarHBondContact N-O 3.41Å; W523-V525 HydrophobicContact CB-CG2 4.37Å; V525-V551 CarbonylContact C-O 3.56Å; V525-V551 WeakPolarHBondContact CA-O 3.42Å; V525-V551 HydrophobicContact CG2-CB 4.39Å; V525-L553 HydrophobicContact CG1-CD1 3.89Å; V525-L553 HydrophobicContact CG1-CG 4.17Å; V525-V563 HydrophobicContact CG1-CG1 3.99Å; V525-L567 HydrophobicContact CG2-CD1 4.03Å
526N93.2Very high88Confident16 Ų1644 Ų449%0.08622%0.217CC..EExtended strand (participates in β ladder)trans-108.7138169.2-177.2-115000109.6V495 P496 R497 L498 V551 K552 L553V495-N526 HydrophobicContact CG2-CB 4.23Å; V495-N526 PolarHBondContact O-ND2 2.93Å; P496-N526 PolarHBondContact O-ND2 3.46Å; R497-N526 PolarHBondContact N-ND2 2.87Å; L498-N526 HydrophobicContact CB-CB 4.16Å; L498-N526 HydrophobicContact CD1-CB 3.56Å; L498-N526 HydrophobicContact CG-CB 3.91Å; N526-V551 PolarHBondContact N-O 3.36Å; N526-K552 CarbonylContact O-C 3.19Å; N526-K552 WeakPolarHBondContact O-CA 3.19Å; N526-L553 PolarHBondContact O-N 2.83Å
527V89.6Confident88Confident27 Ų2746.5 Ų46.516%0.16423%0.227CC..EExtended strand (participates in β ladder)trans-112.3116.1175.9-176.60000108.3L553 L555 Q561 V563 F638V527-L553 HydrophobicContact CG2-CB 4.47Å; V527-L553 HydrophobicContact CG2-CD1 4.26Å; V527-L555 HydrophobicContact CG1-CD1 3.86Å; V527-L555 HydrophobicContact CG1-CG 4.34Å; V527-Q561 HydrophobicContact CG1-CG 4.15Å; V527-V563 HydrophobicContact CG2-CG2 3.83Å; V527-F638 HydrophobicContact CB-CE1 4.36Å; V527-F638 HydrophobicContact CG2-CD1 4.25Å; V527-F638 HydrophobicContact CG2-CE1 4.07Å
528E86.5Confident88Confident93 Ų9350.3 Ų50.344%0.43524%0.242SC..EExtended strand (participates in β ladder)trans-107.6118.9175.9-168.2172.2158.100108.6L553 Y554 L555E528-L553 PolarHBondContact N-O 3.02Å; E528-Y554 HydrophobicContact CB-CD1 4.09Å; E528-Y554 HydrophobicContact CB-CE1 4.34Å; E528-Y554 HydrophobicContact CG-CD1 4.37Å; E528-Y554 HydrophobicContact CG-CE1 4.49Å; E528-Y554 WeakPolarHBondContact O-CA 3.46Å; E528-Y554 VanDerWaalsContact OE2-CE1 3.31Å; E528-Y554 WeakPolarHBondContact OE2-CE1 3.18Å; E528-L555 PolarHBondContact O-N 3.27Å
529V81.6Confident88Confident72 Ų7251.9 Ų51.944%0.43626%0.255SS..EExtended strand (participates in β ladder)trans-85.6117.9177.7-177.70000108.6L555 F557 Q561V529-L555 CarbonylContact C-O 3.6Å; V529-L555 VanDerWaalsContact CA-O 3.24Å; V529-L555 WeakPolarHBondContact CA-O 3.4Å; V529-F557 HydrophobicContact CG1-CB 3.96Å; V529-Q561 VanDerWaalsContact CG2-NE2 3.25Å
530T80.5Confident87.9Confident28 Ų2853.6 Ų53.617%0.17226%0.264CS..EExtended strand (participates in β ladder)trans-86.5154.8179.172.10000111.5E532 T535 Y554 L555 F557T530-E532 PolarHBondContact O-N 3.39Å; T530-E532 PolarHBondContact OG1-O 3.1Å; T530-T535 HydrophobicContact CG2-CG2 4.15Å; T530-T535 WeakPolarHBondContact OG1-CB 3.37Å; T530-T535 PolarHBondContact OG1-OG1 3.18Å; T530-Y554 HydrophobicContact CG2-CD1 4.32Å; T530-L555 PolarHBondContact N-O 2.92Å; T530-F557 PolarHBondContact O-N 3.49Å
531D70.4Confident87.9Confident116 Ų11653.1 Ų53.162%0.6227%0.265SS*.SBendtrans-68.6-18.1175.9-62.4-38.2000113.4I347 F557I347-D531 HydrophobicContact CD1-CB 4.24Å; I347-D531 WeakPolarHBondContact CD1-O 3.04Å; D531-F557 VanDerWaalsContact O-CD1 3.25Å; D531-F557 WeakPolarHBondContact O-CD1 3.26Å; D531-F557 WeakPolarHBondContact O-CE1 3.5Å
532E73.3Confident87.7Confident115 Ų11553.9 Ų53.954%0.53727%0.268SS..SBendtrans-77.9136.5175.3-73.3-71161.700110.4T530 Y534 T535 G556 F557T530-E532 PolarHBondContact O-N 3.39Å; T530-E532 PolarHBondContact OG1-O 3.1Å; E532-Y534 PolarHBondContact O-N 3.47Å; E532-T535 WeakPolarHBondContact CB-OG1 3.21Å; E532-G556 WeakPolarHBondContact O-CA 3.14Å; E532-F557 PolarHBondContact O-N 3.47Å
533P70.4Confident87.3Confident15 Ų1555.2 Ų55.210%0.09728%0.275CS..THydrogen-bonded Turntrans-65.4-34.3-168.318.4-28.9000115.1G556 F557 R558P533-G556 CarbonylContact O-C 3.59Å; P533-F557 HydrophobicContact CB-CD1 4.32Å; P533-F557 HydrophobicContact CB-CE1 3.55Å; P533-F557 HydrophobicContact CB-CE2 4.23Å; P533-F557 HydrophobicContact CB-CZ 3.5Å; P533-F557 VanDerWaalsContact CB-CZ 3.5Å; P533-F557 HydrophobicContact CG-CE1 4.2Å; P533-F557 HydrophobicContact CG-CZ 4.32Å; P533-F557 VanDerWaalsContact N-CE1 3.35Å; P533-R558 HydrophobicContact CB-CG 4Å; P533-R558 VanDerWaalsContact O-CB 3.31Å; P533-R558 WeakPolarHBondContact O-CB 3.28Å; P533-R558 PolarHBondContact O-N 3.03Å; P533-R558 VanDerWaalsContact O-N 3.09Å
534Y82.6Confident86.8Confident123 Ų12359.4 Ų59.448%0.48232%0.318SS..THydrogen-bonded Turntrans-127.625.9-168.4-53-75.7000112.6E532 E536 R558 I559E532-Y534 PolarHBondContact O-N 3.47Å; Y534-E536 PolarHBondContact O-N 3.33Å; Y534-R558 HydrophobicContact CD1-CB 4.42Å; Y534-R558 HydrophobicContact CE1-CB 4.19Å; Y534-R558 PolarHBondContact OH-NH1 3.44Å; Y534-I559 HydrophobicContact CD1-CD1 4.06Å
535T85.3Confident86.5Confident22 Ų2260.6 Ų60.614%0.13533%0.326CS..  trans-62.1131.3171.4-47.60000109.1T530 E532 E537 L555 G556T530-T535 HydrophobicContact CG2-CG2 4.15Å; T530-T535 WeakPolarHBondContact OG1-CB 3.37Å; T530-T535 PolarHBondContact OG1-OG1 3.18Å; E532-T535 WeakPolarHBondContact CB-OG1 3.21Å; T535-E537 HydrophobicContact CG2-CB 4.13Å; T535-E537 HydrophobicContact CG2-CG 3.9Å; T535-L555 CarbonylContact O-C 3.57Å; T535-L555 WeakPolarHBondContact O-CA 3.24Å; T535-G556 PolarHBondContact O-N 3.26Å
536E89.4Confident86.2Confident122 Ų12264.1 Ų64.157%0.5734%0.344SS*.EExtended strand (participates in β ladder)trans-138.864.5176.7-67.7-176.8137.900107.5Y534 I559Y534-E536 PolarHBondContact O-N 3.33Å; E536-I559 HydrophobicContact CG-CD1 3.99Å; E536-I559 HydrophobicContact CG-CG1 3.82Å; E536-I559 HydrophobicContact CG-CG2 4.1Å; E536-I559 WeakPolarHBondContact OE1-CD1 3.2Å
537E93.4Very high86.2Confident132 Ų13263.4 Ų63.462%0.61734%0.34SS*.EExtended strand (participates in β ladder)trans-115.1156.3-175.3-64.7179.4-172.600110.2T535 Y554T535-E537 HydrophobicContact CG2-CB 4.13Å; T535-E537 HydrophobicContact CG2-CG 3.9Å; E537-Y554 PolarHBondContact N-O 3.3Å; E537-Y554 WeakPolarHBondContact O-CA 3.44Å; E537-Y554 PolarHBondContact O-N 3.04Å
538Y94.4Very high86.3Confident79 Ų7962.1 Ų62.131%0.3133%0.333SS..EExtended strand (participates in β ladder)trans-142.6151.5173.368.3-95.4000111.1I540 K552 V570 D573Y538-I540 HydrophobicContact CD2-CD1 3.72Å; Y538-I540 HydrophobicContact CD2-CG1 3.61Å; Y538-I540 HydrophobicContact CE2-CD1 3.39Å; Y538-I540 HydrophobicContact CE2-CG1 3.75Å; Y538-K552 CarbonylContact C-O 3.53Å; Y538-K552 WeakPolarHBondContact CA-O 3.46Å; Y538-V570 HydrophobicContact CD1-CG2 3.93Å; Y538-V570 HydrophobicContact CD2-CG2 3.94Å; Y538-V570 HydrophobicContact CE1-CG2 4.04Å; Y538-V570 HydrophobicContact CE2-CG2 4.08Å; Y538-V570 HydrophobicContact CG-CG2 3.87Å; Y538-D573 PolarHBondContact OH-OD2 3.2Å
539S93.7Very high86.7Confident45 Ų4557.7 Ų57.732%0.31531%0.312SS..EExtended strand (participates in β ladder)trans-121.3148.9169.368.30000110.2V551 K552S539-V551 WeakPolarHBondContact O-CA 3.49Å; S539-K552 PolarHBondContact N-O 3.02Å; S539-K552 PolarHBondContact O-N 2.97Å; S539-K552 WeakPolarHBondContact OG-CB 3.38Å
540I92.9Very high87.3Confident36 Ų3654.8 Ų54.819%0.18529%0.294CS..EExtended strand (participates in β ladder)trans-133133.4-175.5-55.5-176.9000110Y538 M542 V549 K550 V551 V570 L574Y538-I540 HydrophobicContact CD2-CD1 3.72Å; Y538-I540 HydrophobicContact CD2-CG1 3.61Å; Y538-I540 HydrophobicContact CE2-CD1 3.39Å; Y538-I540 HydrophobicContact CE2-CG1 3.75Å; I540-M542 HydrophobicContact CG2-CG 3.86Å; I540-V549 HydrophobicContact CG2-CG1 3.62Å; I540-K550 WeakPolarHBondContact CA-O 3.32Å; I540-V551 HydrophobicContact CG1-CG2 4.47Å; I540-V570 HydrophobicContact CD1-CG1 3.49Å; I540-V570 VanDerWaalsContact CD1-CG1 3.49Å; I540-V570 HydrophobicContact CG1-CG1 4.5Å; I540-L574 HydrophobicContact CD1-CD1 3.87Å; I540-L574 HydrophobicContact CD1-CD2 3.82Å; I540-L574 HydrophobicContact CD1-CG 3.88Å; I540-L574 HydrophobicContact CG2-CD2 4.49Å
541D92.2Very high87.9Confident70 Ų7053.5 Ų53.537%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-124.9122167.2173.417.6000108.9M543 K550D541-M543 PolarHBondContact OD1-N 3.12Å; D541-K550 HydrophobicContact CB-CB 4.26Å; D541-K550 HydrophobicContact CB-CD 4.41Å; D541-K550 PolarHBondContact N-O 3.12Å; D541-K550 WeakPolarHBondContact O-CB 3.33Å; D541-K550 PolarHBondContact O-N 2.9Å; D541-K550 IonicContact OD2-NZ 3.2Å
542M90.7Very high89.1Confident18 Ų1850.4 Ų50.49%0.08927%0.267CS..  trans-100.66.5-178.9-60.6-175.466.300113.1I540 G544 T545 I548 V549 L574 R579 L580I540-M542 HydrophobicContact CG2-CG 3.86Å; M542-G544 PolarHBondContact O-N 3.18Å; M542-T545 WeakPolarHBondContact CB-O 3.39Å; M542-T545 PolarHBondContact O-N 3.04Å; M542-T545 PolarHBondContact O-OG1 2.96Å; M542-I548 CarbonylContact C-O 3.58Å; M542-I548 VanDerWaalsContact CA-O 3.28Å; M542-I548 WeakPolarHBondContact CA-O 3.31Å; M542-V549 HydrophobicContact CE-CG2 4.08Å; M542-V549 HydrophobicContact CG-CG1 4.36Å; M542-V549 HydrophobicContact CG-CG2 4.44Å; M542-L574 HydrophobicContact SD-CD2 4.09Å; M542-R579 VanDerWaalsContact CE-O 3.31Å; M542-R579 WeakPolarHBondContact CE-O 3.19Å; M542-R579 HydrophobicContact SD-CB 3.99Å; M542-L580 HydrophobicContact CE-CD1 4.39Å
543M87Confident90.1Very high28 Ų2845.2 Ų45.214%0.13824%0.242CC..THydrogen-bonded Turntrans56.923.4175.3-66.1-65.9-71.300115F468 K469 D501 D541 T545 I548 K550F468-M543 HydrophobicContact CB-CE 4.16Å; K469-M543 HydrophobicContact CG-CE 3.9Å; D501-M543 VanDerWaalsContact OD1-CE 3.28Å; D501-M543 WeakPolarHBondContact OD1-CE 3.4Å; D501-M543 VanDerWaalsContact OD1-SD 3.41Å; D541-M543 PolarHBondContact OD1-N 3.12Å; M543-T545 VanDerWaalsContact C-N 3.26Å; M543-T545 PolarHBondContact O-N 3.09Å; M543-I548 HydrophobicContact CG-CG2 4.48Å; M543-K550 HydrophobicContact CG-CD 4.22Å; M543-K550 HydrophobicContact SD-CD 4.35Å; M543-K550 WeakPolarHBondContact SD-CE 3.31Å; M543-K550 PolarHBondContact SD-NZ 3.49Å
544G85.8Confident91.1Very high88 Ų8847.2 Ų47.291%0.90725%0.249SC*.THydrogen-bonded Turntrans73.314.9-174.300000114.5M542M542-G544 PolarHBondContact O-N 3.18Å
545T88.8Confident91.4Very high26 Ų2641.5 Ų41.516%0.1623%0.226CC..SBendtrans-121.4171.9179.769.90000111.7L472 M542 M543 F547 I548L472-T545 HydrophobicContact CD1-CG2 3.93Å; L472-T545 HydrophobicContact CD2-CG2 4.23Å; L472-T545 HydrophobicContact CG-CG2 4.47Å; M542-T545 WeakPolarHBondContact CB-O 3.39Å; M542-T545 PolarHBondContact O-N 3.04Å; M542-T545 PolarHBondContact O-OG1 2.96Å; M543-T545 VanDerWaalsContact C-N 3.26Å; M543-T545 PolarHBondContact O-N 3.09Å; T545-F547 VanDerWaalsContact CB-CE1 3.41Å; T545-F547 HydrophobicContact CG2-CD1 4.3Å; T545-F547 HydrophobicContact CG2-CE1 3.51Å; T545-F547 HydrophobicContact CG2-CZ 4.02Å; T545-I548 WeakPolarHBondContact OG1-CB 3.4Å; T545-I548 PolarHBondContact OG1-N 3.41Å
546D88.7Confident91.2Very high76 Ų7640.5 Ų40.541%0.40622%0.221SC..SBendtrans-108.1-5.6172.364.5-15.2000113.8L580D546-L580 WeakPolarHBondContact O-CD1 3.34Å
547F92.3Very high90.4Very high0 Ų035.7 Ų35.70%020%0.198CC..SBendtrans-111.9-10.4-178.269.7-78.9000114L472 L475 Q476 H479 K520 V521 Y522 T545L472-F547 HydrophobicContact CD1-CZ 4.14Å; L475-F547 HydrophobicContact CB-CE2 4.11Å; Q476-F547 HydrophobicContact CB-CZ 3.98Å; H479-F547 HydrophobicContact CB-CD2 4.07Å; H479-F547 HydrophobicContact CB-CE2 4.42Å; H479-F547 HydrophobicContact CB-CG 4.4Å; H479-F547 AromaticContact CG-CG 3.98Å; K520-F547 VanDerWaalsContact O-CB 3.28Å; K520-F547 WeakPolarHBondContact O-CB 3.3Å; V521-F547 CarbonylContact C-O 3.46Å; V521-F547 VanDerWaalsContact CA-O 3.3Å; V521-F547 WeakPolarHBondContact CA-O 3.49Å; Y522-F547 AromaticContact CD2-CD2 3.9Å; Y522-F547 HydrophobicContact CD2-CD2 3.9Å; Y522-F547 HydrophobicContact CE2-CD2 4.01Å; Y522-F547 PolarHBondContact N-O 3.01Å; T545-F547 VanDerWaalsContact CB-CE1 3.41Å; T545-F547 HydrophobicContact CG2-CD1 4.3Å; T545-F547 HydrophobicContact CG2-CE1 3.51Å; T545-F547 HydrophobicContact CG2-CZ 4.02Å
548I93.3Very high89.2Confident1 Ų132.8 Ų32.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-113.3125.9171.5-58.3-168.7000109.8L472 L475 F524 M542 M543 T545L472-I548 HydrophobicContact CD1-CD1 3.39Å; L472-I548 HydrophobicContact CD1-CG1 4.37Å; L475-I548 HydrophobicContact CB-CD1 4.44Å; L475-I548 HydrophobicContact CD1-CD1 3.81Å; F524-I548 HydrophobicContact CD2-CG2 4.19Å; F524-I548 HydrophobicContact CE2-CG2 4.06Å; M542-I548 CarbonylContact C-O 3.58Å; M542-I548 VanDerWaalsContact CA-O 3.28Å; M542-I548 WeakPolarHBondContact CA-O 3.31Å; M543-I548 HydrophobicContact CG-CG2 4.48Å; T545-I548 WeakPolarHBondContact OG1-CB 3.4Å; T545-I548 PolarHBondContact OG1-N 3.41Å
549V93.9Very high88.5Confident0 Ų030.3 Ų30.30%017%0.173CC..EExtended strand (participates in β ladder)trans-131.1113179.1-167.10000110.6V521 Y522 W523 F524 I540 M542 V551 L574V521-V549 HydrophobicContact CG1-CB 4.48Å; V521-V549 HydrophobicContact CG1-CG2 3.61Å; Y522-V549 PolarHBondContact O-N 3.43Å; W523-V549 CarbonylContact C-O 3.58Å; W523-V549 WeakPolarHBondContact CA-O 3.44Å; W523-V549 HydrophobicContact CD2-CB 4.1Å; W523-V549 HydrophobicContact CE3-CB 3.64Å; W523-V549 HydrophobicContact CE3-CG1 3.7Å; W523-V549 HydrophobicContact CE3-CG2 4.31Å; W523-V549 HydrophobicContact CH2-CB 4.22Å; W523-V549 HydrophobicContact CH2-CG1 4.08Å; W523-V549 HydrophobicContact CH2-CG2 4.08Å; W523-V549 HydrophobicContact CZ2-CG2 4.25Å; W523-V549 HydrophobicContact CZ3-CB 3.75Å; W523-V549 HydrophobicContact CZ3-CG1 3.42Å; W523-V549 VanDerWaalsContact CZ3-CG1 3.42Å; W523-V549 HydrophobicContact CZ3-CG2 4.13Å; F524-V549 PolarHBondContact N-O 3.45Å; I540-V549 HydrophobicContact CG2-CG1 3.62Å; M542-V549 HydrophobicContact CE-CG2 4.08Å; M542-V549 HydrophobicContact CG-CG1 4.36Å; M542-V549 HydrophobicContact CG-CG2 4.44Å; V549-V551 HydrophobicContact CG1-CG2 3.78Å; V549-L574 HydrophobicContact CG1-CD1 4.22Å
550K94.1Very high87.9Confident11 Ų1130.7 Ų30.75%0.04818%0.179CC..EExtended strand (participates in β ladder)trans-90.1123.5167.9-59.1175.6-174.2170.10108.4L498 G500 D501 F524 I540 D541 M543L498-K550 HydrophobicContact CD1-CB 4.4Å; L498-K550 HydrophobicContact CD2-CD 4.46Å; L498-K550 HydrophobicContact CD2-CG 4.39Å; G500-K550 PolarHBondContact O-NZ 2.89Å; D501-K550 IonicContact OD1-NZ 2.99Å; D501-K550 PolarHBondContact OD1-NZ 3.45Å; F524-K550 CarbonylContact O-C 3.6Å; F524-K550 WeakPolarHBondContact O-CA 3.49Å; I540-K550 WeakPolarHBondContact CA-O 3.32Å; D541-K550 HydrophobicContact CB-CB 4.26Å; D541-K550 HydrophobicContact CB-CD 4.41Å; D541-K550 PolarHBondContact N-O 3.12Å; D541-K550 WeakPolarHBondContact O-CB 3.33Å; D541-K550 PolarHBondContact O-N 2.9Å; D541-K550 IonicContact OD2-NZ 3.2Å; M543-K550 HydrophobicContact CG-CD 4.22Å; M543-K550 HydrophobicContact SD-CD 4.35Å; M543-K550 WeakPolarHBondContact SD-CE 3.31Å; M543-K550 PolarHBondContact SD-NZ 3.49Å
551V94.1Very high87.5Confident1 Ų130.5 Ų30.51%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-120.9126.3178.5-175.70000108.9W523 F524 V525 N526 S539 I540 V549 L553 V570W523-V551 HydrophobicContact CE3-CG2 3.79Å; W523-V551 HydrophobicContact CZ3-CG2 3.88Å; F524-V551 PolarHBondContact O-N 3.47Å; V525-V551 CarbonylContact C-O 3.56Å; V525-V551 WeakPolarHBondContact CA-O 3.42Å; V525-V551 HydrophobicContact CG2-CB 4.39Å; N526-V551 PolarHBondContact N-O 3.36Å; S539-V551 WeakPolarHBondContact O-CA 3.49Å; I540-V551 HydrophobicContact CG1-CG2 4.47Å; V549-V551 HydrophobicContact CG1-CG2 3.78Å; V551-L553 HydrophobicContact CG1-CD2 3.71Å; V551-L553 HydrophobicContact CG1-CG 4.12Å; V551-V570 HydrophobicContact CG2-CG1 4.31Å
552K94.4Very high87.2Confident51 Ų5130.1 Ų30.122%0.22218%0.175CC..EExtended strand (participates in β ladder)trans-105.7121163.5-56-177.3175.9-166.70108.9L498 N526 Y538 S539 Y554L498-K552 HydrophobicContact CB-CG 4.44Å; L498-K552 HydrophobicContact CD1-CG 4.45Å; L498-K552 WeakPolarHBondContact O-CE 3.37Å; L498-K552 PolarHBondContact O-NZ 3.42Å; N526-K552 CarbonylContact O-C 3.19Å; N526-K552 WeakPolarHBondContact O-CA 3.19Å; Y538-K552 CarbonylContact C-O 3.53Å; Y538-K552 WeakPolarHBondContact CA-O 3.46Å; S539-K552 PolarHBondContact N-O 3.02Å; S539-K552 PolarHBondContact O-N 2.97Å; S539-K552 WeakPolarHBondContact OG-CB 3.38Å; K552-Y554 HydrophobicContact CB-CE2 4.08Å; K552-Y554 WeakPolarHBondContact CD-OH 3.44Å
553L94.1Very high87.2Confident5 Ų529.2 Ų29.23%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-95.3118.1173.7-59.7178.3000108.4V525 N526 V527 E528 V551 L555 V563 Y566V525-L553 HydrophobicContact CG1-CD1 3.89Å; V525-L553 HydrophobicContact CG1-CG 4.17Å; N526-L553 PolarHBondContact O-N 2.83Å; V527-L553 HydrophobicContact CG2-CB 4.47Å; V527-L553 HydrophobicContact CG2-CD1 4.26Å; E528-L553 PolarHBondContact N-O 3.02Å; V551-L553 HydrophobicContact CG1-CD2 3.71Å; V551-L553 HydrophobicContact CG1-CG 4.12Å; L553-L555 HydrophobicContact CB-CD1 4.45Å; L553-L555 HydrophobicContact CB-CD2 4.4Å; L553-L555 HydrophobicContact CB-CG 4.12Å; L553-V563 HydrophobicContact CD1-CG1 4.35Å; L553-V563 HydrophobicContact CD1-CG2 4.43Å; L553-Y566 HydrophobicContact CD1-CD2 4.22Å
554Y92.1Very high87.3Confident58 Ų5829 Ų2923%0.22717%0.17CC..EExtended strand (participates in β ladder)trans-96.695.9173.1-61.3-80.5000108E528 T530 E537 K552E528-Y554 HydrophobicContact CB-CD1 4.09Å; E528-Y554 HydrophobicContact CB-CE1 4.34Å; E528-Y554 HydrophobicContact CG-CD1 4.37Å; E528-Y554 HydrophobicContact CG-CE1 4.49Å; E528-Y554 WeakPolarHBondContact O-CA 3.46Å; E528-Y554 VanDerWaalsContact OE2-CE1 3.31Å; E528-Y554 WeakPolarHBondContact OE2-CE1 3.18Å; T530-Y554 HydrophobicContact CG2-CD1 4.32Å; E537-Y554 PolarHBondContact N-O 3.3Å; E537-Y554 WeakPolarHBondContact O-CA 3.44Å; E537-Y554 PolarHBondContact O-N 3.04Å; K552-Y554 HydrophobicContact CB-CE2 4.08Å; K552-Y554 WeakPolarHBondContact CD-OH 3.44Å
555L88.5Confident87.5Confident3 Ų328.8 Ų28.82%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-107.8133.4-174.8-58.6-178000110.2V527 E528 V529 T530 T535 L553 I559 Q561 Y566V527-L555 HydrophobicContact CG1-CD1 3.86Å; V527-L555 HydrophobicContact CG1-CG 4.34Å; E528-L555 PolarHBondContact O-N 3.27Å; V529-L555 CarbonylContact C-O 3.6Å; V529-L555 VanDerWaalsContact CA-O 3.24Å; V529-L555 WeakPolarHBondContact CA-O 3.4Å; T530-L555 PolarHBondContact N-O 2.92Å; T535-L555 CarbonylContact O-C 3.57Å; T535-L555 WeakPolarHBondContact O-CA 3.24Å; L553-L555 HydrophobicContact CB-CD1 4.45Å; L553-L555 HydrophobicContact CB-CD2 4.4Å; L553-L555 HydrophobicContact CB-CG 4.12Å; L555-I559 HydrophobicContact CB-CB 4.5Å; L555-I559 HydrophobicContact CB-CG2 4.46Å; L555-I559 HydrophobicContact CD2-CG2 4.26Å; L555-Q561 HydrophobicContact CD1-CB 4.27Å; L555-Q561 HydrophobicContact CD1-CG 4.16Å; L555-Y566 HydrophobicContact CD1-CD2 4.04Å; L555-Y566 HydrophobicContact CD1-CE2 3.64Å; L555-Y566 HydrophobicContact CD2-CD2 4.28Å; L555-Y566 HydrophobicContact CD2-CE2 3.97Å; L555-Y566 HydrophobicContact CG-CE2 4.5Å
556G81.2Confident87.6Confident1 Ų129 Ų291%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-66.6152.5174.700000111.6E532 P533 T535 R558 I559E532-G556 WeakPolarHBondContact O-CA 3.14Å; P533-G556 CarbonylContact O-C 3.59Å; T535-G556 PolarHBondContact O-N 3.26Å; G556-R558 PolarHBondContact O-N 3.42Å; G556-I559 WeakPolarHBondContact O-CB 3.29Å; G556-I559 PolarHBondContact O-N 3.41Å
557F72.3Confident87.8Confident20 Ų2025.5 Ų25.59%0.08813%0.13CC..THydrogen-bonded Turntrans-62.5-18.1-174.366.6-94.9000114.7Y342 I347 V529 T530 D531 E532 P533Y342-F557 AromaticContact CD1-CD2 3.68Å; Y342-F557 HydrophobicContact CD1-CD2 3.68Å; Y342-F557 AromaticContact CD1-CE2 3.97Å; Y342-F557 HydrophobicContact CD1-CE2 3.97Å; Y342-F557 HydrophobicContact CD2-CB 4.42Å; Y342-F557 AromaticContact CD2-CD2 3.71Å; Y342-F557 HydrophobicContact CD2-CD2 3.71Å; Y342-F557 WeakPolarHBondContact CD2-O 3.35Å; Y342-F557 AromaticContact CE1-CD2 3.88Å; Y342-F557 HydrophobicContact CE1-CD2 3.88Å; Y342-F557 HydrophobicContact CE1-CE2 4.45Å; Y342-F557 HydrophobicContact CE2-CB 3.91Å; Y342-F557 AromaticContact CE2-CD2 3.92Å; Y342-F557 HydrophobicContact CE2-CD2 3.92Å; Y342-F557 HydrophobicContact CE2-CG 4.4Å; Y342-F557 VanDerWaalsContact CE2-O 3.24Å; Y342-F557 WeakPolarHBondContact CE2-O 3.18Å; Y342-F557 AromaticContact CG-CD2 3.57Å; Y342-F557 HydrophobicContact CG-CD2 3.57Å; Y342-F557 HydrophobicContact CG-CE2 4.02Å; Y342-F557 AromaticContact CZ-CD2 3.99Å; I347-F557 HydrophobicContact CB-CE1 4.48Å; I347-F557 HydrophobicContact CB-CE2 4.5Å; I347-F557 HydrophobicContact CB-CZ 4.29Å; I347-F557 HydrophobicContact CD1-CD1 4.12Å; I347-F557 HydrophobicContact CD1-CE1 3.89Å; I347-F557 HydrophobicContact CD1-CZ 4.49Å; I347-F557 HydrophobicContact CG1-CD1 3.62Å; I347-F557 HydrophobicContact CG1-CD2 4.27Å; I347-F557 HydrophobicContact CG1-CE1 3.19Å; I347-F557 HydrophobicContact CG1-CE2 3.92Å; I347-F557 HydrophobicContact CG1-CG 4.14Å; I347-F557 HydrophobicContact CG1-CZ 3.36Å; V529-F557 HydrophobicContact CG1-CB 3.96Å; T530-F557 PolarHBondContact O-N 3.49Å; D531-F557 VanDerWaalsContact O-CD1 3.25Å; D531-F557 WeakPolarHBondContact O-CD1 3.26Å; D531-F557 WeakPolarHBondContact O-CE1 3.5Å; E532-F557 PolarHBondContact O-N 3.47Å; P533-F557 HydrophobicContact CB-CD1 4.32Å; P533-F557 HydrophobicContact CB-CE1 3.55Å; P533-F557 HydrophobicContact CB-CE2 4.23Å; P533-F557 HydrophobicContact CB-CZ 3.5Å; P533-F557 VanDerWaalsContact CB-CZ 3.5Å; P533-F557 HydrophobicContact CG-CE1 4.2Å; P533-F557 HydrophobicContact CG-CZ 4.32Å; P533-F557 VanDerWaalsContact N-CE1 3.35Å
558R68.5Low87.7Confident71 Ų7129.9 Ų29.927%0.26815%0.147SC..THydrogen-bonded Turntrans-90-12.5172.9-60.7-174.4130.5-138-21.2113.6Y342 P343 G344 P533 Y534 G556Y342-R558 PolarHBondContact O-NH2 3.24Å; P343-R558 VanDerWaalsContact C-NH2 3.27Å; P343-R558 PolarHBondContact O-NH2 2.94Å; G344-R558 VanDerWaalsContact C-CZ 3.48Å; G344-R558 VanDerWaalsContact CA-NH2 3.3Å; G344-R558 PolarHBondContact O-NE 2.96Å; G344-R558 PolarHBondContact O-NH2 3.4Å; P533-R558 HydrophobicContact CB-CG 4Å; P533-R558 VanDerWaalsContact O-CB 3.31Å; P533-R558 WeakPolarHBondContact O-CB 3.28Å; P533-R558 PolarHBondContact O-N 3.03Å; P533-R558 VanDerWaalsContact O-N 3.09Å; Y534-R558 HydrophobicContact CD1-CB 4.42Å; Y534-R558 HydrophobicContact CE1-CB 4.19Å; Y534-R558 PolarHBondContact OH-NH1 3.44Å; G556-R558 PolarHBondContact O-N 3.42Å
559I80Confident87.6Confident27 Ų2734.9 Ų34.914%0.13817%0.17CC..SBendtrans-81.9127.7-177.3-58.8-53.8000109Y534 E536 L555 G556 Y566Y534-I559 HydrophobicContact CD1-CD1 4.06Å; E536-I559 HydrophobicContact CG-CD1 3.99Å; E536-I559 HydrophobicContact CG-CG1 3.82Å; E536-I559 HydrophobicContact CG-CG2 4.1Å; E536-I559 WeakPolarHBondContact OE1-CD1 3.2Å; L555-I559 HydrophobicContact CB-CB 4.5Å; L555-I559 HydrophobicContact CB-CG2 4.46Å; L555-I559 HydrophobicContact CD2-CG2 4.26Å; G556-I559 WeakPolarHBondContact O-CB 3.29Å; G556-I559 PolarHBondContact O-N 3.41Å; I559-Y566 WeakPolarHBondContact CG2-OH 3.48Å
560A81.5Confident87.6Confident53 Ų5335 Ų3544%0.43817%0.171SC..  trans-63.2137.9174.100000109.4D562 Y566A560-D562 WeakPolarHBondContact CB-OD2 3.4Å; A560-D562 PolarHBondContact O-N 2.98Å; A560-Y566 VanDerWaalsContact O-CE2 3.28Å; A560-Y566 WeakPolarHBondContact O-CE2 3.22Å; A560-Y566 PolarHBondContact O-OH 2.88Å
561Q84.6Confident87.5Confident32 Ų3234.5 Ų34.515%0.1517%0.169CC..  trans-81.451-178.3-58.6-175.61600111.1V527 V529 L555 V563 F638V527-Q561 HydrophobicContact CG1-CG 4.15Å; V529-Q561 VanDerWaalsContact CG2-NE2 3.25Å; L555-Q561 HydrophobicContact CD1-CB 4.27Å; L555-Q561 HydrophobicContact CD1-CG 4.16Å; Q561-V563 WeakPolarHBondContact O-CG2 3.42Å; Q561-V563 PolarHBondContact O-N 2.9Å; Q561-F638 CarbonylContact O-C 3.48Å; Q561-F638 WeakPolarHBondContact O-CA 3.29Å
562D86Confident87.4Confident62 Ų6239.4 Ų39.433%0.33219%0.191SC..  trans-73.469.6-177.9-63-37000111.8A560 N564 V565 Y566A560-D562 WeakPolarHBondContact CB-OD2 3.4Å; A560-D562 PolarHBondContact O-N 2.98Å; D562-N564 PolarHBondContact O-N 2.86Å; D562-N564 VanDerWaalsContact O-N 3.12Å; D562-V565 HydrophobicContact CB-CB 4.18Å; D562-V565 HydrophobicContact CB-CG2 4Å; D562-V565 WeakPolarHBondContact O-CB 3.35Å; D562-V565 PolarHBondContact O-N 3.05Å; D562-Y566 HydrophobicContact CB-CE2 4.24Å; D562-Y566 WeakPolarHBondContact O-CD2 3.27Å; D562-Y566 PolarHBondContact O-N 2.93Å
563V90.6Very high87.3Confident0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-55.4-37.6-171.5178.90000111.7L494 V525 V527 L553 Q561 V565 Y566 L567 F600 F638 I640L494-V563 HydrophobicContact CD2-CG1 4Å; V525-V563 HydrophobicContact CG1-CG1 3.99Å; V527-V563 HydrophobicContact CG2-CG2 3.83Å; L553-V563 HydrophobicContact CD1-CG1 4.35Å; L553-V563 HydrophobicContact CD1-CG2 4.43Å; Q561-V563 WeakPolarHBondContact O-CG2 3.42Å; Q561-V563 PolarHBondContact O-N 2.9Å; V563-V565 VanDerWaalsContact C-N 3.3Å; V563-V565 PolarHBondContact O-N 3.46Å; V563-Y566 PolarHBondContact O-N 2.61Å; V563-L567 WeakPolarHBondContact O-CB 3.28Å; V563-L567 PolarHBondContact O-N 3Å; V563-F600 HydrophobicContact CG1-CE1 4.25Å; V563-F638 HydrophobicContact CB-CB 4.46Å; V563-F638 HydrophobicContact CG2-CB 3.92Å; V563-F638 HydrophobicContact CG2-CD1 3.77Å; V563-F638 HydrophobicContact CG2-CG 4.27Å; V563-F638 PolarHBondContact N-O 3.47Å; V563-I640 HydrophobicContact CB-CG2 4.43Å
564N88.7Confident87.3Confident22 Ų2239 Ų3912%0.11819%0.191CC..Hα-helixtrans-60.7-37.3176.7175.236.4000112.7D562 R568 F600 I640 S643D562-N564 PolarHBondContact O-N 2.86Å; D562-N564 VanDerWaalsContact O-N 3.12Å; N564-R568 VanDerWaalsContact O-CG 3.32Å; N564-R568 WeakPolarHBondContact O-CG 3.16Å; N564-R568 PolarHBondContact O-N 3.48Å; N564-R568 PolarHBondContact OD1-NE 3.43Å; N564-F600 HydrophobicContact CB-CZ 4.21Å; N564-I640 HydrophobicContact CB-CG2 4.19Å; N564-S643 VanDerWaalsContact CG-OG 3.3Å; N564-S643 PolarHBondContact ND2-OG 3.33Å
565V89Confident87.2Confident85 Ų8537.5 Ų37.552%0.51519%0.187SC..Hα-helixtrans-71.1-50.4178.4179.90000109.9D562 V563 L567 R568 Q569D562-V565 HydrophobicContact CB-CB 4.18Å; D562-V565 HydrophobicContact CB-CG2 4Å; D562-V565 WeakPolarHBondContact O-CB 3.35Å; D562-V565 PolarHBondContact O-N 3.05Å; V563-V565 VanDerWaalsContact C-N 3.3Å; V563-V565 PolarHBondContact O-N 3.46Å; V565-L567 VanDerWaalsContact C-N 3.33Å; V565-L567 PolarHBondContact O-N 2.96Å; V565-R568 PolarHBondContact O-N 3.35Å; V565-Q569 PolarHBondContact O-N 3.32Å; V565-Q569 VanDerWaalsContact O-N 3.16Å
566Y92.4Very high87.4Confident30 Ų3046.2 Ų46.212%0.11823%0.225CC..Hα-helixtrans-63-39.7-179.4-56.6-52.5000112.3L553 L555 I559 A560 D562 V563 R568 Q569 V570L553-Y566 HydrophobicContact CD1-CD2 4.22Å; L555-Y566 HydrophobicContact CD1-CD2 4.04Å; L555-Y566 HydrophobicContact CD1-CE2 3.64Å; L555-Y566 HydrophobicContact CD2-CD2 4.28Å; L555-Y566 HydrophobicContact CD2-CE2 3.97Å; L555-Y566 HydrophobicContact CG-CE2 4.5Å; I559-Y566 WeakPolarHBondContact CG2-OH 3.48Å; A560-Y566 VanDerWaalsContact O-CE2 3.28Å; A560-Y566 WeakPolarHBondContact O-CE2 3.22Å; A560-Y566 PolarHBondContact O-OH 2.88Å; D562-Y566 HydrophobicContact CB-CE2 4.24Å; D562-Y566 WeakPolarHBondContact O-CD2 3.27Å; D562-Y566 PolarHBondContact O-N 2.93Å; V563-Y566 PolarHBondContact O-N 2.61Å; Y566-R568 VanDerWaalsContact C-N 3.33Å; Y566-R568 PolarHBondContact O-N 2.86Å; Y566-Q569 WeakPolarHBondContact O-CB 3.38Å; Y566-Q569 PolarHBondContact O-N 2.87Å; Y566-V570 WeakPolarHBondContact O-CB 3.19Å; Y566-V570 VanDerWaalsContact O-CG2 3.32Å; Y566-V570 WeakPolarHBondContact O-CG2 3.2Å; Y566-V570 PolarHBondContact O-N 3.05Å
567L92.3Very high87.8Confident2 Ų251.4 Ų51.41%0.0125%0.249CC..Hα-helixtrans-64-39179.3-16867.3000111.9V492 W523 V525 V563 V565 V570 I571 F598 F600V492-L567 HydrophobicContact CB-CD2 4.37Å; V492-L567 HydrophobicContact CG1-CD2 3.92Å; V492-L567 HydrophobicContact CG2-CD2 3.5Å; W523-L567 HydrophobicContact CD2-CD1 3.9Å; W523-L567 HydrophobicContact CE3-CD1 3.42Å; W523-L567 VanDerWaalsContact CE3-CD1 3.42Å; W523-L567 HydrophobicContact CE3-CG 4.47Å; W523-L567 HydrophobicContact CG-CD1 4.43Å; W523-L567 HydrophobicContact CZ3-CD1 3.87Å; V525-L567 HydrophobicContact CG2-CD1 4.03Å; V563-L567 WeakPolarHBondContact O-CB 3.28Å; V563-L567 PolarHBondContact O-N 3Å; V565-L567 VanDerWaalsContact C-N 3.33Å; V565-L567 PolarHBondContact O-N 2.96Å; L567-V570 PolarHBondContact O-N 2.84Å; L567-I571 HydrophobicContact CG-CD1 4.23Å; L567-I571 WeakPolarHBondContact O-CD1 3.45Å; L567-I571 VanDerWaalsContact O-CG1 3.31Å; L567-I571 WeakPolarHBondContact O-CG1 3.42Å; L567-I571 PolarHBondContact O-N 3.13Å; L567-F598 HydrophobicContact CD2-CD1 3.88Å; L567-F598 HydrophobicContact CD2-CE1 3.73Å; L567-F598 HydrophobicContact CG-CE1 4.14Å; L567-F600 HydrophobicContact CD2-CE1 4.44Å; L567-F600 HydrophobicContact CD2-CZ 4.27Å
568R90.3Very high88.6Confident93 Ų9353.7 Ų53.735%0.35128%0.278SS..Hα-helixtrans-64.3-41.5174.7-72.8175.1-170.4-131.44.6111.8N564 V565 Y566 I571 H572 F598N564-R568 VanDerWaalsContact O-CG 3.32Å; N564-R568 WeakPolarHBondContact O-CG 3.16Å; N564-R568 PolarHBondContact O-N 3.48Å; N564-R568 PolarHBondContact OD1-NE 3.43Å; V565-R568 PolarHBondContact O-N 3.35Å; Y566-R568 VanDerWaalsContact C-N 3.33Å; Y566-R568 PolarHBondContact O-N 2.86Å; R568-I571 PolarHBondContact O-N 3.48Å; R568-H572 PolarHBondContact O-CD2 2.89Å; R568-H572 PolarHBondContact O-N 3.47Å; R568-F598 HydrophobicContact CG-CE2 3.96Å; R568-F598 HydrophobicContact CG-CZ 3.99Å
569Q91.7Very high89.7Confident106 Ų10655.1 Ų55.150%0.49528%0.283SS..Hα-helixtrans-61.5-49.2174.5-179.8179-12.900111.1V565 Y566 I571 H572 D573V565-Q569 PolarHBondContact O-N 3.32Å; V565-Q569 VanDerWaalsContact O-N 3.16Å; Y566-Q569 WeakPolarHBondContact O-CB 3.38Å; Y566-Q569 PolarHBondContact O-N 2.87Å; Q569-I571 VanDerWaalsContact C-N 3.27Å; Q569-I571 PolarHBondContact O-N 2.8Å; Q569-H572 WeakPolarHBondContact O-CB 3.25Å; Q569-H572 PolarHBondContact O-N 3.18Å; Q569-D573 PolarHBondContact O-N 3.41Å
570V93.3Very high90.2Very high2 Ų254.1 Ų54.11%0.01228%0.278CS..Hα-helixtrans-54.9-43.2176.6164.10000111.6W523 Y538 I540 V551 Y566 L567 D573 L574W523-V570 HydrophobicContact CH2-CG1 4.4Å; W523-V570 HydrophobicContact CZ3-CG1 3.9Å; Y538-V570 HydrophobicContact CD1-CG2 3.93Å; Y538-V570 HydrophobicContact CD2-CG2 3.94Å; Y538-V570 HydrophobicContact CE1-CG2 4.04Å; Y538-V570 HydrophobicContact CE2-CG2 4.08Å; Y538-V570 HydrophobicContact CG-CG2 3.87Å; I540-V570 HydrophobicContact CD1-CG1 3.49Å; I540-V570 VanDerWaalsContact CD1-CG1 3.49Å; I540-V570 HydrophobicContact CG1-CG1 4.5Å; V551-V570 HydrophobicContact CG2-CG1 4.31Å; Y566-V570 WeakPolarHBondContact O-CB 3.19Å; Y566-V570 VanDerWaalsContact O-CG2 3.32Å; Y566-V570 WeakPolarHBondContact O-CG2 3.2Å; Y566-V570 PolarHBondContact O-N 3.05Å; L567-V570 PolarHBondContact O-N 2.84Å; V570-D573 PolarHBondContact O-N 2.81Å; V570-L574 HydrophobicContact CG1-CD1 4.02Å; V570-L574 HydrophobicContact CG1-CG 4.45Å; V570-L574 WeakPolarHBondContact O-CB 3.31Å; V570-L574 WeakPolarHBondContact O-CG 3.35Å; V570-L574 PolarHBondContact O-N 3.26Å
571I92.6Very high90.6Very high0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-62.9-45.6176.5-75.6164000111.7W523 L567 R568 Q569 D573 L574 M575 L580 V595 F598W523-I571 HydrophobicContact CH2-CB 4.49Å; W523-I571 HydrophobicContact CH2-CD1 3.99Å; W523-I571 HydrophobicContact CH2-CG1 3.25Å; W523-I571 HydrophobicContact CZ2-CD1 3.59Å; W523-I571 HydrophobicContact CZ2-CG1 3.26Å; W523-I571 HydrophobicContact CZ3-CG1 4.14Å; L567-I571 HydrophobicContact CG-CD1 4.23Å; L567-I571 WeakPolarHBondContact O-CD1 3.45Å; L567-I571 VanDerWaalsContact O-CG1 3.31Å; L567-I571 WeakPolarHBondContact O-CG1 3.42Å; L567-I571 PolarHBondContact O-N 3.13Å; R568-I571 PolarHBondContact O-N 3.48Å; Q569-I571 VanDerWaalsContact C-N 3.27Å; Q569-I571 PolarHBondContact O-N 2.8Å; I571-D573 VanDerWaalsContact C-N 3.31Å; I571-D573 PolarHBondContact O-N 3.17Å; I571-L574 PolarHBondContact O-N 3.36Å; I571-M575 HydrophobicContact CG2-CG 4.33Å; I571-M575 HydrophobicContact CG2-SD 3.59Å; I571-M575 VanDerWaalsContact CG2-SD 3.59Å; I571-M575 WeakPolarHBondContact O-CB 3.27Å; I571-M575 VanDerWaalsContact O-CG 3.26Å; I571-M575 WeakPolarHBondContact O-CG 3.47Å; I571-M575 PolarHBondContact O-N 3.33Å; I571-L580 HydrophobicContact CG1-CD2 4.37Å; I571-L580 HydrophobicContact CG2-CD2 4.06Å; I571-V595 HydrophobicContact CD1-CG1 4.4Å; I571-V595 HydrophobicContact CG2-CB 4.47Å; I571-V595 HydrophobicContact CG2-CG1 3.94Å; I571-V595 HydrophobicContact CG2-CG2 3.83Å; I571-F598 HydrophobicContact CD1-CE1 3.26Å; I571-F598 HydrophobicContact CD1-CZ 3.32Å
572H91.6Very high90.8Very high104 Ų10460.5 Ų60.548%0.48130%0.303SS..Hα-helixtrans-59.8-42176.2-84.9-66.1000112.1R568 Q569 M575 K576R568-H572 PolarHBondContact O-CD2 2.89Å; R568-H572 PolarHBondContact O-N 3.47Å; Q569-H572 WeakPolarHBondContact O-CB 3.25Å; Q569-H572 PolarHBondContact O-N 3.18Å; H572-M575 PolarHBondContact O-N 2.96Å; H572-K576 WeakPolarHBondContact O-CB 3.43Å; H572-K576 PolarHBondContact O-N 2.99Å
573D92.6Very high90.9Very high46 Ų4657.8 Ų57.825%0.24629%0.288CS..Hα-helixtrans-66.5-43.6178.4-70.4-26.9000111.7Y538 Q569 V570 I571 K576 Q577Y538-D573 PolarHBondContact OH-OD2 3.2Å; Q569-D573 PolarHBondContact O-N 3.41Å; V570-D573 PolarHBondContact O-N 2.81Å; I571-D573 VanDerWaalsContact C-N 3.31Å; I571-D573 PolarHBondContact O-N 3.17Å; D573-K576 PolarHBondContact O-N 2.99Å; D573-Q577 VanDerWaalsContact O-CG 3.24Å; D573-Q577 WeakPolarHBondContact O-CG 3.31Å; D573-Q577 PolarHBondContact O-N 3.14Å
574L92.9Very high90.7Very high1 Ų161.9 Ų61.91%0.00532%0.315CS..Hα-helixtrans-64.6-40.2175.5-73.9175.4000112.7W523 I540 M542 V549 V570 I571 Q577 G578 R579 L580W523-L574 HydrophobicContact CH2-CD1 3.77Å; W523-L574 HydrophobicContact CZ3-CD1 4.13Å; I540-L574 HydrophobicContact CD1-CD1 3.87Å; I540-L574 HydrophobicContact CD1-CD2 3.82Å; I540-L574 HydrophobicContact CD1-CG 3.88Å; I540-L574 HydrophobicContact CG2-CD2 4.49Å; M542-L574 HydrophobicContact SD-CD2 4.09Å; V549-L574 HydrophobicContact CG1-CD1 4.22Å; V570-L574 HydrophobicContact CG1-CD1 4.02Å; V570-L574 HydrophobicContact CG1-CG 4.45Å; V570-L574 WeakPolarHBondContact O-CB 3.31Å; V570-L574 WeakPolarHBondContact O-CG 3.35Å; V570-L574 PolarHBondContact O-N 3.26Å; I571-L574 PolarHBondContact O-N 3.36Å; L574-Q577 PolarHBondContact O-N 3.08Å; L574-G578 PolarHBondContact O-N 3.44Å; L574-R579 HydrophobicContact CD2-CB 4.01Å; L574-R579 PolarHBondContact O-N 3.16Å; L574-L580 HydrophobicContact CB-CB 3.9Å; L574-L580 PolarHBondContact O-N 3.31Å
575M91.6Very high90.5Very high27 Ų2762.9 Ų62.913%0.13332%0.319CS..Hα-helixtrans-65-40174.9-74.2166.860.700111.8I571 H572 Q577 G578 L580 K582 Q594 V595I571-M575 HydrophobicContact CG2-CG 4.33Å; I571-M575 HydrophobicContact CG2-SD 3.59Å; I571-M575 VanDerWaalsContact CG2-SD 3.59Å; I571-M575 WeakPolarHBondContact O-CB 3.27Å; I571-M575 VanDerWaalsContact O-CG 3.26Å; I571-M575 WeakPolarHBondContact O-CG 3.47Å; I571-M575 PolarHBondContact O-N 3.33Å; H572-M575 PolarHBondContact O-N 2.96Å; M575-Q577 VanDerWaalsContact C-N 3.29Å; M575-Q577 PolarHBondContact O-N 3.01Å; M575-G578 PolarHBondContact O-N 3.47Å; M575-G578 VanDerWaalsContact O-N 3.12Å; M575-L580 HydrophobicContact CG-CB 4.28Å; M575-L580 HydrophobicContact CG-CD2 4.35Å; M575-K582 HydrophobicContact CE-CB 4.12Å; M575-K582 HydrophobicContact CE-CG 3.81Å; M575-Q594 HydrophobicContact CE-CB 3.53Å; M575-Q594 VanDerWaalsContact CE-O 3.32Å; M575-Q594 WeakPolarHBondContact CE-O 3.49Å; M575-V595 HydrophobicContact SD-CG2 4.08Å
576K91.3Very high90.1Very high187 Ų18766.7 Ų66.781%0.81333%0.331SS*.Hα-helixtrans-65.5-33.4176.7-173.9179.6178.2-176.30112.1H572 D573 G578H572-K576 WeakPolarHBondContact O-CB 3.43Å; H572-K576 PolarHBondContact O-N 2.99Å; D573-K576 PolarHBondContact O-N 2.99Å; K576-G578 PolarHBondContact O-N 2.64Å
577Q91.1Very high89.8Confident110 Ų11075 Ų7551%0.51436%0.363SS..THydrogen-bonded Turntrans-78.2-5.5174.9-68168.82000113.2D573 L574 M575 R579D573-Q577 VanDerWaalsContact O-CG 3.24Å; D573-Q577 WeakPolarHBondContact O-CG 3.31Å; D573-Q577 PolarHBondContact O-N 3.14Å; L574-Q577 PolarHBondContact O-N 3.08Å; M575-Q577 VanDerWaalsContact C-N 3.29Å; M575-Q577 PolarHBondContact O-N 3.01Å; Q577-R579 HydrophobicContact CB-CG 4.04Å; Q577-R579 PolarHBondContact O-N 3.38Å
578G89Confident89.5Confident67 Ų6776.9 Ų76.969%0.69138%0.376SS*.THydrogen-bonded Turntrans70.812.9-175.500000114.1L574 M575 K576L574-G578 PolarHBondContact O-N 3.44Å; M575-G578 PolarHBondContact O-N 3.47Å; M575-G578 VanDerWaalsContact O-N 3.12Å; K576-G578 PolarHBondContact O-N 2.64Å
579R90.9Very high89.2Confident102 Ų10281 Ų8139%0.38541%0.405SS..SBendtrans-83.5-21.8179.9-68.6172.563.5-1772.2112.9M542 L574 Q577M542-R579 VanDerWaalsContact CE-O 3.31Å; M542-R579 WeakPolarHBondContact CE-O 3.19Å; M542-R579 HydrophobicContact SD-CB 3.99Å; L574-R579 HydrophobicContact CD2-CB 4.01Å; L574-R579 PolarHBondContact O-N 3.16Å; Q577-R579 HydrophobicContact CB-CG 4.04Å; Q577-R579 PolarHBondContact O-N 3.38Å
580L90.9Very high88.9Confident5 Ų580 Ų803%0.02641%0.406CS..SBendtrans-127.7130.6177.3-166.177.1000110V521 W523 M542 D546 I571 L574 M575V521-L580 HydrophobicContact CG1-CD1 4.28Å; V521-L580 HydrophobicContact CG2-CD1 3.8Å; W523-L580 HydrophobicContact CH2-CD2 4.29Å; W523-L580 HydrophobicContact CZ2-CD2 3.94Å; M542-L580 HydrophobicContact CE-CD1 4.39Å; D546-L580 WeakPolarHBondContact O-CD1 3.34Å; I571-L580 HydrophobicContact CG1-CD2 4.37Å; I571-L580 HydrophobicContact CG2-CD2 4.06Å; L574-L580 HydrophobicContact CB-CB 3.9Å; L574-L580 PolarHBondContact O-N 3.31Å; M575-L580 HydrophobicContact CG-CB 4.28Å; M575-L580 HydrophobicContact CG-CD2 4.35Å
581P89.1Confident88.4Confident73 Ų7385.9 Ų85.947%0.47444%0.444SS..  trans-65.6152.3176.927.1-34.1000111.3
582K89.1Confident87.9Confident146 Ų14688.8 Ų88.864%0.63547%0.474SS*.  trans-65.6144.4174.9-61.4-177178.8176.20110.5M575 P584M575-K582 HydrophobicContact CE-CB 4.12Å; M575-K582 HydrophobicContact CE-CG 3.81Å; K582-P584 VanDerWaalsContact C-CD 3.4Å; K582-P584 VanDerWaalsContact O-CD 3.24Å; K582-P584 WeakPolarHBondContact O-CD 3.49Å
583Q88.7Confident87.6Confident5 Ų586.6 Ų86.62%0.02346%0.461CS..  trans-120.367.8-177.6-61.1173.1-9.700109.9T489 N490 V521 Q585 Q594 V595 G596T489-Q583 HydrophobicContact CG2-CB 4.13Å; T489-Q583 HydrophobicContact CG2-CG 4.04Å; N490-Q583 PolarHBondContact ND2-OE1 3.16Å; N490-Q583 PolarHBondContact OD1-NE2 3.23Å; N490-Q583 PolarHBondContact OD1-OE1 2.79Å; V521-Q583 VanDerWaalsContact CG2-NE2 3.27Å; Q583-Q585 PolarHBondContact O-N 3.16Å; Q583-Q594 CarbonylContact C-O 3.31Å; Q583-Q594 VanDerWaalsContact C-O 3.31Å; Q583-Q594 WeakPolarHBondContact CA-O 3.2Å; Q583-Q594 PolarHBondContact N-O 2.87Å; Q583-Q594 CarbonylContact O-C 3.58Å; Q583-Q594 VanDerWaalsContact O-C 3.24Å; Q583-V595 CarbonylContact O-C 3.24Å; Q583-G596 PolarHBondContact O-N 3.28Å
584P86.7Confident87.4Confident87 Ų8787.6 Ų87.657%0.56547%0.465SS*.  trans-64134.3-17627.5-34.7000111.1K582 R593K582-P584 VanDerWaalsContact C-CD 3.4Å; K582-P584 VanDerWaalsContact O-CD 3.24Å; K582-P584 WeakPolarHBondContact O-CD 3.49Å; P584-R593 WeakPolarHBondContact CA-O 3.46Å
585Q83.8Confident87.1Confident43 Ų4387.9 Ų87.920%0.20147%0.466CS..  trans-104123.4171.8-68.3-162.9-43.300110Q583 R593Q583-Q585 PolarHBondContact O-N 3.16Å; Q585-R593 PolarHBondContact N-O 3.36Å; Q585-R593 VanDerWaalsContact N-O 3.15Å
586H81.3Confident86.9Confident165 Ų16586.6 Ų86.676%0.76446%0.46SS*.SBendtrans-70-39.9179.5-169.570.5000112.1
587Y84.7Confident86.8Confident203 Ų20380.2 Ų80.280%0.79644%0.435SS*.SBendtrans-105.7108.2176.7-58.1-71.6000109.6
588S85.4Confident86.8Confident42 Ų4275.5 Ų75.529%0.29441%0.412SS..  trans-153147.4175.9-159.10000110.8T590 R593S588-T590 PolarHBondContact O-N 3.45Å; S588-R593 WeakPolarHBondContact OG-CD 3.36Å
589L86Confident87.1Confident181 Ų18174.3 Ų74.395%0.94839%0.387SS*.SBendtrans-65.5-17.7169.3-67.4173.4000112.3P591L589-P591 WeakPolarHBondContact O-CD 3.11Å
590T84.7Confident87.2Confident85 Ų8569.4 Ų69.452%0.52137%0.369SS..SBendtrans-106.2104.9176-500000109.1S588 G592 R593S588-T590 PolarHBondContact O-N 3.45Å; T590-G592 PolarHBondContact O-N 2.92Å; T590-R593 WeakPolarHBondContact O-CB 3.37Å; T590-R593 PolarHBondContact O-N 3.29Å
591P81.8Confident87.3Confident124 Ų12469.2 Ų69.281%0.80537%0.368SS*.THydrogen-bonded Turntrans-55.3134.9177.6-2634.8000111.8L589 R593L589-P591 WeakPolarHBondContact O-CD 3.11Å; P591-R593 VanDerWaalsContact C-N 3.31Å; P591-R593 PolarHBondContact O-N 3.47Å
592G82.6Confident87.2Confident61 Ų6166.8 Ų66.863%0.62935%0.35SS*.THydrogen-bonded Turntrans74.314.7178.100000115.2T590 Q594T590-G592 PolarHBondContact O-N 2.92Å; G592-Q594 WeakPolarHBondContact O-CG 3.38Å; G592-Q594 PolarHBondContact O-N 2.93Å; G592-Q594 PolarHBondContact O-NE2 3.3Å
593R86.2Confident86.9Confident58 Ų5861.3 Ų61.322%0.21933%0.328CS..  trans-52.5123.2176.2-179.1173.2176161.4-8.2111.6P584 Q585 S588 T590 P591 V595 G596P584-R593 WeakPolarHBondContact CA-O 3.46Å; Q585-R593 PolarHBondContact N-O 3.36Å; Q585-R593 VanDerWaalsContact N-O 3.15Å; S588-R593 WeakPolarHBondContact OG-CD 3.36Å; T590-R593 WeakPolarHBondContact O-CB 3.37Å; T590-R593 PolarHBondContact O-N 3.29Å; P591-R593 VanDerWaalsContact C-N 3.31Å; P591-R593 PolarHBondContact O-N 3.47Å; R593-V595 WeakPolarHBondContact CG-O 3.07Å; R593-V595 PolarHBondContact NE-O 3.45Å; R593-G596 PolarHBondContact NH2-O 2.96Å; R593-G596 VanDerWaalsContact NH2-O 3.08Å
594Q87.1Confident86.2Confident68 Ų6864.3 Ų64.332%0.31834%0.342SS..  trans-104.5-2.5-177-59.8-59.7-44.600114.1M575 Q583 G592M575-Q594 HydrophobicContact CE-CB 3.53Å; M575-Q594 VanDerWaalsContact CE-O 3.32Å; M575-Q594 WeakPolarHBondContact CE-O 3.49Å; Q583-Q594 CarbonylContact C-O 3.31Å; Q583-Q594 VanDerWaalsContact C-O 3.31Å; Q583-Q594 WeakPolarHBondContact CA-O 3.2Å; Q583-Q594 PolarHBondContact N-O 2.87Å; Q583-Q594 CarbonylContact O-C 3.58Å; Q583-Q594 VanDerWaalsContact O-C 3.24Å; G592-Q594 WeakPolarHBondContact O-CG 3.38Å; G592-Q594 PolarHBondContact O-N 2.93Å; G592-Q594 PolarHBondContact O-NE2 3.3Å
595V86.9Confident85.3Confident7 Ų762.3 Ų62.34%0.04233%0.325CS..SBendtrans-109.6129.6178.6179.10000108.2I571 M575 Q583 R593 F598I571-V595 HydrophobicContact CD1-CG1 4.4Å; I571-V595 HydrophobicContact CG2-CB 4.47Å; I571-V595 HydrophobicContact CG2-CG1 3.94Å; I571-V595 HydrophobicContact CG2-CG2 3.83Å; M575-V595 HydrophobicContact SD-CG2 4.08Å; Q583-V595 CarbonylContact O-C 3.24Å; R593-V595 WeakPolarHBondContact CG-O 3.07Å; R593-V595 PolarHBondContact NE-O 3.45Å; V595-F598 HydrophobicContact CG1-CE2 3.7Å; V595-F598 HydrophobicContact CG1-CZ 3.61Å
596G87.5Confident84.5Confident0 Ų064.7 Ų64.70%034%0.336CS..  trans-63.6-175.9179.900000113.8Q583 R593Q583-G596 PolarHBondContact O-N 3.28Å; R593-G596 PolarHBondContact NH2-O 2.96Å; R593-G596 VanDerWaalsContact NH2-O 3.08Å
597D90.2Very high83.6Confident52 Ų5258.5 Ų58.528%0.27831%0.308SS..  trans-80.4158.9169.352.510.2000110.4Q488 T489 N490Q488-D597 HydrophobicContact CG-CB 4.42Å; Q488-D597 WeakPolarHBondContact CG-OD1 3.44Å; T489-D597 WeakPolarHBondContact CB-OD1 3.34Å; T489-D597 PolarHBondContact N-OD1 3.05Å; T489-D597 PolarHBondContact OG1-OD1 3.5Å; N490-D597 WeakPolarHBondContact CB-O 3.13Å; N490-D597 PolarHBondContact N-O 3.17Å; N490-D597 PolarHBondContact ND2-O 3.09Å; N490-D597 VanDerWaalsContact ND2-O 3.12Å
598F90.8Very high82.7Confident11 Ų1150.1 Ų50.15%0.04828%0.28CS..EExtended strand (participates in β ladder)trans-120.5145.6-177.4-65-90.5000109Q488 N490 V492 L567 R568 I571 V595 F600Q488-F598 PolarHBondContact NE2-O 3.13Å; N490-F598 HydrophobicContact CB-CD1 3.66Å; N490-F598 HydrophobicContact CB-CE1 3.94Å; N490-F598 HydrophobicContact CB-CG 4.37Å; N490-F598 CarbonylContact O-C 2.91Å; N490-F598 WeakPolarHBondContact O-CA 3.31Å; V492-F598 HydrophobicContact CG2-CD1 4.01Å; L567-F598 HydrophobicContact CD2-CD1 3.88Å; L567-F598 HydrophobicContact CD2-CE1 3.73Å; L567-F598 HydrophobicContact CG-CE1 4.14Å; R568-F598 HydrophobicContact CG-CE2 3.96Å; R568-F598 HydrophobicContact CG-CZ 3.99Å; I571-F598 HydrophobicContact CD1-CE1 3.26Å; I571-F598 HydrophobicContact CD1-CZ 3.32Å; V595-F598 HydrophobicContact CG1-CE2 3.7Å; V595-F598 HydrophobicContact CG1-CZ 3.61Å; F598-F600 HydrophobicContact CB-CE2 4.08Å
599R93.8Very high81.8Confident42 Ų4254.6 Ų54.616%0.15830%0.3CS..EExtended strand (participates in β ladder)trans-136.8119.7165.3-173.9170.8-76.7-174.4-2.2108.7Y487 Q488 N490 V492 E644Y487-R599 HydrophobicContact CE1-CG 4.14Å; Y487-R599 VanDerWaalsContact CZ-CD 3.5Å; Y487-R599 WeakPolarHBondContact OH-CD 3.24Å; Q488-R599 HydrophobicContact CB-CB 3.89Å; Q488-R599 HydrophobicContact CG-CB 3.7Å; N490-R599 PolarHBondContact O-N 3.07Å; V492-R599 PolarHBondContact N-O 3.03Å; R599-E644 WeakPolarHBondContact CA-O 3.4Å; R599-E644 HydrophobicContact CG-CG 4.37Å; R599-E644 IonicContact CZ-OE1 3.8Å; R599-E644 IonicContact CZ-OE2 3.13Å; R599-E644 IonicContact NE-OE1 3.21Å; R599-E644 IonicContact NE-OE2 2.66Å; R599-E644 PolarHBondContact NE-OE2 3.03Å; R599-E644 IonicContact NH2-OE1 2.72Å; R599-E644 PolarHBondContact NH2-OE1 3.04Å; R599-E644 IonicContact NH2-OE2 3.27Å; R599-E644 PolarHBondContact NH2-OE2 3.48Å
600F93.4Very high80.5Confident0 Ų048.9 Ų48.90%027%0.273CS..EExtended strand (participates in β ladder)trans-88.2119.3177.7-68.1-97.3000108.8V492 V563 N564 L567 F598 I640 E644 V645 T646V492-F600 HydrophobicContact CB-CD1 3.7Å; V492-F600 HydrophobicContact CB-CE1 3.89Å; V492-F600 HydrophobicContact CB-CG 4.21Å; V492-F600 HydrophobicContact CG1-CD1 3.68Å; V492-F600 HydrophobicContact CG1-CE1 3.6Å; V492-F600 HydrophobicContact CG1-CZ 4.5Å; V492-F600 HydrophobicContact CG2-CD1 4.38Å; V492-F600 HydrophobicContact CG2-CE1 4.2Å; V492-F600 HydrophobicContact CG2-CZ 4.39Å; V492-F600 CarbonylContact O-C 3.5Å; V492-F600 WeakPolarHBondContact O-CA 3.12Å; V563-F600 HydrophobicContact CG1-CE1 4.25Å; N564-F600 HydrophobicContact CB-CZ 4.21Å; L567-F600 HydrophobicContact CD2-CE1 4.44Å; L567-F600 HydrophobicContact CD2-CZ 4.27Å; F598-F600 HydrophobicContact CB-CE2 4.08Å; F600-I640 HydrophobicContact CB-CD1 4.18Å; F600-I640 HydrophobicContact CD1-CD1 4.21Å; F600-I640 HydrophobicContact CD1-CG2 4Å; F600-I640 HydrophobicContact CD2-CG2 4.4Å; F600-I640 HydrophobicContact CE1-CG2 3.75Å; F600-I640 HydrophobicContact CE2-CG2 4.18Å; F600-I640 HydrophobicContact CG-CD1 4.21Å; F600-I640 HydrophobicContact CG-CG2 4.33Å; F600-I640 HydrophobicContact CZ-CG2 3.85Å; F600-E644 PolarHBondContact N-O 3.4Å; F600-V645 HydrophobicContact CB-CG1 4.48Å; F600-V645 HydrophobicContact CB-CG2 4.2Å; F600-V645 CarbonylContact O-C 3.47Å; F600-V645 WeakPolarHBondContact O-CA 3.24Å; F600-T646 PolarHBondContact O-N 3.29Å
601V92.5Very high79.5Confident1 Ų145.7 Ų45.71%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-100.4108.4178.2-177.50000108.5Y487 V491 V492 F493 K517 T646 E648Y487-V601 HydrophobicContact CE1-CG2 4.19Å; V491-V601 HydrophobicContact CG1-CG2 3.93Å; V492-V601 PolarHBondContact O-N 2.78Å; F493-V601 HydrophobicContact CD1-CB 3.84Å; F493-V601 HydrophobicContact CD1-CG1 4.14Å; F493-V601 HydrophobicContact CE1-CB 3.54Å; F493-V601 HydrophobicContact CE1-CG1 3.57Å; F493-V601 HydrophobicContact CE1-CG2 4.23Å; F493-V601 HydrophobicContact CZ-CB 4.21Å; F493-V601 HydrophobicContact CZ-CG1 4.4Å; F493-V601 HydrophobicContact CZ-CG2 4.43Å; K517-V601 HydrophobicContact CD-CG2 4.32Å; V601-T646 WeakPolarHBondContact CA-O 3.36Å; V601-E648 HydrophobicContact CG1-CB 4.45Å; V601-E648 HydrophobicContact CG1-CG 3.97Å
602M88Confident78.6Confident22 Ų2247.9 Ų47.911%0.10825%0.245CC..EExtended strand (participates in β ladder)trans-96.1105.6-179.7-66.5-58.4-65.100109.6L494 Q604 P634 I640 V645 T646 Y647 E648L494-M602 HydrophobicContact CB-SD 4.23Å; L494-M602 HydrophobicContact CD1-CE 4.17Å; L494-M602 HydrophobicContact CD1-SD 3.73Å; L494-M602 HydrophobicContact CG-SD 4.02Å; M602-Q604 PolarHBondContact O-N 3.34Å; M602-P634 HydrophobicContact CE-CB 3.75Å; M602-I640 HydrophobicContact SD-CD1 4.26Å; M602-V645 HydrophobicContact CB-CG1 4.42Å; M602-V645 HydrophobicContact CG-CG1 3.62Å; M602-T646 PolarHBondContact N-O 3.15Å; M602-Y647 HydrophobicContact CB-CD1 3.48Å; M602-Y647 VanDerWaalsContact CB-CD1 3.48Å; M602-Y647 HydrophobicContact CB-CE1 3.63Å; M602-Y647 HydrophobicContact CB-CG 4.38Å; M602-Y647 HydrophobicContact CG-CD1 4.38Å; M602-Y647 HydrophobicContact CG-CE1 4.09Å; M602-Y647 WeakPolarHBondContact O-CA 3.26Å; M602-E648 PolarHBondContact O-N 3.41Å
603I82.1Confident78Confident30 Ų3046.5 Ų46.515%0.15422%0.223CC..EExtended strand (participates in β ladder)trans-76.5121.4178.2-60.3-176.3000109.4F493 Q506 F507 V650F493-I603 HydrophobicContact CD1-CD1 4.36Å; F493-I603 HydrophobicContact CE1-CD1 4.42Å; Q506-I603 HydrophobicContact CB-CD1 4.33Å; Q506-I603 HydrophobicContact CB-CG2 4.33Å; Q506-I603 HydrophobicContact CG-CD1 4.08Å; Q506-I603 HydrophobicContact CG-CG2 4.18Å; Q506-I603 WeakPolarHBondContact O-CD1 3.31Å; F507-I603 HydrophobicContact CB-CD1 4.38Å; F507-I603 HydrophobicContact CD1-CD1 3.4Å; F507-I603 HydrophobicContact CD1-CG1 4.31Å; F507-I603 HydrophobicContact CE1-CD1 3.72Å; F507-I603 HydrophobicContact CE1-CG1 4.25Å; F507-I603 HydrophobicContact CG-CD1 3.94Å; F507-I603 HydrophobicContact CZ-CD1 4.49Å; I603-V650 HydrophobicContact CG2-CB 3.97Å; I603-V650 HydrophobicContact CG2-CG2 3.62Å
604Q75.2Confident77.5Confident68 Ų6848.7 Ų48.732%0.31824%0.239SC..EExtended strand (participates in β ladder)trans-107.3112.9170.3-63.1-170.5-3.300108.5M602 E606 Y647 E648 T649 V650M602-Q604 PolarHBondContact O-N 3.34Å; Q604-E606 PolarHBondContact O-N 3.25Å; Q604-Y647 HydrophobicContact CG-CD1 3.95Å; Q604-Y647 VanDerWaalsContact NE2-CE1 3.34Å; Q604-E648 PolarHBondContact N-O 3Å; Q604-T649 WeakPolarHBondContact O-CA 3.26Å; Q604-V650 PolarHBondContact O-N 3.05Å
605E67.2Low77.2Confident46 Ų4653.7 Ų53.722%0.21526%0.26CS..EExtended strand (participates in β ladder)trans-73.1117.2171.6-69.9165.6-15200109.1Q459 Q506 L652Q459-E605 PolarHBondContact NE2-OE2 3.16Å; Q506-E605 VanDerWaalsContact CD-OE1 3.28Å; Q506-E605 PolarHBondContact NE2-OE1 3.42Å; Q506-E605 VanDerWaalsContact OE1-CD 3.32Å; Q506-E605 PolarHBondContact OE1-OE1 3.23Å; E605-L652 HydrophobicContact CG-CD1 4.41Å
606E67.6Low76.9Confident92 Ų9259.5 Ų59.543%0.4328%0.281SS..EExtended strand (participates in β ladder)trans-114.9145.5167.1-70.6-171.4171.100109.8Q604 S608 T649 V650 P651 L652Q604-E606 PolarHBondContact O-N 3.25Å; E606-S608 PolarHBondContact O-N 3.11Å; E606-T649 HydrophobicContact CB-CG2 3.54Å; E606-T649 HydrophobicContact CG-CG2 3.58Å; E606-T649 WeakPolarHBondContact OE2-CG2 3.42Å; E606-V650 PolarHBondContact N-O 3.29Å; E606-V650 VanDerWaalsContact N-O 3.17Å; E606-P651 WeakPolarHBondContact O-CA 3.34Å; E606-L652 PolarHBondContact O-N 3.29Å
607L62.6Low76.7Confident35 Ų3560.3 Ų60.318%0.18329%0.286CS..EExtended strand (participates in β ladder)trans-64.4123.2176.7-77.9145.1000110.5N609 I613 M621 V654L607-N609 PolarHBondContact O-N 3.07Å; L607-I613 HydrophobicContact CD2-CD1 2.97Å; L607-I613 HydrophobicContact CD2-CG1 4.45Å; L607-I613 HydrophobicContact CG-CD1 4.41Å; L607-M621 HydrophobicContact CD1-CB 3.11Å; L607-M621 HydrophobicContact CD1-CE 3.68Å; L607-M621 HydrophobicContact CD1-CG 3.6Å; L607-M621 HydrophobicContact CD1-SD 4.44Å; L607-M621 HydrophobicContact CD2-CE 4.34Å; L607-M621 HydrophobicContact CD2-CG 4.49Å; L607-M621 HydrophobicContact CG-CB 4.41Å; L607-M621 HydrophobicContact CG-CE 3.96Å; L607-V654 HydrophobicContact CD2-CG2 4.43Å
608S65.6Low76.3Confident28 Ų2863.6 Ų63.620%0.19629%0.294CS..  trans-67.2135.4172.1179.80000110.5E606 T610 T611E606-S608 PolarHBondContact O-N 3.11Å; S608-T610 PolarHBondContact O-N 3.2Å; S608-T610 PolarHBondContact OG-N 2.99Å; S608-T610 VanDerWaalsContact OG-N 3.15Å; S608-T610 PolarHBondContact OG-OG1 3.27Å; S608-T611 WeakPolarHBondContact CB-OG1 3.44Å; S608-T611 WeakPolarHBondContact O-CB 3.42Å; S608-T611 PolarHBondContact O-N 2.73Å; S608-T611 PolarHBondContact O-OG1 3.17Å
609N65.1Low76Confident136 Ų13668.3 Ų68.373%0.72732%0.317SS*.THydrogen-bonded Turntrans-64.8-15.4171.6-74.1-35.2000112.9L607 T611 R618L607-N609 PolarHBondContact O-N 3.07Å; N609-T611 VanDerWaalsContact C-N 3.35Å; N609-R618 PolarHBondContact OD1-NH2 3.46Å
610T60.6Low75.6Confident61 Ų6166.6 Ų66.637%0.37431%0.311SS..THydrogen-bonded Turntrans-84.9-10.5178.260.90000113.1S608 K658S608-T610 PolarHBondContact O-N 3.2Å; S608-T610 PolarHBondContact OG-N 2.99Å; S608-T610 VanDerWaalsContact OG-N 3.15Å; S608-T610 PolarHBondContact OG-OG1 3.27Å; T610-K658 VanDerWaalsContact O-CB 3.24Å; T610-K658 WeakPolarHBondContact O-CB 3.45Å; T610-K658 PolarHBondContact O-N 2.99Å
611T62Low75.1Confident18 Ų1867 Ų6711%0.1131%0.313CS..BIsolated β-bridgetrans-82.5130.7-173.9-52.40000111.2S608 N609 I613 L652 V654S608-T611 WeakPolarHBondContact CB-OG1 3.44Å; S608-T611 WeakPolarHBondContact O-CB 3.42Å; S608-T611 PolarHBondContact O-N 2.73Å; S608-T611 PolarHBondContact O-OG1 3.17Å; N609-T611 VanDerWaalsContact C-N 3.35Å; T611-I613 VanDerWaalsContact C-N 3.29Å; T611-I613 HydrophobicContact CG2-CD1 3.72Å; T611-I613 HydrophobicContact CG2-CG1 3.46Å; T611-I613 VanDerWaalsContact CG2-CG1 3.46Å; T611-I613 PolarHBondContact O-N 2.99Å; T611-L652 PolarHBondContact OG1-O 3.03Å; T611-V654 VanDerWaalsContact CG2-C 3.41Å; T611-V654 HydrophobicContact CG2-CB 3.75Å; T611-V654 HydrophobicContact CG2-CG2 4.43Å; T611-V654 WeakPolarHBondContact CG2-O 3.33Å
612R63.1Low74.6Confident169 Ų16971.8 Ų71.864%0.63834%0.335SS*.  trans-77.980.1170.5-74.9-177.7166.8-178.7-5.2110.1E656 K658R612-E656 PolarHBondContact N-O 3.27Å; R612-E656 IonicContact NH1-OE2 3.71Å; R612-K658 HydrophobicContact CG-CB 4.44Å
613I69.6Low74.4Confident33 Ų3372.3 Ų72.317%0.16934%0.343CS..  trans-97.4143.7173.3-61.2173.6000108.1L607 T611 D617 V654L607-I613 HydrophobicContact CD2-CD1 2.97Å; L607-I613 HydrophobicContact CD2-CG1 4.45Å; L607-I613 HydrophobicContact CG-CD1 4.41Å; T611-I613 VanDerWaalsContact C-N 3.29Å; T611-I613 HydrophobicContact CG2-CD1 3.72Å; T611-I613 HydrophobicContact CG2-CG1 3.46Å; T611-I613 VanDerWaalsContact CG2-CG1 3.46Å; T611-I613 PolarHBondContact O-N 2.99Å; I613-D617 HydrophobicContact CG2-CB 3.4Å; I613-V654 HydrophobicContact CD1-CB 3.69Å; I613-V654 HydrophobicContact CD1-CG1 4.47Å; I613-V654 HydrophobicContact CD1-CG2 3.51Å; I613-V654 HydrophobicContact CG1-CB 3.73Å; I613-V654 HydrophobicContact CG1-CG1 4.25Å; I613-V654 HydrophobicContact CG1-CG2 4.13Å
614D76.9Confident74.6Confident103 Ų10372.6 Ų72.655%0.55134%0.342SS*.  trans-55.5145.6172.5-177.148.5000110.7W616 D617 R618D614-W616 PolarHBondContact O-N 3.42Å; D614-W616 VanDerWaalsContact O-N 3.14Å; D614-W616 VanDerWaalsContact OD2-CB 3.22Å; D614-W616 WeakPolarHBondContact OD2-CB 3.39Å; D614-W616 PolarHBondContact OD2-N 3.24Å; D614-D617 PolarHBondContact O-N 2.86Å; D614-R618 PolarHBondContact O-N 3.47Å; D614-R618 VanDerWaalsContact O-N 3.12Å
615K80.4Confident74.7Confident174 Ų17472.3 Ų72.376%0.75734%0.342SS*.Hα-helixtrans-57.2-35.2-175.9-70.9-177-178.9177.50111.4Q619K615-Q619 WeakPolarHBondContact O-CG 3.39Å; K615-Q619 PolarHBondContact O-N 3.2Å
616W81.5Confident75.3Confident128 Ų12872.5 Ų72.549%0.48535%0.352SS..Hα-helixtrans-66.3-48.5179.5-172.9-110.8000112.2Y450 D614 R618 Q619 V620Y450-W616 HydrophobicContact CE1-CZ2 4.08Å; Y450-W616 AromaticContact CE1-NE1 3.84Å; Y450-W616 AromaticContact CZ-NE1 3.89Å; Y450-W616 PolarHBondContact OH-NE1 3.05Å; D614-W616 PolarHBondContact O-N 3.42Å; D614-W616 VanDerWaalsContact O-N 3.14Å; D614-W616 VanDerWaalsContact OD2-CB 3.22Å; D614-W616 WeakPolarHBondContact OD2-CB 3.39Å; D614-W616 PolarHBondContact OD2-N 3.24Å; W616-R618 VanDerWaalsContact C-N 3.27Å; W616-R618 PolarHBondContact O-N 3.18Å; W616-Q619 WeakPolarHBondContact O-CB 3.41Å; W616-Q619 PolarHBondContact O-N 3.41Å; W616-V620 WeakPolarHBondContact O-CG2 3.48Å; W616-V620 PolarHBondContact O-N 3.1Å
617D82.7Confident76Confident18 Ų1870.7 Ų70.710%0.09634%0.344CS..Hα-helixtrans-63.8-35.1-179.7-72.1-19.8000112R454 V458 I613 D614 V620 M621R454-D617 IonicContact CZ-OD1 3.93Å; R454-D617 IonicContact CZ-OD2 2.94Å; R454-D617 IonicContact NE-OD1 2.78Å; R454-D617 PolarHBondContact NE-OD1 3.16Å; R454-D617 IonicContact NE-OD2 3.53Å; R454-D617 IonicContact NH2-OD1 3.65Å; R454-D617 PolarHBondContact NH2-OD1 3.05Å; R454-D617 IonicContact NH2-OD2 2.87Å; R454-D617 PolarHBondContact NH2-OD2 3.48Å; V458-D617 HydrophobicContact CG2-CB 4.18Å; I613-D617 HydrophobicContact CG2-CB 3.4Å; D614-D617 PolarHBondContact O-N 2.86Å; D617-V620 PolarHBondContact O-N 3.37Å; D617-M621 WeakPolarHBondContact O-CB 3.47Å; D617-M621 WeakPolarHBondContact O-CG 3.4Å; D617-M621 PolarHBondContact O-N 3.42Å
618R80.9Confident76.6Confident120 Ų12073.9 Ų73.945%0.45336%0.357SS..Hα-helixtrans-61.4-44.4171.8-174.5177.7-178.9161.66.7111.9N609 D614 W616 M621 Q622N609-R618 PolarHBondContact OD1-NH2 3.46Å; D614-R618 PolarHBondContact O-N 3.47Å; D614-R618 VanDerWaalsContact O-N 3.12Å; W616-R618 VanDerWaalsContact C-N 3.27Å; W616-R618 PolarHBondContact O-N 3.18Å; R618-M621 PolarHBondContact O-N 3.07Å; R618-Q622 WeakPolarHBondContact O-CB 3.44Å; R618-Q622 VanDerWaalsContact O-CG 3.31Å; R618-Q622 WeakPolarHBondContact O-CG 3.42Å; R618-Q622 PolarHBondContact O-N 3.47Å
619Q85Confident76.8Confident111 Ų11182.8 Ų82.852%0.51939%0.386SS..Hα-helixtrans-64.6-45.7177.8-73.3177.7-1000111.7K615 W616 M621 Q622 A623K615-Q619 WeakPolarHBondContact O-CG 3.39Å; K615-Q619 PolarHBondContact O-N 3.2Å; W616-Q619 WeakPolarHBondContact O-CB 3.41Å; W616-Q619 PolarHBondContact O-N 3.41Å; Q619-M621 VanDerWaalsContact C-N 3.31Å; Q619-M621 PolarHBondContact O-N 2.89Å; Q619-Q622 PolarHBondContact O-N 3.45Å; Q619-A623 WeakPolarHBondContact O-CB 3.3Å; Q619-A623 PolarHBondContact O-N 3.4Å
620V86Confident77.1Confident6 Ų684.5 Ų84.54%0.03639%0.389CS..Hα-helixtrans-54.9-47.9176.7165.80000111.1Y450 I451 R454 W616 D617 A623 R624Y450-V620 HydrophobicContact CE1-CG2 4.36Å; I451-V620 HydrophobicContact CG2-CG1 4.32Å; I451-V620 WeakPolarHBondContact CG2-O 3.45Å; I451-V620 WeakPolarHBondContact O-CG1 3.07Å; R454-V620 HydrophobicContact CB-CG1 3.96Å; R454-V620 HydrophobicContact CG-CG1 3.96Å; R454-V620 HydrophobicContact CG-CG2 4.3Å; W616-V620 WeakPolarHBondContact O-CG2 3.48Å; W616-V620 PolarHBondContact O-N 3.1Å; D617-V620 PolarHBondContact O-N 3.37Å; V620-A623 WeakPolarHBondContact O-CB 3.25Å; V620-A623 PolarHBondContact O-N 3.21Å; V620-R624 PolarHBondContact O-N 2.83Å
621M81.5Confident77.3Confident8 Ų883.6 Ų83.64%0.03938%0.384CS..Hα-helixtrans-69.5-37.9-179.1-66.6-82-59.600112.9S455 V458 Q459 L607 D617 R618 Q619 A623 R624 L625 L652S455-M621 PolarHBondContact OG-SD 2.92Å; V458-M621 HydrophobicContact CB-SD 4.41Å; V458-M621 HydrophobicContact CG1-SD 4.31Å; Q459-M621 HydrophobicContact CG-CE 4.21Å; L607-M621 HydrophobicContact CD1-CB 3.11Å; L607-M621 HydrophobicContact CD1-CE 3.68Å; L607-M621 HydrophobicContact CD1-CG 3.6Å; L607-M621 HydrophobicContact CD1-SD 4.44Å; L607-M621 HydrophobicContact CD2-CE 4.34Å; L607-M621 HydrophobicContact CD2-CG 4.49Å; L607-M621 HydrophobicContact CG-CB 4.41Å; L607-M621 HydrophobicContact CG-CE 3.96Å; D617-M621 WeakPolarHBondContact O-CB 3.47Å; D617-M621 WeakPolarHBondContact O-CG 3.4Å; D617-M621 PolarHBondContact O-N 3.42Å; R618-M621 PolarHBondContact O-N 3.07Å; Q619-M621 VanDerWaalsContact C-N 3.31Å; Q619-M621 PolarHBondContact O-N 2.89Å; M621-A623 VanDerWaalsContact C-N 3.31Å; M621-A623 PolarHBondContact O-N 3.38Å; M621-R624 PolarHBondContact O-N 2.67Å; M621-L625 WeakPolarHBondContact O-CG 3.42Å; M621-L625 PolarHBondContact O-N 3.48Å; M621-L652 HydrophobicContact CE-CD2 4.09Å
622Q82.6Confident77.3Confident101 Ų10186.2 Ų86.247%0.47240%0.4SS..Hα-helixtrans-61.3-41.5172.6-76.2178.1-1800111.4R618 Q619 L625 A626R618-Q622 WeakPolarHBondContact O-CB 3.44Å; R618-Q622 VanDerWaalsContact O-CG 3.31Å; R618-Q622 WeakPolarHBondContact O-CG 3.42Å; R618-Q622 PolarHBondContact O-N 3.47Å; Q619-Q622 PolarHBondContact O-N 3.45Å; Q622-L625 PolarHBondContact O-N 3.09Å; Q622-A626 PolarHBondContact O-N 3.49Å
623A84.7Confident77.5Confident33 Ų3381.3 Ų81.327%0.27339%0.389SS..Hα-helixtrans-62.4-44.117500000111.6I451 Q619 V620 M621 L625 A626 I627I451-A623 HydrophobicContact CD1-CB 3.9Å; I451-A623 HydrophobicContact CG1-CB 4.41Å; I451-A623 HydrophobicContact CG2-CB 4.25Å; Q619-A623 WeakPolarHBondContact O-CB 3.3Å; Q619-A623 PolarHBondContact O-N 3.4Å; V620-A623 WeakPolarHBondContact O-CB 3.25Å; V620-A623 PolarHBondContact O-N 3.21Å; M621-A623 VanDerWaalsContact C-N 3.31Å; M621-A623 PolarHBondContact O-N 3.38Å; A623-L625 VanDerWaalsContact C-N 3.33Å; A623-L625 PolarHBondContact O-N 3.12Å; A623-A626 PolarHBondContact O-N 3.43Å; A623-I627 WeakPolarHBondContact O-CG1 3.46Å; A623-I627 PolarHBondContact O-N 3.22Å
624R85.2Confident77.6Confident36 Ų3681.6 Ų81.614%0.13639%0.393CS..Hα-helixtrans-57.2-45.7173.7-178.9-179.2178.1-1761.1111.8I451 W452 S455 N456 V620 M621 I627 K628I451-R624 HydrophobicContact CG2-CB 3.87Å; W452-R624 HydrophobicContact CD2-CG 4.39Å; W452-R624 HydrophobicContact CH2-CG 4.14Å; W452-R624 HydrophobicContact CZ2-CG 3.98Å; W452-R624 HydrophobicContact CZ3-CG 4.41Å; S455-R624 VanDerWaalsContact CB-CD 3.48Å; S455-R624 WeakPolarHBondContact OG-CD 3.46Å; S455-R624 PolarHBondContact OG-NH1 3.4Å; N456-R624 VanDerWaalsContact OD1-CZ 3.27Å; N456-R624 PolarHBondContact OD1-NH1 3.26Å; N456-R624 PolarHBondContact OD1-NH2 2.75Å; V620-R624 PolarHBondContact O-N 2.83Å; M621-R624 PolarHBondContact O-N 2.67Å; R624-I627 PolarHBondContact O-N 3.15Å; R624-K628 VanDerWaalsContact O-CB 3.29Å; R624-K628 WeakPolarHBondContact O-CB 3.38Å; R624-K628 PolarHBondContact O-N 3.37Å
625L77.5Confident77.6Confident62 Ų6279 Ų7933%0.32538%0.377SS..Hα-helixtrans-63.9-41.3179.2-70.5172.8000111.8M621 Q622 A623 I627 K628 R629M621-L625 WeakPolarHBondContact O-CG 3.42Å; M621-L625 PolarHBondContact O-N 3.48Å; Q622-L625 PolarHBondContact O-N 3.09Å; A623-L625 VanDerWaalsContact C-N 3.33Å; A623-L625 PolarHBondContact O-N 3.12Å; L625-I627 PolarHBondContact O-N 3.47Å; L625-K628 PolarHBondContact O-N 2.65Å; L625-R629 WeakPolarHBondContact O-CG 3.39Å; L625-R629 PolarHBondContact O-N 3.12Å; L625-R629 VanDerWaalsContact O-N 3.13Å
626A80.8Confident77.3Confident50 Ų5079.7 Ų79.741%0.41338%0.375SS..Hα-helixtrans-61.7-42.4176.500000112.2Q622 A623 H630Q622-A626 PolarHBondContact O-N 3.49Å; A623-A626 PolarHBondContact O-N 3.43Å; A626-H630 PolarHBondContact O-ND1 3.42Å; A626-H630 VanDerWaalsContact O-ND1 3.1Å
627I80.9Confident76.9Confident54 Ų5477 Ų7728%0.27737%0.365SS..Hα-helixtrans-69.7-42.3176.8-61.3164.8000110.2I451 W452 A623 R624 L625 R629 H630I451-I627 HydrophobicContact CD1-CD1 4.39Å; W452-I627 HydrophobicContact CH2-CB 3.61Å; W452-I627 HydrophobicContact CH2-CD1 4.47Å; W452-I627 HydrophobicContact CH2-CG2 3.41Å; W452-I627 VanDerWaalsContact CH2-CG2 3.41Å; W452-I627 HydrophobicContact CZ3-CB 3.76Å; W452-I627 HydrophobicContact CZ3-CD1 3.72Å; W452-I627 HydrophobicContact CZ3-CG1 4.34Å; W452-I627 HydrophobicContact CZ3-CG2 3.62Å; A623-I627 WeakPolarHBondContact O-CG1 3.46Å; A623-I627 PolarHBondContact O-N 3.22Å; R624-I627 PolarHBondContact O-N 3.15Å; L625-I627 PolarHBondContact O-N 3.47Å; I627-R629 PolarHBondContact O-N 3.11Å; I627-H630 PolarHBondContact O-N 2.98Å
628K75.4Confident76.9Confident102 Ų10277.3 Ų77.344%0.44337%0.365SS..Hα-helixtrans-60-30.8179.7-168.6-178.2179.1-172.70112.8R624 L625 H630 T631R624-K628 VanDerWaalsContact O-CB 3.29Å; R624-K628 WeakPolarHBondContact O-CB 3.38Å; R624-K628 PolarHBondContact O-N 3.37Å; L625-K628 PolarHBondContact O-N 2.65Å; K628-H630 PolarHBondContact O-N 3.28Å; K628-H630 VanDerWaalsContact O-N 3.13Å; K628-T631 WeakPolarHBondContact CA-OG1 3.35Å; K628-T631 PolarHBondContact O-N 2.82Å; K628-T631 PolarHBondContact O-OG1 2.9Å
629R71.3Confident76.8Confident216 Ų21672.2 Ų72.282%0.81535%0.35SS*.THydrogen-bonded Turntrans-58.5-23.6174.8-74.3174.7-176.2-173.70.3113.7L625 I627L625-R629 WeakPolarHBondContact O-CG 3.39Å; L625-R629 PolarHBondContact O-N 3.12Å; L625-R629 VanDerWaalsContact O-N 3.13Å; I627-R629 PolarHBondContact O-N 3.11Å
630H70.4Confident76.8Confident172 Ų17266.9 Ų66.980%0.79633%0.325SS*.THydrogen-bonded Turntrans-94.81.8177.3-60.185.1000113A626 I627 K628A626-H630 PolarHBondContact O-ND1 3.42Å; A626-H630 VanDerWaalsContact O-ND1 3.1Å; I627-H630 PolarHBondContact O-N 2.98Å; K628-H630 PolarHBondContact O-N 3.28Å; K628-H630 VanDerWaalsContact O-N 3.13Å
631T65.6Low76.5Confident42 Ų4270.4 Ų70.426%0.25834%0.341SS..SBendtrans-100.6163.6179.865.10000111.9P336 K628P336-T631 HydrophobicContact CB-CG2 4.03Å; P336-T631 HydrophobicContact CG-CG2 4.49Å; K628-T631 WeakPolarHBondContact CA-OG1 3.35Å; K628-T631 PolarHBondContact O-N 2.82Å; K628-T631 PolarHBondContact O-OG1 2.9Å
632V61.4Low76.5Confident73 Ų7380 Ų8044%0.44238%0.378SS..PPolyproline II helixtrans-58.8139.2-175.3-176.50000111.6R636V632-R636 HydrophobicContact CG1-CB 4.47Å
633T67.5Low76.7Confident66 Ų6676.2 Ų76.241%0.40536%0.363SS..PPolyproline II helixtrans-67.3139.3176.155.30000111.1E635 R636T633-E635 PolarHBondContact O-N 2.96Å; T633-E635 VanDerWaalsContact O-N 3.14Å; T633-R636 PolarHBondContact O-N 2.55Å
634P72.4Confident76.9Confident39 Ų3978.8 Ų78.825%0.25337%0.369SS..Hα-helixtrans-56-29.4179.5-27.935.7000114.7M602 W637 F638M602-P634 HydrophobicContact CE-CB 3.75Å; P634-W637 VanDerWaalsContact O-CB 3.3Å; P634-W637 WeakPolarHBondContact O-CB 3.24Å; P634-W637 PolarHBondContact O-N 2.93Å; P634-W637 VanDerWaalsContact O-N 3.14Å; P634-F638 WeakPolarHBondContact O-CD2 3.19Å; P634-F638 PolarHBondContact O-N 2.74Å
635E75.8Confident77.1Confident49 Ų4978.6 Ų78.623%0.22937%0.372CS..Hα-helixtrans-57.1-52.6-179.8-77.1159.7-158.600113.4T633 W637 F638 G639 I640 E641 V645 Y647T633-E635 PolarHBondContact O-N 2.96Å; T633-E635 VanDerWaalsContact O-N 3.14Å; E635-W637 PolarHBondContact O-N 2.97Å; E635-F638 PolarHBondContact O-N 3.2Å; E635-G639 PolarHBondContact O-N 3.49Å; E635-I640 HydrophobicContact CB-CG1 4.26Å; E635-I640 HydrophobicContact CG-CG1 4.31Å; E635-I640 WeakPolarHBondContact O-CG1 3.09Å; E635-I640 PolarHBondContact O-N 3.49Å; E635-E641 HydrophobicContact CB-CB 4.43Å; E635-V645 HydrophobicContact CG-CG1 4.28Å; E635-V645 HydrophobicContact CG-CG2 4.22Å; E635-Y647 VanDerWaalsContact CG-OH 3.28Å; E635-Y647 WeakPolarHBondContact CG-OH 3.18Å; E635-Y647 WeakPolarHBondContact OE1-CE2 3.32Å; E635-Y647 PolarHBondContact OE1-OH 3.13Å
636R75.3Confident77.7Confident188 Ų18877.5 Ų77.571%0.70937%0.368SS*.Hα-helixtrans-67.2-22.1178.9-70.8-176.9178.2172.70.3112.2V632 T633 E641V632-R636 HydrophobicContact CG1-CB 4.47Å; T633-R636 PolarHBondContact O-N 2.55Å; R636-E641 HydrophobicContact CG-CB 4.49Å
637W72.2Confident78Confident70 Ų7079 Ų7927%0.26536%0.363SS..Hα-helixtrans-72.1-42.6177.5-173.7-82.2000111.5M338 R339 P634 E635M338-W637 WeakPolarHBondContact O-CH2 3.1Å; M338-W637 WeakPolarHBondContact O-CZ3 3.36Å; R339-W637 HydrophobicContact CB-CZ3 4.44Å; P634-W637 VanDerWaalsContact O-CB 3.3Å; P634-W637 WeakPolarHBondContact O-CB 3.24Å; P634-W637 PolarHBondContact O-N 2.93Å; P634-W637 VanDerWaalsContact O-N 3.14Å; E635-W637 PolarHBondContact O-N 2.97Å
638F81.7Confident78.3Confident26 Ų2677.5 Ų77.511%0.11436%0.355CS..THydrogen-bonded Turntrans-97.711.8-176.2-66.4-69.2000113.7L494 V527 Q561 V563 P634 E635 I640L494-F638 HydrophobicContact CD1-CB 3.9Å; L494-F638 HydrophobicContact CD1-CD1 4.06Å; L494-F638 HydrophobicContact CD1-CD2 3.36Å; L494-F638 HydrophobicContact CD1-CE1 4.42Å; L494-F638 HydrophobicContact CD1-CE2 3.79Å; L494-F638 HydrophobicContact CD1-CG 3.5Å; L494-F638 HydrophobicContact CD1-CZ 4.3Å; V527-F638 HydrophobicContact CB-CE1 4.36Å; V527-F638 HydrophobicContact CG2-CD1 4.25Å; V527-F638 HydrophobicContact CG2-CE1 4.07Å; Q561-F638 CarbonylContact O-C 3.48Å; Q561-F638 WeakPolarHBondContact O-CA 3.29Å; V563-F638 HydrophobicContact CB-CB 4.46Å; V563-F638 HydrophobicContact CG2-CB 3.92Å; V563-F638 HydrophobicContact CG2-CD1 3.77Å; V563-F638 HydrophobicContact CG2-CG 4.27Å; V563-F638 PolarHBondContact N-O 3.47Å; P634-F638 WeakPolarHBondContact O-CD2 3.19Å; P634-F638 PolarHBondContact O-N 2.74Å; E635-F638 PolarHBondContact O-N 3.2Å; F638-I640 VanDerWaalsContact C-N 3.26Å; F638-I640 HydrophobicContact CB-CD1 4.42Å; F638-I640 HydrophobicContact CB-CG1 4.3Å; F638-I640 HydrophobicContact CB-CG2 4.38Å; F638-I640 WeakPolarHBondContact O-CG2 3.33Å; F638-I640 PolarHBondContact O-N 3.2Å
639G80.4Confident78.5Confident12 Ų1275.5 Ų75.512%0.12435%0.352CS..THydrogen-bonded Turntrans58.236-179.600000113.4E635 E641E635-G639 PolarHBondContact O-N 3.49Å; G639-E641 VanDerWaalsContact CA-OE2 3.26Å; G639-E641 WeakPolarHBondContact CA-OE2 3.17Å
640I84.1Confident78.7Confident0 Ų065.7 Ų65.70%032%0.316CS..  trans-11312.7-177.362.9174.5000113.2L494 V563 N564 F600 M602 E635 F638 Y642 S643 V645L494-I640 HydrophobicContact CD1-CD1 4.23Å; V563-I640 HydrophobicContact CB-CG2 4.43Å; N564-I640 HydrophobicContact CB-CG2 4.19Å; F600-I640 HydrophobicContact CB-CD1 4.18Å; F600-I640 HydrophobicContact CD1-CD1 4.21Å; F600-I640 HydrophobicContact CD1-CG2 4Å; F600-I640 HydrophobicContact CD2-CG2 4.4Å; F600-I640 HydrophobicContact CE1-CG2 3.75Å; F600-I640 HydrophobicContact CE2-CG2 4.18Å; F600-I640 HydrophobicContact CG-CD1 4.21Å; F600-I640 HydrophobicContact CG-CG2 4.33Å; F600-I640 HydrophobicContact CZ-CG2 3.85Å; M602-I640 HydrophobicContact SD-CD1 4.26Å; E635-I640 HydrophobicContact CB-CG1 4.26Å; E635-I640 HydrophobicContact CG-CG1 4.31Å; E635-I640 WeakPolarHBondContact O-CG1 3.09Å; E635-I640 PolarHBondContact O-N 3.49Å; F638-I640 VanDerWaalsContact C-N 3.26Å; F638-I640 HydrophobicContact CB-CD1 4.42Å; F638-I640 HydrophobicContact CB-CG1 4.3Å; F638-I640 HydrophobicContact CB-CG2 4.38Å; F638-I640 WeakPolarHBondContact O-CG2 3.33Å; F638-I640 PolarHBondContact O-N 3.2Å; I640-Y642 PolarHBondContact O-N 3.32Å; I640-S643 WeakPolarHBondContact O-CB 3.45Å; I640-S643 PolarHBondContact O-N 3.19Å; I640-V645 HydrophobicContact CB-CG2 4.41Å; I640-V645 HydrophobicContact CD1-CG2 4.06Å; I640-V645 HydrophobicContact CG1-CG2 4.18Å; I640-V645 WeakPolarHBondContact O-CG2 3.08Å
641E79.8Confident78.7Confident79 Ų7959.4 Ų59.437%0.36929%0.29SS..THydrogen-bonded Turntrans-62.9-21.4-177.762.6-92.9-148.300114.8E635 R636 G639E635-E641 HydrophobicContact CB-CB 4.43Å; R636-E641 HydrophobicContact CG-CB 4.49Å; G639-E641 VanDerWaalsContact CA-OE2 3.26Å; G639-E641 WeakPolarHBondContact CA-OE2 3.17Å
642Y82.4Confident78.7Confident210 Ų21058 Ų5882%0.82428%0.281SS*.THydrogen-bonded Turntrans-103.54.3175.7-55.9-68.8000113.1I640I640-Y642 PolarHBondContact O-N 3.32Å
643S85.6Confident78.9Confident22 Ų2258.4 Ų58.415%0.15428%0.28CS..SBendtrans-91.7163.3175.2-61.50000110.5N564 I640 V645N564-S643 VanDerWaalsContact CG-OG 3.3Å; N564-S643 PolarHBondContact ND2-OG 3.33Å; I640-S643 WeakPolarHBondContact O-CB 3.45Å; I640-S643 PolarHBondContact O-N 3.19Å; S643-V645 PolarHBondContact O-N 2.83Å
644E89.9Confident78.5Confident87 Ų8756.6 Ų56.641%0.40727%0.269SS..  trans-74.9111.5170.3-165.5174.6-152.600109.5Q488 R599 F600Q488-E644 PolarHBondContact NE2-OE2 3Å; Q488-E644 VanDerWaalsContact NE2-OE2 3.16Å; R599-E644 WeakPolarHBondContact CA-O 3.4Å; R599-E644 HydrophobicContact CG-CG 4.37Å; R599-E644 IonicContact CZ-OE1 3.8Å; R599-E644 IonicContact CZ-OE2 3.13Å; R599-E644 IonicContact NE-OE1 3.21Å; R599-E644 IonicContact NE-OE2 2.66Å; R599-E644 PolarHBondContact NE-OE2 3.03Å; R599-E644 IonicContact NH2-OE1 2.72Å; R599-E644 PolarHBondContact NH2-OE1 3.04Å; R599-E644 IonicContact NH2-OE2 3.27Å; R599-E644 PolarHBondContact NH2-OE2 3.48Å; F600-E644 PolarHBondContact N-O 3.4Å
645V89.2Confident78.1Confident32 Ų3257.8 Ų57.819%0.19429%0.288CS..EExtended strand (participates in β ladder)trans-116129.8-177.8-173.60000109.5F600 M602 E635 I640 S643 Y647F600-V645 HydrophobicContact CB-CG1 4.48Å; F600-V645 HydrophobicContact CB-CG2 4.2Å; F600-V645 CarbonylContact O-C 3.47Å; F600-V645 WeakPolarHBondContact O-CA 3.24Å; M602-V645 HydrophobicContact CB-CG1 4.42Å; M602-V645 HydrophobicContact CG-CG1 3.62Å; E635-V645 HydrophobicContact CG-CG1 4.28Å; E635-V645 HydrophobicContact CG-CG2 4.22Å; I640-V645 HydrophobicContact CB-CG2 4.41Å; I640-V645 HydrophobicContact CD1-CG2 4.06Å; I640-V645 HydrophobicContact CG1-CG2 4.18Å; I640-V645 WeakPolarHBondContact O-CG2 3.08Å; S643-V645 PolarHBondContact O-N 2.83Å; V645-Y647 HydrophobicContact CG1-CE2 4.3Å
646T90.5Very high77.3Confident38 Ų3862.1 Ų62.123%0.23331%0.308CS..EExtended strand (participates in β ladder)trans-116.2124173.5-58.70000109.1F600 V601 M602 E648F600-T646 PolarHBondContact O-N 3.29Å; V601-T646 WeakPolarHBondContact CA-O 3.36Å; M602-T646 PolarHBondContact N-O 3.15Å; T646-E648 HydrophobicContact CG2-CG 4.22Å
647Y86.4Confident76.7Confident81 Ų8156.7 Ų56.732%0.31830%0.296SS..EExtended strand (participates in β ladder)trans-88127.4170.6-68.3-79.2000110.2M602 Q604 E635 V645M602-Y647 HydrophobicContact CB-CD1 3.48Å; M602-Y647 VanDerWaalsContact CB-CD1 3.48Å; M602-Y647 HydrophobicContact CB-CE1 3.63Å; M602-Y647 HydrophobicContact CB-CG 4.38Å; M602-Y647 HydrophobicContact CG-CD1 4.38Å; M602-Y647 HydrophobicContact CG-CE1 4.09Å; M602-Y647 WeakPolarHBondContact O-CA 3.26Å; Q604-Y647 HydrophobicContact CG-CD1 3.95Å; Q604-Y647 VanDerWaalsContact NE2-CE1 3.34Å; E635-Y647 VanDerWaalsContact CG-OH 3.28Å; E635-Y647 WeakPolarHBondContact CG-OH 3.18Å; E635-Y647 WeakPolarHBondContact OE1-CE2 3.32Å; E635-Y647 PolarHBondContact OE1-OH 3.13Å; V645-Y647 HydrophobicContact CG1-CE2 4.3Å
648E86Confident76.2Confident24 Ų2459.5 Ų59.511%0.11231%0.31CS..EExtended strand (participates in β ladder)trans-118.1126.8175.3-67.9-163.4164.500111S510 K517 V601 M602 Q604 T646S510-E648 PolarHBondContact OG-OE2 3.03Å; K517-E648 WeakPolarHBondContact CE-OE1 3.21Å; K517-E648 IonicContact NZ-OE1 2.7Å; K517-E648 PolarHBondContact NZ-OE1 3.45Å; K517-E648 IonicContact NZ-OE2 3.51Å; K517-E648 PolarHBondContact NZ-OE2 2.78Å; V601-E648 HydrophobicContact CG1-CB 4.45Å; V601-E648 HydrophobicContact CG1-CG 3.97Å; M602-E648 PolarHBondContact O-N 3.41Å; Q604-E648 PolarHBondContact N-O 3Å; T646-E648 HydrophobicContact CG2-CG 4.22Å
649T80.1Confident75.5Confident60 Ų6066.3 Ų66.337%0.36834%0.34SS..EExtended strand (participates in β ladder)trans-84.4116.7173.2-520000110.1K514 Q604 E606K514-T649 VanDerWaalsContact CE-O 3.29Å; K514-T649 WeakPolarHBondContact CE-O 3.38Å; K514-T649 PolarHBondContact NZ-O 3.42Å; Q604-T649 WeakPolarHBondContact O-CA 3.26Å; E606-T649 HydrophobicContact CB-CG2 3.54Å; E606-T649 HydrophobicContact CG-CG2 3.58Å; E606-T649 WeakPolarHBondContact OE2-CG2 3.42Å
650V75.3Confident75Confident9 Ų971.3 Ų71.36%0.05537%0.368CS..EExtended strand (participates in β ladder)trans-105.3127.8173.1178.50000108.4Q506 Y509 I603 Q604 E606 L652Q506-V650 HydrophobicContact CB-CB 4.47Å; Q506-V650 HydrophobicContact CB-CG1 3.94Å; Y509-V650 HydrophobicContact CD1-CG1 3.78Å; Y509-V650 HydrophobicContact CD1-CG2 4.16Å; Y509-V650 HydrophobicContact CE1-CG1 4.08Å; I603-V650 HydrophobicContact CG2-CB 3.97Å; I603-V650 HydrophobicContact CG2-CG2 3.62Å; Q604-V650 PolarHBondContact O-N 3.05Å; E606-V650 PolarHBondContact N-O 3.29Å; E606-V650 VanDerWaalsContact N-O 3.17Å; V650-L652 PolarHBondContact O-N 2.61Å
651P71.5Confident74.5Confident41 Ų4182.4 Ų82.427%0.26641%0.41SS..EExtended strand (participates in β ladder)trans-65.2120.7177.225.7-32.5000110E606 I653E606-P651 WeakPolarHBondContact O-CA 3.34Å; P651-I653 HydrophobicContact CB-CG1 4.42Å; P651-I653 PolarHBondContact O-N 2.85Å
652L65.9Low74.4Confident11 Ų1186.9 Ų86.96%0.05844%0.436CS..EExtended strand (participates in β ladder)trans-76.6102.5167.4-168.375000108.3Q459 A462 E605 E606 T611 M621 V650 V654Q459-L652 HydrophobicContact CG-CD2 3.97Å; A462-L652 HydrophobicContact CB-CD1 3.93Å; A462-L652 HydrophobicContact CB-CD2 4.38Å; A462-L652 HydrophobicContact CB-CG 4.02Å; E605-L652 HydrophobicContact CG-CD1 4.41Å; E606-L652 PolarHBondContact O-N 3.29Å; T611-L652 PolarHBondContact OG1-O 3.03Å; M621-L652 HydrophobicContact CE-CD2 4.09Å; V650-L652 PolarHBondContact O-N 2.61Å; L652-V654 HydrophobicContact CD2-CG2 3.88Å; L652-V654 HydrophobicContact CG-CG2 3.93Å; L652-V654 PolarHBondContact O-N 3.17Å
653I63.9Low74.4Confident83 Ų8386.2 Ų86.243%0.42644%0.437SS..  trans-90.197177.4-58.5168000108.4P651 T657P651-I653 HydrophobicContact CB-CG1 4.42Å; P651-I653 PolarHBondContact O-N 2.85Å; I653-T657 HydrophobicContact CG2-CG2 3.68Å
654V60.9Low74.4Confident28 Ų2893 Ų9317%0.1747%0.466CS..  trans-92.2100.7175.8-170.20000110.6V458 A462 L607 T611 I613 L652V458-V654 HydrophobicContact CG1-CG1 4.28Å; V458-V654 HydrophobicContact CG1-CG2 4.08Å; A462-V654 HydrophobicContact CB-CB 4.13Å; A462-V654 HydrophobicContact CB-CG1 4.23Å; A462-V654 HydrophobicContact CB-CG2 3.66Å; L607-V654 HydrophobicContact CD2-CG2 4.43Å; T611-V654 VanDerWaalsContact CG2-C 3.41Å; T611-V654 HydrophobicContact CG2-CB 3.75Å; T611-V654 HydrophobicContact CG2-CG2 4.43Å; T611-V654 WeakPolarHBondContact CG2-O 3.33Å; I613-V654 HydrophobicContact CD1-CB 3.69Å; I613-V654 HydrophobicContact CD1-CG1 4.47Å; I613-V654 HydrophobicContact CD1-CG2 3.51Å; I613-V654 HydrophobicContact CG1-CB 3.73Å; I613-V654 HydrophobicContact CG1-CG1 4.25Å; I613-V654 HydrophobicContact CG1-CG2 4.13Å; L652-V654 HydrophobicContact CD2-CG2 3.88Å; L652-V654 HydrophobicContact CG-CG2 3.93Å; L652-V654 PolarHBondContact O-N 3.17Å
655G62.5Low74.2Confident63 Ų6399 Ų9965%0.64949%0.485SS*.SBendtrans77.7-149.1178.300000114.2
656E59.6Low73.8Confident140 Ų140106.3 Ų106.365%0.65451%0.514SS*.  trans-71.6130.5-173.8-68.8-173172.500113R612 K658R612-E656 PolarHBondContact N-O 3.27Å; R612-E656 IonicContact NH1-OE2 3.71Å; E656-K658 PolarHBondContact O-N 3.19Å
657T62.5Low72.9Confident75 Ų75116.1 Ų116.146%0.4656%0.558SS.*BIsolated β-bridgetrans-70.5128.816955.50000110.3I653 K659I653-T657 HydrophobicContact CG2-CG2 3.68Å; T657-K659 PolarHBondContact O-N 3.35Å
658K62.3Low72.3Confident128 Ų128117.9 Ų117.956%0.55757%0.57SS**  trans-60.9109.7172.3-173.8-179-179.7-176.80109.4T610 R612 E656 T660T610-K658 VanDerWaalsContact O-CB 3.24Å; T610-K658 WeakPolarHBondContact O-CB 3.45Å; T610-K658 PolarHBondContact O-N 2.99Å; R612-K658 HydrophobicContact CG-CB 4.44Å; E656-K658 PolarHBondContact O-N 3.19Å; K658-T660 PolarHBondContact O-N 3.25Å
659K67.2Low71.5Confident170 Ų170122.8 Ų122.874%0.73959%0.594SS**  trans-61121.1171.1-67.1-174.4179.9-179.30109.3T657T657-K659 PolarHBondContact O-N 3.35Å
660T69.1Low71.1Confident116 Ų116126.3 Ų126.371%0.71261%0.606SS**  trans-97.3126.9173.750.60000109.3K658K658-T660 PolarHBondContact O-N 3.25Å
661W73.3Confident70.8Confident233 Ų233133.2 Ų133.288%0.88364%0.639SS**  trans-102.1103.2173.4-60.794.1000108.1
662L78.2Confident70.8Confident174 Ų174139 Ų13991%0.91166%0.662SS**  trans-103.2128.4170.1-150.496.5000107.3
663K83.2Confident71.1Confident195 Ų195147.5 Ų147.585%0.84870%0.702SS**  trans-106.9131.4172.1-171.2178.1177.8-178.50108R665K663-R665 PolarHBondContact O-N 3.09Å
664E85.3Confident71.6Confident165 Ų165152.1 Ų152.177%0.77172%0.722SS**  trans-58124.3171.5-174.8178.6-155.600109.3K666E664-K666 PolarHBondContact O-N 3.16Å
665R85.7Confident72.4Confident213 Ų213161.7 Ų161.780%0.80476%0.764SS**  trans-74.5111172.6-170.5-174.1-153.9-166.55.5107K663 E667K663-R665 PolarHBondContact O-N 3.09Å; R665-E667 PolarHBondContact O-N 3.08Å
666K80.3Confident73.3Confident186 Ų186169.9 Ų169.981%0.80977%0.774SS**  trans-75.6119167.2-63-171.5176-170.20107.5E664E664-K666 PolarHBondContact O-N 3.16Å
667E72.6Confident74.5Confident244 Ų244172.6 Ų172.6100%1.1479%0.785SS**  trans-80.30169-71.7-171.7162.300111.5R665R665-E667 PolarHBondContact O-N 3.08Å

Retrieved 667 of 667 residues in 406.1 ms (Link to these results)

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