A0A060W2E5_ONCMY Loading...

Calcium/calmodulin-dependent protein kinase IGb

AlphaFold DB , UniProt , Accession A0A060W2E5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110492050, Length 428 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
1M35.2Very low49.5Very low249 Ų249149.8 Ų149.8100%1.22774%0.744SS**  097.40-76.9-179.3176.700108.1R3M1-R3 PolarHBondContact O-N 3.28Å
2G37Very low52.9Low80 Ų80144.8 Ų144.883%0.82571%0.714SS**  trans-77.5117.917600000109.7K4G2-K4 PolarHBondContact O-N 3.11Å; G2-K4 VanDerWaalsContact O-N 3.11Å
3R39.6Very low55.7Low245 Ų245141.9 Ų141.993%0.92571%0.71SS**  trans-66.2106.5162.5-87.9-179.4179.9162.40.2106.5M1 E5M1-R3 PolarHBondContact O-N 3.28Å; R3-E5 VanDerWaalsContact C-N 3.35Å; R3-E5 PolarHBondContact O-N 3.36Å
4K40Very low58.1Low206 Ų206132.9 Ų132.990%0.89667%0.666SS**  trans-61.6104.4156.8-76.6-176.9173.4-175.80105.8G2 A6G2-K4 PolarHBondContact O-N 3.11Å; G2-K4 VanDerWaalsContact O-N 3.11Å; K4-A6 PolarHBondContact O-N 3.49Å
5E40.8Very low60.1Low181 Ų181133 Ų13385%0.84667%0.67SS**  trans-55.8124.1159.6-72.2-179.9160.500106.3R3 E7R3-E5 VanDerWaalsContact C-N 3.35Å; R3-E5 PolarHBondContact O-N 3.36Å; E5-E7 PolarHBondContact O-N 2.99Å
6A39.8Very low62Low81 Ų81128.4 Ų128.467%0.66965%0.648SS**  trans-63106.7173.500000107.2K4 F8K4-A6 PolarHBondContact O-N 3.49Å; A6-F8 PolarHBondContact O-N 3.48Å
7E43.3Very low63.9Low193 Ų193121.4 Ų121.490%0.90261%0.613SS**  trans-59.491.1162.2-82.7-179.9146.900106.7E5 D9E5-E7 PolarHBondContact O-N 2.99Å; E7-D9 PolarHBondContact O-N 2.8Å
8F46.3Very low65.6Low185 Ų185121.2 Ų121.281%0.81161%0.609SS**  trans-59.5111.1164.1-99.6-94000106A6 W10A6-F8 PolarHBondContact O-N 3.48Å; F8-W10 PolarHBondContact O-N 3.28Å
9D64.3Low67.1Low131 Ų131122.1 Ų122.170%0.70161%0.611SS**  trans-60.992.3174-167.55.6000107.9E7 K11E7-D9 PolarHBondContact O-N 2.8Å; D9-K11 PolarHBondContact O-N 3.07Å
10W75.4Confident68.5Low64 Ų64117.4 Ų117.424%0.24259%0.589CS.*  trans-76.3-10.3-173.458.5-90.5000112.5F8 I66 A67 R70 F83F8-W10 PolarHBondContact O-N 3.28Å; W10-I66 HydrophobicContact CE3-CG2 4.25Å; W10-I66 HydrophobicContact CH2-CB 4.04Å; W10-I66 HydrophobicContact CH2-CG2 3.89Å; W10-I66 HydrophobicContact CZ3-CB 4.04Å; W10-I66 HydrophobicContact CZ3-CG2 3.36Å; W10-A67 HydrophobicContact CZ2-CB 4.49Å; W10-R70 VanDerWaalsContact CG-NH1 3.34Å; W10-F83 HydrophobicContact CE3-CB 4.48Å; W10-F83 HydrophobicContact CE3-CD1 4.13Å; W10-F83 HydrophobicContact CH2-CD1 4.48Å; W10-F83 HydrophobicContact CZ3-CB 4.37Å; W10-F83 AromaticContact CZ3-CD1 3.55Å; W10-F83 HydrophobicContact CZ3-CD1 3.55Å; W10-F83 HydrophobicContact CZ3-CE1 4.02Å; W10-F83 HydrophobicContact CZ3-CG 4.07Å
11K82.6Confident69.9Low33 Ų33112 Ų11214%0.14356%0.562CS.*  trans-100.9105.7-174.5-178.3172.7-173.8-164.40108.4D9 T13 E63 F83 E85D9-K11 PolarHBondContact O-N 3.07Å; K11-T13 PolarHBondContact O-N 3.29Å; K11-E63 IonicContact NZ-OE1 2.88Å; K11-E63 PolarHBondContact NZ-OE1 2.73Å; K11-F83 HydrophobicContact CB-CD1 4.46Å; K11-F83 HydrophobicContact CD-CE1 4.34Å; K11-F83 HydrophobicContact CG-CD1 4.06Å; K11-F83 HydrophobicContact CG-CE1 3.9Å; K11-E85 WeakPolarHBondContact CE-OE1 3.32Å; K11-E85 WeakPolarHBondContact CE-OE2 3.03Å; K11-E85 HydrophobicContact CG-CB 4.44Å; K11-E85 IonicContact NZ-OE1 2.76Å; K11-E85 PolarHBondContact NZ-OE1 3.33Å; K11-E85 IonicContact NZ-OE2 3.11Å; K11-E85 PolarHBondContact NZ-OE2 3.31Å
12K89.9Confident72.8Confident89 Ų89102.9 Ų102.939%0.38752%0.518SS..EExtended strand (participates in β ladder)trans-85.3112.5-179.3-62.8-180-174.8-179.70109.9D82 F83 Y84 E85K12-D82 WeakPolarHBondContact CD-OD1 3.17Å; K12-D82 VanDerWaalsContact CE-OD1 3.23Å; K12-D82 WeakPolarHBondContact CE-OD1 3.28Å; K12-D82 WeakPolarHBondContact CE-OD2 3.21Å; K12-D82 IonicContact NZ-OD1 2.61Å; K12-D82 PolarHBondContact NZ-OD1 2.78Å; K12-D82 IonicContact NZ-OD2 3.73Å; K12-D82 PolarHBondContact NZ-OD2 2.74Å; K12-F83 PolarHBondContact N-O 2.69Å; K12-F83 VanDerWaalsContact N-O 3.1Å; K12-Y84 HydrophobicContact CB-CD1 3.47Å; K12-Y84 VanDerWaalsContact CB-CD1 3.47Å; K12-Y84 HydrophobicContact CB-CE1 3.63Å; K12-Y84 HydrophobicContact CB-CG 4.03Å; K12-Y84 HydrophobicContact CD-CD1 4.28Å; K12-Y84 HydrophobicContact CD-CE1 3.62Å; K12-Y84 HydrophobicContact CD-CE2 4.12Å; K12-Y84 HydrophobicContact CG-CE1 4.27Å; K12-Y84 CarbonylContact O-C 3.58Å; K12-Y84 WeakPolarHBondContact O-CA 3.08Å; K12-E85 PolarHBondContact O-N 3.15Å
13T89.4Confident75.6Confident108 Ų108102.2 Ų102.266%0.66349%0.493SS*.EExtended strand (participates in β ladder)trans-78.7134.8173.1-56.30000109.7K11 E85K11-T13 PolarHBondContact O-N 3.29Å; T13-E85 CarbonylContact C-O 3.56Å; T13-E85 WeakPolarHBondContact CA-O 3.17Å
14T89.6Confident78.2Confident15 Ų1595.5 Ų95.59%0.09247%0.473CS..  trans-140.1137.8175.2-176.50000110.9N16 I17 Y84 E85 S86 Y91T14-N16 VanDerWaalsContact OG1-C 3.27Å; T14-N16 PolarHBondContact OG1-N 3.32Å; T14-N16 PolarHBondContact OG1-O 2.89Å; T14-I17 HydrophobicContact CG2-CB 4.31Å; T14-I17 HydrophobicContact CG2-CD1 4.05Å; T14-Y84 HydrophobicContact CG2-CD1 4.12Å; T14-E85 PolarHBondContact N-O 2.99Å; T14-S86 WeakPolarHBondContact O-CA 3.4Å; T14-S86 VanDerWaalsContact O-CB 3.23Å; T14-S86 WeakPolarHBondContact O-CB 3.49Å; T14-Y91 HydrophobicContact CG2-CE2 4.45Å
15D87.9Confident80.6Confident135 Ų13590.9 Ų90.972%0.72246%0.455SS*.SBendtrans-81.6-27.7170.1-71-45.5000111.5
16N90.9Very high82.9Confident60 Ų6086.4 Ų86.432%0.32144%0.439SS..  trans-145102.1-179.8-173.53.5000112.2T14 Q18 E19T14-N16 VanDerWaalsContact OG1-C 3.27Å; T14-N16 PolarHBondContact OG1-N 3.32Å; T14-N16 PolarHBondContact OG1-O 2.89Å; N16-Q18 PolarHBondContact O-N 2.84Å; N16-Q18 VanDerWaalsContact O-N 3.15Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.22Å; N16-Q18 PolarHBondContact OD1-N 2.91Å; N16-Q18 VanDerWaalsContact OD1-N 3.08Å; N16-E19 HydrophobicContact CB-CG 4.11Å; N16-E19 WeakPolarHBondContact O-CB 3.48Å; N16-E19 PolarHBondContact O-N 2.59Å
17I94.3Very high85Confident9 Ų986.3 Ų86.35%0.04643%0.427CS..G310 helixtrans-61.9-23.8179.5-166.264.3000113.1T14 E19 V20 F21 F23 M49 Y84 Y91T14-I17 HydrophobicContact CG2-CB 4.31Å; T14-I17 HydrophobicContact CG2-CD1 4.05Å; I17-E19 PolarHBondContact O-N 2.61Å; I17-V20 PolarHBondContact O-N 3.32Å; I17-V20 VanDerWaalsContact O-N 3.09Å; I17-F21 HydrophobicContact CD1-CD2 3.89Å; I17-F21 HydrophobicContact CD1-CE2 4.16Å; I17-F21 HydrophobicContact CG1-CD2 4.2Å; I17-F21 PolarHBondContact O-N 3.4Å; I17-F23 HydrophobicContact CG2-CE2 3.88Å; I17-F23 HydrophobicContact CG2-CZ 3.84Å; I17-M49 HydrophobicContact CD1-CE 3.91Å; I17-M49 HydrophobicContact CG1-CE 3.74Å; I17-M49 HydrophobicContact CG1-SD 3.89Å; I17-Y84 HydrophobicContact CD1-CD1 4.05Å; I17-Y84 HydrophobicContact CD1-CD2 4.15Å; I17-Y84 HydrophobicContact CD1-CG 3.76Å; I17-Y91 HydrophobicContact CB-CD1 4.32Å; I17-Y91 HydrophobicContact CB-CD2 4.45Å; I17-Y91 HydrophobicContact CB-CE1 4.06Å; I17-Y91 HydrophobicContact CB-CE2 4.19Å; I17-Y91 HydrophobicContact CD1-CD2 4.23Å; I17-Y91 HydrophobicContact CD1-CG 4.16Å; I17-Y91 HydrophobicContact CG1-CD1 3.99Å; I17-Y91 HydrophobicContact CG1-CD2 4.3Å; I17-Y91 HydrophobicContact CG1-CE1 4.24Å; I17-Y91 HydrophobicContact CG1-CG 4.03Å; I17-Y91 HydrophobicContact CG2-CD1 4.21Å; I17-Y91 HydrophobicContact CG2-CE1 3.64Å
18Q93.9Very high86.5Confident117 Ų11778.5 Ų78.555%0.54740%0.399SS..G310 helixtrans-71.5-15.6-179.4-60.3179.5-14.400113.2N16 V20 F21 F23 R41N16-Q18 PolarHBondContact O-N 2.84Å; N16-Q18 VanDerWaalsContact O-N 3.15Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.22Å; N16-Q18 PolarHBondContact OD1-N 2.91Å; N16-Q18 VanDerWaalsContact OD1-N 3.08Å; Q18-V20 VanDerWaalsContact C-N 3.25Å; Q18-F21 CarbonylContact C-O 3.55Å; Q18-F21 WeakPolarHBondContact CA-O 3.47Å; Q18-F23 HydrophobicContact CG-CD2 4.13Å; Q18-F23 HydrophobicContact CG-CE2 3.99Å; Q18-R41 PolarHBondContact O-NE 2.97Å; Q18-R41 PolarHBondContact O-NH2 3.23Å
19E94.1Very high87.7Confident138 Ų13874.1 Ų74.165%0.64539%0.391SS*.G310 helixtrans-75.6-17.2171.9-67.7175.1-168.700112.4N16 I17 R41N16-E19 HydrophobicContact CB-CG 4.11Å; N16-E19 WeakPolarHBondContact O-CB 3.48Å; N16-E19 PolarHBondContact O-N 2.59Å; I17-E19 PolarHBondContact O-N 2.61Å; E19-R41 VanDerWaalsContact O-CD 3.31Å; E19-R41 WeakPolarHBondContact O-CD 3.33Å
20V95.5Very high87.6Confident29 Ų2969.8 Ų69.818%0.17638%0.377CS..THydrogen-bonded Turntrans-103.2-37.1179-172.30000111I17 Q18 R41 Y84I17-V20 PolarHBondContact O-N 3.32Å; I17-V20 VanDerWaalsContact O-N 3.09Å; Q18-V20 VanDerWaalsContact C-N 3.25Å; V20-R41 WeakPolarHBondContact O-CB 3.46Å; V20-R41 WeakPolarHBondContact O-CG 3.48Å; V20-R41 PolarHBondContact O-N 3.08Å; V20-Y84 HydrophobicContact CG1-CE1 4.35Å; V20-Y84 HydrophobicContact CG2-CE1 4.34Å
21F97.4Very high86.8Confident3 Ų371.1 Ų71.11%0.01340%0.402CS..EExtended strand (participates in β ladder)trans-127.8138.6-173.9-66-86.4000112.8I17 Q18 V38 K39 E40 F47 M49 Y84 V93I17-F21 HydrophobicContact CD1-CD2 3.89Å; I17-F21 HydrophobicContact CD1-CE2 4.16Å; I17-F21 HydrophobicContact CG1-CD2 4.2Å; I17-F21 PolarHBondContact O-N 3.4Å; Q18-F21 CarbonylContact C-O 3.55Å; Q18-F21 WeakPolarHBondContact CA-O 3.47Å; F21-V38 HydrophobicContact CB-CB 4.12Å; F21-V38 HydrophobicContact CB-CG2 4.45Å; F21-V38 HydrophobicContact CD1-CB 4.13Å; F21-V38 HydrophobicContact CD1-CG2 3.65Å; F21-V38 HydrophobicContact CE1-CG2 4.2Å; F21-V38 HydrophobicContact CG-CB 4.43Å; F21-V38 HydrophobicContact CG-CG2 4.23Å; F21-K39 CarbonylContact C-O 3.58Å; F21-K39 WeakPolarHBondContact CA-O 3.45Å; F21-E40 HydrophobicContact CD1-CB 3.94Å; F21-E40 HydrophobicContact CD1-CG 4.48Å; F21-E40 HydrophobicContact CE1-CB 3.65Å; F21-E40 HydrophobicContact CE1-CG 4.01Å; F21-E40 HydrophobicContact CZ-CG 4.44Å; F21-F47 HydrophobicContact CE1-CD2 4.02Å; F21-F47 HydrophobicContact CE1-CE2 4.4Å; F21-M49 HydrophobicContact CB-CE 4.2Å; F21-M49 HydrophobicContact CD1-CE 4.21Å; F21-M49 HydrophobicContact CD2-CE 3.34Å; F21-M49 HydrophobicContact CE1-CE 4.46Å; F21-M49 HydrophobicContact CE2-CE 3.64Å; F21-M49 HydrophobicContact CG-CE 3.66Å; F21-M49 HydrophobicContact CZ-CE 4.21Å; F21-Y84 HydrophobicContact CE2-CD2 4.28Å; F21-Y84 AromaticContact CE2-CE2 3.71Å; F21-Y84 HydrophobicContact CE2-CE2 3.71Å; F21-Y84 AromaticContact CE2-CZ 3.99Å; F21-Y84 HydrophobicContact CZ-CE2 4.12Å; F21-V93 HydrophobicContact CE1-CG1 4.27Å; F21-V93 HydrophobicContact CE2-CG2 4.1Å; F21-V93 HydrophobicContact CZ-CG1 4.13Å; F21-V93 HydrophobicContact CZ-CG2 3.82Å
22D97Very high86Confident59 Ų5975.7 Ų75.732%0.31642%0.422SS..EExtended strand (participates in β ladder)trans-85.5121.9163.9-71.2-55.5000109.3V38 K39 R41D22-V38 CarbonylContact O-C 3.54Å; D22-V38 VanDerWaalsContact O-CA 3.27Å; D22-V38 WeakPolarHBondContact O-CA 3.31Å; D22-K39 HydrophobicContact CB-CB 4.31Å; D22-K39 PolarHBondContact N-O 3.17Å; D22-K39 PolarHBondContact O-N 3.3Å; D22-R41 VanDerWaalsContact CG-NH1 3.35Å; D22-R41 IonicContact OD1-CZ 2.82Å; D22-R41 IonicContact OD1-NE 3.71Å; D22-R41 IonicContact OD1-NH1 2.73Å; D22-R41 PolarHBondContact OD1-NH1 2.8Å; D22-R41 IonicContact OD1-NH2 3.84Å; D22-R41 PolarHBondContact OD1-NH2 2.76Å; D22-R41 IonicContact OD2-CZ 2.61Å; D22-R41 IonicContact OD2-NH1 3.28Å; D22-R41 PolarHBondContact OD2-NH1 3.16Å
23F95.9Very high85.3Confident66 Ų6672.8 Ų72.829%0.28941%0.413SS..EExtended strand (participates in β ladder)trans-80.3131.8175.4-75.6-108.3000109.6I17 Q18 F36 V38 M49I17-F23 HydrophobicContact CG2-CE2 3.88Å; I17-F23 HydrophobicContact CG2-CZ 3.84Å; Q18-F23 HydrophobicContact CG-CD2 4.13Å; Q18-F23 HydrophobicContact CG-CE2 3.99Å; F23-F36 HydrophobicContact CD1-CB 3.79Å; F23-F36 AromaticContact CD1-CD1 3.82Å; F23-F36 HydrophobicContact CD1-CD1 3.82Å; F23-F36 AromaticContact CD1-CD2 3.98Å; F23-F36 HydrophobicContact CD1-CD2 3.98Å; F23-F36 HydrophobicContact CD1-CE1 4.36Å; F23-F36 AromaticContact CD1-CG 3.6Å; F23-F36 HydrophobicContact CD1-CG 3.6Å; F23-F36 HydrophobicContact CE1-CB 4.11Å; F23-F36 HydrophobicContact CE1-CD1 4.45Å; F23-F36 AromaticContact CE1-CD2 3.78Å; F23-F36 HydrophobicContact CE1-CD2 3.78Å; F23-F36 HydrophobicContact CE1-CE2 4.29Å; F23-F36 AromaticContact CE1-CG 3.87Å; F23-F36 HydrophobicContact CE1-CG 3.87Å; F23-V38 HydrophobicContact CD1-CG1 4.02Å; F23-V38 HydrophobicContact CE1-CG1 4.14Å; F23-V38 HydrophobicContact CG-CG1 4.22Å; F23-V38 HydrophobicContact CZ-CG1 4.44Å; F23-M49 HydrophobicContact CE1-SD 4.18Å; F23-M49 HydrophobicContact CZ-SD 3.71Å
24M93.8Very high85Confident104 Ų10471.9 Ų71.951%0.51240%0.402SS..EExtended strand (participates in β ladder)trans-109-100.5-178.8-57.3-17968.600109.7M37 K39 L46M24-M37 HydrophobicContact CB-CB 4.37Å; M24-M37 HydrophobicContact CB-CE 3.93Å; M24-M37 WeakPolarHBondContact CB-O 3.43Å; M24-M37 HydrophobicContact CE-CE 3.73Å; M24-M37 PolarHBondContact N-O 3.33Å; M24-M37 HydrophobicContact SD-CE 3.87Å; M24-M37 HydrophobicContact SD-CG 4.37Å; M24-K39 HydrophobicContact SD-CB 4.14Å; M24-L46 HydrophobicContact SD-CD2 3.58Å; M24-L46 VanDerWaalsContact SD-CD2 3.58Å
25E90.6Very high84.9Confident109 Ų10972.9 Ų72.951%0.50941%0.407SS..EExtended strand (participates in β ladder)trans-107159.9-178.874.6-168.7150.200112.6L27 F36 M37E25-L27 HydrophobicContact CG-CD2 4.02Å; E25-F36 CarbonylContact O-C 3.57Å; E25-F36 WeakPolarHBondContact O-CA 3.38Å; E25-M37 HydrophobicContact CG-CB 4.01Å; E25-M37 HydrophobicContact CG-CE 4.05Å; E25-M37 PolarHBondContact O-N 3.09Å; E25-M37 VanDerWaalsContact OE1-CE 3.3Å; E25-M37 WeakPolarHBondContact OE1-CE 3.23Å
26V89.6Confident85.1Confident86 Ų8668.1 Ų68.152%0.52138%0.38SS..EExtended strand (participates in β ladder)trans-83.3118.9172.1-178.60000108.3F36V26-F36 HydrophobicContact CG2-CD1 3.88Å; V26-F36 HydrophobicContact CG2-CE1 3.56Å; V26-F36 HydrophobicContact CG2-CZ 4.45Å
27L82.2Confident85.2Confident80 Ų8066.6 Ų66.642%0.41937%0.371SS..EExtended strand (participates in β ladder)trans-87.4-27176.1-61.2176.9000112.1E25 V35 M37 A48 L96E25-L27 HydrophobicContact CG-CD2 4.02Å; L27-V35 HydrophobicContact CB-CB 4.4Å; L27-V35 HydrophobicContact CB-CG1 4.14Å; L27-V35 HydrophobicContact CD1-CG1 4.36Å; L27-V35 PolarHBondContact N-O 2.94Å; L27-M37 HydrophobicContact CD1-CB 4.04Å; L27-M37 HydrophobicContact CD2-CB 4.18Å; L27-M37 HydrophobicContact CG-CB 4.09Å; L27-A48 HydrophobicContact CD1-CB 3.99Å; L27-L96 HydrophobicContact CD1-CD1 3.78Å
28G75.4Confident85.3Confident29 Ų2966.1 Ų66.130%0.29937%0.369SS..EExtended strand (participates in β ladder)trans-169.8152.5178.100000112.7V35G28-V35 PolarHBondContact N-O 3.06Å; G28-V35 PolarHBondContact O-N 2.84Å
29S71.7Confident85.5Confident92 Ų9264.9 Ų64.964%0.64336%0.362SS*.EExtended strand (participates in β ladder)trans-133.4133.2177.6-172.10000110.2
30G63.5Low85.6Confident40 Ų4059.9 Ų59.941%0.41234%0.338SS..  trans-131.2173.2177.500000111.4F32 S33G30-F32 PolarHBondContact O-N 3.03Å; G30-S33 WeakPolarHBondContact CA-O 3.5Å; G30-S33 PolarHBondContact N-O 2.87Å
31A58Low85.6Confident93 Ų9364.5 Ų64.577%0.76935%0.353SS*.SBendtrans-58.2-28.2-172.200000114.9
32F64.9Low85.5Confident128 Ų12873.2 Ų73.256%0.56139%0.391SS*.SBendtrans-136.68.6-178-53.8-71.3000113.6G30 K53 K55G30-F32 PolarHBondContact O-N 3.03Å; F32-K53 PolarHBondContact O-N 2.71Å; F32-K55 VanDerWaalsContact CE1-NZ 3.26Å
33S75.1Confident85.5Confident29 Ų2974.7 Ų74.720%0.20340%0.402CS..EExtended strand (participates in β ladder)trans-149.8145.6-178.561.80000112G30 K50 C51G30-S33 WeakPolarHBondContact CA-O 3.5Å; G30-S33 PolarHBondContact N-O 2.87Å; S33-K50 WeakPolarHBondContact OG-CE 3.46Å; S33-C51 CarbonylContact C-O 3.56Å; S33-C51 WeakPolarHBondContact CA-O 3.15Å; S33-C51 WeakPolarHBondContact CB-O 3.47Å
34E84.1Confident85.4Confident89 Ų8973 Ų7342%0.41640%0.404SS..EExtended strand (participates in β ladder)trans-125.7144.1174.2-65.6-176.8121.400109F36 K50 C51E34-F36 HydrophobicContact CB-CD2 4.28Å; E34-F36 HydrophobicContact CB-CE2 3.48Å; E34-F36 VanDerWaalsContact CB-CE2 3.48Å; E34-F36 HydrophobicContact CB-CZ 3.94Å; E34-K50 CarbonylContact O-C 3.51Å; E34-K50 WeakPolarHBondContact O-CA 3.45Å; E34-C51 PolarHBondContact N-O 2.89Å; E34-C51 PolarHBondContact O-N 2.86Å
35V87.2Confident85.5Confident35 Ų3573 Ų7321%0.21240%0.401CS..EExtended strand (participates in β ladder)trans-115.1124.6178.8-171.90000108.3L27 G28 A48 M49 K50L27-V35 HydrophobicContact CB-CB 4.4Å; L27-V35 HydrophobicContact CB-CG1 4.14Å; L27-V35 HydrophobicContact CD1-CG1 4.36Å; L27-V35 PolarHBondContact N-O 2.94Å; G28-V35 PolarHBondContact N-O 3.06Å; G28-V35 PolarHBondContact O-N 2.84Å; V35-A48 HydrophobicContact CG1-CB 4.3Å; V35-M49 CarbonylContact C-O 3.59Å; V35-M49 VanDerWaalsContact CA-O 3.3Å; V35-M49 WeakPolarHBondContact CA-O 3.38Å; V35-K50 HydrophobicContact CG2-CB 4.16Å; V35-K50 HydrophobicContact CG2-CD 4.49Å; V35-K50 HydrophobicContact CG2-CG 4.02Å
36F91.9Very high85.7Confident35 Ų3571.2 Ų71.215%0.15439%0.394CS..EExtended strand (participates in β ladder)trans-117.5143.8-179.6-63.1-92.2000110.7F23 E25 V26 E34 V38 A48 M49 C51F23-F36 HydrophobicContact CD1-CB 3.79Å; F23-F36 AromaticContact CD1-CD1 3.82Å; F23-F36 HydrophobicContact CD1-CD1 3.82Å; F23-F36 AromaticContact CD1-CD2 3.98Å; F23-F36 HydrophobicContact CD1-CD2 3.98Å; F23-F36 HydrophobicContact CD1-CE1 4.36Å; F23-F36 AromaticContact CD1-CG 3.6Å; F23-F36 HydrophobicContact CD1-CG 3.6Å; F23-F36 HydrophobicContact CE1-CB 4.11Å; F23-F36 HydrophobicContact CE1-CD1 4.45Å; F23-F36 AromaticContact CE1-CD2 3.78Å; F23-F36 HydrophobicContact CE1-CD2 3.78Å; F23-F36 HydrophobicContact CE1-CE2 4.29Å; F23-F36 AromaticContact CE1-CG 3.87Å; F23-F36 HydrophobicContact CE1-CG 3.87Å; E25-F36 CarbonylContact O-C 3.57Å; E25-F36 WeakPolarHBondContact O-CA 3.38Å; V26-F36 HydrophobicContact CG2-CD1 3.88Å; V26-F36 HydrophobicContact CG2-CE1 3.56Å; V26-F36 HydrophobicContact CG2-CZ 4.45Å; E34-F36 HydrophobicContact CB-CD2 4.28Å; E34-F36 HydrophobicContact CB-CE2 3.48Å; E34-F36 VanDerWaalsContact CB-CE2 3.48Å; E34-F36 HydrophobicContact CB-CZ 3.94Å; F36-V38 HydrophobicContact CB-CG1 3.94Å; F36-A48 CarbonylContact O-C 3.44Å; F36-A48 WeakPolarHBondContact O-CA 3.49Å; F36-M49 PolarHBondContact N-O 3.23Å; F36-M49 PolarHBondContact O-N 3.3Å; F36-C51 HydrophobicContact CE2-CB 4.47Å
37M93.6Very high86Confident28 Ų2867.7 Ų67.714%0.13837%0.372CS..EExtended strand (participates in β ladder)trans-72.6127.7157.6-174.7169.164.100107.6M24 E25 L27 L46 F47 L96M24-M37 HydrophobicContact CB-CB 4.37Å; M24-M37 HydrophobicContact CB-CE 3.93Å; M24-M37 WeakPolarHBondContact CB-O 3.43Å; M24-M37 HydrophobicContact CE-CE 3.73Å; M24-M37 PolarHBondContact N-O 3.33Å; M24-M37 HydrophobicContact SD-CE 3.87Å; M24-M37 HydrophobicContact SD-CG 4.37Å; E25-M37 HydrophobicContact CG-CB 4.01Å; E25-M37 HydrophobicContact CG-CE 4.05Å; E25-M37 PolarHBondContact O-N 3.09Å; E25-M37 VanDerWaalsContact OE1-CE 3.3Å; E25-M37 WeakPolarHBondContact OE1-CE 3.23Å; L27-M37 HydrophobicContact CD1-CB 4.04Å; L27-M37 HydrophobicContact CD2-CB 4.18Å; L27-M37 HydrophobicContact CG-CB 4.09Å; M37-L46 HydrophobicContact SD-CD1 4.48Å; M37-F47 WeakPolarHBondContact CA-O 3.37Å; M37-L96 HydrophobicContact CG-CD1 4.49Å; M37-L96 HydrophobicContact CG-CD2 4.22Å; M37-L96 HydrophobicContact SD-CD2 3.92Å
38V96.1Very high86.4Confident0 Ų064.4 Ų64.40%036%0.357CS..EExtended strand (participates in β ladder)trans-130.2149.2-179.7-59.20000111F21 D22 F23 F36 L46 F47 M49F21-V38 HydrophobicContact CB-CB 4.12Å; F21-V38 HydrophobicContact CB-CG2 4.45Å; F21-V38 HydrophobicContact CD1-CB 4.13Å; F21-V38 HydrophobicContact CD1-CG2 3.65Å; F21-V38 HydrophobicContact CE1-CG2 4.2Å; F21-V38 HydrophobicContact CG-CB 4.43Å; F21-V38 HydrophobicContact CG-CG2 4.23Å; D22-V38 CarbonylContact O-C 3.54Å; D22-V38 VanDerWaalsContact O-CA 3.27Å; D22-V38 WeakPolarHBondContact O-CA 3.31Å; F23-V38 HydrophobicContact CD1-CG1 4.02Å; F23-V38 HydrophobicContact CE1-CG1 4.14Å; F23-V38 HydrophobicContact CG-CG1 4.22Å; F23-V38 HydrophobicContact CZ-CG1 4.44Å; F36-V38 HydrophobicContact CB-CG1 3.94Å; V38-L46 CarbonylContact O-C 3.59Å; V38-L46 WeakPolarHBondContact O-CA 3.18Å; V38-F47 HydrophobicContact CG2-CB 3.89Å; V38-F47 PolarHBondContact N-O 3.34Å; V38-F47 PolarHBondContact O-N 2.88Å; V38-M49 HydrophobicContact CB-CB 4.4Å; V38-M49 HydrophobicContact CG1-CB 3.71Å; V38-M49 HydrophobicContact CG1-SD 4.25Å; V38-M49 HydrophobicContact CG2-CB 3.75Å; V38-M49 HydrophobicContact CG2-CE 4.19Å
39K97.3Very high87.3Confident91 Ų9163 Ų6340%0.39634%0.342SS..EExtended strand (participates in β ladder)trans-110.4122.4173.1-172178.1-178.2177.80109.4F21 D22 M24 R41 G44 K45 L46F21-K39 CarbonylContact C-O 3.58Å; F21-K39 WeakPolarHBondContact CA-O 3.45Å; D22-K39 HydrophobicContact CB-CB 4.31Å; D22-K39 PolarHBondContact N-O 3.17Å; D22-K39 PolarHBondContact O-N 3.3Å; M24-K39 HydrophobicContact SD-CB 4.14Å; K39-R41 PolarHBondContact O-N 3.27Å; K39-G44 VanDerWaalsContact CE-O 3.28Å; K39-G44 WeakPolarHBondContact CE-O 3.36Å; K39-G44 WeakPolarHBondContact CG-O 3.44Å; K39-K45 WeakPolarHBondContact CA-O 3.34Å; K39-L46 HydrophobicContact CB-CD2 3.79Å; K39-L46 HydrophobicContact CD-CD2 4.48Å; K39-L46 HydrophobicContact CG-CD2 4.04Å
40E97.1Very high88.1Confident32 Ų3259.3 Ų59.315%0.1531%0.314CS..EExtended strand (participates in β ladder)trans-67.9122.8174.1-175-177.4-163.400109.5F21 K42 T43 G44 K45 F47F21-E40 HydrophobicContact CD1-CB 3.94Å; F21-E40 HydrophobicContact CD1-CG 4.48Å; F21-E40 HydrophobicContact CE1-CB 3.65Å; F21-E40 HydrophobicContact CE1-CG 4.01Å; F21-E40 HydrophobicContact CZ-CG 4.44Å; E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 HydrophobicContact CG-CB 4.5Å; E40-K42 PolarHBondContact O-N 3.15Å; E40-T43 PolarHBondContact O-N 3.1Å; E40-T43 WeakPolarHBondContact OE2-CB 3.27Å; E40-T43 WeakPolarHBondContact OE2-CG2 3.4Å; E40-T43 PolarHBondContact OE2-OG1 3.4Å; E40-G44 VanDerWaalsContact O-CA 3.22Å; E40-G44 WeakPolarHBondContact O-CA 3.33Å; E40-G44 PolarHBondContact O-N 2.87Å; E40-K45 PolarHBondContact N-O 3.24Å; E40-F47 HydrophobicContact CB-CD2 4.34Å; E40-F47 HydrophobicContact CB-CE2 3.9Å
41R96.3Very high89.3Confident127 Ų12758 Ų5848%0.47930%0.299SS..THydrogen-bonded Turntrans-61.2-37.1-175.6-70.4-177.4-177-72.9-4.4113Q18 E19 V20 D22 K39Q18-R41 PolarHBondContact O-NE 2.97Å; Q18-R41 PolarHBondContact O-NH2 3.23Å; E19-R41 VanDerWaalsContact O-CD 3.31Å; E19-R41 WeakPolarHBondContact O-CD 3.33Å; V20-R41 WeakPolarHBondContact O-CB 3.46Å; V20-R41 WeakPolarHBondContact O-CG 3.48Å; V20-R41 PolarHBondContact O-N 3.08Å; D22-R41 VanDerWaalsContact CG-NH1 3.35Å; D22-R41 IonicContact OD1-CZ 2.82Å; D22-R41 IonicContact OD1-NE 3.71Å; D22-R41 IonicContact OD1-NH1 2.73Å; D22-R41 PolarHBondContact OD1-NH1 2.8Å; D22-R41 IonicContact OD1-NH2 3.84Å; D22-R41 PolarHBondContact OD1-NH2 2.76Å; D22-R41 IonicContact OD2-CZ 2.61Å; D22-R41 IonicContact OD2-NH1 3.28Å; D22-R41 PolarHBondContact OD2-NH1 3.16Å; K39-R41 PolarHBondContact O-N 3.27Å
42K95.3Very high90.6Very high185 Ų18555.3 Ų55.380%0.80427%0.273SS*.THydrogen-bonded Turntrans-71.3-41.1-175.2-69.1-175.4179.5-179.20113E40E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 HydrophobicContact CG-CB 4.5Å; E40-K42 PolarHBondContact O-N 3.15Å
43T95.9Very high91.4Very high90 Ų9055.7 Ų55.755%0.55228%0.275SS*.THydrogen-bonded Turntrans-107.7-19.8-171.566.20000112.8E40 K45E40-T43 PolarHBondContact O-N 3.1Å; E40-T43 WeakPolarHBondContact OE2-CB 3.27Å; E40-T43 WeakPolarHBondContact OE2-CG2 3.4Å; E40-T43 PolarHBondContact OE2-OG1 3.4Å; T43-K45 PolarHBondContact O-N 2.89Å; T43-K45 WeakPolarHBondContact OG1-CB 3.23Å; T43-K45 PolarHBondContact OG1-N 3.38Å; T43-K45 VanDerWaalsContact OG1-N 3.15Å
44G94.4Very high91.8Very high32 Ų3256.8 Ų56.833%0.3328%0.276SS..  trans72.63.7-170.400000114.5K39 E40K39-G44 VanDerWaalsContact CE-O 3.28Å; K39-G44 WeakPolarHBondContact CE-O 3.36Å; K39-G44 WeakPolarHBondContact CG-O 3.44Å; E40-G44 VanDerWaalsContact O-CA 3.22Å; E40-G44 WeakPolarHBondContact O-CA 3.33Å; E40-G44 PolarHBondContact O-N 2.87Å
45K95.6Very high91.1Very high103 Ų10357.9 Ų57.945%0.44828%0.279SS..  trans-72.1143.3-179.4-174.8173.9165.2-165.30111K39 E40 T43 F47 E81K39-K45 WeakPolarHBondContact CA-O 3.34Å; E40-K45 PolarHBondContact N-O 3.24Å; T43-K45 PolarHBondContact O-N 2.89Å; T43-K45 WeakPolarHBondContact OG1-CB 3.23Å; T43-K45 PolarHBondContact OG1-N 3.38Å; T43-K45 VanDerWaalsContact OG1-N 3.15Å; K45-F47 HydrophobicContact CB-CE2 3.77Å; K45-F47 HydrophobicContact CB-CZ 4.06Å; K45-F47 HydrophobicContact CD-CE1 3.96Å; K45-F47 HydrophobicContact CD-CE2 4.08Å; K45-F47 HydrophobicContact CD-CZ 3.46Å; K45-F47 VanDerWaalsContact CD-CZ 3.46Å; K45-F47 HydrophobicContact CG-CD2 4.48Å; K45-F47 HydrophobicContact CG-CE1 4.28Å; K45-F47 HydrophobicContact CG-CE2 3.77Å; K45-F47 HydrophobicContact CG-CZ 3.68Å; K45-F47 WeakPolarHBondContact O-CD2 3.36Å; K45-E81 IonicContact NZ-OE1 2.91Å; K45-E81 PolarHBondContact NZ-OE1 3.38Å
46L95.1Very high89.7Confident71 Ų7165.7 Ų65.737%0.37231%0.313SS..EExtended strand (participates in β ladder)trans-92.3142.9178.2-63.9174.5000111.7M24 M37 V38 K39 L96M24-L46 HydrophobicContact SD-CD2 3.58Å; M24-L46 VanDerWaalsContact SD-CD2 3.58Å; M37-L46 HydrophobicContact SD-CD1 4.48Å; V38-L46 CarbonylContact O-C 3.59Å; V38-L46 WeakPolarHBondContact O-CA 3.18Å; K39-L46 HydrophobicContact CB-CD2 3.79Å; K39-L46 HydrophobicContact CD-CD2 4.48Å; K39-L46 HydrophobicContact CG-CD2 4.04Å; L46-L96 HydrophobicContact CB-CD2 3.81Å; L46-L96 HydrophobicContact CD1-CD2 4.48Å
47F94.5Very high87.8Confident12 Ų1274 Ų745%0.05335%0.349CS..EExtended strand (participates in β ladder)trans-142.1162.5-179.8-61.1-83.9000111.3F21 M37 V38 E40 K45 E81 V93F21-F47 HydrophobicContact CE1-CD2 4.02Å; F21-F47 HydrophobicContact CE1-CE2 4.4Å; M37-F47 WeakPolarHBondContact CA-O 3.37Å; V38-F47 HydrophobicContact CG2-CB 3.89Å; V38-F47 PolarHBondContact N-O 3.34Å; V38-F47 PolarHBondContact O-N 2.88Å; E40-F47 HydrophobicContact CB-CD2 4.34Å; E40-F47 HydrophobicContact CB-CE2 3.9Å; K45-F47 HydrophobicContact CB-CE2 3.77Å; K45-F47 HydrophobicContact CB-CZ 4.06Å; K45-F47 HydrophobicContact CD-CE1 3.96Å; K45-F47 HydrophobicContact CD-CE2 4.08Å; K45-F47 HydrophobicContact CD-CZ 3.46Å; K45-F47 VanDerWaalsContact CD-CZ 3.46Å; K45-F47 HydrophobicContact CG-CD2 4.48Å; K45-F47 HydrophobicContact CG-CE1 4.28Å; K45-F47 HydrophobicContact CG-CE2 3.77Å; K45-F47 HydrophobicContact CG-CZ 3.68Å; K45-F47 WeakPolarHBondContact O-CD2 3.36Å; F47-E81 HydrophobicContact CD1-CB 4.36Å; F47-E81 HydrophobicContact CD1-CG 4.12Å; F47-E81 HydrophobicContact CE1-CB 4Å; F47-E81 HydrophobicContact CE1-CG 3.8Å; F47-V93 HydrophobicContact CB-CG1 3.74Å; F47-V93 HydrophobicContact CD1-CG1 3.71Å; F47-V93 HydrophobicContact CD2-CG1 4.13Å; F47-V93 HydrophobicContact CE1-CG1 4.28Å; F47-V93 HydrophobicContact CG-CG1 3.59Å
48A92.6Very high85.9Confident12 Ų1275.6 Ų75.610%0.09936%0.363CS..EExtended strand (participates in β ladder)trans-96.9119.7162.600000108.5L27 V35 F36 M94 L96L27-A48 HydrophobicContact CD1-CB 3.99Å; V35-A48 HydrophobicContact CG1-CB 4.3Å; F36-A48 CarbonylContact O-C 3.44Å; F36-A48 WeakPolarHBondContact O-CA 3.49Å; A48-M94 PolarHBondContact N-O 2.79Å; A48-M94 WeakPolarHBondContact O-CA 3.35Å; A48-M94 WeakPolarHBondContact O-CB 3.3Å; A48-M94 PolarHBondContact O-N 2.9Å; A48-L96 HydrophobicContact CB-CD1 4.1Å
49M93Very high83.9Confident0 Ų079.5 Ų79.50%038%0.383CS..EExtended strand (participates in β ladder)trans-106115.5178.3-178.7-179.8-76.800110.4I17 F21 F23 V35 F36 V38 Y91 L92 V93I17-M49 HydrophobicContact CD1-CE 3.91Å; I17-M49 HydrophobicContact CG1-CE 3.74Å; I17-M49 HydrophobicContact CG1-SD 3.89Å; F21-M49 HydrophobicContact CB-CE 4.2Å; F21-M49 HydrophobicContact CD1-CE 4.21Å; F21-M49 HydrophobicContact CD2-CE 3.34Å; F21-M49 HydrophobicContact CE1-CE 4.46Å; F21-M49 HydrophobicContact CE2-CE 3.64Å; F21-M49 HydrophobicContact CG-CE 3.66Å; F21-M49 HydrophobicContact CZ-CE 4.21Å; F23-M49 HydrophobicContact CE1-SD 4.18Å; F23-M49 HydrophobicContact CZ-SD 3.71Å; V35-M49 CarbonylContact C-O 3.59Å; V35-M49 VanDerWaalsContact CA-O 3.3Å; V35-M49 WeakPolarHBondContact CA-O 3.38Å; F36-M49 PolarHBondContact N-O 3.23Å; F36-M49 PolarHBondContact O-N 3.3Å; V38-M49 HydrophobicContact CB-CB 4.4Å; V38-M49 HydrophobicContact CG1-CB 3.71Å; V38-M49 HydrophobicContact CG1-SD 4.25Å; V38-M49 HydrophobicContact CG2-CB 3.75Å; V38-M49 HydrophobicContact CG2-CE 4.19Å; M49-Y91 HydrophobicContact SD-CD1 3.9Å; M49-Y91 HydrophobicContact SD-CG 4.37Å; M49-L92 WeakPolarHBondContact CA-O 3.41Å; M49-V93 HydrophobicContact CE-CG2 3.91Å
50K88.9Confident81.9Confident13 Ų1382.8 Ų82.86%0.05740%0.4CS..EExtended strand (participates in β ladder)trans-89.7113.1170.8-173.4174.7-171.6178.70109.9S33 E34 V35 V52 Y91 L92 M94 D161S33-K50 WeakPolarHBondContact OG-CE 3.46Å; E34-K50 CarbonylContact O-C 3.51Å; E34-K50 WeakPolarHBondContact O-CA 3.45Å; V35-K50 HydrophobicContact CG2-CB 4.16Å; V35-K50 HydrophobicContact CG2-CD 4.49Å; V35-K50 HydrophobicContact CG2-CG 4.02Å; K50-V52 HydrophobicContact CD-CG2 4.39Å; K50-V52 HydrophobicContact CG-CG2 4.03Å; K50-Y91 WeakPolarHBondContact O-CA 3.45Å; K50-L92 HydrophobicContact CB-CB 4.3Å; K50-L92 PolarHBondContact N-O 3.18Å; K50-L92 PolarHBondContact O-N 3.18Å; K50-M94 HydrophobicContact CB-SD 4.28Å; K50-D161 IonicContact NZ-OD1 3.47Å; K50-D161 PolarHBondContact NZ-OD1 2.75Å; K50-D161 IonicContact NZ-OD2 3.74Å
51C89.7Confident80.2Confident14 Ų1486.5 Ų86.510%0.09542%0.421CS..EExtended strand (participates in β ladder)trans-91.9118.1175.9-59.90000109.2S33 E34 F36 Y90 Y91S33-C51 CarbonylContact C-O 3.56Å; S33-C51 WeakPolarHBondContact CA-O 3.15Å; S33-C51 WeakPolarHBondContact CB-O 3.47Å; E34-C51 PolarHBondContact N-O 2.89Å; E34-C51 PolarHBondContact O-N 2.86Å; F36-C51 HydrophobicContact CE2-CB 4.47Å; C51-Y90 CarbonylContact C-O 3.56Å; C51-Y90 WeakPolarHBondContact CA-O 3.35Å; C51-Y91 HydrophobicContact CB-CD1 4.32Å
52V84.4Confident78.9Confident36 Ų3682 Ų8222%0.21841%0.406CS..EExtended strand (participates in β ladder)trans-118.2125.3-179.1-175.10000109.8K50 H89 Y90 L92K50-V52 HydrophobicContact CD-CG2 4.39Å; K50-V52 HydrophobicContact CG-CG2 4.03Å; V52-H89 CarbonylContact O-C 3.3Å; V52-H89 VanDerWaalsContact O-CA 3.26Å; V52-H89 WeakPolarHBondContact O-CA 3.43Å; V52-Y90 PolarHBondContact N-O 2.78Å; V52-Y90 PolarHBondContact O-N 3.28Å; V52-L92 HydrophobicContact CG2-CD1 4.33Å
53K82.3Confident77.7Confident136 Ų13676.1 Ų76.159%0.59138%0.382SS*.EExtended strand (participates in β ladder)trans-74.9131.5178.3-171.6174-178.21750111.3F32F32-K53 PolarHBondContact O-N 2.71Å
54K82.1Confident76.3Confident52 Ų5277 Ų7723%0.22638%0.383CS..  trans-67.3134177.3-69.9-179.7170.1-173.70111.4E85 S86 S88 Y90K54-E85 WeakPolarHBondContact CE-OE1 3.46Å; K54-E85 IonicContact NZ-OE1 3.81Å; K54-E85 PolarHBondContact NZ-OE1 3.14Å; K54-E85 IonicContact NZ-OE2 3.4Å; K54-S86 WeakPolarHBondContact CE-O 2.98Å; K54-S86 PolarHBondContact NZ-O 3.18Å; K54-S88 WeakPolarHBondContact CB-O 3.35Å; K54-S88 PolarHBondContact N-O 3.45Å; K54-Y90 HydrophobicContact CD-CE1 4.46Å; K54-Y90 HydrophobicContact CD-CE2 4.36Å; K54-Y90 HydrophobicContact CG-CD2 3.89Å; K54-Y90 HydrophobicContact CG-CE1 4.48Å; K54-Y90 HydrophobicContact CG-CE2 3.61Å; K54-Y90 HydrophobicContact CG-CG 4.45Å
55K71Confident75.1Confident111 Ų11176.6 Ų76.648%0.48337%0.372SS..  trans-108142.7166.3-69.4-176.2-178.71750109.5F32 K57F32-K55 VanDerWaalsContact CE1-NZ 3.26Å; K55-K57 PolarHBondContact O-N 3.18Å
56Q57.1Low74.2Confident199 Ų19971.7 Ų71.793%0.9335%0.351SS*.THydrogen-bonded Turntrans-59.8-5.6-174-99.1159.3-20.500116.5
57K51.5Low73.2Confident209 Ų20969.8 Ų69.891%0.90935%0.345SS*.THydrogen-bonded Turntrans-126.27.4-172.6-72.9-170.3176.4-177.40116.4K55K55-K57 PolarHBondContact O-N 3.18Å
58S53.2Low72.3Confident63 Ų6370.4 Ų70.444%0.44135%0.35SS..  trans-132.534.6-171.874.30000115.5
59I55.2Low71.5Confident81 Ų8170 Ų7042%0.41535%0.346SS..Hα-helixtrans-77.5-43.4-172.1-61.6172.1000111.9N61 L62I59-N61 PolarHBondContact O-N 2.89Å; I59-L62 PolarHBondContact O-N 2.99Å
60Q55.8Low71Confident160 Ų16074.9 Ų74.975%0.74837%0.365SS*.Hα-helixtrans-72.7-32.7-171.4-69.5178.1-16.900114.4L62Q60-L62 VanDerWaalsContact C-N 3.35Å
61N60.8Low70.6Confident110 Ų11081.9 Ų81.959%0.58840%0.395SS*.Hα-helixtrans-72.9-29.3-179.6-71.6-0.8000112.6I59 E65I59-N61 PolarHBondContact O-N 2.89Å; N61-E65 PolarHBondContact O-N 3.33Å
62L67.8Low70.3Confident34 Ų3481.6 Ų81.618%0.17839%0.392CS..Hα-helixtrans-77.3-35.6-175.1-168.170.7000112.1I59 Q60 E65 I66 Y90I59-L62 PolarHBondContact O-N 2.99Å; Q60-L62 VanDerWaalsContact C-N 3.35Å; L62-E65 WeakPolarHBondContact O-CB 3.34Å; L62-E65 PolarHBondContact O-N 3.38Å; L62-I66 HydrophobicContact CD2-CD1 4.16Å; L62-I66 HydrophobicContact CG-CD1 3.76Å; L62-I66 HydrophobicContact CG-CG1 4.27Å; L62-I66 WeakPolarHBondContact O-CD1 3.37Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; L62-I66 PolarHBondContact O-N 3.16Å; L62-Y90 HydrophobicContact CD2-CD1 4.41Å; L62-Y90 HydrophobicContact CD2-CD2 3.18Å; L62-Y90 HydrophobicContact CD2-CE1 4.38Å; L62-Y90 HydrophobicContact CD2-CE2 3.18Å; L62-Y90 HydrophobicContact CD2-CG 3.82Å
63E70.8Confident70.4Confident61 Ų6188.1 Ų88.129%0.28542%0.418SS..Hα-helixtrans-64.8-41.6179.3-67.6-176.3155.800112K11 I66 A67K11-E63 IonicContact NZ-OE1 2.88Å; K11-E63 PolarHBondContact NZ-OE1 2.73Å; E63-I66 PolarHBondContact O-N 2.9Å; E63-A67 WeakPolarHBondContact O-CB 3.47Å; E63-A67 PolarHBondContact O-N 3.29Å
64N67.5Low71Confident107 Ų10784 Ų8457%0.57240%0.4SS*.Hα-helixtrans-63.5-41.8173.6-75.4-20000111.8A67 V68N64-A67 PolarHBondContact O-N 3Å; N64-V68 WeakPolarHBondContact O-CG2 3.13Å; N64-V68 PolarHBondContact O-N 2.78Å
65E68.2Low71.5Confident24 Ų2486.9 Ų86.911%0.11242%0.419CS..Hα-helixtrans-59.2-54.3174.6-173176.1167.800109.8N61 L62 A67 V68 L69 G163 L164 S165N61-E65 PolarHBondContact O-N 3.33Å; L62-E65 WeakPolarHBondContact O-CB 3.34Å; L62-E65 PolarHBondContact O-N 3.38Å; E65-A67 VanDerWaalsContact C-N 3.31Å; E65-A67 PolarHBondContact O-N 2.78Å; E65-V68 CarbonylContact O-C 3.34Å; E65-V68 WeakPolarHBondContact O-CA 3.38Å; E65-V68 WeakPolarHBondContact O-CB 3.43Å; E65-V68 PolarHBondContact O-N 3.49Å; E65-L69 HydrophobicContact CG-CD1 4.19Å; E65-L69 HydrophobicContact CG-CD2 4.49Å; E65-L69 HydrophobicContact CG-CG 4.26Å; E65-L69 VanDerWaalsContact O-CG 3.28Å; E65-L69 WeakPolarHBondContact O-CG 3.46Å; E65-L69 PolarHBondContact O-N 2.77Å; E65-G163 VanDerWaalsContact OE1-C 3.26Å; E65-L164 PolarHBondContact OE1-N 3.02Å; E65-S165 WeakPolarHBondContact CG-O 3.31Å; E65-S165 PolarHBondContact OE1-N 2.83Å
66I76.1Confident72.7Confident1 Ų182.1 Ų82.11%0.00540%0.399CS..Hα-helixtrans-58.8-41.6-179.9-63155.4000111.9W10 L62 E63 V68 L69 R70 L80 F83W10-I66 HydrophobicContact CE3-CG2 4.25Å; W10-I66 HydrophobicContact CH2-CB 4.04Å; W10-I66 HydrophobicContact CH2-CG2 3.89Å; W10-I66 HydrophobicContact CZ3-CB 4.04Å; W10-I66 HydrophobicContact CZ3-CG2 3.36Å; L62-I66 HydrophobicContact CD2-CD1 4.16Å; L62-I66 HydrophobicContact CG-CD1 3.76Å; L62-I66 HydrophobicContact CG-CG1 4.27Å; L62-I66 WeakPolarHBondContact O-CD1 3.37Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; L62-I66 PolarHBondContact O-N 3.16Å; E63-I66 PolarHBondContact O-N 2.9Å; I66-V68 PolarHBondContact O-N 3.45Å; I66-L69 PolarHBondContact O-N 3.45Å; I66-L69 VanDerWaalsContact O-N 3.15Å; I66-R70 HydrophobicContact CG2-CG 4.38Å; I66-R70 WeakPolarHBondContact O-CG 3.44Å; I66-R70 PolarHBondContact O-N 3.2Å; I66-L80 HydrophobicContact CG2-CD2 3.82Å; I66-F83 HydrophobicContact CD1-CD2 3.87Å; I66-F83 HydrophobicContact CD1-CE1 4Å; I66-F83 HydrophobicContact CD1-CE2 3.2Å; I66-F83 HydrophobicContact CD1-CG 4.48Å; I66-F83 HydrophobicContact CD1-CZ 3.26Å; I66-F83 HydrophobicContact CG1-CD2 4.35Å; I66-F83 HydrophobicContact CG1-CE2 4.08Å; I66-F83 HydrophobicContact CG1-CZ 4.49Å; I66-F83 HydrophobicContact CG2-CB 4.24Å; I66-F83 HydrophobicContact CG2-CD1 4.45Å; I66-F83 HydrophobicContact CG2-CD2 3.98Å; I66-F83 HydrophobicContact CG2-CE2 4.43Å; I66-F83 HydrophobicContact CG2-CG 3.96Å
67A75.9Confident74.3Confident30 Ų3072.8 Ų72.825%0.24836%0.355CS..Hα-helixtrans-58.8-34.3177.100000112.2W10 E63 N64 E65W10-A67 HydrophobicContact CZ2-CB 4.49Å; E63-A67 WeakPolarHBondContact O-CB 3.47Å; E63-A67 PolarHBondContact O-N 3.29Å; N64-A67 PolarHBondContact O-N 3Å; E65-A67 VanDerWaalsContact C-N 3.31Å; E65-A67 PolarHBondContact O-N 2.78Å
68V73.8Confident76.1Confident25 Ų2563.1 Ų63.115%0.15231%0.313CS..Hα-helixtrans-76.1-45.2174.7173.90000110.5N64 E65 I66 R70 K71 I72 I136 M167N64-V68 WeakPolarHBondContact O-CG2 3.13Å; N64-V68 PolarHBondContact O-N 2.78Å; E65-V68 CarbonylContact O-C 3.34Å; E65-V68 WeakPolarHBondContact O-CA 3.38Å; E65-V68 WeakPolarHBondContact O-CB 3.43Å; E65-V68 PolarHBondContact O-N 3.49Å; I66-V68 PolarHBondContact O-N 3.45Å; V68-R70 PolarHBondContact O-N 3.14Å; V68-K71 WeakPolarHBondContact O-CA 3.33Å; V68-K71 WeakPolarHBondContact O-CB 3.11Å; V68-K71 PolarHBondContact O-N 3.06Å; V68-I72 PolarHBondContact O-N 2.89Å; V68-I136 HydrophobicContact CG1-CD1 3.33Å; V68-I136 HydrophobicContact CG1-CG1 3.7Å; V68-M167 HydrophobicContact CB-SD 4.13Å; V68-M167 HydrophobicContact CG1-SD 3.95Å; V68-M167 HydrophobicContact CG2-CE 3.52Å; V68-M167 HydrophobicContact CG2-CG 4.14Å; V68-M167 HydrophobicContact CG2-SD 3.32Å; V68-M167 WeakPolarHBondContact CG2-SD 3.2Å
69L76.3Confident77.7Confident3 Ų361 Ų612%0.01630%0.302CS..Hα-helixtrans-55.9-35.5178.2-61.3-174.3000112.5E65 I66 K71 I72 L80 F162E65-L69 HydrophobicContact CG-CD1 4.19Å; E65-L69 HydrophobicContact CG-CD2 4.49Å; E65-L69 HydrophobicContact CG-CG 4.26Å; E65-L69 VanDerWaalsContact O-CG 3.28Å; E65-L69 WeakPolarHBondContact O-CG 3.46Å; E65-L69 PolarHBondContact O-N 2.77Å; I66-L69 PolarHBondContact O-N 3.45Å; I66-L69 VanDerWaalsContact O-N 3.15Å; L69-K71 VanDerWaalsContact C-N 3.27Å; L69-K71 PolarHBondContact O-N 2.92Å; L69-I72 HydrophobicContact CD2-CD1 3.63Å; L69-I72 WeakPolarHBondContact O-CB 3.2Å; L69-I72 PolarHBondContact O-N 2.93Å; L69-L80 HydrophobicContact CB-CD2 3.9Å; L69-F162 HydrophobicContact CB-CE2 3.99Å; L69-F162 HydrophobicContact CD1-CD2 3.8Å; L69-F162 HydrophobicContact CD1-CE2 3.64Å; L69-F162 HydrophobicContact CD2-CD2 3.22Å; L69-F162 HydrophobicContact CD2-CE2 3.32Å; L69-F162 HydrophobicContact CD2-CG 4.37Å; L69-F162 HydrophobicContact CG-CD2 3.98Å; L69-F162 HydrophobicContact CG-CE2 3.74Å
70R81.9Confident79.3Confident103 Ų10358 Ų5839%0.38929%0.287SS..THydrogen-bonded Turntrans-67.9-23.3175.9-69.3-17969.4-124.23.5114W10 I66 V68 L80W10-R70 VanDerWaalsContact CG-NH1 3.34Å; I66-R70 HydrophobicContact CG2-CG 4.38Å; I66-R70 WeakPolarHBondContact O-CG 3.44Å; I66-R70 PolarHBondContact O-N 3.2Å; V68-R70 PolarHBondContact O-N 3.14Å; R70-L80 HydrophobicContact CG-CD2 3.58Å; R70-L80 HydrophobicContact CG-CG 4.25Å
71K81.6Confident80.9Confident161 Ų16155 Ų5570%0.727%0.272SS*.THydrogen-bonded Turntrans-87.3-18.8178.4-65.7177.4-177.81790112.3V68 L69 K73V68-K71 WeakPolarHBondContact O-CA 3.33Å; V68-K71 WeakPolarHBondContact O-CB 3.11Å; V68-K71 PolarHBondContact O-N 3.06Å; L69-K71 VanDerWaalsContact C-N 3.27Å; L69-K71 PolarHBondContact O-N 2.92Å; K71-K73 PolarHBondContact O-N 3.5Å
72I83.5Confident82.3Confident7 Ų751 Ų514%0.03625%0.251CS..  trans-65.5117.7176.5-60.2174.7000108.7V68 L69 V77 Y130 L131 I136 F162V68-I72 PolarHBondContact O-N 2.89Å; L69-I72 HydrophobicContact CD2-CD1 3.63Å; L69-I72 WeakPolarHBondContact O-CB 3.2Å; L69-I72 PolarHBondContact O-N 2.93Å; I72-V77 HydrophobicContact CG2-CB 4.18Å; I72-V77 HydrophobicContact CG2-CG1 3.72Å; I72-Y130 HydrophobicContact CB-CE1 4.34Å; I72-Y130 HydrophobicContact CG2-CD1 4.45Å; I72-Y130 HydrophobicContact CG2-CE1 3.78Å; I72-L131 HydrophobicContact CD1-CD2 3.83Å; I72-L131 HydrophobicContact CG1-CD2 4.42Å; I72-L131 HydrophobicContact CG2-CD2 4.19Å; I72-I136 HydrophobicContact CD1-CD1 3.36Å; I72-I136 HydrophobicContact CG1-CD1 3.64Å; I72-F162 HydrophobicContact CD1-CE2 4.42Å
73K87.3Confident83.4Confident173 Ų17349.3 Ų49.375%0.75224%0.242SC*.  trans-137102.1171.4-66.9-172.9179.1-1750108.3K71 Y130K71-K73 PolarHBondContact O-N 3.5Å; K73-Y130 PolarHBondContact N-OH 3.09Å; K73-Y130 PolarHBondContact O-OH 2.93Å
74H92.8Very high84.4Confident49 Ų4947.3 Ų47.323%0.22723%0.232CC..  trans-144.2143.1178.8-173.7-89.3000109.8N76 V77 Y130H74-N76 PolarHBondContact CE1-OD1 3.12Å; H74-N76 PolarHBondContact ND1-N 3.31Å; H74-N76 PolarHBondContact O-N 2.82Å; H74-N76 VanDerWaalsContact O-N 3.14Å; H74-V77 HydrophobicContact CB-CB 4.11Å; H74-V77 HydrophobicContact CB-CG2 3.92Å; H74-V77 PolarHBondContact O-N 3.48Å; H74-Y130 HydrophobicContact CB-CD1 3.72Å; H74-Y130 HydrophobicContact CB-CE1 3.97Å; H74-Y130 HydrophobicContact CB-CG 4.03Å; H74-Y130 AromaticContact CD2-CG 3.71Å
75D93.5Very high85.5Confident114 Ų11443.5 Ų43.561%0.6121%0.211SC*.THydrogen-bonded Turntrans-61.6-27.3-174.3-91.3-43.5000114K156 M158D75-K156 VanDerWaalsContact O-CD 3.31Å; D75-K156 WeakPolarHBondContact O-CD 3.15Å; D75-K156 WeakPolarHBondContact O-CE 3.25Å; D75-K156 PolarHBondContact O-NZ 2.86Å; D75-K156 IonicContact OD1-NZ 2.86Å; D75-K156 PolarHBondContact OD1-NZ 2.92Å; D75-M158 WeakPolarHBondContact O-CE 3.36Å
76N95.3Very high86.5Confident11 Ų1142.8 Ų42.86%0.05921%0.208CC..THydrogen-bonded Turntrans-109.617.5-178.5-56.9103.4000113.5H74 Q123 A127 I157 I159H74-N76 PolarHBondContact CE1-OD1 3.12Å; H74-N76 PolarHBondContact ND1-N 3.31Å; H74-N76 PolarHBondContact O-N 2.82Å; H74-N76 VanDerWaalsContact O-N 3.14Å; N76-Q123 PolarHBondContact ND2-OE1 3.29Å; N76-A127 HydrophobicContact CB-CB 3.89Å; N76-I157 WeakPolarHBondContact CB-O 3.45Å; N76-I157 PolarHBondContact ND2-O 3.24Å; N76-I159 PolarHBondContact O-N 3.18Å
77V91.5Very high87.1Confident3 Ų353.2 Ų53.22%0.01825%0.248CC..BIsolated β-bridgetrans-124.7132174.5-177.80000108.8I72 H74 G79 A127 L131 F162I72-V77 HydrophobicContact CG2-CB 4.18Å; I72-V77 HydrophobicContact CG2-CG1 3.72Å; H74-V77 HydrophobicContact CB-CB 4.11Å; H74-V77 HydrophobicContact CB-CG2 3.92Å; H74-V77 PolarHBondContact O-N 3.48Å; V77-G79 PolarHBondContact O-N 3.47Å; V77-A127 HydrophobicContact CG2-CB 3.77Å; V77-L131 HydrophobicContact CG1-CD2 4.47Å; V77-L131 HydrophobicContact CG2-CG 4.47Å; V77-F162 HydrophobicContact CG1-CD1 3.92Å; V77-F162 HydrophobicContact CG1-CE1 3.52Å; V77-F162 HydrophobicContact CG1-CZ 4.36Å
78V88.9Confident87.6Confident5 Ų554.7 Ų54.73%0.0326%0.256CS..  trans-61121.2178.7174.30000110.1M94 Q95 V97 M158 I159 F162V78-M94 HydrophobicContact CB-CE 4.4Å; V78-M94 HydrophobicContact CG1-CB 3.94Å; V78-M94 HydrophobicContact CG1-CE 3.79Å; V78-Q95 HydrophobicContact CG1-CB 4.15Å; V78-Q95 WeakPolarHBondContact CG1-O 3.47Å; V78-V97 HydrophobicContact CG2-CG2 3.7Å; V78-M158 HydrophobicContact CG2-CB 4.2Å; V78-I159 WeakPolarHBondContact CG2-O 3.13Å; V78-I159 PolarHBondContact N-O 3.3Å; V78-F162 HydrophobicContact CB-CE1 4.4Å; V78-F162 WeakPolarHBondContact O-CE1 2.8Å; V78-F162 WeakPolarHBondContact O-CZ 3.39Å
79G87.4Confident88.3Confident19 Ų1956 Ų5620%0.19626%0.261CS..  trans-73.8144.1179.200000113V77 M94 Q95V77-G79 PolarHBondContact O-N 3.47Å; G79-M94 WeakPolarHBondContact O-CA 3.3Å; G79-Q95 PolarHBondContact O-N 2.97Å
80L88.8Confident88.8Confident19 Ų1956.2 Ų56.210%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-89.3110165.4-178.267000108.9I66 L69 R70 D82 L92 M94I66-L80 HydrophobicContact CG2-CD2 3.82Å; L69-L80 HydrophobicContact CB-CD2 3.9Å; R70-L80 HydrophobicContact CG-CD2 3.58Å; R70-L80 HydrophobicContact CG-CG 4.25Å; L80-D82 WeakPolarHBondContact CD1-O 3.32Å; L80-L92 HydrophobicContact CD1-CB 3.78Å; L80-L92 HydrophobicContact CD1-CG 4.22Å; L80-M94 HydrophobicContact CD1-CG 4.17Å
81E89.1Confident89.3Confident96 Ų9652.5 Ų52.545%0.44925%0.248SC..EExtended strand (participates in β ladder)trans-82.8-42.6-176.5-66.1-86.8-140.900111K45 F47 V93K45-E81 IonicContact NZ-OE1 2.91Å; K45-E81 PolarHBondContact NZ-OE1 3.38Å; F47-E81 HydrophobicContact CD1-CB 4.36Å; F47-E81 HydrophobicContact CD1-CG 4.12Å; F47-E81 HydrophobicContact CE1-CB 4Å; F47-E81 HydrophobicContact CE1-CG 3.8Å; E81-V93 HydrophobicContact CB-CG1 4.43Å; E81-V93 WeakPolarHBondContact CB-O 3.24Å; E81-V93 PolarHBondContact N-O 3.18Å
82D90.6Very high89.7Confident25 Ų2545.3 Ų45.313%0.13422%0.217CC..EExtended strand (participates in β ladder)trans-153163.9-176.8-145-18.7000112.6K12 L80 Y84 V93K12-D82 WeakPolarHBondContact CD-OD1 3.17Å; K12-D82 VanDerWaalsContact CE-OD1 3.23Å; K12-D82 WeakPolarHBondContact CE-OD1 3.28Å; K12-D82 WeakPolarHBondContact CE-OD2 3.21Å; K12-D82 IonicContact NZ-OD1 2.61Å; K12-D82 PolarHBondContact NZ-OD1 2.78Å; K12-D82 IonicContact NZ-OD2 3.73Å; K12-D82 PolarHBondContact NZ-OD2 2.74Å; L80-D82 WeakPolarHBondContact CD1-O 3.32Å; D82-Y84 HydrophobicContact CB-CE2 3.97Å; D82-Y84 WeakPolarHBondContact OD2-CE2 3.34Å; D82-Y84 PolarHBondContact OD2-OH 3.16Å; D82-V93 HydrophobicContact CB-CB 3.77Å; D82-V93 HydrophobicContact CB-CG1 4.39Å; D82-V93 HydrophobicContact CB-CG2 3.98Å; D82-V93 PolarHBondContact N-O 2.93Å; D82-V93 VanDerWaalsContact N-O 3.16Å; D82-V93 PolarHBondContact O-N 2.77Å
83F90.8Very high90.1Very high0 Ų045 Ų450%022%0.215CC..EExtended strand (participates in β ladder)trans-139.6125.4178.8179.4-102.9000111.5W10 K11 K12 I66 E85 Y90 L92W10-F83 HydrophobicContact CE3-CB 4.48Å; W10-F83 HydrophobicContact CE3-CD1 4.13Å; W10-F83 HydrophobicContact CH2-CD1 4.48Å; W10-F83 HydrophobicContact CZ3-CB 4.37Å; W10-F83 AromaticContact CZ3-CD1 3.55Å; W10-F83 HydrophobicContact CZ3-CD1 3.55Å; W10-F83 HydrophobicContact CZ3-CE1 4.02Å; W10-F83 HydrophobicContact CZ3-CG 4.07Å; K11-F83 HydrophobicContact CB-CD1 4.46Å; K11-F83 HydrophobicContact CD-CE1 4.34Å; K11-F83 HydrophobicContact CG-CD1 4.06Å; K11-F83 HydrophobicContact CG-CE1 3.9Å; K12-F83 PolarHBondContact N-O 2.69Å; K12-F83 VanDerWaalsContact N-O 3.1Å; I66-F83 HydrophobicContact CD1-CD2 3.87Å; I66-F83 HydrophobicContact CD1-CE1 4Å; I66-F83 HydrophobicContact CD1-CE2 3.2Å; I66-F83 HydrophobicContact CD1-CG 4.48Å; I66-F83 HydrophobicContact CD1-CZ 3.26Å; I66-F83 HydrophobicContact CG1-CD2 4.35Å; I66-F83 HydrophobicContact CG1-CE2 4.08Å; I66-F83 HydrophobicContact CG1-CZ 4.49Å; I66-F83 HydrophobicContact CG2-CB 4.24Å; I66-F83 HydrophobicContact CG2-CD1 4.45Å; I66-F83 HydrophobicContact CG2-CD2 3.98Å; I66-F83 HydrophobicContact CG2-CE2 4.43Å; I66-F83 HydrophobicContact CG2-CG 3.96Å; F83-E85 HydrophobicContact CE1-CB 4.29Å; F83-Y90 HydrophobicContact CE1-CD1 4.36Å; F83-Y90 HydrophobicContact CE2-CD1 4.11Å; F83-Y90 HydrophobicContact CE2-CG 4.34Å; F83-Y90 AromaticContact CZ-CD1 3.41Å; F83-Y90 HydrophobicContact CZ-CD1 3.41Å; F83-Y90 VanDerWaalsContact CZ-CD1 3.41Å; F83-Y90 HydrophobicContact CZ-CE1 4.08Å; F83-Y90 HydrophobicContact CZ-CG 4.08Å; F83-L92 HydrophobicContact CD2-CD1 4.23Å; F83-L92 HydrophobicContact CD2-CG 4.18Å; F83-L92 HydrophobicContact CE2-CD1 3.99Å; F83-L92 HydrophobicContact CE2-CG 4.4Å
84Y92Very high90.3Very high18 Ų1837.6 Ų37.67%0.07118%0.184CC..EExtended strand (participates in β ladder)trans-118.2148.9174.8-62.7-105.6000111.5K12 T14 I17 V20 F21 D82 Y91 V93K12-Y84 HydrophobicContact CB-CD1 3.47Å; K12-Y84 VanDerWaalsContact CB-CD1 3.47Å; K12-Y84 HydrophobicContact CB-CE1 3.63Å; K12-Y84 HydrophobicContact CB-CG 4.03Å; K12-Y84 HydrophobicContact CD-CD1 4.28Å; K12-Y84 HydrophobicContact CD-CE1 3.62Å; K12-Y84 HydrophobicContact CD-CE2 4.12Å; K12-Y84 HydrophobicContact CG-CE1 4.27Å; K12-Y84 CarbonylContact O-C 3.58Å; K12-Y84 WeakPolarHBondContact O-CA 3.08Å; T14-Y84 HydrophobicContact CG2-CD1 4.12Å; I17-Y84 HydrophobicContact CD1-CD1 4.05Å; I17-Y84 HydrophobicContact CD1-CD2 4.15Å; I17-Y84 HydrophobicContact CD1-CG 3.76Å; V20-Y84 HydrophobicContact CG1-CE1 4.35Å; V20-Y84 HydrophobicContact CG2-CE1 4.34Å; F21-Y84 HydrophobicContact CE2-CD2 4.28Å; F21-Y84 AromaticContact CE2-CE2 3.71Å; F21-Y84 HydrophobicContact CE2-CE2 3.71Å; F21-Y84 AromaticContact CE2-CZ 3.99Å; F21-Y84 HydrophobicContact CZ-CE2 4.12Å; D82-Y84 HydrophobicContact CB-CE2 3.97Å; D82-Y84 WeakPolarHBondContact OD2-CE2 3.34Å; D82-Y84 PolarHBondContact OD2-OH 3.16Å; Y84-Y91 PolarHBondContact N-O 2.74Å; Y84-Y91 PolarHBondContact O-N 2.97Å; Y84-V93 HydrophobicContact CD2-CG2 3.91Å; Y84-V93 HydrophobicContact CE2-CG2 3.97Å
85E90.2Very high90.2Very high27 Ų2737.7 Ų37.713%0.12618%0.184CC..EExtended strand (participates in β ladder)trans-128.2133.1175.1-174.9-172.3-134.500110.1K11 K12 T13 T14 K54 F83 Y90K11-E85 WeakPolarHBondContact CE-OE1 3.32Å; K11-E85 WeakPolarHBondContact CE-OE2 3.03Å; K11-E85 HydrophobicContact CG-CB 4.44Å; K11-E85 IonicContact NZ-OE1 2.76Å; K11-E85 PolarHBondContact NZ-OE1 3.33Å; K11-E85 IonicContact NZ-OE2 3.11Å; K11-E85 PolarHBondContact NZ-OE2 3.31Å; K12-E85 PolarHBondContact O-N 3.15Å; T13-E85 CarbonylContact C-O 3.56Å; T13-E85 WeakPolarHBondContact CA-O 3.17Å; T14-E85 PolarHBondContact N-O 2.99Å; K54-E85 WeakPolarHBondContact CE-OE1 3.46Å; K54-E85 IonicContact NZ-OE1 3.81Å; K54-E85 PolarHBondContact NZ-OE1 3.14Å; K54-E85 IonicContact NZ-OE2 3.4Å; F83-E85 HydrophobicContact CE1-CB 4.29Å; E85-Y90 HydrophobicContact CB-CD1 4.33Å; E85-Y90 HydrophobicContact CG-CD1 3.89Å; E85-Y90 HydrophobicContact CG-CE1 3.87Å; E85-Y90 VanDerWaalsContact OE1-CE1 3.24Å; E85-Y90 WeakPolarHBondContact OE1-CE1 3.22Å
86S90.3Very high90Very high9 Ų934 Ų346%0.06316%0.164CC..  trans-113.3179163.871.90000110.6T14 K54 S88 H89 Y91T14-S86 WeakPolarHBondContact O-CA 3.4Å; T14-S86 VanDerWaalsContact O-CB 3.23Å; T14-S86 WeakPolarHBondContact O-CB 3.49Å; K54-S86 WeakPolarHBondContact CE-O 2.98Å; K54-S86 PolarHBondContact NZ-O 3.18Å; S86-S88 PolarHBondContact O-N 2.97Å; S86-S88 VanDerWaalsContact O-N 3.16Å; S86-S88 PolarHBondContact OG-N 3.15Å; S86-H89 PolarHBondContact N-O 2.89Å; S86-H89 PolarHBondContact OG-N 2.85Å; S86-H89 VanDerWaalsContact OG-N 3.12Å; S86-H89 PolarHBondContact OG-O 3.25Å; S86-Y91 PolarHBondContact OG-OH 2.82Å
87R87.5Confident89.7Confident220 Ų22034.5 Ų34.583%0.8317%0.168SC*.SBendtrans-57.9-29.8176.6-62.9-177.1-170.7-176.62.1113.1
88S86.3Confident89.4Confident61 Ų6137.4 Ų37.443%0.42719%0.192SC..SBendtrans-116.2-18.8-171.1560000114.5K54 S86K54-S88 WeakPolarHBondContact CB-O 3.35Å; K54-S88 PolarHBondContact N-O 3.45Å; S86-S88 PolarHBondContact O-N 2.97Å; S86-S88 VanDerWaalsContact O-N 3.16Å; S86-S88 PolarHBondContact OG-N 3.15Å
89H88.1Confident89.2Confident54 Ų5437.3 Ų37.325%0.2519%0.192CC..EExtended strand (participates in β ladder)trans-138.7157.9-173.2-64.680.6000113V52 S86 Y91V52-H89 CarbonylContact O-C 3.3Å; V52-H89 VanDerWaalsContact O-CA 3.26Å; V52-H89 WeakPolarHBondContact O-CA 3.43Å; S86-H89 PolarHBondContact N-O 2.89Å; S86-H89 PolarHBondContact OG-N 2.85Å; S86-H89 VanDerWaalsContact OG-N 3.12Å; S86-H89 PolarHBondContact OG-O 3.25Å; H89-Y91 HydrophobicContact CB-CE1 4.06Å; H89-Y91 HydrophobicContact CB-CE2 3.94Å
90Y87.9Confident89.1Confident7 Ų738.2 Ų38.23%0.02720%0.201CC..EExtended strand (participates in β ladder)trans-106.1141.8161.4-60.4-63.2000109C51 V52 K54 L62 F83 E85C51-Y90 CarbonylContact C-O 3.56Å; C51-Y90 WeakPolarHBondContact CA-O 3.35Å; V52-Y90 PolarHBondContact N-O 2.78Å; V52-Y90 PolarHBondContact O-N 3.28Å; K54-Y90 HydrophobicContact CD-CE1 4.46Å; K54-Y90 HydrophobicContact CD-CE2 4.36Å; K54-Y90 HydrophobicContact CG-CD2 3.89Å; K54-Y90 HydrophobicContact CG-CE1 4.48Å; K54-Y90 HydrophobicContact CG-CE2 3.61Å; K54-Y90 HydrophobicContact CG-CG 4.45Å; L62-Y90 HydrophobicContact CD2-CD1 4.41Å; L62-Y90 HydrophobicContact CD2-CD2 3.18Å; L62-Y90 HydrophobicContact CD2-CE1 4.38Å; L62-Y90 HydrophobicContact CD2-CE2 3.18Å; L62-Y90 HydrophobicContact CD2-CG 3.82Å; F83-Y90 HydrophobicContact CE1-CD1 4.36Å; F83-Y90 HydrophobicContact CE2-CD1 4.11Å; F83-Y90 HydrophobicContact CE2-CG 4.34Å; F83-Y90 AromaticContact CZ-CD1 3.41Å; F83-Y90 HydrophobicContact CZ-CD1 3.41Å; F83-Y90 VanDerWaalsContact CZ-CD1 3.41Å; F83-Y90 HydrophobicContact CZ-CE1 4.08Å; F83-Y90 HydrophobicContact CZ-CG 4.08Å; E85-Y90 HydrophobicContact CB-CD1 4.33Å; E85-Y90 HydrophobicContact CG-CD1 3.89Å; E85-Y90 HydrophobicContact CG-CE1 3.87Å; E85-Y90 VanDerWaalsContact OE1-CE1 3.24Å; E85-Y90 WeakPolarHBondContact OE1-CE1 3.22Å
91Y91.1Very high89Confident25 Ų2540.3 Ų40.310%0.09821%0.21CC..EExtended strand (participates in β ladder)trans-125.3112177.8-47.6-90.6000109T14 I17 M49 K50 C51 Y84 S86 H89T14-Y91 HydrophobicContact CG2-CE2 4.45Å; I17-Y91 HydrophobicContact CB-CD1 4.32Å; I17-Y91 HydrophobicContact CB-CD2 4.45Å; I17-Y91 HydrophobicContact CB-CE1 4.06Å; I17-Y91 HydrophobicContact CB-CE2 4.19Å; I17-Y91 HydrophobicContact CD1-CD2 4.23Å; I17-Y91 HydrophobicContact CD1-CG 4.16Å; I17-Y91 HydrophobicContact CG1-CD1 3.99Å; I17-Y91 HydrophobicContact CG1-CD2 4.3Å; I17-Y91 HydrophobicContact CG1-CE1 4.24Å; I17-Y91 HydrophobicContact CG1-CG 4.03Å; I17-Y91 HydrophobicContact CG2-CD1 4.21Å; I17-Y91 HydrophobicContact CG2-CE1 3.64Å; M49-Y91 HydrophobicContact SD-CD1 3.9Å; M49-Y91 HydrophobicContact SD-CG 4.37Å; K50-Y91 WeakPolarHBondContact O-CA 3.45Å; C51-Y91 HydrophobicContact CB-CD1 4.32Å; Y84-Y91 PolarHBondContact N-O 2.74Å; Y84-Y91 PolarHBondContact O-N 2.97Å; S86-Y91 PolarHBondContact OG-OH 2.82Å; H89-Y91 HydrophobicContact CB-CE1 4.06Å; H89-Y91 HydrophobicContact CB-CE2 3.94Å
92L90Very high88.9Confident9 Ų935.8 Ų35.85%0.04719%0.189CC..EExtended strand (participates in β ladder)trans-96.3113.3177-70.971.2000107.4M49 K50 V52 L80 F83 M94M49-L92 WeakPolarHBondContact CA-O 3.41Å; K50-L92 HydrophobicContact CB-CB 4.3Å; K50-L92 PolarHBondContact N-O 3.18Å; K50-L92 PolarHBondContact O-N 3.18Å; V52-L92 HydrophobicContact CG2-CD1 4.33Å; L80-L92 HydrophobicContact CD1-CB 3.78Å; L80-L92 HydrophobicContact CD1-CG 4.22Å; F83-L92 HydrophobicContact CD2-CD1 4.23Å; F83-L92 HydrophobicContact CD2-CG 4.18Å; F83-L92 HydrophobicContact CE2-CD1 3.99Å; F83-L92 HydrophobicContact CE2-CG 4.4Å; L92-M94 HydrophobicContact CB-CG 4.24Å; L92-M94 HydrophobicContact CB-SD 4.46Å; L92-M94 PolarHBondContact O-N 2.78Å
93V92.6Very high88.6Confident1 Ų134.7 Ų34.71%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-89.7106.7177.2-1750000107.6F21 F47 M49 E81 D82 Y84F21-V93 HydrophobicContact CE1-CG1 4.27Å; F21-V93 HydrophobicContact CE2-CG2 4.1Å; F21-V93 HydrophobicContact CZ-CG1 4.13Å; F21-V93 HydrophobicContact CZ-CG2 3.82Å; F47-V93 HydrophobicContact CB-CG1 3.74Å; F47-V93 HydrophobicContact CD1-CG1 3.71Å; F47-V93 HydrophobicContact CD2-CG1 4.13Å; F47-V93 HydrophobicContact CE1-CG1 4.28Å; F47-V93 HydrophobicContact CG-CG1 3.59Å; M49-V93 HydrophobicContact CE-CG2 3.91Å; E81-V93 HydrophobicContact CB-CG1 4.43Å; E81-V93 WeakPolarHBondContact CB-O 3.24Å; E81-V93 PolarHBondContact N-O 3.18Å; D82-V93 HydrophobicContact CB-CB 3.77Å; D82-V93 HydrophobicContact CB-CG1 4.39Å; D82-V93 HydrophobicContact CB-CG2 3.98Å; D82-V93 PolarHBondContact N-O 2.93Å; D82-V93 VanDerWaalsContact N-O 3.16Å; D82-V93 PolarHBondContact O-N 2.77Å; Y84-V93 HydrophobicContact CD2-CG2 3.91Å; Y84-V93 HydrophobicContact CE2-CG2 3.97Å
94M91.3Very high88.4Confident18 Ų1837.3 Ų37.39%0.08920%0.197CC..EExtended strand (participates in β ladder)trans-110155.1-172.3-56.1176.472.800110.4A48 K50 V78 G79 L80 L92 L96 F162A48-M94 PolarHBondContact N-O 2.79Å; A48-M94 WeakPolarHBondContact O-CA 3.35Å; A48-M94 WeakPolarHBondContact O-CB 3.3Å; A48-M94 PolarHBondContact O-N 2.9Å; K50-M94 HydrophobicContact CB-SD 4.28Å; V78-M94 HydrophobicContact CB-CE 4.4Å; V78-M94 HydrophobicContact CG1-CB 3.94Å; V78-M94 HydrophobicContact CG1-CE 3.79Å; G79-M94 WeakPolarHBondContact O-CA 3.3Å; L80-M94 HydrophobicContact CD1-CG 4.17Å; L92-M94 HydrophobicContact CB-CG 4.24Å; L92-M94 HydrophobicContact CB-SD 4.46Å; L92-M94 PolarHBondContact O-N 2.78Å; M94-L96 PolarHBondContact O-N 2.86Å; M94-F162 HydrophobicContact CE-CE1 4.47Å; M94-F162 HydrophobicContact CE-CZ 4.23Å
95Q90.6Very high88.1Confident50 Ų5037.6 Ų37.623%0.23420%0.198CC..EExtended strand (participates in β ladder)trans-55.3128170.4-178-179.21600110.1V78 G79 Y149V78-Q95 HydrophobicContact CG1-CB 4.15Å; V78-Q95 WeakPolarHBondContact CG1-O 3.47Å; G79-Q95 PolarHBondContact O-N 2.97Å; Q95-Y149 VanDerWaalsContact NE2-CE2 3.3Å
96L90.4Very high88Confident36 Ų3636.3 Ų36.319%0.18819%0.192CC..  trans-72.4131.5175-17763.4000110.1L27 M37 L46 A48 M94L27-L96 HydrophobicContact CD1-CD1 3.78Å; M37-L96 HydrophobicContact CG-CD1 4.49Å; M37-L96 HydrophobicContact CG-CD2 4.22Å; M37-L96 HydrophobicContact SD-CD2 3.92Å; L46-L96 HydrophobicContact CB-CD2 3.81Å; L46-L96 HydrophobicContact CD1-CD2 4.48Å; A48-L96 HydrophobicContact CB-CD1 4.1Å; M94-L96 PolarHBondContact O-N 2.86Å
97V89.2Confident87.8Confident23 Ų2337.6 Ų37.614%0.13920%0.198CC..  trans-120.2117.1176.2174.70000107.7V78 L147 Y148 M158V78-V97 HydrophobicContact CG2-CG2 3.7Å; V97-L147 HydrophobicContact CG1-CB 3.55Å; V97-L147 HydrophobicContact CG1-CD1 4.39Å; V97-Y148 WeakPolarHBondContact CG1-O 3.43Å; V97-M158 HydrophobicContact CG1-CB 4.38Å; V97-M158 HydrophobicContact CG1-CG 4.27Å; V97-M158 HydrophobicContact CG2-CB 4.21Å; V97-M158 HydrophobicContact CG2-CG 4.08Å
98A84.5Confident87.8Confident63 Ų6333.3 Ų33.352%0.52119%0.192SC..  trans-123.412-166.600000113.8G100 Y149A98-G100 VanDerWaalsContact C-N 3.34Å; A98-Y149 PolarHBondContact N-O 3.1Å; A98-Y149 VanDerWaalsContact N-O 3.16Å
99G84.6Confident87.6Confident3 Ų334.2 Ų34.23%0.03119%0.186CC..SBendtrans-85.9-0.3-178.800000115.7R105 Y148 Y149 S150G99-R105 WeakPolarHBondContact O-CD 3.43Å; G99-R105 PolarHBondContact O-NH1 3.15Å; G99-Y148 WeakPolarHBondContact CA-O 3.35Å; G99-Y148 PolarHBondContact N-O 2.86Å; G99-Y149 PolarHBondContact N-O 3.37Å; G99-S150 VanDerWaalsContact CA-O 3.22Å; G99-S150 WeakPolarHBondContact CA-O 3.49Å
100G85.3Confident87.4Confident38 Ų3833.5 Ų33.539%0.39219%0.193SC..  trans84.6174.917900000114.3A98 L147 Y148A98-G100 VanDerWaalsContact C-N 3.34Å; G100-L147 WeakPolarHBondContact O-CA 3.36Å; G100-Y148 PolarHBondContact O-N 2.84Å
101E86.1Confident87.5Confident64 Ų6439.6 Ų39.630%0.29922%0.223SC..BIsolated β-bridgetrans-71.9152.3179.4-66.8-177.6-154.200112.2F103 D104 R105 L147E101-F103 VanDerWaalsContact C-N 3.34Å; E101-F103 PolarHBondContact O-N 3.23Å; E101-D104 PolarHBondContact O-N 2.79Å; E101-R105 WeakPolarHBondContact O-CG 3.45Å; E101-R105 PolarHBondContact O-N 2.9Å; E101-L147 HydrophobicContact CB-CD2 4.35Å; E101-L147 HydrophobicContact CG-CD2 3.77Å
102L86.6Confident87.7Confident0 Ų038.6 Ų38.60%022%0.219CC..Hα-helixtrans-52.9-47.1-179.2174.855.8000113.5I106 V120 L146 Y148 I157 L209L102-I106 HydrophobicContact CD1-CD1 4.35Å; L102-I106 WeakPolarHBondContact O-CG1 3.26Å; L102-I106 PolarHBondContact O-N 3.47Å; L102-V120 HydrophobicContact CD1-CG1 3.83Å; L102-V120 HydrophobicContact CD1-CG2 4.16Å; L102-V120 HydrophobicContact CD2-CG1 4.07Å; L102-L146 HydrophobicContact CB-CB 4.2Å; L102-L146 WeakPolarHBondContact CB-O 3.41Å; L102-L146 HydrophobicContact CD2-CB 4.08Å; L102-L146 HydrophobicContact CD2-CD1 3.74Å; L102-L146 PolarHBondContact N-O 2.93Å; L102-L146 VanDerWaalsContact N-O 3.11Å; L102-Y148 HydrophobicContact CD1-CE2 3.81Å; L102-I157 HydrophobicContact CB-CD1 4.33Å; L102-I157 HydrophobicContact CD1-CD1 4.18Å; L102-L209 HydrophobicContact CD1-CD2 4.27Å; L102-L209 HydrophobicContact CD2-CD1 4.25Å; L102-L209 HydrophobicContact CD2-CD2 3.8Å; L102-L209 HydrophobicContact CD2-CG 4.42Å; L102-L209 HydrophobicContact CG-CD2 3.99Å
103F85.9Confident88Confident2 Ų238.7 Ų38.71%0.00922%0.221CC..Hα-helixtrans-77.8-35.3-174.8-74.4-60.8000113.8E101 R105 I106 L107 P143 I208 L209 I292 F296E101-F103 VanDerWaalsContact C-N 3.34Å; E101-F103 PolarHBondContact O-N 3.23Å; F103-R105 PolarHBondContact O-N 2.77Å; F103-I106 HydrophobicContact CD1-CD1 3.92Å; F103-I106 HydrophobicContact CE1-CD1 4.3Å; F103-I106 WeakPolarHBondContact O-CB 3.47Å; F103-I106 PolarHBondContact O-N 3.16Å; F103-I106 VanDerWaalsContact O-N 3.1Å; F103-L107 WeakPolarHBondContact O-CG 3.44Å; F103-L107 PolarHBondContact O-N 3.04Å; F103-P143 HydrophobicContact CD2-CB 3.63Å; F103-P143 HydrophobicContact CD2-CG 4.27Å; F103-P143 HydrophobicContact CE2-CB 3.29Å; F103-P143 HydrophobicContact CE2-CG 3.45Å; F103-P143 VanDerWaalsContact CE2-CG 3.45Å; F103-P143 HydrophobicContact CZ-CB 4.39Å; F103-P143 HydrophobicContact CZ-CG 4.29Å; F103-I208 HydrophobicContact CE1-CG2 3.84Å; F103-I208 HydrophobicContact CE2-CG2 4.01Å; F103-I208 HydrophobicContact CZ-CB 3.91Å; F103-I208 HydrophobicContact CZ-CG2 3.27Å; F103-L209 HydrophobicContact CD1-CD2 4.37Å; F103-L209 HydrophobicContact CE1-CD2 3.69Å; F103-L209 HydrophobicContact CE1-CG 4.34Å; F103-L209 HydrophobicContact CZ-CD2 4.17Å; F103-L209 HydrophobicContact CZ-CG 4.48Å; F103-I292 HydrophobicContact CB-CG2 4.21Å; F103-I292 HydrophobicContact CD1-CD1 3.55Å; F103-I292 HydrophobicContact CD1-CG1 4.1Å; F103-I292 HydrophobicContact CE1-CD1 4.06Å; F103-I292 HydrophobicContact CE1-CG1 4.43Å; F103-I292 HydrophobicContact CG-CD1 4.5Å; F103-F296 HydrophobicContact CB-CE1 4.43Å; F103-F296 HydrophobicContact CB-CE2 4.42Å; F103-F296 HydrophobicContact CB-CZ 4.17Å; F103-F296 AromaticContact CD2-CE1 3.85Å; F103-F296 HydrophobicContact CD2-CE1 3.85Å; F103-F296 AromaticContact CD2-CE2 3.68Å; F103-F296 HydrophobicContact CD2-CE2 3.68Å; F103-F296 AromaticContact CD2-CZ 3.09Å; F103-F296 HydrophobicContact CD2-CZ 3.09Å; F103-F296 AromaticContact CE2-CE2 3.94Å; F103-F296 HydrophobicContact CE2-CE2 3.94Å; F103-F296 AromaticContact CE2-CZ 3.49Å; F103-F296 HydrophobicContact CE2-CZ 3.49Å; F103-F296 VanDerWaalsContact CE2-CZ 3.49Å; F103-F296 HydrophobicContact CG-CE1 4.46Å; F103-F296 AromaticContact CG-CE2 3.99Å; F103-F296 HydrophobicContact CG-CE2 3.99Å; F103-F296 AromaticContact CG-CZ 3.77Å; F103-F296 HydrophobicContact CG-CZ 3.77Å
104D85.9Confident88.3Confident55 Ų5538.7 Ų38.729%0.29422%0.221SC..Hα-helixtrans-59.8-41.9174.4-69.5-21.9000109.7E101 I106 L107 D108E101-D104 PolarHBondContact O-N 2.79Å; D104-I106 VanDerWaalsContact C-N 3.3Å; D104-I106 PolarHBondContact O-N 2.72Å; D104-L107 WeakPolarHBondContact O-CB 3.29Å; D104-L107 PolarHBondContact O-N 2.83Å; D104-L107 VanDerWaalsContact O-N 3.08Å; D104-D108 PolarHBondContact O-N 3.04Å
105R86.1Confident88.6Confident24 Ų2441.7 Ų41.79%0.09123%0.233CC..Hα-helixtrans-65.5-28.3175.5-72.5-69.1-64.5-92.54.1114.5G99 E101 F103 R109 Y148 S150 Q151 D152G99-R105 WeakPolarHBondContact O-CD 3.43Å; G99-R105 PolarHBondContact O-NH1 3.15Å; E101-R105 WeakPolarHBondContact O-CG 3.45Å; E101-R105 PolarHBondContact O-N 2.9Å; F103-R105 PolarHBondContact O-N 2.77Å; R105-R109 WeakPolarHBondContact O-CG 3.41Å; R105-Y148 HydrophobicContact CB-CD2 3.76Å; R105-Y148 HydrophobicContact CB-CE2 3.53Å; R105-Y148 HydrophobicContact CG-CD2 3.52Å; R105-Y148 HydrophobicContact CG-CE2 3.86Å; R105-Y148 HydrophobicContact CG-CG 4.29Å; R105-S150 PolarHBondContact NH1-O 3.4Å; R105-Q151 PolarHBondContact NH2-O 3.14Å; R105-D152 PolarHBondContact NH2-O 2.94Å
106I87Confident88.8Confident0 Ų041 Ų410%023%0.231CC..Hα-helixtrans-68.6-45.2171.8-69.6167.8000109.3L102 F103 D104 D108 R109 Y112 L209 Y285 I292L102-I106 HydrophobicContact CD1-CD1 4.35Å; L102-I106 WeakPolarHBondContact O-CG1 3.26Å; L102-I106 PolarHBondContact O-N 3.47Å; F103-I106 HydrophobicContact CD1-CD1 3.92Å; F103-I106 HydrophobicContact CE1-CD1 4.3Å; F103-I106 WeakPolarHBondContact O-CB 3.47Å; F103-I106 PolarHBondContact O-N 3.16Å; F103-I106 VanDerWaalsContact O-N 3.1Å; D104-I106 VanDerWaalsContact C-N 3.3Å; D104-I106 PolarHBondContact O-N 2.72Å; I106-D108 VanDerWaalsContact C-N 3.28Å; I106-D108 PolarHBondContact O-N 2.77Å; I106-R109 PolarHBondContact O-N 2.82Å; I106-Y112 HydrophobicContact CD1-CE2 3.76Å; I106-Y112 HydrophobicContact CG1-CD2 4.06Å; I106-Y112 HydrophobicContact CG1-CE2 3.72Å; I106-Y112 HydrophobicContact CG2-CD1 4.19Å; I106-Y112 HydrophobicContact CG2-CD2 4.04Å; I106-Y112 HydrophobicContact CG2-CE1 4.46Å; I106-Y112 HydrophobicContact CG2-CE2 4.31Å; I106-Y112 HydrophobicContact CG2-CG 3.97Å; I106-L209 HydrophobicContact CD1-CD2 3.45Å; I106-L209 VanDerWaalsContact CD1-CD2 3.45Å; I106-Y285 VanDerWaalsContact O-CE2 3.25Å; I106-Y285 WeakPolarHBondContact O-CE2 3.44Å; I106-I292 HydrophobicContact CG2-CD1 4.09Å
107L87.8Confident89.1Confident37 Ų3739.3 Ų39.319%0.19422%0.222CC..Hα-helixtrans-63.9-30.1179.3-64.8179.1000113.4F103 D104 Y285 I292 Q293F103-L107 WeakPolarHBondContact O-CG 3.44Å; F103-L107 PolarHBondContact O-N 3.04Å; D104-L107 WeakPolarHBondContact O-CB 3.29Å; D104-L107 PolarHBondContact O-N 2.83Å; D104-L107 VanDerWaalsContact O-N 3.08Å; L107-Y285 PolarHBondContact O-OH 3.49Å; L107-I292 HydrophobicContact CD1-CG2 3.89Å; L107-I292 HydrophobicContact CD2-CB 4.15Å; L107-I292 HydrophobicContact CD2-CG2 3.99Å; L107-I292 HydrophobicContact CG-CG2 4.04Å; L107-Q293 HydrophobicContact CD1-CG 4.05Å; L107-Q293 HydrophobicContact CD2-CG 3.88Å
108D86.1Confident89.6Confident129 Ų12938.6 Ų38.669%0.6922%0.218SC*.Hα-helixtrans-79.4-22.1-178.8-67.9-22.6000113.9D104 I106D104-D108 PolarHBondContact O-N 3.04Å; I106-D108 VanDerWaalsContact C-N 3.28Å; I106-D108 PolarHBondContact O-N 2.77Å
109R81.4Confident90.1Very high81 Ų8141.6 Ų41.631%0.30622%0.216SC..Hα-helixtrans-75.4-29.6-170.9-89-178.5150.9155.30.4115.3R105 I106 M111 E153R105-R109 WeakPolarHBondContact O-CG 3.41Å; I106-R109 PolarHBondContact O-N 2.82Å; R109-M111 PolarHBondContact O-N 3.34Å; R109-M111 VanDerWaalsContact O-N 3.07Å; R109-E153 PolarHBondContact NH2-O 3.44Å
110G84.3Confident90.7Very high38 Ų3841.9 Ų41.939%0.39222%0.217SC..SBendtrans73.3-12.7-176.200000116.1Y285G110-Y285 WeakPolarHBondContact O-CD1 3.34Å
111M91.1Very high91.3Very high135 Ų13540 Ų4067%0.66520%0.198SC*.  trans-140.1143173.1-69.7-177.962.500109.9R109R109-M111 PolarHBondContact O-N 3.34Å; R109-M111 VanDerWaalsContact O-N 3.07Å
112Y95.3Very high91.9Very high5 Ų540 Ų402%0.0220%0.198CC..  trans-163.2132.3-175.8-177.3-106.8000111.6I106 D116 A117 L209 D283 I284 Y285 V288I106-Y112 HydrophobicContact CD1-CE2 3.76Å; I106-Y112 HydrophobicContact CG1-CD2 4.06Å; I106-Y112 HydrophobicContact CG1-CE2 3.72Å; I106-Y112 HydrophobicContact CG2-CD1 4.19Å; I106-Y112 HydrophobicContact CG2-CD2 4.04Å; I106-Y112 HydrophobicContact CG2-CE1 4.46Å; I106-Y112 HydrophobicContact CG2-CE2 4.31Å; I106-Y112 HydrophobicContact CG2-CG 3.97Å; Y112-D116 HydrophobicContact CD2-CB 3.93Å; Y112-D116 HydrophobicContact CE2-CB 3.88Å; Y112-A117 VanDerWaalsContact OH-CB 3.28Å; Y112-A117 WeakPolarHBondContact OH-CB 3.5Å; Y112-L209 WeakPolarHBondContact CE1-O 3.41Å; Y112-L209 PolarHBondContact OH-O 3Å; Y112-D283 PolarHBondContact N-OD1 3.3Å; Y112-D283 VanDerWaalsContact O-OD1 3.05Å; Y112-I284 HydrophobicContact CD1-CD1 4.24Å; Y112-I284 HydrophobicContact CD1-CG1 3.97Å; Y112-I284 HydrophobicContact CE1-CD1 4.23Å; Y112-I284 HydrophobicContact CE1-CG1 4.47Å; Y112-I284 VanDerWaalsContact O-CG1 3.28Å; Y112-I284 WeakPolarHBondContact O-CG1 3.2Å; Y112-I284 PolarHBondContact O-N 2.96Å; Y112-Y285 PolarHBondContact O-N 2.84Å; Y112-V288 HydrophobicContact CD1-CG1 4.38Å; Y112-V288 HydrophobicContact CE1-CG1 4.3Å
113S96.9Very high92.4Very high11 Ų1141.9 Ų41.98%0.07721%0.207CC..BIsolated β-bridgetrans-127.4167.4-176.1690000113.1K115 D116 A117 Q282S113-K115 PolarHBondContact O-N 3.47Å; S113-K115 PolarHBondContact OG-N 3.38Å; S113-D116 PolarHBondContact N-OD2 2.97Å; S113-D116 PolarHBondContact O-N 3.4Å; S113-D116 VanDerWaalsContact O-N 3.08Å; S113-D116 PolarHBondContact OG-N 3.48Å; S113-D116 PolarHBondContact OG-OD2 2.85Å; S113-A117 PolarHBondContact O-N 3.35Å; S113-Q282 WeakPolarHBondContact CB-O 3.35Å
114E98Very high93Very high1 Ų141.8 Ų41.81%0.00521%0.207CC..Hα-helixtrans-56.9-33.3169.8-70.5-177-141.200112.1D116 A117 S118 L210 I243 S244 W273 A279 R280 I284E114-D116 VanDerWaalsContact C-N 3.27Å; E114-D116 PolarHBondContact O-N 2.82Å; E114-A117 WeakPolarHBondContact O-CB 3.43Å; E114-A117 PolarHBondContact O-N 2.84Å; E114-S118 WeakPolarHBondContact O-CB 3.28Å; E114-S118 PolarHBondContact O-N 2.88Å; E114-L210 HydrophobicContact CB-CD2 4.33Å; E114-L210 HydrophobicContact CG-CD2 3.93Å; E114-I243 HydrophobicContact CG-CD1 4.3Å; E114-I243 WeakPolarHBondContact OE1-CA 3.34Å; E114-S244 WeakPolarHBondContact OE1-CB 3.43Å; E114-S244 PolarHBondContact OE1-N 3Å; E114-S244 WeakPolarHBondContact OE2-CB 3.43Å; E114-S244 PolarHBondContact OE2-OG 3.4Å; E114-W273 PolarHBondContact OE2-NE1 2.82Å; E114-W273 VanDerWaalsContact OE2-NE1 3.07Å; E114-A279 HydrophobicContact CB-CB 4.34Å; E114-R280 WeakPolarHBondContact CB-O 3.36Å; E114-R280 HydrophobicContact CG-CB 4.49Å; E114-R280 PolarHBondContact N-O 3.32Å; E114-R280 PolarHBondContact OE2-N 3.32Å; E114-I284 HydrophobicContact CG-CD1 4.49Å
115K97.1Very high93.6Very high80 Ų8039.2 Ų39.235%0.34819%0.193SC..Hα-helixtrans-64.1-34.6178.4-166.6170.7-174.2170.50111.8S113 R119 R280S113-K115 PolarHBondContact O-N 3.47Å; S113-K115 PolarHBondContact OG-N 3.38Å; K115-R119 WeakPolarHBondContact O-CD 3.47Å; K115-R119 VanDerWaalsContact O-CG 3.23Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å; K115-R119 PolarHBondContact O-N 3.26Å; K115-R119 VanDerWaalsContact O-N 3.09Å; K115-R280 PolarHBondContact N-O 3.24Å; K115-R280 VanDerWaalsContact N-O 3.14Å
116D95.7Very high94.1Very high37 Ų3741.4 Ų41.420%0.19820%0.204CC..Hα-helixtrans-71.1-43.2175.4-56.2-49.8000111Y112 S113 E114 S118 R119 V120Y112-D116 HydrophobicContact CD2-CB 3.93Å; Y112-D116 HydrophobicContact CE2-CB 3.88Å; S113-D116 PolarHBondContact N-OD2 2.97Å; S113-D116 PolarHBondContact O-N 3.4Å; S113-D116 VanDerWaalsContact O-N 3.08Å; S113-D116 PolarHBondContact OG-N 3.48Å; S113-D116 PolarHBondContact OG-OD2 2.85Å; E114-D116 VanDerWaalsContact C-N 3.27Å; E114-D116 PolarHBondContact O-N 2.82Å; D116-S118 PolarHBondContact O-N 3.46Å; D116-R119 PolarHBondContact O-N 3.04Å; D116-R119 IonicContact OD1-NH1 3.24Å; D116-R119 PolarHBondContact OD1-NH1 3.46Å; D116-R119 VanDerWaalsContact OD1-NH1 3.16Å; D116-V120 PolarHBondContact O-N 3.27Å; D116-V120 VanDerWaalsContact O-N 3.17Å
117A97.1Very high94.5Very high0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-57.7-48.2172.700000111.7Y112 S113 E114 R119 V120 I121 L209 L210 W273Y112-A117 VanDerWaalsContact OH-CB 3.28Å; Y112-A117 WeakPolarHBondContact OH-CB 3.5Å; S113-A117 PolarHBondContact O-N 3.35Å; E114-A117 WeakPolarHBondContact O-CB 3.43Å; E114-A117 PolarHBondContact O-N 2.84Å; A117-R119 PolarHBondContact O-N 3.27Å; A117-V120 PolarHBondContact O-N 2.69Å; A117-I121 WeakPolarHBondContact O-CG1 3.21Å; A117-I121 PolarHBondContact O-N 3.48Å; A117-L209 HydrophobicContact CB-CB 4.26Å; A117-L210 HydrophobicContact CB-CD2 3.66Å; A117-W273 HydrophobicContact CB-CH2 4.23Å; A117-W273 HydrophobicContact CB-CZ2 4.31Å
118S98.4Very high94.9Very high7 Ų739.6 Ų39.65%0.04920%0.195CC..Hα-helixtrans-59.3-42.8179.41740000112E114 D116 V120 I121 Q122 W273E114-S118 WeakPolarHBondContact O-CB 3.28Å; E114-S118 PolarHBondContact O-N 2.88Å; D116-S118 PolarHBondContact O-N 3.46Å; S118-V120 PolarHBondContact O-N 2.92Å; S118-I121 PolarHBondContact O-N 3.04Å; S118-Q122 WeakPolarHBondContact O-CB 3.49Å; S118-Q122 PolarHBondContact O-N 3.36Å; S118-W273 PolarHBondContact OG-O 3.42Å
119R96.4Very high95.3Very high127 Ų12735.6 Ų35.648%0.47917%0.171SC..Hα-helixtrans-62.1-38.6175.5-74.4164.4174.6167.4-8113.2K115 D116 A117 Q123K115-R119 WeakPolarHBondContact O-CD 3.47Å; K115-R119 VanDerWaalsContact O-CG 3.23Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å; K115-R119 PolarHBondContact O-N 3.26Å; K115-R119 VanDerWaalsContact O-N 3.09Å; D116-R119 PolarHBondContact O-N 3.04Å; D116-R119 IonicContact OD1-NH1 3.24Å; D116-R119 PolarHBondContact OD1-NH1 3.46Å; D116-R119 VanDerWaalsContact OD1-NH1 3.16Å; A117-R119 PolarHBondContact O-N 3.27Å; R119-Q123 PolarHBondContact O-N 2.94Å; R119-Q123 PolarHBondContact O-NE2 3.17Å; R119-Q123 VanDerWaalsContact O-NE2 3.15Å
120V96.4Very high95.9Very high8 Ų834 Ų345%0.04817%0.166CC..Hα-helixtrans-67-49.6175172.40000109.8L102 D116 A117 S118 Q122 Q123 V124 I157 L209L102-V120 HydrophobicContact CD1-CG1 3.83Å; L102-V120 HydrophobicContact CD1-CG2 4.16Å; L102-V120 HydrophobicContact CD2-CG1 4.07Å; D116-V120 PolarHBondContact O-N 3.27Å; D116-V120 VanDerWaalsContact O-N 3.17Å; A117-V120 PolarHBondContact O-N 2.69Å; S118-V120 PolarHBondContact O-N 2.92Å; V120-Q122 VanDerWaalsContact C-N 3.29Å; V120-Q122 PolarHBondContact O-N 2.85Å; V120-Q123 PolarHBondContact O-N 3.24Å; V120-Q123 VanDerWaalsContact O-N 3.16Å; V120-V124 HydrophobicContact CG1-CG2 4.45Å; V120-V124 WeakPolarHBondContact O-CG2 3.42Å; V120-V124 PolarHBondContact O-N 3.24Å; V120-I157 HydrophobicContact CG1-CG1 4.29Å; V120-I157 HydrophobicContact CG1-CG2 4.46Å; V120-L209 HydrophobicContact CG1-CD1 4.44Å
121I98.3Very high96.2Very high0 Ų032.2 Ų32.20%015%0.147CC..Hα-helixtrans-62.6-35.7-179.6-67-57.8000111.9A117 S118 Q123 V124 L125 I202 I205 T206 L209 F250 W273 I274A117-I121 WeakPolarHBondContact O-CG1 3.21Å; A117-I121 PolarHBondContact O-N 3.48Å; S118-I121 PolarHBondContact O-N 3.04Å; I121-Q123 PolarHBondContact O-N 3.49Å; I121-V124 PolarHBondContact O-N 3.18Å; I121-L125 HydrophobicContact CG2-CD1 3.88Å; I121-L125 HydrophobicContact CG2-CG 4.13Å; I121-L125 WeakPolarHBondContact O-CB 3.23Å; I121-L125 VanDerWaalsContact O-CG 3.26Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.38Å; I121-I202 HydrophobicContact CD1-CG2 4.33Å; I121-I202 HydrophobicContact CG2-CG2 4.12Å; I121-I205 HydrophobicContact CD1-CG2 4.2Å; I121-T206 VanDerWaalsContact CD1-OG1 3.26Å; I121-T206 WeakPolarHBondContact CD1-OG1 3.45Å; I121-T206 HydrophobicContact CG1-CG2 4.22Å; I121-T206 WeakPolarHBondContact CG1-OG1 3.47Å; I121-L209 HydrophobicContact CD1-CD1 3.66Å; I121-L209 HydrophobicContact CG1-CD1 3.92Å; I121-F250 HydrophobicContact CG2-CE1 3.99Å; I121-F250 HydrophobicContact CG2-CZ 3.88Å; I121-W273 HydrophobicContact CB-CZ3 4.33Å; I121-W273 HydrophobicContact CG1-CZ3 4.46Å; I121-W273 HydrophobicContact CG2-CZ3 4.35Å; I121-I274 HydrophobicContact CB-CD1 4.23Å; I121-I274 HydrophobicContact CG2-CD1 3.77Å
122Q98.3Very high96.2Very high63 Ų6326.5 Ų26.529%0.29412%0.119SC..Hα-helixtrans-58-47.5174.1-174.1179.244.400111.8S118 V120 L125 Q126 L269 I274S118-Q122 WeakPolarHBondContact O-CB 3.49Å; S118-Q122 PolarHBondContact O-N 3.36Å; V120-Q122 VanDerWaalsContact C-N 3.29Å; V120-Q122 PolarHBondContact O-N 2.85Å; Q122-L125 PolarHBondContact O-N 3.23Å; Q122-Q126 VanDerWaalsContact O-CG 3.29Å; Q122-Q126 WeakPolarHBondContact O-CG 3.41Å; Q122-Q126 PolarHBondContact O-N 3.47Å; Q122-L269 HydrophobicContact CG-CD2 4.25Å; Q122-I274 HydrophobicContact CB-CG2 3.96Å; Q122-I274 HydrophobicContact CG-CG2 3.87Å
123Q97.6Very high96Very high39 Ų3932.9 Ų32.918%0.18215%0.149CC..Hα-helixtrans-65.5-40.1177.9-72.9171.674.600112.1N76 R119 V120 I121 Q126 A127 I157N76-Q123 PolarHBondContact ND2-OE1 3.29Å; R119-Q123 PolarHBondContact O-N 2.94Å; R119-Q123 PolarHBondContact O-NE2 3.17Å; R119-Q123 VanDerWaalsContact O-NE2 3.15Å; V120-Q123 PolarHBondContact O-N 3.24Å; V120-Q123 VanDerWaalsContact O-N 3.16Å; I121-Q123 PolarHBondContact O-N 3.49Å; Q123-Q126 PolarHBondContact O-N 3.5Å; Q123-A127 WeakPolarHBondContact O-CB 3.43Å; Q123-A127 PolarHBondContact O-N 3.38Å; Q123-I157 HydrophobicContact CB-CG2 3.44Å; Q123-I157 VanDerWaalsContact CB-CG2 3.44Å; Q123-I157 HydrophobicContact CG-CG2 4.32Å
124V97.6Very high95.5Very high1 Ų135.9 Ų35.91%0.00616%0.164CC..Hα-helixtrans-62.1-45.1174.7175.10000110.6V120 I121 Q126 A127 V128 L146 I157 I159 I202V120-V124 HydrophobicContact CG1-CG2 4.45Å; V120-V124 WeakPolarHBondContact O-CG2 3.42Å; V120-V124 PolarHBondContact O-N 3.24Å; I121-V124 PolarHBondContact O-N 3.18Å; V124-Q126 PolarHBondContact O-N 3.07Å; V124-A127 PolarHBondContact O-N 2.69Å; V124-V128 HydrophobicContact CG1-CG2 4.34Å; V124-V128 WeakPolarHBondContact O-CB 3.48Å; V124-V128 VanDerWaalsContact O-CG2 3.28Å; V124-V128 WeakPolarHBondContact O-CG2 3.44Å; V124-V128 PolarHBondContact O-N 3.49Å; V124-L146 HydrophobicContact CG2-CD1 3.99Å; V124-L146 HydrophobicContact CG2-CD2 3.92Å; V124-I157 HydrophobicContact CG2-CG2 4.16Å; V124-I159 HydrophobicContact CG1-CD1 4.19Å; V124-I202 HydrophobicContact CG1-CD1 4.14Å; V124-I202 HydrophobicContact CG1-CG1 3.96Å
125L98.2Very high94.7Very high0 Ų036.8 Ų36.80%017%0.174CC..Hα-helixtrans-61.9-42177.1-76.9170000112.3I121 Q122 V128 Q129 I202 F250 M254 T265 A268 L269 I274I121-L125 HydrophobicContact CG2-CD1 3.88Å; I121-L125 HydrophobicContact CG2-CG 4.13Å; I121-L125 WeakPolarHBondContact O-CB 3.23Å; I121-L125 VanDerWaalsContact O-CG 3.26Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.38Å; Q122-L125 PolarHBondContact O-N 3.23Å; L125-V128 PolarHBondContact O-N 2.96Å; L125-Q129 WeakPolarHBondContact O-CB 3.44Å; L125-Q129 PolarHBondContact O-N 3.21Å; L125-I202 HydrophobicContact CD2-CD1 3.94Å; L125-I202 HydrophobicContact CD2-CG2 4.22Å; L125-I202 HydrophobicContact CG-CG2 4.48Å; L125-F250 HydrophobicContact CD1-CE2 4.4Å; L125-F250 HydrophobicContact CD1-CZ 4.08Å; L125-M254 HydrophobicContact CD2-CE 3.92Å; L125-T265 HydrophobicContact CD2-CG2 4.2Å; L125-A268 HydrophobicContact CD1-CB 3.87Å; L125-A268 HydrophobicContact CD2-CB 3.67Å; L125-A268 HydrophobicContact CG-CB 4.45Å; L125-L269 HydrophobicContact CB-CD1 4.46Å; L125-L269 HydrophobicContact CB-CD2 3.6Å; L125-L269 HydrophobicContact CB-CG 3.85Å; L125-L269 HydrophobicContact CD1-CD2 4.15Å; L125-L269 HydrophobicContact CD1-CG 4.32Å; L125-I274 HydrophobicContact CD1-CD1 4.15Å; L125-I274 HydrophobicContact CD1-CG1 4.16Å
126Q97.6Very high94Very high70 Ų7033.1 Ų33.133%0.32716%0.158SC..Hα-helixtrans-61.6-46.9176.1-74.1166.4-17.900111.3Q122 Q123 V124 Q129 Y130 L269Q122-Q126 VanDerWaalsContact O-CG 3.29Å; Q122-Q126 WeakPolarHBondContact O-CG 3.41Å; Q122-Q126 PolarHBondContact O-N 3.47Å; Q123-Q126 PolarHBondContact O-N 3.5Å; V124-Q126 PolarHBondContact O-N 3.07Å; Q126-Q129 PolarHBondContact O-N 3.11Å; Q126-Y130 PolarHBondContact O-N 2.88Å; Q126-L269 HydrophobicContact CG-CD1 4.46Å; Q126-L269 HydrophobicContact CG-CD2 3.93Å
127A95.2Very high93.5Very high0 Ų031.5 Ų31.50%015%0.15CC..Hα-helixtrans-59.7-48.8176.300000112.2N76 V77 Q123 V124 Y130 L131 I159N76-A127 HydrophobicContact CB-CB 3.89Å; V77-A127 HydrophobicContact CG2-CB 3.77Å; Q123-A127 WeakPolarHBondContact O-CB 3.43Å; Q123-A127 PolarHBondContact O-N 3.38Å; V124-A127 PolarHBondContact O-N 2.69Å; A127-Y130 WeakPolarHBondContact O-CB 3.47Å; A127-Y130 PolarHBondContact O-N 3.42Å; A127-L131 WeakPolarHBondContact O-CG 3.45Å; A127-L131 PolarHBondContact O-N 3.17Å; A127-I159 HydrophobicContact CB-CD1 3.48Å; A127-I159 VanDerWaalsContact CB-CD1 3.48Å; A127-I159 HydrophobicContact CB-CG1 4.06Å
128V95Very high92.9Very high0 Ų031.7 Ų31.70%015%0.15CC..Hα-helixtrans-69.4-35.7-178.9176.70000111.2V124 L125 Y130 L131 H132 L141 I159 D198 I202 T265V124-V128 HydrophobicContact CG1-CG2 4.34Å; V124-V128 WeakPolarHBondContact O-CB 3.48Å; V124-V128 VanDerWaalsContact O-CG2 3.28Å; V124-V128 WeakPolarHBondContact O-CG2 3.44Å; V124-V128 PolarHBondContact O-N 3.49Å; L125-V128 PolarHBondContact O-N 2.96Å; V128-Y130 VanDerWaalsContact C-N 3.33Å; V128-Y130 PolarHBondContact O-N 3.08Å; V128-L131 PolarHBondContact O-N 3.48Å; V128-H132 VanDerWaalsContact CG1-CE1 3.43Å; V128-H132 WeakPolarHBondContact CG1-CE1 3.42Å; V128-H132 VanDerWaalsContact CG1-NE2 3.31Å; V128-H132 WeakPolarHBondContact CG1-NE2 3.11Å; V128-H132 WeakPolarHBondContact O-CB 3.35Å; V128-H132 PolarHBondContact O-CD2 3.39Å; V128-H132 VanDerWaalsContact O-CD2 3.31Å; V128-H132 PolarHBondContact O-N 3.16Å; V128-L141 HydrophobicContact CG2-CD1 3.78Å; V128-I159 HydrophobicContact CG2-CD1 3.58Å; V128-D198 HydrophobicContact CG1-CB 3.87Å; V128-I202 HydrophobicContact CB-CD1 4.21Å; V128-I202 HydrophobicContact CG1-CD1 4.26Å; V128-I202 HydrophobicContact CG2-CD1 4.07Å; V128-T265 HydrophobicContact CB-CG2 4.16Å; V128-T265 HydrophobicContact CG1-CG2 3.8Å
129Q95.8Very high92Very high44 Ų4432.5 Ų32.521%0.20615%0.152CC..Hα-helixtrans-58.4-46.8171.6-177.5-179.959.800111.2L125 Q126 L131 H132 Q133 L269L125-Q129 WeakPolarHBondContact O-CB 3.44Å; L125-Q129 PolarHBondContact O-N 3.21Å; Q126-Q129 PolarHBondContact O-N 3.11Å; Q129-L131 VanDerWaalsContact C-N 3.34Å; Q129-L131 PolarHBondContact O-N 3.36Å; Q129-H132 PolarHBondContact O-N 3.44Å; Q129-Q133 HydrophobicContact CG-CG 4.48Å; Q129-Q133 VanDerWaalsContact O-CG 3.32Å; Q129-Q133 WeakPolarHBondContact O-CG 3.06Å; Q129-Q133 PolarHBondContact O-N 3.32Å; Q129-L269 HydrophobicContact CB-CD1 4.38Å
130Y93.9Very high91.1Very high49 Ų4928 Ų2819%0.19214%0.138CC..Hα-helixtrans-58.9-45.4176.4173.5-92.4000111.6I72 K73 H74 Q126 A127 V128 H132 Q133 N134I72-Y130 HydrophobicContact CB-CE1 4.34Å; I72-Y130 HydrophobicContact CG2-CD1 4.45Å; I72-Y130 HydrophobicContact CG2-CE1 3.78Å; K73-Y130 PolarHBondContact N-OH 3.09Å; K73-Y130 PolarHBondContact O-OH 2.93Å; H74-Y130 HydrophobicContact CB-CD1 3.72Å; H74-Y130 HydrophobicContact CB-CE1 3.97Å; H74-Y130 HydrophobicContact CB-CG 4.03Å; H74-Y130 AromaticContact CD2-CG 3.71Å; Q126-Y130 PolarHBondContact O-N 2.88Å; A127-Y130 WeakPolarHBondContact O-CB 3.47Å; A127-Y130 PolarHBondContact O-N 3.42Å; V128-Y130 VanDerWaalsContact C-N 3.33Å; V128-Y130 PolarHBondContact O-N 3.08Å; Y130-H132 PolarHBondContact O-N 3.04Å; Y130-Q133 PolarHBondContact O-N 3.34Å; Y130-N134 PolarHBondContact O-N 2.93Å; Y130-N134 PolarHBondContact O-ND2 3.04Å
131L90.2Very high90.7Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-59.1-47.3175.5-66.7176.9000111.5I72 V77 A127 V128 Q129 Q133 N134 G135 I136I72-L131 HydrophobicContact CD1-CD2 3.83Å; I72-L131 HydrophobicContact CG1-CD2 4.42Å; I72-L131 HydrophobicContact CG2-CD2 4.19Å; V77-L131 HydrophobicContact CG1-CD2 4.47Å; V77-L131 HydrophobicContact CG2-CG 4.47Å; A127-L131 WeakPolarHBondContact O-CG 3.45Å; A127-L131 PolarHBondContact O-N 3.17Å; V128-L131 PolarHBondContact O-N 3.48Å; Q129-L131 VanDerWaalsContact C-N 3.34Å; Q129-L131 PolarHBondContact O-N 3.36Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.29Å; L131-N134 CarbonylContact O-C 3.58Å; L131-N134 WeakPolarHBondContact O-CA 3.26Å; L131-N134 PolarHBondContact O-N 3.43Å; L131-G135 PolarHBondContact O-N 2.95Å; L131-I136 CarbonylContact C-O 3.58Å; L131-I136 HydrophobicContact CB-CB 4.17Å; L131-I136 HydrophobicContact CD2-CB 4.42Å; L131-I136 HydrophobicContact CD2-CD1 4.14Å; L131-I136 HydrophobicContact CD2-CG2 4.34Å; L131-I136 WeakPolarHBondContact O-CB 3.47Å; L131-I136 PolarHBondContact O-N 2.81Å
132H91.1Very high90.1Very high14 Ų1429.2 Ų29.27%0.06514%0.142CC..Hα-helixtrans-61.8-37.9-179.7-75.3-173.2000112.8V128 Q129 Y130 N134 G135 I136 K195 D198V128-H132 VanDerWaalsContact CG1-CE1 3.43Å; V128-H132 WeakPolarHBondContact CG1-CE1 3.42Å; V128-H132 VanDerWaalsContact CG1-NE2 3.31Å; V128-H132 WeakPolarHBondContact CG1-NE2 3.11Å; V128-H132 WeakPolarHBondContact O-CB 3.35Å; V128-H132 PolarHBondContact O-CD2 3.39Å; V128-H132 VanDerWaalsContact O-CD2 3.31Å; V128-H132 PolarHBondContact O-N 3.16Å; Q129-H132 PolarHBondContact O-N 3.44Å; Y130-H132 PolarHBondContact O-N 3.04Å; H132-N134 VanDerWaalsContact C-N 3.27Å; H132-N134 PolarHBondContact O-N 3.19Å; H132-G135 PolarHBondContact O-N 2.79Å; H132-I136 PolarHBondContact CD2-O 2.67Å; H132-K195 HydrophobicContact CB-CD 3.87Å; H132-K195 HydrophobicContact CB-CG 4.2Å; H132-K195 PolarHBondContact CE1-O 2.8Å; H132-K195 WeakPolarHBondContact O-CE 3.37Å; H132-K195 PolarHBondContact O-NZ 3.42Å; H132-D198 IonicContact CD2-OD2 3.4Å; H132-D198 IonicContact CE1-OD2 3.63Å; H132-D198 IonicContact NE2-OD2 2.68Å; H132-D198 PolarHBondContact NE2-OD2 3.28Å
133Q90.7Very high89.5Confident139 Ų13926.3 Ų26.365%0.6513%0.129SC*.Hα-helixtrans-67.6-28175-73.6171.5-8.200112.5Q129 Y130 L131 G135Q129-Q133 HydrophobicContact CG-CG 4.48Å; Q129-Q133 VanDerWaalsContact O-CG 3.32Å; Q129-Q133 WeakPolarHBondContact O-CG 3.06Å; Q129-Q133 PolarHBondContact O-N 3.32Å; Y130-Q133 PolarHBondContact O-N 3.34Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.29Å; Q133-G135 VanDerWaalsContact C-N 3.32Å
134N86.1Confident88.7Confident75 Ų7526.7 Ų26.740%0.40113%0.131SC..THydrogen-bonded Turntrans-90.711174.9-72.4-83.4000113.4Y130 L131 H132 I136Y130-N134 PolarHBondContact O-N 2.93Å; Y130-N134 PolarHBondContact O-ND2 3.04Å; L131-N134 CarbonylContact O-C 3.58Å; L131-N134 WeakPolarHBondContact O-CA 3.26Å; L131-N134 PolarHBondContact O-N 3.43Å; H132-N134 VanDerWaalsContact C-N 3.27Å; H132-N134 PolarHBondContact O-N 3.19Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 HydrophobicContact CB-CD1 4.27Å; N134-I136 HydrophobicContact CB-CG1 4.38Å; N134-I136 PolarHBondContact O-N 3.49Å
135G82Confident88.2Confident20 Ų2027 Ų2721%0.20613%0.133CC..THydrogen-bonded Turntrans76.717.117700000114.7L131 H132 Q133 E168L131-G135 PolarHBondContact O-N 2.95Å; H132-G135 PolarHBondContact O-N 2.79Å; Q133-G135 VanDerWaalsContact C-N 3.32Å; G135-E168 PolarHBondContact O-N 3.21Å; G135-E168 VanDerWaalsContact O-N 3.17Å
136I82.3Confident87.8Confident2 Ų227 Ų271%0.0113%0.133CC..BIsolated β-bridgetrans-105.5134.4-176.5-51.1174.5000109.2V68 I72 L131 H132 N134V68-I136 HydrophobicContact CG1-CD1 3.33Å; V68-I136 HydrophobicContact CG1-CG1 3.7Å; I72-I136 HydrophobicContact CD1-CD1 3.36Å; I72-I136 HydrophobicContact CG1-CD1 3.64Å; L131-I136 CarbonylContact C-O 3.58Å; L131-I136 HydrophobicContact CB-CB 4.17Å; L131-I136 HydrophobicContact CD2-CB 4.42Å; L131-I136 HydrophobicContact CD2-CD1 4.14Å; L131-I136 HydrophobicContact CD2-CG2 4.34Å; L131-I136 WeakPolarHBondContact O-CB 3.47Å; L131-I136 PolarHBondContact O-N 2.81Å; H132-I136 PolarHBondContact CD2-O 2.67Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 HydrophobicContact CB-CD1 4.27Å; N134-I136 HydrophobicContact CB-CG1 4.38Å; N134-I136 PolarHBondContact O-N 3.49Å
137V84.6Confident87.5Confident4 Ų425.5 Ų25.52%0.02413%0.127CC..  trans-116.9128.3173-173.80000108R139 S165 K195 V197 D198V137-R139 HydrophobicContact CB-CG 4.21Å; V137-R139 HydrophobicContact CG1-CG 3.78Å; V137-S165 WeakPolarHBondContact O-CA 3.35Å; V137-S165 VanDerWaalsContact O-CB 3.26Å; V137-S165 WeakPolarHBondContact O-CB 3.48Å; V137-K195 HydrophobicContact CG2-CG 3.85Å; V137-V197 HydrophobicContact CG1-CG2 3.96Å; V137-D198 WeakPolarHBondContact CG1-OD2 3.3Å
138H85.4Confident87.3Confident3 Ų325.9 Ų25.91%0.01413%0.128CC..  trans-72.1-45.6-173-173.1-71.9000112.7D140 L141 I159 S160 D198H138-D140 PolarHBondContact CE1-O 2.91Å; H138-D140 VanDerWaalsContact ND1-C 3.31Å; H138-D140 PolarHBondContact ND1-N 2.61Å; H138-D140 PolarHBondContact O-N 2.82Å; H138-L141 HydrophobicContact CB-CD1 4.38Å; H138-L141 HydrophobicContact CB-CD2 4.23Å; H138-L141 HydrophobicContact CB-CG 3.9Å; H138-L141 PolarHBondContact ND1-N 3.28Å; H138-I159 WeakPolarHBondContact NE2-CG2 3.46Å; H138-S160 PolarHBondContact NE2-O 3.16Å; H138-D198 PolarHBondContact N-OD1 2.87Å; H138-D198 PolarHBondContact N-OD2 2.7Å
139R79.6Confident87.1Confident24 Ų2430.6 Ų30.69%0.09115%0.147CC..  trans70.4-26.2173.7-52.4174.4-171.7-143.5-1117.6V137 K166 M173 Y193 D198V137-R139 HydrophobicContact CB-CG 4.21Å; V137-R139 HydrophobicContact CG1-CG 3.78Å; R139-K166 VanDerWaalsContact CZ-CB 3.43Å; R139-K166 PolarHBondContact NH2-O 3.02Å; R139-M173 PolarHBondContact NH1-SD 3.05Å; R139-M173 VanDerWaalsContact NH1-SD 3.41Å; R139-M173 VanDerWaalsContact NH2-CG 3.33Å; R139-M173 PolarHBondContact NH2-SD 3.09Å; R139-Y193 HydrophobicContact CG-CE2 4.26Å; R139-Y193 PolarHBondContact NH1-OH 2.86Å; R139-D198 PolarHBondContact N-OD1 3.4Å
140D78.3Confident86.7Confident33 Ų3329.7 Ų29.718%0.17615%0.145CC..  trans-121.845.5175.7-164.742000111.3H138 K142 N145 G178 T179H138-D140 PolarHBondContact CE1-O 2.91Å; H138-D140 VanDerWaalsContact ND1-C 3.31Å; H138-D140 PolarHBondContact ND1-N 2.61Å; H138-D140 PolarHBondContact O-N 2.82Å; D140-K142 PolarHBondContact O-N 3.31Å; D140-K142 IonicContact OD2-NZ 2.69Å; D140-K142 PolarHBondContact OD2-NZ 3.34Å; D140-N145 PolarHBondContact O-ND2 3.36Å; D140-G178 WeakPolarHBondContact OD1-CA 3.34Å; D140-T179 PolarHBondContact OD1-N 3.37Å
141L87.4Confident86.4Confident0 Ų035.1 Ų35.10%017%0.172CC..  trans-68.8121.7173.4-77.6175.9000109.4V128 H138 I159 D198 S201 I202 I205V128-L141 HydrophobicContact CG2-CD1 3.78Å; H138-L141 HydrophobicContact CB-CD1 4.38Å; H138-L141 HydrophobicContact CB-CD2 4.23Å; H138-L141 HydrophobicContact CB-CG 3.9Å; H138-L141 PolarHBondContact ND1-N 3.28Å; L141-I159 HydrophobicContact CD2-CD1 4.27Å; L141-I159 HydrophobicContact CD2-CG2 4.04Å; L141-D198 HydrophobicContact CD1-CB 3.75Å; L141-S201 WeakPolarHBondContact O-CB 3.28Å; L141-I202 HydrophobicContact CD1-CD1 4.24Å; L141-I202 HydrophobicContact CD1-CG1 3.89Å; L141-I205 HydrophobicContact CB-CD1 4.37Å
142K85.7Confident86.4Confident33 Ų3340.1 Ų40.114%0.14320%0.199CC..  trans-154161.6178.964.4-173.2-177.6-147.70109.2D140 E144 N145 Y182D140-K142 PolarHBondContact O-N 3.31Å; D140-K142 IonicContact OD2-NZ 2.69Å; D140-K142 PolarHBondContact OD2-NZ 3.34Å; K142-E144 WeakPolarHBondContact CB-OE2 3.1Å; K142-E144 HydrophobicContact CD-CB 4.42Å; K142-E144 WeakPolarHBondContact CD-OE2 3.23Å; K142-E144 HydrophobicContact CG-CB 4.25Å; K142-E144 WeakPolarHBondContact CG-OE2 3.48Å; K142-E144 PolarHBondContact O-N 2.94Å; K142-N145 HydrophobicContact CG-CB 4.23Å; K142-N145 WeakPolarHBondContact O-CB 3.25Å; K142-N145 PolarHBondContact O-N 2.91Å; K142-Y182 HydrophobicContact CB-CD2 4.2Å; K142-Y182 HydrophobicContact CB-CE2 4.37Å; K142-Y182 HydrophobicContact CB-CG 4.34Å
143P84.9Confident86Confident2 Ų246.5 Ų46.51%0.01323%0.229CC..G310 helixtrans-56.2-35.3-177.8-27.836.4000114.9F103 N145 L146 Y182 I205F103-P143 HydrophobicContact CD2-CB 3.63Å; F103-P143 HydrophobicContact CD2-CG 4.27Å; F103-P143 HydrophobicContact CE2-CB 3.29Å; F103-P143 HydrophobicContact CE2-CG 3.45Å; F103-P143 VanDerWaalsContact CE2-CG 3.45Å; F103-P143 HydrophobicContact CZ-CB 4.39Å; F103-P143 HydrophobicContact CZ-CG 4.29Å; P143-N145 PolarHBondContact O-N 3.24Å; P143-N145 VanDerWaalsContact O-N 3.17Å; P143-L146 PolarHBondContact O-N 3.37Å; P143-Y182 VanDerWaalsContact CD-CE1 3.42Å; P143-Y182 VanDerWaalsContact CD-CZ 3.41Å; P143-Y182 WeakPolarHBondContact CD-OH 3.46Å; P143-Y182 HydrophobicContact CG-CE1 3.93Å; P143-Y182 WeakPolarHBondContact CG-OH 3.44Å; P143-I205 HydrophobicContact CG-CG1 4.33Å
144E81.8Confident85.8Confident48 Ų4845.4 Ų45.422%0.22424%0.236CC..G310 helixtrans-63.6-20.1178.2-56.991.4149.900112.5K142K142-E144 WeakPolarHBondContact CB-OE2 3.1Å; K142-E144 HydrophobicContact CD-CB 4.42Å; K142-E144 WeakPolarHBondContact CD-OE2 3.23Å; K142-E144 HydrophobicContact CG-CB 4.25Å; K142-E144 WeakPolarHBondContact CG-OE2 3.48Å; K142-E144 PolarHBondContact O-N 2.94Å
145N86.5Confident86.1Confident8 Ų842.5 Ų42.54%0.04322%0.222CC..G310 helixtrans-94.15.1176.9-70.4-11.6000112.8D140 K142 P143 I159 S160D140-N145 PolarHBondContact O-ND2 3.36Å; K142-N145 HydrophobicContact CG-CB 4.23Å; K142-N145 WeakPolarHBondContact O-CB 3.25Å; K142-N145 PolarHBondContact O-N 2.91Å; P143-N145 PolarHBondContact O-N 3.24Å; P143-N145 VanDerWaalsContact O-N 3.17Å; N145-I159 WeakPolarHBondContact O-CA 3.28Å; N145-S160 WeakPolarHBondContact CA-OG 3.47Å; N145-S160 WeakPolarHBondContact CB-O 3.47Å; N145-S160 PolarHBondContact O-N 3.45Å; N145-S160 PolarHBondContact O-OG 3.33Å
146L90.6Very high86.7Confident0 Ų044.3 Ų44.30%022%0.224CC..EExtended strand (participates in β ladder)trans-113.1102.8177.4-58.9-175.5000109.5L102 V124 P143 I157 I159 I205L102-L146 HydrophobicContact CB-CB 4.2Å; L102-L146 WeakPolarHBondContact CB-O 3.41Å; L102-L146 HydrophobicContact CD2-CB 4.08Å; L102-L146 HydrophobicContact CD2-CD1 3.74Å; L102-L146 PolarHBondContact N-O 2.93Å; L102-L146 VanDerWaalsContact N-O 3.11Å; V124-L146 HydrophobicContact CG2-CD1 3.99Å; V124-L146 HydrophobicContact CG2-CD2 3.92Å; P143-L146 PolarHBondContact O-N 3.37Å; L146-I157 HydrophobicContact CB-CD1 4.14Å; L146-I157 HydrophobicContact CB-CG1 4.17Å; L146-I159 HydrophobicContact CD2-CG1 3.86Å; L146-I205 HydrophobicContact CD1-CD1 4.13Å; L146-I205 HydrophobicContact CD1-CG2 3.94Å
147L89.9Confident87.3Confident38 Ų3844.3 Ų44.320%0.19922%0.224CC..EExtended strand (participates in β ladder)trans-117.7140.7-174.1-56.4-179.9000110.5V97 G100 E101 M158V97-L147 HydrophobicContact CG1-CB 3.55Å; V97-L147 HydrophobicContact CG1-CD1 4.39Å; G100-L147 WeakPolarHBondContact O-CA 3.36Å; E101-L147 HydrophobicContact CB-CD2 4.35Å; E101-L147 HydrophobicContact CG-CD2 3.77Å; L147-M158 PolarHBondContact N-O 3.42Å; L147-M158 WeakPolarHBondContact O-CA 3.38Å; L147-M158 WeakPolarHBondContact O-CB 3.31Å; L147-M158 PolarHBondContact O-N 2.67Å
148Y91Very high87.7Confident7 Ų744.1 Ų44.13%0.02722%0.223CC..EExtended strand (participates in β ladder)trans-74.8137.9172-79.6-84.8000110.5V97 G99 G100 L102 R105 S150 S155 I157V97-Y148 WeakPolarHBondContact CG1-O 3.43Å; G99-Y148 WeakPolarHBondContact CA-O 3.35Å; G99-Y148 PolarHBondContact N-O 2.86Å; G100-Y148 PolarHBondContact O-N 2.84Å; L102-Y148 HydrophobicContact CD1-CE2 3.81Å; R105-Y148 HydrophobicContact CB-CD2 3.76Å; R105-Y148 HydrophobicContact CB-CE2 3.53Å; R105-Y148 HydrophobicContact CG-CD2 3.52Å; R105-Y148 HydrophobicContact CG-CE2 3.86Å; R105-Y148 HydrophobicContact CG-CG 4.29Å; Y148-S150 VanDerWaalsContact C-N 3.31Å; Y148-S150 PolarHBondContact O-N 3.26Å; Y148-S155 VanDerWaalsContact CD1-O 3.32Å; Y148-S155 WeakPolarHBondContact CD1-O 3.26Å; Y148-S155 WeakPolarHBondContact CE1-O 3.08Å; Y148-I157 HydrophobicContact CD1-CD1 4.39Å; Y148-I157 HydrophobicContact CD2-CD1 4.01Å; Y148-I157 HydrophobicContact CE1-CD1 4.42Å; Y148-I157 HydrophobicContact CE2-CD1 4.08Å; Y148-I157 HydrophobicContact CG-CD1 4.21Å
149Y90.5Very high87.9Confident100 Ų10044 Ų4439%0.39222%0.222SC..SBendtrans-53.4-46.5178.6-179.7-114000113.1Q95 A98 G99 S155 K156 M158Q95-Y149 VanDerWaalsContact NE2-CE2 3.3Å; A98-Y149 PolarHBondContact N-O 3.1Å; A98-Y149 VanDerWaalsContact N-O 3.16Å; G99-Y149 PolarHBondContact N-O 3.37Å; Y149-S155 PolarHBondContact N-OG 2.87Å; Y149-K156 PolarHBondContact N-O 2.91Å; Y149-M158 HydrophobicContact CD2-CG 4.44Å; Y149-M158 HydrophobicContact CD2-SD 4.48Å
150S88.8Confident88.1Confident25 Ų2543.6 Ų43.618%0.17522%0.223CC..SBendtrans-143.9168.9-174.8650000111.2G99 R105 Y148 D152 S155G99-S150 VanDerWaalsContact CA-O 3.22Å; G99-S150 WeakPolarHBondContact CA-O 3.49Å; R105-S150 PolarHBondContact NH1-O 3.4Å; Y148-S150 VanDerWaalsContact C-N 3.31Å; Y148-S150 PolarHBondContact O-N 3.26Å; S150-D152 PolarHBondContact O-N 3.48Å; S150-S155 PolarHBondContact N-OG 3.4Å; S150-S155 WeakPolarHBondContact O-CB 3.14Å; S150-S155 PolarHBondContact O-OG 3.1Å; S150-S155 VanDerWaalsContact O-OG 3.14Å; S150-S155 WeakPolarHBondContact OG-CB 3.47Å; S150-S155 PolarHBondContact OG-OG 3.04Å
151Q87Confident87.8Confident162 Ų16244.8 Ų44.876%0.75723%0.23SC*.SBendtrans-72.9-11.6178-68.3-178.2-11.600113.2R105R105-Q151 PolarHBondContact NH2-O 3.14Å
152D89.5Confident86.8Confident105 Ų10545 Ų4556%0.56123%0.23SC*.SBendtrans-57.6143.5180-60.8-22.8000111.8R105 S150 S154 S155R105-D152 PolarHBondContact NH2-O 2.94Å; S150-D152 PolarHBondContact O-N 3.48Å; D152-S154 VanDerWaalsContact C-N 3.26Å; D152-S154 PolarHBondContact O-N 3.45Å; D152-S155 WeakPolarHBondContact O-CB 2.86Å; D152-S155 PolarHBondContact O-N 2.88Å
153E83Confident85.2Confident149 Ų14944.1 Ų44.170%0.69623%0.231SC*.THydrogen-bonded Turntrans-61.8-35.5-177.9-169.6-18017900112.4R109 S155R109-E153 PolarHBondContact NH2-O 3.44Å; E153-S155 PolarHBondContact O-N 3.31Å
154S87.1Confident83.5Confident116 Ų11650.4 Ų50.481%0.81126%0.264SS*.THydrogen-bonded Turntrans-85.211.3176.362.20000113.7D152 K156D152-S154 VanDerWaalsContact C-N 3.26Å; D152-S154 PolarHBondContact O-N 3.45Å; S154-K156 PolarHBondContact O-N 2.82Å
155S92.6Very high82Confident13 Ų1348.2 Ų48.29%0.09125%0.254CS..PPolyproline II helixtrans-59.7137.5-177.1-177.10000111.5Y148 Y149 S150 D152 E153Y148-S155 VanDerWaalsContact CD1-O 3.32Å; Y148-S155 WeakPolarHBondContact CD1-O 3.26Å; Y148-S155 WeakPolarHBondContact CE1-O 3.08Å; Y149-S155 PolarHBondContact N-OG 2.87Å; S150-S155 PolarHBondContact N-OG 3.4Å; S150-S155 WeakPolarHBondContact O-CB 3.14Å; S150-S155 PolarHBondContact O-OG 3.1Å; S150-S155 VanDerWaalsContact O-OG 3.14Å; S150-S155 WeakPolarHBondContact OG-CB 3.47Å; S150-S155 PolarHBondContact OG-OG 3.04Å; D152-S155 WeakPolarHBondContact O-CB 2.86Å; D152-S155 PolarHBondContact O-N 2.88Å; E153-S155 PolarHBondContact O-N 3.31Å
156K93.9Very high80.4Confident59 Ų5951.6 Ų51.626%0.25727%0.268SS..PPolyproline II helixtrans-71.5153.3171.462-178.8175.6172.60111.8D75 Y149 S154 M158D75-K156 VanDerWaalsContact O-CD 3.31Å; D75-K156 WeakPolarHBondContact O-CD 3.15Å; D75-K156 WeakPolarHBondContact O-CE 3.25Å; D75-K156 PolarHBondContact O-NZ 2.86Å; D75-K156 IonicContact OD1-NZ 2.86Å; D75-K156 PolarHBondContact OD1-NZ 2.92Å; Y149-K156 PolarHBondContact N-O 2.91Å; S154-K156 PolarHBondContact O-N 2.82Å; K156-M158 HydrophobicContact CD-SD 4.1Å; K156-M158 HydrophobicContact CG-SD 4.07Å
157I95.1Very high78.3Confident1 Ų155 Ų551%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-84143.9170.9-162.170.3000109.7N76 L102 V120 Q123 V124 L146 Y148N76-I157 WeakPolarHBondContact CB-O 3.45Å; N76-I157 PolarHBondContact ND2-O 3.24Å; L102-I157 HydrophobicContact CB-CD1 4.33Å; L102-I157 HydrophobicContact CD1-CD1 4.18Å; V120-I157 HydrophobicContact CG1-CG1 4.29Å; V120-I157 HydrophobicContact CG1-CG2 4.46Å; Q123-I157 HydrophobicContact CB-CG2 3.44Å; Q123-I157 VanDerWaalsContact CB-CG2 3.44Å; Q123-I157 HydrophobicContact CG-CG2 4.32Å; V124-I157 HydrophobicContact CG2-CG2 4.16Å; L146-I157 HydrophobicContact CB-CD1 4.14Å; L146-I157 HydrophobicContact CB-CG1 4.17Å; Y148-I157 HydrophobicContact CD1-CD1 4.39Å; Y148-I157 HydrophobicContact CD2-CD1 4.01Å; Y148-I157 HydrophobicContact CE1-CD1 4.42Å; Y148-I157 HydrophobicContact CE2-CD1 4.08Å; Y148-I157 HydrophobicContact CG-CD1 4.21Å
158M92.5Very high76.1Confident1 Ų157.3 Ų57.31%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-123.9134.1179.8-56.1-65.1-66.700108.8D75 V78 V97 L147 Y149 K156D75-M158 WeakPolarHBondContact O-CE 3.36Å; V78-M158 HydrophobicContact CG2-CB 4.2Å; V97-M158 HydrophobicContact CG1-CB 4.38Å; V97-M158 HydrophobicContact CG1-CG 4.27Å; V97-M158 HydrophobicContact CG2-CB 4.21Å; V97-M158 HydrophobicContact CG2-CG 4.08Å; L147-M158 PolarHBondContact N-O 3.42Å; L147-M158 WeakPolarHBondContact O-CA 3.38Å; L147-M158 WeakPolarHBondContact O-CB 3.31Å; L147-M158 PolarHBondContact O-N 2.67Å; Y149-M158 HydrophobicContact CD2-CG 4.44Å; Y149-M158 HydrophobicContact CD2-SD 4.48Å; K156-M158 HydrophobicContact CD-SD 4.1Å; K156-M158 HydrophobicContact CG-SD 4.07Å
159I90.7Very high73.7Confident0 Ų062.3 Ų62.30%032%0.322CS..EExtended strand (participates in β ladder)trans-83.4118.3167-56.8-174.3000108.2N76 V78 V124 A127 V128 H138 L141 N145 L146N76-I159 PolarHBondContact O-N 3.18Å; V78-I159 WeakPolarHBondContact CG2-O 3.13Å; V78-I159 PolarHBondContact N-O 3.3Å; V124-I159 HydrophobicContact CG1-CD1 4.19Å; A127-I159 HydrophobicContact CB-CD1 3.48Å; A127-I159 VanDerWaalsContact CB-CD1 3.48Å; A127-I159 HydrophobicContact CB-CG1 4.06Å; V128-I159 HydrophobicContact CG2-CD1 3.58Å; H138-I159 WeakPolarHBondContact NE2-CG2 3.46Å; L141-I159 HydrophobicContact CD2-CD1 4.27Å; L141-I159 HydrophobicContact CD2-CG2 4.04Å; N145-I159 WeakPolarHBondContact O-CA 3.28Å; L146-I159 HydrophobicContact CD2-CG1 3.86Å
160S82.8Confident71.2Confident16 Ų1666 Ų6611%0.11235%0.348CS..  trans-103.9165.517462.20000111.8H138 N145H138-S160 PolarHBondContact NE2-O 3.16Å; N145-S160 WeakPolarHBondContact CA-OG 3.47Å; N145-S160 WeakPolarHBondContact CB-O 3.47Å; N145-S160 PolarHBondContact O-N 3.45Å; N145-S160 PolarHBondContact O-OG 3.33Å
161D72.2Confident69.1Low58 Ų5867.2 Ų67.231%0.3136%0.364SS..  trans57.554.6170.5-156.215.3000117.3K50 G163K50-D161 IonicContact NZ-OD1 3.47Å; K50-D161 PolarHBondContact NZ-OD1 2.75Å; K50-D161 IonicContact NZ-OD2 3.74Å; D161-G163 PolarHBondContact O-N 2.63Å
162F66.4Low67.1Low4 Ų464 Ų642%0.01836%0.356CS..  trans-84.616.6165.450.2-99.8000112.9L69 I72 V77 V78 M94 L164 S165L69-F162 HydrophobicContact CB-CE2 3.99Å; L69-F162 HydrophobicContact CD1-CD2 3.8Å; L69-F162 HydrophobicContact CD1-CE2 3.64Å; L69-F162 HydrophobicContact CD2-CD2 3.22Å; L69-F162 HydrophobicContact CD2-CE2 3.32Å; L69-F162 HydrophobicContact CD2-CG 4.37Å; L69-F162 HydrophobicContact CG-CD2 3.98Å; L69-F162 HydrophobicContact CG-CE2 3.74Å; I72-F162 HydrophobicContact CD1-CE2 4.42Å; V77-F162 HydrophobicContact CG1-CD1 3.92Å; V77-F162 HydrophobicContact CG1-CE1 3.52Å; V77-F162 HydrophobicContact CG1-CZ 4.36Å; V78-F162 HydrophobicContact CB-CE1 4.4Å; V78-F162 WeakPolarHBondContact O-CE1 2.8Å; V78-F162 WeakPolarHBondContact O-CZ 3.39Å; M94-F162 HydrophobicContact CE-CE1 4.47Å; M94-F162 HydrophobicContact CE-CZ 4.23Å; F162-L164 PolarHBondContact O-N 3.06Å; F162-S165 WeakPolarHBondContact O-CB 3.32Å; F162-S165 PolarHBondContact O-N 3.11Å; F162-S165 PolarHBondContact O-OG 2.94Å
163G51.7Low65.1Low15 Ų1559.6 Ų59.616%0.15533%0.332CS..THydrogen-bonded Turntrans-73.715.4-172.800000116E65 D161E65-G163 VanDerWaalsContact OE1-C 3.26Å; D161-G163 PolarHBondContact O-N 2.63Å
164L49.4Very low63.3Low133 Ų13356.6 Ų56.670%0.69633%0.327SS*.THydrogen-bonded Turntrans-131.514.8168-63.1174000110.6E65 F162 K166E65-L164 PolarHBondContact OE1-N 3.02Å; F162-L164 PolarHBondContact O-N 3.06Å; L164-K166 PolarHBondContact O-N 3.37Å; L164-K166 VanDerWaalsContact O-N 3.1Å
165S52Low61.2Low2 Ų255.1 Ų55.11%0.01431%0.314CS..  trans-75.9101.7-176.262.50000108.7E65 V137 F162E65-S165 WeakPolarHBondContact CG-O 3.31Å; E65-S165 PolarHBondContact OE1-N 2.83Å; V137-S165 WeakPolarHBondContact O-CA 3.35Å; V137-S165 VanDerWaalsContact O-CB 3.26Å; V137-S165 WeakPolarHBondContact O-CB 3.48Å; F162-S165 WeakPolarHBondContact O-CB 3.32Å; F162-S165 PolarHBondContact O-N 3.11Å; F162-S165 PolarHBondContact O-OG 2.94Å
166K52.5Low58.9Low80 Ų8058 Ų5835%0.34834%0.338SS..  trans-83.2128.8-178.7172.6176.9-173.5-167.20110R139 L164 M173R139-K166 VanDerWaalsContact CZ-CB 3.43Å; R139-K166 PolarHBondContact NH2-O 3.02Å; L164-K166 PolarHBondContact O-N 3.37Å; L164-K166 VanDerWaalsContact O-N 3.1Å; K166-M173 HydrophobicContact CD-CE 4.23Å; K166-M173 HydrophobicContact CD-SD 3.47Å; K166-M173 WeakPolarHBondContact CD-SD 3.47Å; K166-M173 WeakPolarHBondContact CE-SD 3.47Å; K166-M173 HydrophobicContact CG-CE 3.97Å; K166-M173 HydrophobicContact CG-SD 3.77Å
167M45.6Very low56.7Low70 Ų7057.7 Ų57.735%0.34534%0.343SS..BIsolated β-bridgetrans-54.6141.9172.7-76.3-110.6-77.600111V68 D169 M173V68-M167 HydrophobicContact CB-SD 4.13Å; V68-M167 HydrophobicContact CG1-SD 3.95Å; V68-M167 HydrophobicContact CG2-CE 3.52Å; V68-M167 HydrophobicContact CG2-CG 4.14Å; V68-M167 HydrophobicContact CG2-SD 3.32Å; V68-M167 WeakPolarHBondContact CG2-SD 3.2Å; M167-D169 PolarHBondContact O-N 3.08Å; M167-M173 WeakPolarHBondContact O-CE 3.28Å
168E44.1Very low54.8Low88 Ų8859.4 Ų59.441%0.41136%0.36SS..  trans-67.786.9174-172.3170.9-14300110.5G135 K195G135-E168 PolarHBondContact O-N 3.21Å; G135-E168 VanDerWaalsContact O-N 3.17Å; E168-K195 WeakPolarHBondContact OE2-CE 3.37Å; E168-K195 IonicContact OE2-NZ 3.96Å; E168-K195 PolarHBondContact OE2-NZ 2.76Å; E168-K195 VanDerWaalsContact OE2-NZ 3.11Å
169D40.9Very low53.4Low111 Ų11161.7 Ų61.759%0.59437%0.374SS*.  trans-67.3132.9161.4-81.7-28.1000108.2M167 G171 M173M167-D169 PolarHBondContact O-N 3.08Å; D169-G171 CarbonylContact O-C 3.58Å; D169-G171 PolarHBondContact O-N 3.07Å; D169-M173 HydrophobicContact CB-CE 4.29Å
170N38.3Very low52.1Low178 Ų17864 Ų6495%0.95239%0.39SS*.SBendtrans-45.266.9-171.9-71.8-19.9000116.4
171G43.5Very low51.8Low50 Ų5064 Ų6452%0.51539%0.393SS..SBendtrans130.4118.3179.200000113.1D169D169-G171 CarbonylContact O-C 3.58Å; D169-G171 PolarHBondContact O-N 3.07Å
172V44.8Very low52.4Low96 Ų9662.8 Ų62.858%0.58238%0.384SS*.  trans58.595.7146.2176.80000116.2P192V172-P192 HydrophobicContact CB-CB 3.63Å; V172-P192 HydrophobicContact CB-CG 3.96Å; V172-P192 HydrophobicContact CG1-CB 3.31Å; V172-P192 HydrophobicContact CG1-CG 3.28Å; V172-P192 HydrophobicContact CG2-CB 3.48Å; V172-P192 VanDerWaalsContact CG2-CB 3.48Å; V172-P192 HydrophobicContact CG2-CG 3.67Å
173M48.2Very low53.3Low12 Ų1263.1 Ų63.16%0.05939%0.386CS..BIsolated β-bridgetrans-85.9135.9169.4-62.3-82164.100110.5R139 K166 M167 D169 P192 Y193R139-M173 PolarHBondContact NH1-SD 3.05Å; R139-M173 VanDerWaalsContact NH1-SD 3.41Å; R139-M173 VanDerWaalsContact NH2-CG 3.33Å; R139-M173 PolarHBondContact NH2-SD 3.09Å; K166-M173 HydrophobicContact CD-CE 4.23Å; K166-M173 HydrophobicContact CD-SD 3.47Å; K166-M173 WeakPolarHBondContact CD-SD 3.47Å; K166-M173 WeakPolarHBondContact CE-SD 3.47Å; K166-M173 HydrophobicContact CG-CE 3.97Å; K166-M173 HydrophobicContact CG-SD 3.77Å; M167-M173 WeakPolarHBondContact O-CE 3.28Å; D169-M173 HydrophobicContact CB-CE 4.29Å; M173-P192 WeakPolarHBondContact O-CA 3.49Å; M173-Y193 HydrophobicContact CB-CD1 4.11Å; M173-Y193 HydrophobicContact CB-CD2 3.93Å; M173-Y193 HydrophobicContact CB-CE1 3.75Å; M173-Y193 HydrophobicContact CB-CE2 3.54Å; M173-Y193 HydrophobicContact CB-CG 4.2Å; M173-Y193 VanDerWaalsContact CB-CZ 3.46Å; M173-Y193 HydrophobicContact CG-CE2 4.27Å; M173-Y193 WeakPolarHBondContact O-CD1 3.27Å; M173-Y193 VanDerWaalsContact O-CE1 3.25Å; M173-Y193 WeakPolarHBondContact O-CE1 3.27Å; M173-Y193 PolarHBondContact O-N 3.06Å
174S44.5Very low54.9Low85 Ų8562.4 Ų62.459%0.59438%0.379SS*.  trans-122.9-3.4-17157.80000116.2
175T43.9Very low56.8Low86 Ų8656.4 Ų56.453%0.52835%0.348SS..  trans-84.4122.5-178.5-46.30000111.3C177 Y193T175-C177 PolarHBondContact O-N 3.32Å; T175-Y193 WeakPolarHBondContact O-CE1 3.48Å; T175-Y193 PolarHBondContact O-OH 2.98Å
176A44.6Very low58.4Low72 Ų7256.9 Ų56.960%0.59535%0.35SS*.  trans-66112.5170.800000109.8
177C48Very low59.8Low54 Ų5453.6 Ų53.637%0.36534%0.336SS..  trans-140.6149.6175.750.60000108.7T175T175-C177 PolarHBondContact O-N 3.32Å
178G54.6Low61.4Low36 Ų3652.7 Ų52.737%0.37133%0.333SS..SBendtrans122.5160178.100000114.6D140D140-G178 WeakPolarHBondContact OD1-CA 3.34Å
179T63.2Low63Low49 Ų4950.2 Ų50.230%0.30133%0.327SS..  trans-77122.2177.1-57.70000110.1D140 G181 Y182 V183D140-T179 PolarHBondContact OD1-N 3.37Å; T179-G181 VanDerWaalsContact C-N 3.26Å; T179-G181 PolarHBondContact O-N 3.39Å; T179-Y182 HydrophobicContact CG2-CD2 3.99Å; T179-Y182 HydrophobicContact CG2-CE2 4.25Å; T179-Y182 PolarHBondContact O-N 3.37Å; T179-V183 WeakPolarHBondContact O-CG2 3.28Å
180P62.9Low64.4Low49 Ų4952 Ų5232%0.31833%0.332SS..G310 helixtrans-41.1-40.3-166.8-37.937.7000117.6Y182 L224 F225 I228P180-Y182 VanDerWaalsContact C-N 3.35Å; P180-Y182 PolarHBondContact O-N 2.83Å; P180-L224 HydrophobicContact CB-CD2 4.19Å; P180-F225 HydrophobicContact CB-CE1 3.85Å; P180-F225 HydrophobicContact CB-CZ 4.35Å; P180-F225 HydrophobicContact CG-CE1 4.46Å; P180-I228 WeakPolarHBondContact O-CD1 3.4Å
181G77.2Confident65.8Low17 Ų1749.6 Ų49.618%0.17531%0.313CS..G310 helixtrans-74.9-14.6-178.100000116.1T179T179-G181 VanDerWaalsContact C-N 3.26Å; T179-G181 PolarHBondContact O-N 3.39Å
182Y84Confident66.8Low31 Ų3150.7 Ų50.712%0.12231%0.311CS..G310 helixtrans-111-1.5-175.8-58.2-85.8000112.9K142 P143 T179 P180 S201 V204 I205 I208K142-Y182 HydrophobicContact CB-CD2 4.2Å; K142-Y182 HydrophobicContact CB-CE2 4.37Å; K142-Y182 HydrophobicContact CB-CG 4.34Å; P143-Y182 VanDerWaalsContact CD-CE1 3.42Å; P143-Y182 VanDerWaalsContact CD-CZ 3.41Å; P143-Y182 WeakPolarHBondContact CD-OH 3.46Å; P143-Y182 HydrophobicContact CG-CE1 3.93Å; P143-Y182 WeakPolarHBondContact CG-OH 3.44Å; T179-Y182 HydrophobicContact CG2-CD2 3.99Å; T179-Y182 HydrophobicContact CG2-CE2 4.25Å; T179-Y182 PolarHBondContact O-N 3.37Å; P180-Y182 VanDerWaalsContact C-N 3.35Å; P180-Y182 PolarHBondContact O-N 2.83Å; Y182-S201 PolarHBondContact O-OG 2.81Å; Y182-V204 HydrophobicContact CD1-CB 4.05Å; Y182-V204 HydrophobicContact CD1-CG1 3.39Å; Y182-V204 HydrophobicContact CE1-CG1 3.67Å; Y182-V204 HydrophobicContact CG-CG1 4.28Å; Y182-I205 HydrophobicContact CD1-CG1 4.37Å; Y182-I205 HydrophobicContact CE1-CG1 4.37Å; Y182-I208 HydrophobicContact CE1-CD1 3.52Å
183V84.8Confident67.7Low11 Ų1147 Ų477%0.06729%0.287CS..  trans-84.3137.5-173.7174.70000110.5T179 V187 L188 W200 I228T179-V183 WeakPolarHBondContact O-CG2 3.28Å; V183-V187 HydrophobicContact CG1-CB 3.5Å; V183-V187 VanDerWaalsContact CG1-CB 3.5Å; V183-V187 HydrophobicContact CG1-CG1 3.54Å; V183-V187 HydrophobicContact CG1-CG2 4.3Å; V183-L188 HydrophobicContact CB-CD2 4.47Å; V183-L188 HydrophobicContact CG1-CD2 3.91Å; V183-L188 HydrophobicContact CG1-CG 3.99Å; V183-W200 PolarHBondContact O-NE1 3.17Å; V183-I228 WeakPolarHBondContact O-CG2 3.26Å
184A85.8Confident69.2Low1 Ų148.9 Ų48.91%0.00830%0.301CS..  trans-71.7152.7179.500000112.6E186 V187 L188 V197 W200A184-E186 VanDerWaalsContact C-N 3.28Å; A184-E186 HydrophobicContact CB-CG 4.45Å; A184-E186 PolarHBondContact O-N 3.1Å; A184-V187 HydrophobicContact CB-CG2 4.34Å; A184-V187 PolarHBondContact O-N 3.28Å; A184-L188 PolarHBondContact O-N 3.14Å; A184-V197 HydrophobicContact CB-CB 4.15Å; A184-V197 HydrophobicContact CB-CG1 3.99Å; A184-W200 HydrophobicContact CB-CB 3.8Å; A184-W200 HydrophobicContact CB-CD2 4.25Å; A184-W200 HydrophobicContact CB-CG 3.73Å
185P88.6Confident71.3Confident6 Ų647.7 Ų47.74%0.03929%0.286CS..Hα-helixtrans-55-40.5-179-25.834.5000113.5V187 L188 A189 W200 I228 M229P185-V187 VanDerWaalsContact C-N 3.29Å; P185-V187 PolarHBondContact O-N 3.3Å; P185-L188 PolarHBondContact O-N 2.97Å; P185-A189 WeakPolarHBondContact O-CB 3.21Å; P185-A189 PolarHBondContact O-N 3.41Å; P185-W200 HydrophobicContact CG-CE3 4.26Å; P185-W200 HydrophobicContact CG-CH2 3.56Å; P185-W200 HydrophobicContact CG-CZ2 3.95Å; P185-W200 HydrophobicContact CG-CZ3 3.73Å; P185-I228 HydrophobicContact CG-CG2 4.38Å; P185-I228 WeakPolarHBondContact CG-O 3.38Å; P185-M229 HydrophobicContact CB-SD 4.3Å
186E86.8Confident73.6Confident12 Ų1244.3 Ų44.36%0.05627%0.266CS..Hα-helixtrans-66.8-27.8-179.362.5-88.8-15500113.8A184 A189 Q190 K191 V197 R262A184-E186 VanDerWaalsContact C-N 3.28Å; A184-E186 HydrophobicContact CB-CG 4.45Å; A184-E186 PolarHBondContact O-N 3.1Å; E186-A189 PolarHBondContact O-N 3.5Å; E186-Q190 PolarHBondContact O-N 3.4Å; E186-K191 HydrophobicContact CB-CB 4.33Å; E186-K191 WeakPolarHBondContact O-CB 3.39Å; E186-K191 PolarHBondContact O-N 3.23Å; E186-V197 HydrophobicContact CG-CG1 4.29Å; E186-R262 IonicContact OE1-CZ 2.97Å; E186-R262 IonicContact OE1-NH1 2.74Å; E186-R262 PolarHBondContact OE1-NH1 2.78Å; E186-R262 IonicContact OE1-NH2 3.17Å; E186-R262 PolarHBondContact OE1-NH2 2.81Å; E186-R262 IonicContact OE2-CZ 2.78Å; E186-R262 IonicContact OE2-NH1 3.13Å; E186-R262 IonicContact OE2-NH2 2.69Å; E186-R262 PolarHBondContact OE2-NH2 2.85Å
187V82.6Confident75.8Confident11 Ų1141.1 Ų41.17%0.06724%0.239CC..Hα-helixtrans-72.4-42.9175.9178.30000110V183 A184 P185 A189 Q190 Y193 V197V183-V187 HydrophobicContact CG1-CB 3.5Å; V183-V187 VanDerWaalsContact CG1-CB 3.5Å; V183-V187 HydrophobicContact CG1-CG1 3.54Å; V183-V187 HydrophobicContact CG1-CG2 4.3Å; A184-V187 HydrophobicContact CB-CG2 4.34Å; A184-V187 PolarHBondContact O-N 3.28Å; P185-V187 VanDerWaalsContact C-N 3.29Å; P185-V187 PolarHBondContact O-N 3.3Å; V187-A189 VanDerWaalsContact C-N 3.27Å; V187-A189 PolarHBondContact O-N 3.19Å; V187-Q190 PolarHBondContact O-N 2.99Å; V187-Y193 HydrophobicContact CG2-CD1 4.1Å; V187-Y193 HydrophobicContact CG2-CG 4.01Å; V187-V197 HydrophobicContact CG2-CB 4.32Å; V187-V197 HydrophobicContact CG2-CG1 3.57Å
188L79.3Confident78Confident52 Ų5238.5 Ų38.527%0.27222%0.222SC..Hα-helixtrans-64.7-33.8174-63.4-178.4000112V183 A184 P185 Q190 F225 I228 M229V183-L188 HydrophobicContact CB-CD2 4.47Å; V183-L188 HydrophobicContact CG1-CD2 3.91Å; V183-L188 HydrophobicContact CG1-CG 3.99Å; A184-L188 PolarHBondContact O-N 3.14Å; P185-L188 PolarHBondContact O-N 2.97Å; L188-Q190 PolarHBondContact O-N 3.17Å; L188-F225 HydrophobicContact CD1-CB 4.31Å; L188-F225 HydrophobicContact CD1-CD1 3.7Å; L188-F225 HydrophobicContact CD1-CE1 4.46Å; L188-F225 HydrophobicContact CD1-CG 4.34Å; L188-F225 HydrophobicContact CD2-CD1 3.91Å; L188-F225 HydrophobicContact CD2-CE1 3.92Å; L188-F225 HydrophobicContact CG-CD1 4.47Å; L188-I228 HydrophobicContact CD1-CB 3.89Å; L188-I228 HydrophobicContact CD1-CD1 4.22Å; L188-I228 HydrophobicContact CD1-CG2 3.56Å; L188-M229 HydrophobicContact CB-CG 4.39Å; L188-M229 HydrophobicContact CB-SD 3.83Å; L188-M229 HydrophobicContact CD1-CG 4.41Å
189A76.5Confident80Confident36 Ų3636.9 Ų36.930%0.29821%0.205SC..THydrogen-bonded Turntrans-72.40.9173.600000113.8P185 E186 V187 K191 M229P185-A189 WeakPolarHBondContact O-CB 3.21Å; P185-A189 PolarHBondContact O-N 3.41Å; E186-A189 PolarHBondContact O-N 3.5Å; V187-A189 VanDerWaalsContact C-N 3.27Å; V187-A189 PolarHBondContact O-N 3.19Å; A189-K191 HydrophobicContact CB-CD 4.12Å; A189-K191 HydrophobicContact CB-CG 3.93Å; A189-K191 PolarHBondContact O-N 3.22Å; A189-K191 VanDerWaalsContact O-N 3.1Å; A189-M229 HydrophobicContact CB-CE 3.75Å; A189-M229 HydrophobicContact CB-SD 4.18Å
190Q70.9Confident81.6Confident148 Ų14834.6 Ų34.669%0.69219%0.191SC*.THydrogen-bonded Turntrans52.529.5-174.3-59-179.3-4.600113.1E186 V187 L188E186-Q190 PolarHBondContact O-N 3.4Å; V187-Q190 PolarHBondContact O-N 2.99Å; L188-Q190 PolarHBondContact O-N 3.17Å
191K67Low83.2Confident127 Ų12732.4 Ų32.455%0.55218%0.177SC*.  trans-82.6156.9176.3-69.5-178.8-179.2-177.80109.7E186 A189 Y193E186-K191 HydrophobicContact CB-CB 4.33Å; E186-K191 WeakPolarHBondContact O-CB 3.39Å; E186-K191 PolarHBondContact O-N 3.23Å; A189-K191 HydrophobicContact CB-CD 4.12Å; A189-K191 HydrophobicContact CB-CG 3.93Å; A189-K191 PolarHBondContact O-N 3.22Å; A189-K191 VanDerWaalsContact O-N 3.1Å; K191-Y193 PolarHBondContact O-N 3.07Å; K191-Y193 VanDerWaalsContact O-N 3.13Å
192P64.3Low84.1Confident74 Ų7431.6 Ų31.648%0.48117%0.168SC..  trans-37.2121.2155.8-14.24.1000113V172 M173V172-P192 HydrophobicContact CB-CB 3.63Å; V172-P192 HydrophobicContact CB-CG 3.96Å; V172-P192 HydrophobicContact CG1-CB 3.31Å; V172-P192 HydrophobicContact CG1-CG 3.28Å; V172-P192 HydrophobicContact CG2-CB 3.48Å; V172-P192 VanDerWaalsContact CG2-CB 3.48Å; V172-P192 HydrophobicContact CG2-CG 3.67Å; M173-P192 WeakPolarHBondContact O-CA 3.49Å
193Y64.8Low84.8Confident17 Ų1730.1 Ų30.17%0.06716%0.163CC..BIsolated β-bridgetrans-116.5155.4172.759.9-95.7000111.9R139 M173 T175 V187 K191 V197R139-Y193 HydrophobicContact CG-CE2 4.26Å; R139-Y193 PolarHBondContact NH1-OH 2.86Å; M173-Y193 HydrophobicContact CB-CD1 4.11Å; M173-Y193 HydrophobicContact CB-CD2 3.93Å; M173-Y193 HydrophobicContact CB-CE1 3.75Å; M173-Y193 HydrophobicContact CB-CE2 3.54Å; M173-Y193 HydrophobicContact CB-CG 4.2Å; M173-Y193 VanDerWaalsContact CB-CZ 3.46Å; M173-Y193 HydrophobicContact CG-CE2 4.27Å; M173-Y193 WeakPolarHBondContact O-CD1 3.27Å; M173-Y193 VanDerWaalsContact O-CE1 3.25Å; M173-Y193 WeakPolarHBondContact O-CE1 3.27Å; M173-Y193 PolarHBondContact O-N 3.06Å; T175-Y193 WeakPolarHBondContact O-CE1 3.48Å; T175-Y193 PolarHBondContact O-OH 2.98Å; V187-Y193 HydrophobicContact CG2-CD1 4.1Å; V187-Y193 HydrophobicContact CG2-CG 4.01Å; K191-Y193 PolarHBondContact O-N 3.07Å; K191-Y193 VanDerWaalsContact O-N 3.13Å; Y193-V197 HydrophobicContact CD2-CG1 4.34Å; Y193-V197 HydrophobicContact CD2-CG2 4.43Å; Y193-V197 HydrophobicContact CG-CG1 4.29Å
194S78.4Confident85.4Confident52 Ų5229.6 Ų29.636%0.36416%0.159SC..  trans-134.8-170.5-175.4710000110.1A196 V197S194-A196 PolarHBondContact O-N 3.13Å; S194-A196 PolarHBondContact OG-N 3.12Å; S194-V197 WeakPolarHBondContact O-CG2 3.28Å; S194-V197 PolarHBondContact O-N 2.74Å; S194-V197 VanDerWaalsContact O-N 3.11Å
195K89.4Confident85.8Confident61 Ų6129.6 Ų29.627%0.26516%0.159SC..THydrogen-bonded Turntrans-44.6-27.4171.9-69.3166.6-171.5175.20114.8H132 V137 E168 V197 D198H132-K195 HydrophobicContact CB-CD 3.87Å; H132-K195 HydrophobicContact CB-CG 4.2Å; H132-K195 PolarHBondContact CE1-O 2.8Å; H132-K195 WeakPolarHBondContact O-CE 3.37Å; H132-K195 PolarHBondContact O-NZ 3.42Å; V137-K195 HydrophobicContact CG2-CG 3.85Å; E168-K195 WeakPolarHBondContact OE2-CE 3.37Å; E168-K195 IonicContact OE2-NZ 3.96Å; E168-K195 PolarHBondContact OE2-NZ 2.76Å; E168-K195 VanDerWaalsContact OE2-NZ 3.11Å; K195-V197 PolarHBondContact O-N 3.26Å; K195-V197 VanDerWaalsContact O-N 3.17Å; K195-D198 PolarHBondContact O-N 2.75Å
196A92.1Very high86.3Confident14 Ų1429.3 Ų29.312%0.11616%0.157CC..Hα-helixtrans-62.1-20.8179.800000114.4S194 C199 W200 P259 R262S194-A196 PolarHBondContact O-N 3.13Å; S194-A196 PolarHBondContact OG-N 3.12Å; A196-C199 WeakPolarHBondContact O-CB 3.5Å; A196-C199 PolarHBondContact O-N 3.4Å; A196-W200 PolarHBondContact O-N 2.98Å; A196-P259 HydrophobicContact CB-CB 3.97Å; A196-R262 WeakPolarHBondContact O-CD 3.18Å; A196-R262 PolarHBondContact O-NH1 3.41Å
197V91.4Very high86.8Confident5 Ų528.9 Ų28.93%0.0316%0.155CC..Hα-helixtrans-69-36.5177.7-57.90000112.2V137 A184 E186 V187 Y193 S194 K195 C199 W200 S201V137-V197 HydrophobicContact CG1-CG2 3.96Å; A184-V197 HydrophobicContact CB-CB 4.15Å; A184-V197 HydrophobicContact CB-CG1 3.99Å; E186-V197 HydrophobicContact CG-CG1 4.29Å; V187-V197 HydrophobicContact CG2-CB 4.32Å; V187-V197 HydrophobicContact CG2-CG1 3.57Å; Y193-V197 HydrophobicContact CD2-CG1 4.34Å; Y193-V197 HydrophobicContact CD2-CG2 4.43Å; Y193-V197 HydrophobicContact CG-CG1 4.29Å; S194-V197 WeakPolarHBondContact O-CG2 3.28Å; S194-V197 PolarHBondContact O-N 2.74Å; S194-V197 VanDerWaalsContact O-N 3.11Å; K195-V197 PolarHBondContact O-N 3.26Å; K195-V197 VanDerWaalsContact O-N 3.17Å; V197-C199 VanDerWaalsContact C-N 3.28Å; V197-C199 PolarHBondContact O-N 3.44Å; V197-W200 WeakPolarHBondContact O-CB 3.49Å; V197-W200 PolarHBondContact O-N 2.91Å; V197-S201 PolarHBondContact O-N 3.43Å; V197-S201 VanDerWaalsContact O-N 3.11Å; V197-S201 PolarHBondContact O-OG 3.41Å
198D93.4Very high87.4Confident0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-64.6-38.7176.6-66.8-22.1000110V128 H132 V137 H138 R139 L141 K195 W200 S201 I202V128-D198 HydrophobicContact CG1-CB 3.87Å; H132-D198 IonicContact CD2-OD2 3.4Å; H132-D198 IonicContact CE1-OD2 3.63Å; H132-D198 IonicContact NE2-OD2 2.68Å; H132-D198 PolarHBondContact NE2-OD2 3.28Å; V137-D198 WeakPolarHBondContact CG1-OD2 3.3Å; H138-D198 PolarHBondContact N-OD1 2.87Å; H138-D198 PolarHBondContact N-OD2 2.7Å; R139-D198 PolarHBondContact N-OD1 3.4Å; L141-D198 HydrophobicContact CD1-CB 3.75Å; K195-D198 PolarHBondContact O-N 2.75Å; D198-W200 VanDerWaalsContact C-N 3.31Å; D198-W200 PolarHBondContact O-N 3.12Å; D198-S201 PolarHBondContact O-N 3.39Å; D198-I202 VanDerWaalsContact O-CG1 3.27Å; D198-I202 WeakPolarHBondContact O-CG1 3.47Å; D198-I202 PolarHBondContact O-N 3.24Å
199C97.3Very high88.2Confident2 Ų226 Ų261%0.01414%0.14CC..Hα-helixtrans-61.4-38.8175-58.40000112.3A196 V197 I202 G203 M254 R262 F263A196-C199 WeakPolarHBondContact O-CB 3.5Å; A196-C199 PolarHBondContact O-N 3.4Å; V197-C199 VanDerWaalsContact C-N 3.28Å; V197-C199 PolarHBondContact O-N 3.44Å; C199-I202 PolarHBondContact O-N 3.39Å; C199-G203 PolarHBondContact O-N 3.48Å; C199-M254 HydrophobicContact CB-CE 4.09Å; C199-M254 HydrophobicContact CB-SD 4.42Å; C199-M254 VanDerWaalsContact O-CE 3.28Å; C199-M254 WeakPolarHBondContact O-CE 3.29Å; C199-R262 HydrophobicContact CB-CG 4.45Å; C199-F263 VanDerWaalsContact CB-O 3.3Å; C199-F263 WeakPolarHBondContact CB-O 3.34Å; C199-F263 PolarHBondContact SG-O 2.92Å
200W96.8Very high89.2Confident0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-61.8-48.5174.2175.3-83.7000111.4V183 A184 P185 A196 V197 D198 I202 G203 V204 F216 I228 A231 M255V183-W200 PolarHBondContact O-NE1 3.17Å; A184-W200 HydrophobicContact CB-CB 3.8Å; A184-W200 HydrophobicContact CB-CD2 4.25Å; A184-W200 HydrophobicContact CB-CG 3.73Å; P185-W200 HydrophobicContact CG-CE3 4.26Å; P185-W200 HydrophobicContact CG-CH2 3.56Å; P185-W200 HydrophobicContact CG-CZ2 3.95Å; P185-W200 HydrophobicContact CG-CZ3 3.73Å; A196-W200 PolarHBondContact O-N 2.98Å; V197-W200 WeakPolarHBondContact O-CB 3.49Å; V197-W200 PolarHBondContact O-N 2.91Å; D198-W200 VanDerWaalsContact C-N 3.31Å; D198-W200 PolarHBondContact O-N 3.12Å; W200-I202 VanDerWaalsContact C-N 3.32Å; W200-I202 PolarHBondContact O-N 2.95Å; W200-G203 WeakPolarHBondContact O-CA 3.19Å; W200-G203 PolarHBondContact O-N 3.17Å; W200-V204 PolarHBondContact O-N 3.12Å; W200-F216 HydrophobicContact CH2-CE2 4.42Å; W200-F216 AromaticContact CH2-CZ 3.97Å; W200-F216 HydrophobicContact CH2-CZ 3.97Å; W200-F216 AromaticContact CZ2-CE2 3.56Å; W200-F216 HydrophobicContact CZ2-CE2 3.56Å; W200-F216 AromaticContact CZ2-CZ 3.54Å; W200-F216 HydrophobicContact CZ2-CZ 3.54Å; W200-I228 HydrophobicContact CZ2-CG2 4.14Å; W200-A231 HydrophobicContact CH2-CB 3.78Å; W200-A231 HydrophobicContact CZ3-CB 4.17Å; W200-M255 HydrophobicContact CE3-CB 4.19Å; W200-M255 HydrophobicContact CH2-CB 4.47Å; W200-M255 HydrophobicContact CH2-CE 4.46Å; W200-M255 HydrophobicContact CZ2-CE 4.17Å; W200-M255 VanDerWaalsContact CZ3-C 3.47Å; W200-M255 HydrophobicContact CZ3-CB 4.09Å; W200-M255 WeakPolarHBondContact CZ3-O 3.42Å
201S94.9Very high90.3Very high4 Ų417.3 Ų17.33%0.0289%0.093CC..Hα-helixtrans-61.3-39.2178.9-54.80000112.1L141 Y182 V197 D198 G203 V204 I205L141-S201 WeakPolarHBondContact O-CB 3.28Å; Y182-S201 PolarHBondContact O-OG 2.81Å; V197-S201 PolarHBondContact O-N 3.43Å; V197-S201 VanDerWaalsContact O-N 3.11Å; V197-S201 PolarHBondContact O-OG 3.41Å; D198-S201 PolarHBondContact O-N 3.39Å; S201-G203 VanDerWaalsContact C-N 3.31Å; S201-G203 PolarHBondContact O-N 3.11Å; S201-V204 PolarHBondContact O-N 2.94Å; S201-I205 VanDerWaalsContact O-CG1 3.28Å; S201-I205 WeakPolarHBondContact O-CG1 3.46Å; S201-I205 PolarHBondContact O-N 3.41Å
202I97.7Very high91.5Very high0 Ų011.3 Ų11.30%07%0.067CC..Hα-helixtrans-61.3-39.9172.2-65.2167.8000111I121 V124 L125 V128 L141 D198 C199 W200 I205 T206 M254I121-I202 HydrophobicContact CD1-CG2 4.33Å; I121-I202 HydrophobicContact CG2-CG2 4.12Å; V124-I202 HydrophobicContact CG1-CD1 4.14Å; V124-I202 HydrophobicContact CG1-CG1 3.96Å; L125-I202 HydrophobicContact CD2-CD1 3.94Å; L125-I202 HydrophobicContact CD2-CG2 4.22Å; L125-I202 HydrophobicContact CG-CG2 4.48Å; V128-I202 HydrophobicContact CB-CD1 4.21Å; V128-I202 HydrophobicContact CG1-CD1 4.26Å; V128-I202 HydrophobicContact CG2-CD1 4.07Å; L141-I202 HydrophobicContact CD1-CD1 4.24Å; L141-I202 HydrophobicContact CD1-CG1 3.89Å; D198-I202 VanDerWaalsContact O-CG1 3.27Å; D198-I202 WeakPolarHBondContact O-CG1 3.47Å; D198-I202 PolarHBondContact O-N 3.24Å; C199-I202 PolarHBondContact O-N 3.39Å; W200-I202 VanDerWaalsContact C-N 3.32Å; W200-I202 PolarHBondContact O-N 2.95Å; I202-I205 PolarHBondContact O-N 3.28Å; I202-T206 WeakPolarHBondContact O-CB 3.45Å; I202-T206 PolarHBondContact O-N 3.34Å; I202-T206 PolarHBondContact O-OG1 3.32Å; I202-M254 HydrophobicContact CB-CE 3.66Å; I202-M254 HydrophobicContact CD1-CE 4.44Å; I202-M254 HydrophobicContact CG2-CE 3.51Å
203G98.2Very high92.8Very high0 Ų09.1 Ų9.10%05%0.049CC..Hα-helixtrans-60-45.4173.600000112.7C199 W200 S201 T206 Y207C199-G203 PolarHBondContact O-N 3.48Å; W200-G203 WeakPolarHBondContact O-CA 3.19Å; W200-G203 PolarHBondContact O-N 3.17Å; S201-G203 VanDerWaalsContact C-N 3.31Å; S201-G203 PolarHBondContact O-N 3.11Å; G203-T206 PolarHBondContact O-N 3.06Å; G203-Y207 PolarHBondContact O-N 3.39Å
204V96.6Very high94.1Very high0 Ų09.9 Ų9.90%06%0.056CC..Hα-helixtrans-62.3-44.7175.6176.40000111.5Y182 W200 S201 T206 Y207 I208 P215 F216 M255Y182-V204 HydrophobicContact CD1-CB 4.05Å; Y182-V204 HydrophobicContact CD1-CG1 3.39Å; Y182-V204 HydrophobicContact CE1-CG1 3.67Å; Y182-V204 HydrophobicContact CG-CG1 4.28Å; W200-V204 PolarHBondContact O-N 3.12Å; S201-V204 PolarHBondContact O-N 2.94Å; V204-T206 VanDerWaalsContact C-N 3.33Å; V204-T206 PolarHBondContact O-N 3.45Å; V204-Y207 WeakPolarHBondContact O-CB 3.27Å; V204-Y207 PolarHBondContact O-N 2.87Å; V204-I208 HydrophobicContact CG1-CD1 4.08Å; V204-I208 WeakPolarHBondContact O-CG1 3.41Å; V204-I208 PolarHBondContact O-N 3.37Å; V204-I208 VanDerWaalsContact O-N 3.12Å; V204-P215 HydrophobicContact CB-CG 4.43Å; V204-P215 HydrophobicContact CG1-CG 3.95Å; V204-P215 HydrophobicContact CG2-CG 4.24Å; V204-F216 HydrophobicContact CG2-CE2 4.34Å; V204-M255 HydrophobicContact CG2-CE 3.85Å; V204-M255 HydrophobicContact CG2-SD 4.08Å
205I95.4Very high94.8Very high1 Ų18 Ų81%0.0054%0.043CC..Hα-helixtrans-61.6-43.6176.4-67.7162.1000110.3I121 L141 P143 L146 Y182 S201 I202 Y207 I208 L209I121-I205 HydrophobicContact CD1-CG2 4.2Å; L141-I205 HydrophobicContact CB-CD1 4.37Å; P143-I205 HydrophobicContact CG-CG1 4.33Å; L146-I205 HydrophobicContact CD1-CD1 4.13Å; L146-I205 HydrophobicContact CD1-CG2 3.94Å; Y182-I205 HydrophobicContact CD1-CG1 4.37Å; Y182-I205 HydrophobicContact CE1-CG1 4.37Å; S201-I205 VanDerWaalsContact O-CG1 3.28Å; S201-I205 WeakPolarHBondContact O-CG1 3.46Å; S201-I205 PolarHBondContact O-N 3.41Å; I202-I205 PolarHBondContact O-N 3.28Å; I205-Y207 VanDerWaalsContact C-N 3.33Å; I205-Y207 PolarHBondContact O-N 3.42Å; I205-I208 PolarHBondContact O-N 3.14Å; I205-L209 HydrophobicContact CG2-CD1 3.96Å; I205-L209 HydrophobicContact CG2-CG 4.28Å; I205-L209 WeakPolarHBondContact O-CB 3.26Å; I205-L209 WeakPolarHBondContact O-CG 3.31Å; I205-L209 PolarHBondContact O-N 3.28Å
206T98.4Very high94.9Very high0 Ų05.3 Ų5.30%03%0.031CC..Hα-helixtrans-61.2-42177.6-52.80000111.3I121 I202 G203 V204 I208 L209 L210 F250 I251 W273I121-T206 VanDerWaalsContact CD1-OG1 3.26Å; I121-T206 WeakPolarHBondContact CD1-OG1 3.45Å; I121-T206 HydrophobicContact CG1-CG2 4.22Å; I121-T206 WeakPolarHBondContact CG1-OG1 3.47Å; I202-T206 WeakPolarHBondContact O-CB 3.45Å; I202-T206 PolarHBondContact O-N 3.34Å; I202-T206 PolarHBondContact O-OG1 3.32Å; G203-T206 PolarHBondContact O-N 3.06Å; V204-T206 VanDerWaalsContact C-N 3.33Å; V204-T206 PolarHBondContact O-N 3.45Å; T206-I208 PolarHBondContact O-N 2.78Å; T206-L209 PolarHBondContact O-N 3.17Å; T206-L210 HydrophobicContact CG2-CD1 4.39Å; T206-L210 WeakPolarHBondContact O-CG 3.35Å; T206-L210 PolarHBondContact O-N 3.4Å; T206-F250 HydrophobicContact CG2-CD1 3.97Å; T206-F250 HydrophobicContact CG2-CE1 3.96Å; T206-I251 HydrophobicContact CG2-CD1 4.18Å; T206-I251 HydrophobicContact CG2-CG1 3.88Å; T206-W273 HydrophobicContact CG2-CH2 3.67Å; T206-W273 HydrophobicContact CG2-CZ3 3.74Å
207Y98Very high94.4Very high2 Ų29.8 Ų9.81%0.0085%0.046CC..Hα-helixtrans-56.6-51.4175-174-76000111G203 V204 I205 L209 L210 C211 Y213 P215 Y233 E234 F235 W240 I251G203-Y207 PolarHBondContact O-N 3.39Å; V204-Y207 WeakPolarHBondContact O-CB 3.27Å; V204-Y207 PolarHBondContact O-N 2.87Å; I205-Y207 VanDerWaalsContact C-N 3.33Å; I205-Y207 PolarHBondContact O-N 3.42Å; Y207-L209 VanDerWaalsContact C-N 3.32Å; Y207-L209 PolarHBondContact O-N 2.87Å; Y207-L210 PolarHBondContact O-N 3.3Å; Y207-L210 VanDerWaalsContact O-N 3.11Å; Y207-C211 VanDerWaalsContact CD1-SG 3.54Å; Y207-C211 WeakPolarHBondContact CE1-SG 3.22Å; Y207-C211 PolarHBondContact O-N 3.46Å; Y207-C211 PolarHBondContact O-SG 2.66Å; Y207-Y213 VanDerWaalsContact CD1-O 3.28Å; Y207-Y213 WeakPolarHBondContact CD1-O 3.45Å; Y207-Y213 AromaticContact CE1-CD2 3.96Å; Y207-Y213 HydrophobicContact CE1-CD2 3.96Å; Y207-Y213 AromaticContact CE1-CE2 3.73Å; Y207-Y213 HydrophobicContact CE1-CE2 3.73Å; Y207-Y213 WeakPolarHBondContact CE1-O 3.42Å; Y207-Y213 AromaticContact CZ-CE2 3.96Å; Y207-Y213 VanDerWaalsContact OH-CE2 3.24Å; Y207-Y213 WeakPolarHBondContact OH-CE2 3.4Å; Y207-Y213 PolarHBondContact OH-OH 2.93Å; Y207-P215 HydrophobicContact CD1-CB 3.77Å; Y207-P215 HydrophobicContact CD1-CG 4.1Å; Y207-P215 HydrophobicContact CD2-CB 3.83Å; Y207-P215 HydrophobicContact CE1-CB 3.87Å; Y207-P215 HydrophobicContact CE2-CB 3.93Å; Y207-P215 HydrophobicContact CG-CB 3.77Å; Y207-P215 HydrophobicContact CG-CG 4.07Å; Y207-Y233 HydrophobicContact CD2-CD2 4.46Å; Y207-Y233 HydrophobicContact CE2-CD2 4.21Å; Y207-E234 WeakPolarHBondContact CE2-O 3.39Å; Y207-E234 PolarHBondContact OH-O 2.78Å; Y207-F235 HydrophobicContact CD2-CD1 4.31Å; Y207-F235 AromaticContact CD2-CE1 3.94Å; Y207-F235 HydrophobicContact CD2-CE1 3.94Å; Y207-F235 AromaticContact CE2-CD1 3.82Å; Y207-F235 HydrophobicContact CE2-CD1 3.82Å; Y207-F235 AromaticContact CE2-CE1 3.89Å; Y207-F235 HydrophobicContact CE2-CE1 3.89Å; Y207-W240 AromaticContact CD1-CZ2 3.85Å; Y207-W240 HydrophobicContact CD1-CZ2 3.85Å; Y207-W240 AromaticContact CD2-CH2 3.83Å; Y207-W240 HydrophobicContact CD2-CH2 3.83Å; Y207-W240 AromaticContact CD2-CZ2 3.44Å; Y207-W240 HydrophobicContact CD2-CZ2 3.44Å; Y207-W240 VanDerWaalsContact CD2-CZ2 3.44Å; Y207-W240 AromaticContact CE1-CZ2 3.78Å; Y207-W240 HydrophobicContact CE1-CZ2 3.78Å; Y207-W240 AromaticContact CE2-CE2 3.84Å; Y207-W240 HydrophobicContact CE2-CH2 4.12Å; Y207-W240 AromaticContact CE2-CZ2 3.37Å; Y207-W240 HydrophobicContact CE2-CZ2 3.37Å; Y207-W240 HydrophobicContact CG-CH2 4.12Å; Y207-W240 AromaticContact CG-CZ2 3.68Å; Y207-W240 HydrophobicContact CG-CZ2 3.68Å; Y207-W240 AromaticContact CZ-CE2 3.78Å; Y207-W240 AromaticContact CZ-CZ2 3.53Å; Y207-W240 AromaticContact CZ-NE1 3.58Å; Y207-W240 PolarHBondContact OH-NE1 3.44Å; Y207-I251 HydrophobicContact CD2-CD1 4.5Å; Y207-I251 HydrophobicContact CD2-CG2 4.25Å
208I95Very high94Very high4 Ų411.7 Ų11.72%0.0215%0.054CC..Hα-helixtrans-65.4-37.2-179.3-57.4159.1000111.1F103 Y182 V204 I205 T206 L210 C211 G212 Y213 P214F103-I208 HydrophobicContact CE1-CG2 3.84Å; F103-I208 HydrophobicContact CE2-CG2 4.01Å; F103-I208 HydrophobicContact CZ-CB 3.91Å; F103-I208 HydrophobicContact CZ-CG2 3.27Å; Y182-I208 HydrophobicContact CE1-CD1 3.52Å; V204-I208 HydrophobicContact CG1-CD1 4.08Å; V204-I208 WeakPolarHBondContact O-CG1 3.41Å; V204-I208 PolarHBondContact O-N 3.37Å; V204-I208 VanDerWaalsContact O-N 3.12Å; I205-I208 PolarHBondContact O-N 3.14Å; T206-I208 PolarHBondContact O-N 2.78Å; I208-L210 PolarHBondContact O-N 2.77Å; I208-L210 VanDerWaalsContact O-N 3.17Å; I208-C211 PolarHBondContact O-N 2.74Å; I208-G212 VanDerWaalsContact O-CA 3.24Å; I208-G212 WeakPolarHBondContact O-CA 3.17Å; I208-G212 PolarHBondContact O-N 3.11Å; I208-Y213 WeakPolarHBondContact CG1-O 3.44Å; I208-P214 HydrophobicContact CD1-CB 4.4Å; I208-P214 HydrophobicContact CG1-CB 4.42Å
209L95.5Very high93.4Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-62-21.2176.9-77.9173.9000113.4L102 F103 I106 Y112 A117 V120 I121 I205 T206 Y207L102-L209 HydrophobicContact CD1-CD2 4.27Å; L102-L209 HydrophobicContact CD2-CD1 4.25Å; L102-L209 HydrophobicContact CD2-CD2 3.8Å; L102-L209 HydrophobicContact CD2-CG 4.42Å; L102-L209 HydrophobicContact CG-CD2 3.99Å; F103-L209 HydrophobicContact CD1-CD2 4.37Å; F103-L209 HydrophobicContact CE1-CD2 3.69Å; F103-L209 HydrophobicContact CE1-CG 4.34Å; F103-L209 HydrophobicContact CZ-CD2 4.17Å; F103-L209 HydrophobicContact CZ-CG 4.48Å; I106-L209 HydrophobicContact CD1-CD2 3.45Å; I106-L209 VanDerWaalsContact CD1-CD2 3.45Å; Y112-L209 WeakPolarHBondContact CE1-O 3.41Å; Y112-L209 PolarHBondContact OH-O 3Å; A117-L209 HydrophobicContact CB-CB 4.26Å; V120-L209 HydrophobicContact CG1-CD1 4.44Å; I121-L209 HydrophobicContact CD1-CD1 3.66Å; I121-L209 HydrophobicContact CG1-CD1 3.92Å; I205-L209 HydrophobicContact CG2-CD1 3.96Å; I205-L209 HydrophobicContact CG2-CG 4.28Å; I205-L209 WeakPolarHBondContact O-CB 3.26Å; I205-L209 WeakPolarHBondContact O-CG 3.31Å; I205-L209 PolarHBondContact O-N 3.28Å; T206-L209 PolarHBondContact O-N 3.17Å; Y207-L209 VanDerWaalsContact C-N 3.32Å; Y207-L209 PolarHBondContact O-N 2.87Å
210L97.3Very high92.6Very high1 Ų121.4 Ų21.41%0.00511%0.108CC..Hα-helixtrans-101.3-22.3-177.5-66.6-177.8000114.2E114 A117 T206 Y207 I208 W240 I243 A247 I251 W273 I284 V288E114-L210 HydrophobicContact CB-CD2 4.33Å; E114-L210 HydrophobicContact CG-CD2 3.93Å; A117-L210 HydrophobicContact CB-CD2 3.66Å; T206-L210 HydrophobicContact CG2-CD1 4.39Å; T206-L210 WeakPolarHBondContact O-CG 3.35Å; T206-L210 PolarHBondContact O-N 3.4Å; Y207-L210 PolarHBondContact O-N 3.3Å; Y207-L210 VanDerWaalsContact O-N 3.11Å; I208-L210 PolarHBondContact O-N 2.77Å; I208-L210 VanDerWaalsContact O-N 3.17Å; L210-W240 HydrophobicContact CB-CH2 3.88Å; L210-W240 HydrophobicContact CB-CZ3 4.17Å; L210-W240 HydrophobicContact CD1-CH2 4.3Å; L210-W240 HydrophobicContact CD1-CZ3 4.17Å; L210-I243 HydrophobicContact CB-CD1 4.38Å; L210-I243 HydrophobicContact CD1-CG2 4.11Å; L210-A247 HydrophobicContact CD1-CB 3.67Å; L210-I251 HydrophobicContact CD1-CD1 4.02Å; L210-W273 HydrophobicContact CD1-CH2 4.49Å; L210-W273 HydrophobicContact CD1-CZ2 4.05Å; L210-W273 HydrophobicContact CD2-CZ2 4.13Å; L210-I284 HydrophobicContact CD2-CD1 4.24Å; L210-V288 VanDerWaalsContact O-CG2 3.26Å; L210-V288 WeakPolarHBondContact O-CG2 3.24Å
211C94.7Very high91.9Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-129.3-11.5-178.2710000115Y207 I208 Y213 F239 W240 Q291Y207-C211 VanDerWaalsContact CD1-SG 3.54Å; Y207-C211 WeakPolarHBondContact CE1-SG 3.22Å; Y207-C211 PolarHBondContact O-N 3.46Å; Y207-C211 PolarHBondContact O-SG 2.66Å; I208-C211 PolarHBondContact O-N 2.74Å; C211-Y213 HydrophobicContact CB-CD1 3.85Å; C211-Y213 HydrophobicContact CB-CE1 3.57Å; C211-Y213 WeakPolarHBondContact O-CD1 3.26Å; C211-Y213 PolarHBondContact O-N 3.13Å; C211-Y213 WeakPolarHBondContact SG-CD1 3.42Å; C211-Y213 VanDerWaalsContact SG-CE1 3.51Å; C211-Y213 PolarHBondContact SG-O 3.08Å; C211-Y213 VanDerWaalsContact SG-O 3.32Å; C211-F239 HydrophobicContact CB-CB 4.39Å; C211-W240 HydrophobicContact CB-CZ2 3.76Å; C211-Q291 VanDerWaalsContact O-CB 3.27Å; C211-Q291 WeakPolarHBondContact O-CB 3.34Å; C211-Q291 WeakPolarHBondContact O-CG 3.5Å
212G92.6Very high91.3Very high0 Ų032.9 Ų32.90%017%0.17CC..SBendtrans76.911.2178.600000115.9I208 Q291 I292 N295I208-G212 VanDerWaalsContact O-CA 3.24Å; I208-G212 WeakPolarHBondContact O-CA 3.17Å; I208-G212 PolarHBondContact O-N 3.11Å; G212-Q291 CarbonylContact O-C 3.51Å; G212-Q291 VanDerWaalsContact O-C 3.28Å; G212-I292 PolarHBondContact O-N 3.47Å; G212-N295 PolarHBondContact O-ND2 3.44Å
213Y91.3Very high90.8Very high28 Ų2840.2 Ų40.211%0.1120%0.198CC..SBendtrans-138153175.766.7-94.4000112.2Y207 I208 C211 D236 F239 W240 Q291 N295Y207-Y213 VanDerWaalsContact CD1-O 3.28Å; Y207-Y213 WeakPolarHBondContact CD1-O 3.45Å; Y207-Y213 AromaticContact CE1-CD2 3.96Å; Y207-Y213 HydrophobicContact CE1-CD2 3.96Å; Y207-Y213 AromaticContact CE1-CE2 3.73Å; Y207-Y213 HydrophobicContact CE1-CE2 3.73Å; Y207-Y213 WeakPolarHBondContact CE1-O 3.42Å; Y207-Y213 AromaticContact CZ-CE2 3.96Å; Y207-Y213 VanDerWaalsContact OH-CE2 3.24Å; Y207-Y213 WeakPolarHBondContact OH-CE2 3.4Å; Y207-Y213 PolarHBondContact OH-OH 2.93Å; I208-Y213 WeakPolarHBondContact CG1-O 3.44Å; C211-Y213 HydrophobicContact CB-CD1 3.85Å; C211-Y213 HydrophobicContact CB-CE1 3.57Å; C211-Y213 WeakPolarHBondContact O-CD1 3.26Å; C211-Y213 PolarHBondContact O-N 3.13Å; C211-Y213 WeakPolarHBondContact SG-CD1 3.42Å; C211-Y213 VanDerWaalsContact SG-CE1 3.51Å; C211-Y213 PolarHBondContact SG-O 3.08Å; C211-Y213 VanDerWaalsContact SG-O 3.32Å; Y213-D236 PolarHBondContact OH-OD2 3.44Å; Y213-F239 HydrophobicContact CE1-CB 3.8Å; Y213-F239 AromaticContact CE1-CD2 3.55Å; Y213-F239 HydrophobicContact CE1-CD2 3.55Å; Y213-F239 HydrophobicContact CE1-CE2 4.31Å; Y213-F239 AromaticContact CE1-CG 3.73Å; Y213-F239 HydrophobicContact CE1-CG 3.73Å; Y213-F239 AromaticContact CZ-CD2 3.98Å; Y213-W240 AromaticContact CZ-NE1 3.77Å; Y213-W240 PolarHBondContact OH-NE1 3.23Å; Y213-Q291 HydrophobicContact CD1-CG 4.42Å; Y213-N295 WeakPolarHBondContact CB-ND2 3.39Å
214P92.1Very high90.2Very high34 Ų3441.4 Ų41.422%0.22120%0.203CC..  trans-72.1144.8-179.729-34.3000112.1I208 F216 Y217I208-P214 HydrophobicContact CD1-CB 4.4Å; I208-P214 HydrophobicContact CG1-CB 4.42Å; P214-F216 PolarHBondContact O-N 3.29Å; P214-Y217 HydrophobicContact CG-CD2 4.35Å
215P93.4Very high89.7Confident12 Ų1244.5 Ų44.58%0.07822%0.217CC..SBendtrans-65.9-21.6179.825-32.5000113.2V204 Y207 Y233 M255V204-P215 HydrophobicContact CB-CG 4.43Å; V204-P215 HydrophobicContact CG1-CG 3.95Å; V204-P215 HydrophobicContact CG2-CG 4.24Å; Y207-P215 HydrophobicContact CD1-CB 3.77Å; Y207-P215 HydrophobicContact CD1-CG 4.1Å; Y207-P215 HydrophobicContact CD2-CB 3.83Å; Y207-P215 HydrophobicContact CE1-CB 3.87Å; Y207-P215 HydrophobicContact CE2-CB 3.93Å; Y207-P215 HydrophobicContact CG-CB 3.77Å; Y207-P215 HydrophobicContact CG-CG 4.07Å; P215-Y233 HydrophobicContact CB-CG 4.33Å; P215-M255 HydrophobicContact CB-CE 4.02Å; P215-M255 HydrophobicContact CG-CE 3.76Å; P215-M255 HydrophobicContact CG-SD 4.32Å
216F90.3Very high89.5Confident5 Ų546.9 Ų46.92%0.02223%0.234CC..  trans-122110.1177.5-46.1-70.9000109W200 V204 P214 L224 K227 I228 Q232 Y233 M255W200-F216 HydrophobicContact CH2-CE2 4.42Å; W200-F216 AromaticContact CH2-CZ 3.97Å; W200-F216 HydrophobicContact CH2-CZ 3.97Å; W200-F216 AromaticContact CZ2-CE2 3.56Å; W200-F216 HydrophobicContact CZ2-CE2 3.56Å; W200-F216 AromaticContact CZ2-CZ 3.54Å; W200-F216 HydrophobicContact CZ2-CZ 3.54Å; V204-F216 HydrophobicContact CG2-CE2 4.34Å; P214-F216 PolarHBondContact O-N 3.29Å; F216-L224 HydrophobicContact CB-CD1 3.55Å; F216-L224 WeakPolarHBondContact O-CD1 3.18Å; F216-K227 HydrophobicContact CD1-CB 4.15Å; F216-I228 HydrophobicContact CB-CG1 3.98Å; F216-I228 HydrophobicContact CD1-CG1 4.13Å; F216-I228 HydrophobicContact CD2-CD1 4.46Å; F216-I228 HydrophobicContact CD2-CG1 3.67Å; F216-I228 HydrophobicContact CE2-CG1 4.14Å; F216-I228 HydrophobicContact CG-CG1 3.65Å; F216-Q232 WeakPolarHBondContact CE1-O 3.33Å; F216-Y233 AromaticContact CE1-CD1 3.94Å; F216-Y233 HydrophobicContact CE1-CD1 3.94Å; F216-Y233 HydrophobicContact CE1-CG 4.36Å; F216-Y233 AromaticContact CZ-CD1 3.87Å; F216-Y233 HydrophobicContact CZ-CD1 3.87Å; F216-Y233 HydrophobicContact CZ-CG 4.47Å; F216-M255 HydrophobicContact CD2-CE 4.46Å; F216-M255 HydrophobicContact CE1-CE 4.48Å; F216-M255 HydrophobicContact CE2-CE 3.34Å; F216-M255 HydrophobicContact CZ-CE 3.35Å
217Y81.8Confident89.1Confident108 Ų10849.8 Ų49.842%0.42425%0.247SC..  trans-136.1126.4173.5-171.7-88.8000109.5P214 K302P214-Y217 HydrophobicContact CG-CD2 4.35Å; Y217-K302 PolarHBondContact OH-NZ 3.17Å
218E84.4Confident88.8Confident45 Ų4549.7 Ų49.721%0.2125%0.246CC..  trans-147.5156179.5-73.9-65.3152.600109.7T220 R223 L224 K227E218-T220 VanDerWaalsContact C-N 3.3Å; E218-T220 PolarHBondContact O-N 3.48Å; E218-R223 HydrophobicContact CB-CB 3.88Å; E218-R223 HydrophobicContact CG-CB 3.8Å; E218-L224 HydrophobicContact CB-CB 4.1Å; E218-K227 HydrophobicContact CG-CD 4.02Å; E218-K227 WeakPolarHBondContact OE1-CD 3.28Å; E218-K227 WeakPolarHBondContact OE1-CE 3.38Å; E218-K227 IonicContact OE1-NZ 3.16Å; E218-K227 PolarHBondContact OE1-NZ 3.02Å
219D79.4Confident88.5Confident140 Ų14052.8 Ų52.875%0.74926%0.261SS*.SBendtrans-73.5-23179.4-64.6-39.8000113
220T81.8Confident88.4Confident65 Ų6558.8 Ų58.840%0.39929%0.287SS..SBendtrans-124.4141.9179.570.10000111.5E218 T222 R223 L224E218-T220 VanDerWaalsContact C-N 3.3Å; E218-T220 PolarHBondContact O-N 3.48Å; T220-T222 VanDerWaalsContact C-N 3.26Å; T220-T222 PolarHBondContact O-N 3.25Å; T220-R223 PolarHBondContact O-N 3.12Å; T220-R223 VanDerWaalsContact O-N 3.14Å; T220-R223 WeakPolarHBondContact OG1-CB 3.37Å; T220-R223 VanDerWaalsContact OG1-CG 3.3Å; T220-R223 WeakPolarHBondContact OG1-CG 3.48Å; T220-R223 PolarHBondContact OG1-N 3.28Å; T220-L224 PolarHBondContact O-N 3.48Å
221E80.4Confident88.2Confident132 Ų13259.7 Ų59.762%0.61730%0.295SS*.Hα-helixtrans-58.7-38.3178.2-67.7-172.5165.600112R223 L224 F225E221-R223 VanDerWaalsContact C-N 3.31Å; E221-R223 PolarHBondContact O-N 3.37Å; E221-L224 WeakPolarHBondContact O-CB 3.42Å; E221-L224 PolarHBondContact O-N 2.99Å; E221-F225 HydrophobicContact CB-CD2 4.34Å; E221-F225 HydrophobicContact CB-CE2 3.91Å; E221-F225 HydrophobicContact CB-CZ 4.37Å; E221-F225 WeakPolarHBondContact O-CB 3.44Å; E221-F225 WeakPolarHBondContact O-CD2 3.36Å; E221-F225 WeakPolarHBondContact O-CG 3.4Å; E221-F225 PolarHBondContact O-N 3.29Å
222T82.6Confident88.2Confident114 Ų11464 Ų6470%0.69932%0.315SS*.Hα-helixtrans-59.4-41.4177.4-48.40000112.3T220 S226T220-T222 VanDerWaalsContact C-N 3.26Å; T220-T222 PolarHBondContact O-N 3.25Å; T222-S226 WeakPolarHBondContact O-CB 3.38Å; T222-S226 PolarHBondContact O-N 2.84Å
223R87.6Confident88.4Confident154 Ų15466 Ų6658%0.58132%0.323SS*.Hα-helixtrans-71.9-41.8176.7-72.6-179.9-179-169.52111.3E218 T220 E221 F225 S226 K227E218-R223 HydrophobicContact CB-CB 3.88Å; E218-R223 HydrophobicContact CG-CB 3.8Å; T220-R223 PolarHBondContact O-N 3.12Å; T220-R223 VanDerWaalsContact O-N 3.14Å; T220-R223 WeakPolarHBondContact OG1-CB 3.37Å; T220-R223 VanDerWaalsContact OG1-CG 3.3Å; T220-R223 WeakPolarHBondContact OG1-CG 3.48Å; T220-R223 PolarHBondContact OG1-N 3.28Å; E221-R223 VanDerWaalsContact C-N 3.31Å; E221-R223 PolarHBondContact O-N 3.37Å; R223-F225 PolarHBondContact O-N 2.9Å; R223-S226 WeakPolarHBondContact O-CB 3.46Å; R223-S226 PolarHBondContact O-N 3.34Å; R223-S226 VanDerWaalsContact O-N 3.15Å; R223-K227 PolarHBondContact O-N 3.4Å
224L86.3Confident88.6Confident24 Ų2470.2 Ų70.213%0.12634%0.344CS..Hα-helixtrans-54.6-53.1174.7178.864.5000110.7P180 F216 E218 T220 E221 S226 K227 I228P180-L224 HydrophobicContact CB-CD2 4.19Å; F216-L224 HydrophobicContact CB-CD1 3.55Å; F216-L224 WeakPolarHBondContact O-CD1 3.18Å; E218-L224 HydrophobicContact CB-CB 4.1Å; T220-L224 PolarHBondContact O-N 3.48Å; E221-L224 WeakPolarHBondContact O-CB 3.42Å; E221-L224 PolarHBondContact O-N 2.99Å; L224-S226 VanDerWaalsContact C-N 3.31Å; L224-S226 PolarHBondContact O-N 3.36Å; L224-K227 PolarHBondContact O-N 3.02Å; L224-I228 HydrophobicContact CD1-CD1 4.15Å; L224-I228 HydrophobicContact CG-CD1 3.94Å; L224-I228 WeakPolarHBondContact O-CG1 3.44Å; L224-I228 PolarHBondContact O-N 3.02Å
225F86.3Confident88.8Confident65 Ų6570.6 Ų70.629%0.28534%0.342SS..Hα-helixtrans-61.5-38.4177.4-63.7-35.3000112.1P180 L188 E221 R223 K227 I228 M229P180-F225 HydrophobicContact CB-CE1 3.85Å; P180-F225 HydrophobicContact CB-CZ 4.35Å; P180-F225 HydrophobicContact CG-CE1 4.46Å; L188-F225 HydrophobicContact CD1-CB 4.31Å; L188-F225 HydrophobicContact CD1-CD1 3.7Å; L188-F225 HydrophobicContact CD1-CE1 4.46Å; L188-F225 HydrophobicContact CD1-CG 4.34Å; L188-F225 HydrophobicContact CD2-CD1 3.91Å; L188-F225 HydrophobicContact CD2-CE1 3.92Å; L188-F225 HydrophobicContact CG-CD1 4.47Å; E221-F225 HydrophobicContact CB-CD2 4.34Å; E221-F225 HydrophobicContact CB-CE2 3.91Å; E221-F225 HydrophobicContact CB-CZ 4.37Å; E221-F225 WeakPolarHBondContact O-CB 3.44Å; E221-F225 WeakPolarHBondContact O-CD2 3.36Å; E221-F225 WeakPolarHBondContact O-CG 3.4Å; E221-F225 PolarHBondContact O-N 3.29Å; R223-F225 PolarHBondContact O-N 2.9Å; F225-K227 PolarHBondContact O-N 2.98Å; F225-I228 HydrophobicContact CD1-CD1 4.48Å; F225-I228 PolarHBondContact O-N 3.45Å; F225-M229 VanDerWaalsContact O-CB 3.23Å; F225-M229 WeakPolarHBondContact O-CB 3.4Å; F225-M229 WeakPolarHBondContact O-CG 3.19Å; F225-M229 PolarHBondContact O-N 3.28Å
226S89.7Confident88.9Confident52 Ų5273 Ų7336%0.36435%0.354SS..Hα-helixtrans-60.5-44.8175.2-163.10000112.1T222 R223 L224 M229 K230T222-S226 WeakPolarHBondContact O-CB 3.38Å; T222-S226 PolarHBondContact O-N 2.84Å; R223-S226 WeakPolarHBondContact O-CB 3.46Å; R223-S226 PolarHBondContact O-N 3.34Å; R223-S226 VanDerWaalsContact O-N 3.15Å; L224-S226 VanDerWaalsContact C-N 3.31Å; L224-S226 PolarHBondContact O-N 3.36Å; S226-M229 PolarHBondContact O-N 3.11Å; S226-K230 WeakPolarHBondContact O-CB 3.43Å; S226-K230 WeakPolarHBondContact O-CG 3.45Å; S226-K230 PolarHBondContact O-N 3.39Å; S226-K230 VanDerWaalsContact O-N 3.08Å
227K91.2Very high89Confident60 Ų6076.8 Ų76.826%0.26138%0.381SS..Hα-helixtrans-63.1-46.8176.2-87-168.2167170.80111.9F216 E218 R223 L224 F225 M229 K230 A231 Q232F216-K227 HydrophobicContact CD1-CB 4.15Å; E218-K227 HydrophobicContact CG-CD 4.02Å; E218-K227 WeakPolarHBondContact OE1-CD 3.28Å; E218-K227 WeakPolarHBondContact OE1-CE 3.38Å; E218-K227 IonicContact OE1-NZ 3.16Å; E218-K227 PolarHBondContact OE1-NZ 3.02Å; R223-K227 PolarHBondContact O-N 3.4Å; L224-K227 PolarHBondContact O-N 3.02Å; F225-K227 PolarHBondContact O-N 2.98Å; K227-M229 PolarHBondContact O-N 3.23Å; K227-K230 CarbonylContact O-C 3.51Å; K227-K230 PolarHBondContact O-N 3.24Å; K227-K230 VanDerWaalsContact O-N 3.16Å; K227-A231 PolarHBondContact O-N 3.24Å; K227-Q232 HydrophobicContact CG-CB 4.38Å; K227-Q232 PolarHBondContact O-N 2.84Å
228I90.7Very high89.7Confident0 Ų075.7 Ų75.70%039%0.388CS..Hα-helixtrans-59.1-49.3176.9-64.9165.7000110P180 V183 P185 L188 W200 F216 L224 F225 K230 A231P180-I228 WeakPolarHBondContact O-CD1 3.4Å; V183-I228 WeakPolarHBondContact O-CG2 3.26Å; P185-I228 HydrophobicContact CG-CG2 4.38Å; P185-I228 WeakPolarHBondContact CG-O 3.38Å; L188-I228 HydrophobicContact CD1-CB 3.89Å; L188-I228 HydrophobicContact CD1-CD1 4.22Å; L188-I228 HydrophobicContact CD1-CG2 3.56Å; W200-I228 HydrophobicContact CZ2-CG2 4.14Å; F216-I228 HydrophobicContact CB-CG1 3.98Å; F216-I228 HydrophobicContact CD1-CG1 4.13Å; F216-I228 HydrophobicContact CD2-CD1 4.46Å; F216-I228 HydrophobicContact CD2-CG1 3.67Å; F216-I228 HydrophobicContact CE2-CG1 4.14Å; F216-I228 HydrophobicContact CG-CG1 3.65Å; L224-I228 HydrophobicContact CD1-CD1 4.15Å; L224-I228 HydrophobicContact CG-CD1 3.94Å; L224-I228 WeakPolarHBondContact O-CG1 3.44Å; L224-I228 PolarHBondContact O-N 3.02Å; F225-I228 HydrophobicContact CD1-CD1 4.48Å; F225-I228 PolarHBondContact O-N 3.45Å; I228-K230 PolarHBondContact O-N 2.79Å; I228-K230 VanDerWaalsContact O-N 3.14Å; I228-A231 WeakPolarHBondContact O-CA 3.49Å; I228-A231 PolarHBondContact O-N 3.34Å
229M89.1Confident90.1Very high69 Ų6976.3 Ų76.334%0.3439%0.39SS..Hα-helixtrans-59.9-26.9179-76.3-66.8-74.700113.8P185 L188 A189 F225 S226 K227 K257P185-M229 HydrophobicContact CB-SD 4.3Å; L188-M229 HydrophobicContact CB-CG 4.39Å; L188-M229 HydrophobicContact CB-SD 3.83Å; L188-M229 HydrophobicContact CD1-CG 4.41Å; A189-M229 HydrophobicContact CB-CE 3.75Å; A189-M229 HydrophobicContact CB-SD 4.18Å; F225-M229 VanDerWaalsContact O-CB 3.23Å; F225-M229 WeakPolarHBondContact O-CB 3.4Å; F225-M229 WeakPolarHBondContact O-CG 3.19Å; F225-M229 PolarHBondContact O-N 3.28Å; S226-M229 PolarHBondContact O-N 3.11Å; K227-M229 PolarHBondContact O-N 3.23Å; M229-K257 WeakPolarHBondContact O-CE 3.43Å; M229-K257 PolarHBondContact O-NZ 2.93Å
230K92.9Very high91Very high126 Ų12669.6 Ų69.655%0.54835%0.354SS..Hα-helixtrans-90.7-8174.4-69.1172.4-177173.10113.1S226 K227 I228 Q232S226-K230 WeakPolarHBondContact O-CB 3.43Å; S226-K230 WeakPolarHBondContact O-CG 3.45Å; S226-K230 PolarHBondContact O-N 3.39Å; S226-K230 VanDerWaalsContact O-N 3.08Å; K227-K230 CarbonylContact O-C 3.51Å; K227-K230 PolarHBondContact O-N 3.24Å; K227-K230 VanDerWaalsContact O-N 3.16Å; I228-K230 PolarHBondContact O-N 2.79Å; I228-K230 VanDerWaalsContact O-N 3.14Å; K230-Q232 HydrophobicContact CB-CB 4.1Å; K230-Q232 PolarHBondContact O-N 3.4Å
231A94.3Very high91.7Very high20 Ų2070.9 Ų70.917%0.16536%0.358CS..THydrogen-bonded Turntrans50.241.8-166.700000111.8W200 K227 I228 Y233 K257W200-A231 HydrophobicContact CH2-CB 3.78Å; W200-A231 HydrophobicContact CZ3-CB 4.17Å; K227-A231 PolarHBondContact O-N 3.24Å; I228-A231 WeakPolarHBondContact O-CA 3.49Å; I228-A231 PolarHBondContact O-N 3.34Å; A231-Y233 WeakPolarHBondContact O-CD1 3.4Å; A231-Y233 PolarHBondContact O-N 3.07Å; A231-K257 HydrophobicContact CB-CB 3.78Å; A231-K257 HydrophobicContact CB-CG 4.4Å
232Q94.1Very high92.4Very high91 Ų9168.9 Ų68.943%0.42535%0.352SS..  trans-9296.1-176.8-173.2178.75.500110F216 K227 K230F216-Q232 WeakPolarHBondContact CE1-O 3.33Å; K227-Q232 HydrophobicContact CG-CB 4.38Å; K227-Q232 PolarHBondContact O-N 2.84Å; K230-Q232 HydrophobicContact CB-CB 4.1Å; K230-Q232 PolarHBondContact O-N 3.4Å
233Y95.6Very high93.1Very high41 Ų4163.7 Ų63.716%0.16132%0.32CS..  trans-136.1158.3171.862.2-85.7000109Y207 P215 F216 A231 F235 I251 R252 M255Y207-Y233 HydrophobicContact CD2-CD2 4.46Å; Y207-Y233 HydrophobicContact CE2-CD2 4.21Å; P215-Y233 HydrophobicContact CB-CG 4.33Å; F216-Y233 AromaticContact CE1-CD1 3.94Å; F216-Y233 HydrophobicContact CE1-CD1 3.94Å; F216-Y233 HydrophobicContact CE1-CG 4.36Å; F216-Y233 AromaticContact CZ-CD1 3.87Å; F216-Y233 HydrophobicContact CZ-CD1 3.87Å; F216-Y233 HydrophobicContact CZ-CG 4.47Å; A231-Y233 WeakPolarHBondContact O-CD1 3.4Å; A231-Y233 PolarHBondContact O-N 3.07Å; Y233-F235 HydrophobicContact CD2-CZ 4.47Å; Y233-F235 HydrophobicContact CE2-CE1 4.39Å; Y233-F235 HydrophobicContact CE2-CE2 4.18Å; Y233-F235 AromaticContact CE2-CZ 3.84Å; Y233-F235 HydrophobicContact CE2-CZ 3.84Å; Y233-I251 HydrophobicContact CE2-CG2 4.22Å; Y233-R252 WeakPolarHBondContact OH-CA 3.24Å; Y233-M255 HydrophobicContact CD1-CE 3.77Å; Y233-M255 HydrophobicContact CE1-CB 3.85Å; Y233-M255 HydrophobicContact CE1-CE 3.93Å; Y233-M255 HydrophobicContact CG-CE 4.18Å
234E95.6Very high93.6Very high118 Ų11856.6 Ų56.655%0.55129%0.294SS*.  trans-131.9162.6-176.1-67.1178.9-16000110.1Y207 D236Y207-E234 WeakPolarHBondContact CE2-O 3.39Å; Y207-E234 PolarHBondContact OH-O 2.78Å; E234-D236 WeakPolarHBondContact CB-OD1 3.41Å
235F97.5Very high94.2Very high41 Ų4160.5 Ų60.518%0.1831%0.311CS..  trans-107.477.2175.2-62.1-65.9000107.8Y207 Y233 W240 K248 I251 R252Y207-F235 HydrophobicContact CD2-CD1 4.31Å; Y207-F235 AromaticContact CD2-CE1 3.94Å; Y207-F235 HydrophobicContact CD2-CE1 3.94Å; Y207-F235 AromaticContact CE2-CD1 3.82Å; Y207-F235 HydrophobicContact CE2-CD1 3.82Å; Y207-F235 AromaticContact CE2-CE1 3.89Å; Y207-F235 HydrophobicContact CE2-CE1 3.89Å; Y233-F235 HydrophobicContact CD2-CZ 4.47Å; Y233-F235 HydrophobicContact CE2-CE1 4.39Å; Y233-F235 HydrophobicContact CE2-CE2 4.18Å; Y233-F235 AromaticContact CE2-CZ 3.84Å; Y233-F235 HydrophobicContact CE2-CZ 3.84Å; F235-W240 VanDerWaalsContact C-CD1 3.49Å; F235-W240 HydrophobicContact CB-CB 3.86Å; F235-W240 HydrophobicContact CB-CD2 3.93Å; F235-W240 HydrophobicContact CB-CE3 4.26Å; F235-W240 HydrophobicContact CB-CG 3.72Å; F235-W240 AromaticContact CD1-CD2 3.5Å; F235-W240 HydrophobicContact CD1-CD2 3.5Å; F235-W240 VanDerWaalsContact CD1-CD2 3.5Å; F235-W240 AromaticContact CD1-CE2 3.68Å; F235-W240 AromaticContact CD1-CE3 3.4Å; F235-W240 HydrophobicContact CD1-CE3 3.4Å; F235-W240 VanDerWaalsContact CD1-CE3 3.4Å; F235-W240 HydrophobicContact CD1-CG 4.22Å; F235-W240 AromaticContact CD1-CH2 3.76Å; F235-W240 HydrophobicContact CD1-CH2 3.76Å; F235-W240 AromaticContact CD1-CZ2 3.83Å; F235-W240 HydrophobicContact CD1-CZ2 3.83Å; F235-W240 AromaticContact CD1-CZ3 3.53Å; F235-W240 HydrophobicContact CD1-CZ3 3.53Å; F235-W240 HydrophobicContact CE1-CD2 4.46Å; F235-W240 HydrophobicContact CE1-CE3 4.05Å; F235-W240 AromaticContact CE1-CH2 3.79Å; F235-W240 HydrophobicContact CE1-CH2 3.79Å; F235-W240 HydrophobicContact CE1-CZ2 4.18Å; F235-W240 AromaticContact CE1-CZ3 3.69Å; F235-W240 HydrophobicContact CE1-CZ3 3.69Å; F235-W240 HydrophobicContact CG-CD2 4.16Å; F235-W240 HydrophobicContact CG-CE3 4.16Å; F235-W240 HydrophobicContact CG-CG 4.47Å; F235-K248 HydrophobicContact CB-CD 4.31Å; F235-K248 HydrophobicContact CD1-CG 4.06Å; F235-K248 HydrophobicContact CD2-CB 4.2Å; F235-K248 HydrophobicContact CD2-CD 4.2Å; F235-K248 HydrophobicContact CD2-CG 4.13Å; F235-K248 HydrophobicContact CE1-CB 4.29Å; F235-K248 HydrophobicContact CE1-CG 4.13Å; F235-K248 HydrophobicContact CE2-CB 3.86Å; F235-K248 HydrophobicContact CE2-CG 4.22Å; F235-K248 HydrophobicContact CG-CD 4.13Å; F235-K248 HydrophobicContact CG-CG 4.04Å; F235-K248 HydrophobicContact CZ-CB 3.89Å; F235-K248 HydrophobicContact CZ-CG 4.2Å; F235-I251 HydrophobicContact CE1-CB 4.3Å; F235-I251 HydrophobicContact CE1-CD1 4.11Å; F235-I251 HydrophobicContact CE1-CG2 4.06Å; F235-I251 HydrophobicContact CZ-CB 4.12Å; F235-I251 HydrophobicContact CZ-CG2 3.96Å; F235-R252 HydrophobicContact CE2-CG 3.98Å; F235-R252 HydrophobicContact CZ-CG 4.22Å
236D94.3Very high94.8Very high62 Ų6258.6 Ų58.633%0.33231%0.306SS..  trans-69.9138.4-166.6-48.2-65.3000113.5Y213 E234 F239 W240Y213-D236 PolarHBondContact OH-OD2 3.44Å; E234-D236 WeakPolarHBondContact CB-OD1 3.41Å; D236-F239 PolarHBondContact O-N 3.06Å; D236-F239 VanDerWaalsContact O-N 3.1Å; D236-W240 VanDerWaalsContact N-CD1 3.32Å; D236-W240 PolarHBondContact O-N 3.31Å; D236-W240 VanDerWaalsContact O-N 3.09Å
237S93.8Very high95.2Very high85 Ų8556.1 Ų56.159%0.59429%0.289SS*.THydrogen-bonded Turntrans-70.7145.3164.6-59.40000110.6D241S237-D241 WeakPolarHBondContact CA-OD1 3.11Å; S237-D241 VanDerWaalsContact CB-OD1 3.26Å; S237-D241 WeakPolarHBondContact CB-OD1 3.11Å; S237-D241 PolarHBondContact OG-OD1 3.17Å
238P95Very high95.5Very high85 Ų8554.6 Ų54.655%0.55228%0.282SS*.THydrogen-bonded Turncis-88.2-4.11.435.3-35.6000113.9W240 D241P238-W240 VanDerWaalsContact C-N 3.25Å; P238-W240 PolarHBondContact O-N 3.04Å; P238-D241 WeakPolarHBondContact CA-OD2 3.43Å; P238-D241 PolarHBondContact O-N 3.19Å
239F94.4Very high95.9Very high58 Ų5857.8 Ų57.825%0.25430%0.299SS..THydrogen-bonded Turntrans-66-27.3-166.7-49.1-64.5000113.8C211 Y213 D236 Q291C211-F239 HydrophobicContact CB-CB 4.39Å; Y213-F239 HydrophobicContact CE1-CB 3.8Å; Y213-F239 AromaticContact CE1-CD2 3.55Å; Y213-F239 HydrophobicContact CE1-CD2 3.55Å; Y213-F239 HydrophobicContact CE1-CE2 4.31Å; Y213-F239 AromaticContact CE1-CG 3.73Å; Y213-F239 HydrophobicContact CE1-CG 3.73Å; Y213-F239 AromaticContact CZ-CD2 3.98Å; D236-F239 PolarHBondContact O-N 3.06Å; D236-F239 VanDerWaalsContact O-N 3.1Å; F239-Q291 HydrophobicContact CD1-CG 4.23Å; F239-Q291 HydrophobicContact CE1-CG 4.21Å
240W97.6Very high96.4Very high0 Ų054.5 Ų54.50%028%0.283CS..THydrogen-bonded Turntrans-106.42.7-176.8-73.190.2000114.3Y207 L210 C211 Y213 F235 D236 P238 D242 I243 K248 I251Y207-W240 AromaticContact CD1-CZ2 3.85Å; Y207-W240 HydrophobicContact CD1-CZ2 3.85Å; Y207-W240 AromaticContact CD2-CH2 3.83Å; Y207-W240 HydrophobicContact CD2-CH2 3.83Å; Y207-W240 AromaticContact CD2-CZ2 3.44Å; Y207-W240 HydrophobicContact CD2-CZ2 3.44Å; Y207-W240 VanDerWaalsContact CD2-CZ2 3.44Å; Y207-W240 AromaticContact CE1-CZ2 3.78Å; Y207-W240 HydrophobicContact CE1-CZ2 3.78Å; Y207-W240 AromaticContact CE2-CE2 3.84Å; Y207-W240 HydrophobicContact CE2-CH2 4.12Å; Y207-W240 AromaticContact CE2-CZ2 3.37Å; Y207-W240 HydrophobicContact CE2-CZ2 3.37Å; Y207-W240 HydrophobicContact CG-CH2 4.12Å; Y207-W240 AromaticContact CG-CZ2 3.68Å; Y207-W240 HydrophobicContact CG-CZ2 3.68Å; Y207-W240 AromaticContact CZ-CE2 3.78Å; Y207-W240 AromaticContact CZ-CZ2 3.53Å; Y207-W240 AromaticContact CZ-NE1 3.58Å; Y207-W240 PolarHBondContact OH-NE1 3.44Å; L210-W240 HydrophobicContact CB-CH2 3.88Å; L210-W240 HydrophobicContact CB-CZ3 4.17Å; L210-W240 HydrophobicContact CD1-CH2 4.3Å; L210-W240 HydrophobicContact CD1-CZ3 4.17Å; C211-W240 HydrophobicContact CB-CZ2 3.76Å; Y213-W240 AromaticContact CZ-NE1 3.77Å; Y213-W240 PolarHBondContact OH-NE1 3.23Å; F235-W240 VanDerWaalsContact C-CD1 3.49Å; F235-W240 HydrophobicContact CB-CB 3.86Å; F235-W240 HydrophobicContact CB-CD2 3.93Å; F235-W240 HydrophobicContact CB-CE3 4.26Å; F235-W240 HydrophobicContact CB-CG 3.72Å; F235-W240 AromaticContact CD1-CD2 3.5Å; F235-W240 HydrophobicContact CD1-CD2 3.5Å; F235-W240 VanDerWaalsContact CD1-CD2 3.5Å; F235-W240 AromaticContact CD1-CE2 3.68Å; F235-W240 AromaticContact CD1-CE3 3.4Å; F235-W240 HydrophobicContact CD1-CE3 3.4Å; F235-W240 VanDerWaalsContact CD1-CE3 3.4Å; F235-W240 HydrophobicContact CD1-CG 4.22Å; F235-W240 AromaticContact CD1-CH2 3.76Å; F235-W240 HydrophobicContact CD1-CH2 3.76Å; F235-W240 AromaticContact CD1-CZ2 3.83Å; F235-W240 HydrophobicContact CD1-CZ2 3.83Å; F235-W240 AromaticContact CD1-CZ3 3.53Å; F235-W240 HydrophobicContact CD1-CZ3 3.53Å; F235-W240 HydrophobicContact CE1-CD2 4.46Å; F235-W240 HydrophobicContact CE1-CE3 4.05Å; F235-W240 AromaticContact CE1-CH2 3.79Å; F235-W240 HydrophobicContact CE1-CH2 3.79Å; F235-W240 HydrophobicContact CE1-CZ2 4.18Å; F235-W240 AromaticContact CE1-CZ3 3.69Å; F235-W240 HydrophobicContact CE1-CZ3 3.69Å; F235-W240 HydrophobicContact CG-CD2 4.16Å; F235-W240 HydrophobicContact CG-CE3 4.16Å; F235-W240 HydrophobicContact CG-CG 4.47Å; D236-W240 VanDerWaalsContact N-CD1 3.32Å; D236-W240 PolarHBondContact O-N 3.31Å; D236-W240 VanDerWaalsContact O-N 3.09Å; P238-W240 VanDerWaalsContact C-N 3.25Å; P238-W240 PolarHBondContact O-N 3.04Å; W240-D242 PolarHBondContact O-N 3.24Å; W240-I243 HydrophobicContact CD2-CG1 4.45Å; W240-I243 HydrophobicContact CE3-CB 3.77Å; W240-I243 HydrophobicContact CE3-CG1 3.95Å; W240-I243 HydrophobicContact CE3-CG2 3.64Å; W240-I243 HydrophobicContact CZ3-CB 4.31Å; W240-I243 HydrophobicContact CZ3-CG1 4.49Å; W240-I243 HydrophobicContact CZ3-CG2 3.69Å; W240-I243 PolarHBondContact O-N 3.11Å; W240-K248 HydrophobicContact CE3-CG 3.97Å; W240-K248 HydrophobicContact CZ3-CG 4.16Å; W240-K248 VanDerWaalsContact O-CE 3.24Å; W240-K248 WeakPolarHBondContact O-CE 3.3Å; W240-K248 PolarHBondContact O-NZ 3.36Å; W240-I251 HydrophobicContact CH2-CD1 3.47Å; W240-I251 VanDerWaalsContact CH2-CD1 3.47Å; W240-I251 HydrophobicContact CZ3-CD1 3.84Å
241D95.8Very high96.7Very high91 Ų9148.5 Ų48.549%0.48726%0.257SS..THydrogen-bonded Turntrans-65.9-41-174.7-67.9-7.6000111.2S237 P238 I243S237-D241 WeakPolarHBondContact CA-OD1 3.11Å; S237-D241 VanDerWaalsContact CB-OD1 3.26Å; S237-D241 WeakPolarHBondContact CB-OD1 3.11Å; S237-D241 PolarHBondContact OG-OD1 3.17Å; P238-D241 WeakPolarHBondContact CA-OD2 3.43Å; P238-D241 PolarHBondContact O-N 3.19Å; D241-I243 VanDerWaalsContact C-N 3.35Å
242D95Very high96.9Very high91 Ų9151.7 Ų51.749%0.48727%0.265SS..SBendtrans-85.1-6.5178.9-68.7-48.1000113.9W240 R280W240-D242 PolarHBondContact O-N 3.24Å; D242-R280 PolarHBondContact O-NH1 2.85Å
243I98Very high97.1Very high5 Ų549.4 Ų49.43%0.02626%0.255CS..SBendtrans-82.8132.7-179.6-55.7-60.8000110.7E114 L210 W240 D241 A247 K248 I284E114-I243 HydrophobicContact CG-CD1 4.3Å; E114-I243 WeakPolarHBondContact OE1-CA 3.34Å; L210-I243 HydrophobicContact CB-CD1 4.38Å; L210-I243 HydrophobicContact CD1-CG2 4.11Å; W240-I243 HydrophobicContact CD2-CG1 4.45Å; W240-I243 HydrophobicContact CE3-CB 3.77Å; W240-I243 HydrophobicContact CE3-CG1 3.95Å; W240-I243 HydrophobicContact CE3-CG2 3.64Å; W240-I243 HydrophobicContact CZ3-CB 4.31Å; W240-I243 HydrophobicContact CZ3-CG1 4.49Å; W240-I243 HydrophobicContact CZ3-CG2 3.69Å; W240-I243 PolarHBondContact O-N 3.11Å; D241-I243 VanDerWaalsContact C-N 3.35Å; I243-A247 HydrophobicContact CG2-CB 3.81Å; I243-K248 WeakPolarHBondContact O-CE 3.4Å; I243-K248 PolarHBondContact O-NZ 3.42Å; I243-I284 HydrophobicContact CD1-CD1 3.82Å; I243-I284 HydrophobicContact CD1-CG2 4.1Å
244S98.3Very high97.2Very high5 Ų547.4 Ų47.44%0.03525%0.247CC..  trans-60.5144.2-176.776.40000112.7E114 S246 A247 K248E114-S244 WeakPolarHBondContact OE1-CB 3.43Å; E114-S244 PolarHBondContact OE1-N 3Å; E114-S244 WeakPolarHBondContact OE2-CB 3.43Å; E114-S244 PolarHBondContact OE2-OG 3.4Å; S244-S246 PolarHBondContact O-N 2.86Å; S244-A247 WeakPolarHBondContact O-CB 3.41Å; S244-A247 PolarHBondContact O-N 2.83Å; S244-A247 VanDerWaalsContact O-N 3.1Å; S244-A247 WeakPolarHBondContact OG-CB 3.34Å; S244-A247 PolarHBondContact OG-N 2.88Å; S244-A247 VanDerWaalsContact OG-N 3.08Å; S244-K248 PolarHBondContact O-N 2.68Å
245E98.3Very high97.3Very high106 Ų10641.9 Ų41.950%0.49522%0.222SC..Hα-helixtrans-61.7-27.9173.6-170.153-138.100111.6K248 D249 R252E245-K248 PolarHBondContact O-N 3.36Å; E245-D249 WeakPolarHBondContact O-CB 3.1Å; E245-D249 PolarHBondContact O-N 3.08Å; E245-R252 IonicContact OE1-CZ 2.71Å; E245-R252 IonicContact OE1-NH1 2.66Å; E245-R252 PolarHBondContact OE1-NH1 3.13Å; E245-R252 IonicContact OE1-NH2 2.91Å; E245-R252 PolarHBondContact OE1-NH2 3.37Å; E245-R252 IonicContact OE2-NH2 2.7Å
246S98.7Very high97.3Very high24 Ų2443.6 Ų43.617%0.16823%0.23CC..Hα-helixtrans-66.2-38.9174.9-164.60000112.3S244 F250 H271 T278S244-S246 PolarHBondContact O-N 2.86Å; S246-F250 WeakPolarHBondContact O-CB 3.48Å; S246-F250 PolarHBondContact O-N 3.34Å; S246-H271 PolarHBondContact O-CE1 3.29Å; S246-H271 VanDerWaalsContact O-CE1 3.28Å; S246-T278 WeakPolarHBondContact CB-OG1 3.43Å; S246-T278 WeakPolarHBondContact OG-CB 3.47Å; S246-T278 PolarHBondContact OG-OG1 3.48Å
247A98.7Very high97.3Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-65.5-43.1173.900000111.7L210 I243 S244 F250 I251 W273L210-A247 HydrophobicContact CD1-CB 3.67Å; I243-A247 HydrophobicContact CG2-CB 3.81Å; S244-A247 WeakPolarHBondContact O-CB 3.41Å; S244-A247 PolarHBondContact O-N 2.83Å; S244-A247 VanDerWaalsContact O-N 3.1Å; S244-A247 WeakPolarHBondContact OG-CB 3.34Å; S244-A247 PolarHBondContact OG-N 2.88Å; S244-A247 VanDerWaalsContact OG-N 3.08Å; A247-F250 WeakPolarHBondContact O-CB 3.21Å; A247-F250 PolarHBondContact O-N 3.23Å; A247-I251 WeakPolarHBondContact O-CG1 3.25Å; A247-I251 PolarHBondContact O-N 3.31Å; A247-W273 HydrophobicContact CB-CD2 4.32Å; A247-W273 HydrophobicContact CB-CG 4.32Å; A247-W273 HydrophobicContact CB-CZ2 4.32Å; A247-W273 VanDerWaalsContact CB-NE1 3.32Å
248K98.8Very high97.3Very high28 Ų2845 Ų4512%0.12223%0.226CC..Hα-helixtrans-62.2-43.8176.7-64.2174.2-173.7172.90111.1F235 W240 I243 S244 E245 I251 R252F235-K248 HydrophobicContact CB-CD 4.31Å; F235-K248 HydrophobicContact CD1-CG 4.06Å; F235-K248 HydrophobicContact CD2-CB 4.2Å; F235-K248 HydrophobicContact CD2-CD 4.2Å; F235-K248 HydrophobicContact CD2-CG 4.13Å; F235-K248 HydrophobicContact CE1-CB 4.29Å; F235-K248 HydrophobicContact CE1-CG 4.13Å; F235-K248 HydrophobicContact CE2-CB 3.86Å; F235-K248 HydrophobicContact CE2-CG 4.22Å; F235-K248 HydrophobicContact CG-CD 4.13Å; F235-K248 HydrophobicContact CG-CG 4.04Å; F235-K248 HydrophobicContact CZ-CB 3.89Å; F235-K248 HydrophobicContact CZ-CG 4.2Å; W240-K248 HydrophobicContact CE3-CG 3.97Å; W240-K248 HydrophobicContact CZ3-CG 4.16Å; W240-K248 VanDerWaalsContact O-CE 3.24Å; W240-K248 WeakPolarHBondContact O-CE 3.3Å; W240-K248 PolarHBondContact O-NZ 3.36Å; I243-K248 WeakPolarHBondContact O-CE 3.4Å; I243-K248 PolarHBondContact O-NZ 3.42Å; S244-K248 PolarHBondContact O-N 2.68Å; E245-K248 PolarHBondContact O-N 3.36Å; K248-I251 PolarHBondContact O-N 3.48Å; K248-R252 WeakPolarHBondContact O-CG 3.5Å; K248-R252 PolarHBondContact O-N 3.44Å
249D98.8Very high97.2Very high67 Ų6743.2 Ų43.236%0.35822%0.215SC..Hα-helixtrans-61.8-44.3175.7-173.162.8000112.4E245 I251 R252 N253 H271E245-D249 WeakPolarHBondContact O-CB 3.1Å; E245-D249 PolarHBondContact O-N 3.08Å; D249-I251 VanDerWaalsContact C-N 3.34Å; D249-I251 PolarHBondContact O-N 3.12Å; D249-R252 PolarHBondContact O-N 3.49Å; D249-N253 PolarHBondContact O-N 3.19Å; D249-N253 VanDerWaalsContact O-N 3.07Å; D249-N253 PolarHBondContact O-ND2 3.02Å; D249-N253 PolarHBondContact OD1-ND2 2.86Å; D249-N253 PolarHBondContact OD2-ND2 3.32Å; D249-H271 IonicContact OD2-NE2 3.81Å; D249-H271 PolarHBondContact OD2-NE2 3.08Å
250F98.8Very high97.1Very high0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-55.2-49.5173.4177.8-98.9000111.5I121 L125 T206 S246 A247 R252 N253 M254 A268 H271 W273 I274I121-F250 HydrophobicContact CG2-CE1 3.99Å; I121-F250 HydrophobicContact CG2-CZ 3.88Å; L125-F250 HydrophobicContact CD1-CE2 4.4Å; L125-F250 HydrophobicContact CD1-CZ 4.08Å; T206-F250 HydrophobicContact CG2-CD1 3.97Å; T206-F250 HydrophobicContact CG2-CE1 3.96Å; S246-F250 WeakPolarHBondContact O-CB 3.48Å; S246-F250 PolarHBondContact O-N 3.34Å; A247-F250 WeakPolarHBondContact O-CB 3.21Å; A247-F250 PolarHBondContact O-N 3.23Å; F250-R252 PolarHBondContact O-N 2.97Å; F250-N253 PolarHBondContact O-N 2.77Å; F250-M254 HydrophobicContact CD1-CG 4.26Å; F250-M254 HydrophobicContact CD2-CG 4.49Å; F250-M254 HydrophobicContact CE1-CG 3.84Å; F250-M254 HydrophobicContact CE2-CG 4.13Å; F250-M254 HydrophobicContact CE2-SD 4.48Å; F250-M254 HydrophobicContact CZ-CE 4.31Å; F250-M254 HydrophobicContact CZ-CG 3.77Å; F250-M254 HydrophobicContact CZ-SD 4.24Å; F250-M254 VanDerWaalsContact O-CG 3.3Å; F250-M254 WeakPolarHBondContact O-CG 3.25Å; F250-M254 PolarHBondContact O-N 3.39Å; F250-A268 HydrophobicContact CE2-CB 3.87Å; F250-A268 HydrophobicContact CZ-CB 4.32Å; F250-H271 HydrophobicContact CD2-CB 3.85Å; F250-H271 AromaticContact CD2-CG 3.7Å; F250-H271 AromaticContact CD2-ND1 3.65Å; F250-H271 HydrophobicContact CE2-CB 4.31Å; F250-W273 HydrophobicContact CB-CB 4.34Å; F250-W273 HydrophobicContact CB-CE3 4.25Å; F250-W273 AromaticContact CD1-CE3 3.69Å; F250-W273 HydrophobicContact CD1-CE3 3.69Å; F250-W273 AromaticContact CD1-CZ3 3.85Å; F250-W273 HydrophobicContact CD1-CZ3 3.85Å; F250-W273 HydrophobicContact CD2-CE3 4.35Å; F250-W273 HydrophobicContact CE1-CE3 4.11Å; F250-W273 AromaticContact CE1-CZ3 3.95Å; F250-W273 HydrophobicContact CE1-CZ3 3.95Å; F250-W273 AromaticContact CG-CE3 3.83Å; F250-W273 HydrophobicContact CG-CE3 3.83Å; F250-W273 HydrophobicContact CG-CZ3 4.44Å; F250-I274 HydrophobicContact CD2-CG1 4.11Å; F250-I274 HydrophobicContact CE2-CD1 4.08Å; F250-I274 HydrophobicContact CE2-CG1 3.61Å; F250-I274 HydrophobicContact CZ-CD1 4.03Å; F250-I274 HydrophobicContact CZ-CG1 4.07Å
251I98.8Very high97Very high0 Ų055.3 Ų55.30%027%0.27CS..Hα-helixtrans-61.3-43.1178.5-69.3166.7000111.2T206 Y207 L210 Y233 F235 W240 A247 K248 D249 N253 M254 M255T206-I251 HydrophobicContact CG2-CD1 4.18Å; T206-I251 HydrophobicContact CG2-CG1 3.88Å; Y207-I251 HydrophobicContact CD2-CD1 4.5Å; Y207-I251 HydrophobicContact CD2-CG2 4.25Å; L210-I251 HydrophobicContact CD1-CD1 4.02Å; Y233-I251 HydrophobicContact CE2-CG2 4.22Å; F235-I251 HydrophobicContact CE1-CB 4.3Å; F235-I251 HydrophobicContact CE1-CD1 4.11Å; F235-I251 HydrophobicContact CE1-CG2 4.06Å; F235-I251 HydrophobicContact CZ-CB 4.12Å; F235-I251 HydrophobicContact CZ-CG2 3.96Å; W240-I251 HydrophobicContact CH2-CD1 3.47Å; W240-I251 VanDerWaalsContact CH2-CD1 3.47Å; W240-I251 HydrophobicContact CZ3-CD1 3.84Å; A247-I251 WeakPolarHBondContact O-CG1 3.25Å; A247-I251 PolarHBondContact O-N 3.31Å; K248-I251 PolarHBondContact O-N 3.48Å; D249-I251 VanDerWaalsContact C-N 3.34Å; D249-I251 PolarHBondContact O-N 3.12Å; I251-N253 VanDerWaalsContact C-N 3.3Å; I251-N253 PolarHBondContact O-N 3.48Å; I251-M254 PolarHBondContact O-N 2.88Å; I251-M255 HydrophobicContact CG2-CG 4.28Å; I251-M255 HydrophobicContact CG2-SD 3.77Å; I251-M255 WeakPolarHBondContact O-CB 3.49Å; I251-M255 PolarHBondContact O-N 3.02Å
252R98.6Very high97.1Very high88 Ų8851.2 Ų51.233%0.33225%0.248SC..Hα-helixtrans-58.4-42.3178.4-71.8-177.8-151.71081.4112.7Y233 F235 E245 K248 D249 F250 M255 Q256Y233-R252 WeakPolarHBondContact OH-CA 3.24Å; F235-R252 HydrophobicContact CE2-CG 3.98Å; F235-R252 HydrophobicContact CZ-CG 4.22Å; E245-R252 IonicContact OE1-CZ 2.71Å; E245-R252 IonicContact OE1-NH1 2.66Å; E245-R252 PolarHBondContact OE1-NH1 3.13Å; E245-R252 IonicContact OE1-NH2 2.91Å; E245-R252 PolarHBondContact OE1-NH2 3.37Å; E245-R252 IonicContact OE2-NH2 2.7Å; K248-R252 WeakPolarHBondContact O-CG 3.5Å; K248-R252 PolarHBondContact O-N 3.44Å; D249-R252 PolarHBondContact O-N 3.49Å; F250-R252 PolarHBondContact O-N 2.97Å; R252-M255 CarbonylContact O-C 3.58Å; R252-Q256 PolarHBondContact O-N 3.42Å
253N98.6Very high97.3Very high42 Ų4248.8 Ų48.823%0.22523%0.233CC..Hα-helixtrans-72.1-32.7179-75.2-70.6000112.8D249 F250 I251 F263D249-N253 PolarHBondContact O-N 3.19Å; D249-N253 VanDerWaalsContact O-N 3.07Å; D249-N253 PolarHBondContact O-ND2 3.02Å; D249-N253 PolarHBondContact OD1-ND2 2.86Å; D249-N253 PolarHBondContact OD2-ND2 3.32Å; F250-N253 PolarHBondContact O-N 2.77Å; I251-N253 VanDerWaalsContact C-N 3.3Å; I251-N253 PolarHBondContact O-N 3.48Å; N253-F263 HydrophobicContact CB-CD1 3.71Å; N253-F263 HydrophobicContact CB-CD2 3.55Å; N253-F263 HydrophobicContact CB-CE1 3.6Å; N253-F263 HydrophobicContact CB-CE2 3.44Å; N253-F263 VanDerWaalsContact CB-CE2 3.44Å; N253-F263 HydrophobicContact CB-CG 3.69Å; N253-F263 HydrophobicContact CB-CZ 3.47Å; N253-F263 VanDerWaalsContact CB-CZ 3.47Å; N253-F263 PolarHBondContact O-N 2.97Å; N253-F263 WeakPolarHBondContact OD1-CE1 3.36Å
254M98.4Very high97.2Very high0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-75.6-38175-68.3-65.5-81.100112.7L125 C199 I202 F250 I251 Q256 R262 F263 A268L125-M254 HydrophobicContact CD2-CE 3.92Å; C199-M254 HydrophobicContact CB-CE 4.09Å; C199-M254 HydrophobicContact CB-SD 4.42Å; C199-M254 VanDerWaalsContact O-CE 3.28Å; C199-M254 WeakPolarHBondContact O-CE 3.29Å; I202-M254 HydrophobicContact CB-CE 3.66Å; I202-M254 HydrophobicContact CD1-CE 4.44Å; I202-M254 HydrophobicContact CG2-CE 3.51Å; F250-M254 HydrophobicContact CD1-CG 4.26Å; F250-M254 HydrophobicContact CD2-CG 4.49Å; F250-M254 HydrophobicContact CE1-CG 3.84Å; F250-M254 HydrophobicContact CE2-CG 4.13Å; F250-M254 HydrophobicContact CE2-SD 4.48Å; F250-M254 HydrophobicContact CZ-CE 4.31Å; F250-M254 HydrophobicContact CZ-CG 3.77Å; F250-M254 HydrophobicContact CZ-SD 4.24Å; F250-M254 VanDerWaalsContact O-CG 3.3Å; F250-M254 WeakPolarHBondContact O-CG 3.25Å; F250-M254 PolarHBondContact O-N 3.39Å; I251-M254 PolarHBondContact O-N 2.88Å; M254-Q256 VanDerWaalsContact C-N 3.3Å; M254-Q256 PolarHBondContact O-N 2.77Å; M254-R262 WeakPolarHBondContact O-CD 3.19Å; M254-R262 WeakPolarHBondContact O-CG 3.43Å; M254-F263 HydrophobicContact SD-CB 3.77Å; M254-A268 HydrophobicContact CE-CB 4.27Å; M254-A268 HydrophobicContact SD-CB 3.64Å
255M97.8Very high97.2Very high2 Ų251.8 Ų51.81%0.0125%0.252CS..THydrogen-bonded Turntrans-9733.6178.3-62.7-177.559.100112.1W200 V204 P215 F216 Y233 I251 R252W200-M255 HydrophobicContact CE3-CB 4.19Å; W200-M255 HydrophobicContact CH2-CB 4.47Å; W200-M255 HydrophobicContact CH2-CE 4.46Å; W200-M255 HydrophobicContact CZ2-CE 4.17Å; W200-M255 VanDerWaalsContact CZ3-C 3.47Å; W200-M255 HydrophobicContact CZ3-CB 4.09Å; W200-M255 WeakPolarHBondContact CZ3-O 3.42Å; V204-M255 HydrophobicContact CG2-CE 3.85Å; V204-M255 HydrophobicContact CG2-SD 4.08Å; P215-M255 HydrophobicContact CB-CE 4.02Å; P215-M255 HydrophobicContact CG-CE 3.76Å; P215-M255 HydrophobicContact CG-SD 4.32Å; F216-M255 HydrophobicContact CD2-CE 4.46Å; F216-M255 HydrophobicContact CE1-CE 4.48Å; F216-M255 HydrophobicContact CE2-CE 3.34Å; F216-M255 HydrophobicContact CZ-CE 3.35Å; Y233-M255 HydrophobicContact CD1-CE 3.77Å; Y233-M255 HydrophobicContact CE1-CB 3.85Å; Y233-M255 HydrophobicContact CE1-CE 3.93Å; Y233-M255 HydrophobicContact CG-CE 4.18Å; I251-M255 HydrophobicContact CG2-CG 4.28Å; I251-M255 HydrophobicContact CG2-SD 3.77Å; I251-M255 WeakPolarHBondContact O-CB 3.49Å; I251-M255 PolarHBondContact O-N 3.02Å; R252-M255 CarbonylContact O-C 3.58Å
256Q97Very high97.2Very high77 Ų7751 Ų5136%0.3625%0.248SC..  trans-73.1129.7175.7177.656.9-4700110.4R252 M254 N258 M261 R262R252-Q256 PolarHBondContact O-N 3.42Å; M254-Q256 VanDerWaalsContact C-N 3.3Å; M254-Q256 PolarHBondContact O-N 2.77Å; Q256-N258 PolarHBondContact O-N 3.24Å; Q256-M261 HydrophobicContact CG-CB 3.73Å; Q256-R262 HydrophobicContact CB-CB 4.07Å; Q256-R262 HydrophobicContact CB-CG 4.3Å; Q256-R262 PolarHBondContact O-NE 3.42Å; Q256-R262 PolarHBondContact O-NH2 3.49Å
257K94.4Very high97.1Very high101 Ų10154.3 Ų54.344%0.43926%0.261SS..SBendtrans-61.3-43.9-175179.1172.9169.3164.80112.5M229 A231 P259 R262M229-K257 WeakPolarHBondContact O-CE 3.43Å; M229-K257 PolarHBondContact O-NZ 2.93Å; A231-K257 HydrophobicContact CB-CB 3.78Å; A231-K257 HydrophobicContact CB-CG 4.4Å; K257-P259 VanDerWaalsContact O-CD 3.3Å; K257-P259 WeakPolarHBondContact O-CD 3.42Å; K257-R262 PolarHBondContact O-NH2 3.22Å
258N93.4Very high97.1Very high76 Ų7654.3 Ų54.341%0.40626%0.261SS..SBendtrans-79.2113.2178-178.5-5.1000109.3Q256 K260 M261 R262Q256-N258 PolarHBondContact O-N 3.24Å; N258-K260 PolarHBondContact O-N 3.21Å; N258-K260 VanDerWaalsContact O-N 3.09Å; N258-K260 WeakPolarHBondContact OD1-CB 3.27Å; N258-K260 PolarHBondContact OD1-N 3.17Å; N258-K260 VanDerWaalsContact OD1-N 3.08Å; N258-M261 HydrophobicContact CB-CB 4.27Å; N258-M261 HydrophobicContact CB-CG 4.19Å; N258-M261 PolarHBondContact O-N 2.79Å; N258-R262 PolarHBondContact O-N 2.84Å; N258-R262 VanDerWaalsContact O-N 3.11Å
259P92.5Very high97.1Very high47 Ų4754.1 Ų54.131%0.30526%0.261SS..THydrogen-bonded Turntrans-61.7-22-177.124.6-34.5000113.6A196 K257 M261A196-P259 HydrophobicContact CB-CB 3.97Å; K257-P259 VanDerWaalsContact O-CD 3.3Å; K257-P259 WeakPolarHBondContact O-CD 3.42Å; P259-M261 VanDerWaalsContact C-N 3.34Å
260K92.6Very high97.1Very high190 Ų19058.8 Ų58.883%0.82627%0.274SS*.THydrogen-bonded Turntrans-74.7-23.5175.4-62.9-174.7178-176.60113.7N258N258-K260 PolarHBondContact O-N 3.21Å; N258-K260 VanDerWaalsContact O-N 3.09Å; N258-K260 WeakPolarHBondContact OD1-CB 3.27Å; N258-K260 PolarHBondContact OD1-N 3.17Å; N258-K260 VanDerWaalsContact OD1-N 3.08Å
261M96.1Very high97.1Very high121 Ų12159.4 Ų59.460%0.59628%0.277SS*.THydrogen-bonded Turntrans-100.1-9178.1-61.8-59.3-62.200112Q256 N258 P259Q256-M261 HydrophobicContact CG-CB 3.73Å; N258-M261 HydrophobicContact CB-CB 4.27Å; N258-M261 HydrophobicContact CB-CG 4.19Å; N258-M261 PolarHBondContact O-N 2.79Å; P259-M261 VanDerWaalsContact C-N 3.34Å
262R97.7Very high97.1Very high6 Ų662.5 Ų62.52%0.02330%0.297CS..SBendtrans-71.7141.4178-168.1-178.6-61.5147.86.5109.7E186 A196 C199 M254 Q256 K257 N258 T264E186-R262 IonicContact OE1-CZ 2.97Å; E186-R262 IonicContact OE1-NH1 2.74Å; E186-R262 PolarHBondContact OE1-NH1 2.78Å; E186-R262 IonicContact OE1-NH2 3.17Å; E186-R262 PolarHBondContact OE1-NH2 2.81Å; E186-R262 IonicContact OE2-CZ 2.78Å; E186-R262 IonicContact OE2-NH1 3.13Å; E186-R262 IonicContact OE2-NH2 2.69Å; E186-R262 PolarHBondContact OE2-NH2 2.85Å; A196-R262 WeakPolarHBondContact O-CD 3.18Å; A196-R262 PolarHBondContact O-NH1 3.41Å; C199-R262 HydrophobicContact CB-CG 4.45Å; M254-R262 WeakPolarHBondContact O-CD 3.19Å; M254-R262 WeakPolarHBondContact O-CG 3.43Å; Q256-R262 HydrophobicContact CB-CB 4.07Å; Q256-R262 HydrophobicContact CB-CG 4.3Å; Q256-R262 PolarHBondContact O-NE 3.42Å; Q256-R262 PolarHBondContact O-NH2 3.49Å; K257-R262 PolarHBondContact O-NH2 3.22Å; N258-R262 PolarHBondContact O-N 2.84Å; N258-R262 VanDerWaalsContact O-N 3.11Å; R262-T264 PolarHBondContact O-N 2.87Å
263F98.3Very high97.1Very high39 Ų3958.3 Ų58.317%0.17128%0.281CS..PPolyproline II helixtrans-57.2134.8175.9-84.26.7000111.9C199 N253 M254 Q267 A268 H271C199-F263 VanDerWaalsContact CB-O 3.3Å; C199-F263 WeakPolarHBondContact CB-O 3.34Å; C199-F263 PolarHBondContact SG-O 2.92Å; N253-F263 HydrophobicContact CB-CD1 3.71Å; N253-F263 HydrophobicContact CB-CD2 3.55Å; N253-F263 HydrophobicContact CB-CE1 3.6Å; N253-F263 HydrophobicContact CB-CE2 3.44Å; N253-F263 VanDerWaalsContact CB-CE2 3.44Å; N253-F263 HydrophobicContact CB-CG 3.69Å; N253-F263 HydrophobicContact CB-CZ 3.47Å; N253-F263 VanDerWaalsContact CB-CZ 3.47Å; N253-F263 PolarHBondContact O-N 2.97Å; N253-F263 WeakPolarHBondContact OD1-CE1 3.36Å; M254-F263 HydrophobicContact SD-CB 3.77Å; F263-Q267 HydrophobicContact CB-CB 4.24Å; F263-Q267 HydrophobicContact CD1-CB 4.12Å; F263-Q267 HydrophobicContact CD2-CB 4.44Å; F263-Q267 HydrophobicContact CG-CB 4.01Å; F263-A268 HydrophobicContact CB-CB 4.39Å; F263-A268 HydrophobicContact CD2-CB 4.31Å; F263-H271 HydrophobicContact CE2-CB 4.43Å; F263-H271 AromaticContact CE2-CD2 3.89Å
264T97.7Very high97.1Very high65 Ų6556.7 Ų56.740%0.39927%0.272SS..PPolyproline II helixtrans-74.7164.4159.968.60000109.8R262 E266 Q267 A268R262-T264 PolarHBondContact O-N 2.87Å; T264-E266 PolarHBondContact O-N 3.44Å; T264-Q267 PolarHBondContact O-N 2.85Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.24Å; T264-Q267 PolarHBondContact OG1-N 3.44Å; T264-Q267 PolarHBondContact OG1-OE1 3.39Å; T264-A268 WeakPolarHBondContact O-CB 3.41Å; T264-A268 PolarHBondContact O-N 2.93Å
265T97.6Very high96.9Very high9 Ų962.3 Ų62.36%0.05530%0.301CS..Hα-helixtrans-57.7-36.7173.948.80000112.4L125 V128 A268 L269L125-T265 HydrophobicContact CD2-CG2 4.2Å; V128-T265 HydrophobicContact CB-CG2 4.16Å; V128-T265 HydrophobicContact CG1-CG2 3.8Å; T265-A268 PolarHBondContact O-N 2.92Å; T265-L269 WeakPolarHBondContact O-CB 3.34Å; T265-L269 VanDerWaalsContact O-CG 3.25Å; T265-L269 WeakPolarHBondContact O-CG 3.23Å; T265-L269 PolarHBondContact O-N 3.13Å
266E97.4Very high96.5Very high90 Ų9063.9 Ų63.942%0.42132%0.318SS..Hα-helixtrans-64.2-43.6175.8-172.9-173.8166.500112.6T264 R270T264-E266 PolarHBondContact O-N 3.44Å; E266-R270 PolarHBondContact O-N 3.03Å; E266-R270 IonicContact OE1-CZ 2.71Å; E266-R270 IonicContact OE1-NH1 2.97Å; E266-R270 PolarHBondContact OE1-NH1 2.93Å; E266-R270 IonicContact OE1-NH2 3.81Å; E266-R270 PolarHBondContact OE1-NH2 3.42Å
267Q98.3Very high96.2Very high93 Ų9367.8 Ų67.844%0.43534%0.341SS..Hα-helixtrans-66.2-44.9176.5-71.1169.7-39.100111F263 T264 L269 R270 H271F263-Q267 HydrophobicContact CB-CB 4.24Å; F263-Q267 HydrophobicContact CD1-CB 4.12Å; F263-Q267 HydrophobicContact CD2-CB 4.44Å; F263-Q267 HydrophobicContact CG-CB 4.01Å; T264-Q267 PolarHBondContact O-N 2.85Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.24Å; T264-Q267 PolarHBondContact OG1-N 3.44Å; T264-Q267 PolarHBondContact OG1-OE1 3.39Å; Q267-L269 PolarHBondContact O-N 3.48Å; Q267-R270 PolarHBondContact O-N 3.41Å; Q267-R270 VanDerWaalsContact O-N 3.14Å; Q267-H271 PolarHBondContact O-N 3.37Å
268A98.5Very high96.4Very high0 Ų065.8 Ų65.80%034%0.337CS..Hα-helixtrans-60.5-41.6178.700000112.5L125 F250 M254 F263 T264 T265 R270 H271 I274L125-A268 HydrophobicContact CD1-CB 3.87Å; L125-A268 HydrophobicContact CD2-CB 3.67Å; L125-A268 HydrophobicContact CG-CB 4.45Å; F250-A268 HydrophobicContact CE2-CB 3.87Å; F250-A268 HydrophobicContact CZ-CB 4.32Å; M254-A268 HydrophobicContact CE-CB 4.27Å; M254-A268 HydrophobicContact SD-CB 3.64Å; F263-A268 HydrophobicContact CB-CB 4.39Å; F263-A268 HydrophobicContact CD2-CB 4.31Å; T264-A268 WeakPolarHBondContact O-CB 3.41Å; T264-A268 PolarHBondContact O-N 2.93Å; T265-A268 PolarHBondContact O-N 2.92Å; A268-R270 PolarHBondContact O-N 3.46Å; A268-H271 VanDerWaalsContact O-CB 3.23Å; A268-H271 WeakPolarHBondContact O-CB 3.29Å; A268-H271 PolarHBondContact O-N 2.85Å; A268-H271 VanDerWaalsContact O-N 3.1Å; A268-I274 WeakPolarHBondContact O-CG1 3.28Å
269L98.4Very high96.6Very high24 Ų2462.8 Ų62.813%0.12632%0.323CS..Hα-helixtrans-63.5-24.7177.1-77.6167.1000113.6Q122 L125 Q126 Q129 T265 Q267 I274Q122-L269 HydrophobicContact CG-CD2 4.25Å; L125-L269 HydrophobicContact CB-CD1 4.46Å; L125-L269 HydrophobicContact CB-CD2 3.6Å; L125-L269 HydrophobicContact CB-CG 3.85Å; L125-L269 HydrophobicContact CD1-CD2 4.15Å; L125-L269 HydrophobicContact CD1-CG 4.32Å; Q126-L269 HydrophobicContact CG-CD1 4.46Å; Q126-L269 HydrophobicContact CG-CD2 3.93Å; Q129-L269 HydrophobicContact CB-CD1 4.38Å; T265-L269 WeakPolarHBondContact O-CB 3.34Å; T265-L269 VanDerWaalsContact O-CG 3.25Å; T265-L269 WeakPolarHBondContact O-CG 3.23Å; T265-L269 PolarHBondContact O-N 3.13Å; Q267-L269 PolarHBondContact O-N 3.48Å; L269-I274 HydrophobicContact CD2-CG2 4.36Å
270R98.3Very high96.7Very high164 Ų16465.6 Ų65.662%0.61933%0.327SS*.THydrogen-bonded Turntrans-89-6.4177-67.8178.2179.3142.38.4113.3E266 Q267 A268 I275E266-R270 PolarHBondContact O-N 3.03Å; E266-R270 IonicContact OE1-CZ 2.71Å; E266-R270 IonicContact OE1-NH1 2.97Å; E266-R270 PolarHBondContact OE1-NH1 2.93Å; E266-R270 IonicContact OE1-NH2 3.81Å; E266-R270 PolarHBondContact OE1-NH2 3.42Å; Q267-R270 PolarHBondContact O-N 3.41Å; Q267-R270 VanDerWaalsContact O-N 3.14Å; A268-R270 PolarHBondContact O-N 3.46Å; R270-I275 WeakPolarHBondContact O-CG2 3.41Å
271H98.7Very high96.9Very high14 Ų1460.7 Ų60.77%0.06532%0.317CS..SBendtrans-66.3139.6-177.2-174.1-91.9000111.1S246 D249 F250 F263 Q267 A268 W273 I274 I275S246-H271 PolarHBondContact O-CE1 3.29Å; S246-H271 VanDerWaalsContact O-CE1 3.28Å; D249-H271 IonicContact OD2-NE2 3.81Å; D249-H271 PolarHBondContact OD2-NE2 3.08Å; F250-H271 HydrophobicContact CD2-CB 3.85Å; F250-H271 AromaticContact CD2-CG 3.7Å; F250-H271 AromaticContact CD2-ND1 3.65Å; F250-H271 HydrophobicContact CE2-CB 4.31Å; F263-H271 HydrophobicContact CE2-CB 4.43Å; F263-H271 AromaticContact CE2-CD2 3.89Å; Q267-H271 PolarHBondContact O-N 3.37Å; A268-H271 VanDerWaalsContact O-CB 3.23Å; A268-H271 WeakPolarHBondContact O-CB 3.29Å; A268-H271 PolarHBondContact O-N 2.85Å; A268-H271 VanDerWaalsContact O-N 3.1Å; H271-W273 VanDerWaalsContact ND1-CB 3.27Å; H271-W273 WeakPolarHBondContact ND1-CB 3.29Å; H271-W273 PolarHBondContact ND1-N 3.5Å; H271-W273 VanDerWaalsContact ND1-N 3.12Å; H271-W273 PolarHBondContact O-N 2.94Å; H271-W273 VanDerWaalsContact O-N 3.09Å; H271-I274 PolarHBondContact O-N 3.48Å; H271-I275 PolarHBondContact O-N 2.76Å
272P98.2Very high96.8Very high64 Ų6459.1 Ų59.142%0.41631%0.308SS..Hα-helixtrans-55.8-30.2-176.8-2936.2000115I274 G276 T278P272-I274 VanDerWaalsContact C-N 3.25Å; P272-I274 PolarHBondContact O-N 3.34Å; P272-G276 CarbonylContact O-C 3.28Å; P272-G276 VanDerWaalsContact O-C 3.3Å; P272-G276 WeakPolarHBondContact O-CA 3.41Å; P272-G276 PolarHBondContact O-N 3.28Å; P272-T278 HydrophobicContact CB-CG2 3.92Å; P272-T278 PolarHBondContact O-OG1 2.77Å; P272-T278 VanDerWaalsContact O-OG1 3.12Å
273W98.6Very high96.8Very high0 Ų062.7 Ų62.70%033%0.328CS..Hα-helixtrans-67.3-25.1175.9-170.574.8000113.3E114 A117 S118 I121 T206 L210 A247 F250 H271 T278 A279E114-W273 PolarHBondContact OE2-NE1 2.82Å; E114-W273 VanDerWaalsContact OE2-NE1 3.07Å; A117-W273 HydrophobicContact CB-CH2 4.23Å; A117-W273 HydrophobicContact CB-CZ2 4.31Å; S118-W273 PolarHBondContact OG-O 3.42Å; I121-W273 HydrophobicContact CB-CZ3 4.33Å; I121-W273 HydrophobicContact CG1-CZ3 4.46Å; I121-W273 HydrophobicContact CG2-CZ3 4.35Å; T206-W273 HydrophobicContact CG2-CH2 3.67Å; T206-W273 HydrophobicContact CG2-CZ3 3.74Å; L210-W273 HydrophobicContact CD1-CH2 4.49Å; L210-W273 HydrophobicContact CD1-CZ2 4.05Å; L210-W273 HydrophobicContact CD2-CZ2 4.13Å; A247-W273 HydrophobicContact CB-CD2 4.32Å; A247-W273 HydrophobicContact CB-CG 4.32Å; A247-W273 HydrophobicContact CB-CZ2 4.32Å; A247-W273 VanDerWaalsContact CB-NE1 3.32Å; F250-W273 HydrophobicContact CB-CB 4.34Å; F250-W273 HydrophobicContact CB-CE3 4.25Å; F250-W273 AromaticContact CD1-CE3 3.69Å; F250-W273 HydrophobicContact CD1-CE3 3.69Å; F250-W273 AromaticContact CD1-CZ3 3.85Å; F250-W273 HydrophobicContact CD1-CZ3 3.85Å; F250-W273 HydrophobicContact CD2-CE3 4.35Å; F250-W273 HydrophobicContact CE1-CE3 4.11Å; F250-W273 AromaticContact CE1-CZ3 3.95Å; F250-W273 HydrophobicContact CE1-CZ3 3.95Å; F250-W273 AromaticContact CG-CE3 3.83Å; F250-W273 HydrophobicContact CG-CE3 3.83Å; F250-W273 HydrophobicContact CG-CZ3 4.44Å; H271-W273 VanDerWaalsContact ND1-CB 3.27Å; H271-W273 WeakPolarHBondContact ND1-CB 3.29Å; H271-W273 PolarHBondContact ND1-N 3.5Å; H271-W273 VanDerWaalsContact ND1-N 3.12Å; H271-W273 PolarHBondContact O-N 2.94Å; H271-W273 VanDerWaalsContact O-N 3.09Å; W273-T278 WeakPolarHBondContact CA-OG1 3.4Å; W273-T278 PolarHBondContact N-OG1 3.2Å; W273-T278 VanDerWaalsContact N-OG1 3.13Å; W273-A279 HydrophobicContact CG-CB 4.44Å
274I98.4Very high96.6Very high9 Ų961.5 Ų61.55%0.04632%0.323CS..Hα-helixtrans-95.4-54179.9-61.8-63.2000112I121 Q122 L125 F250 A268 L269 H271 P272I121-I274 HydrophobicContact CB-CD1 4.23Å; I121-I274 HydrophobicContact CG2-CD1 3.77Å; Q122-I274 HydrophobicContact CB-CG2 3.96Å; Q122-I274 HydrophobicContact CG-CG2 3.87Å; L125-I274 HydrophobicContact CD1-CD1 4.15Å; L125-I274 HydrophobicContact CD1-CG1 4.16Å; F250-I274 HydrophobicContact CD2-CG1 4.11Å; F250-I274 HydrophobicContact CE2-CD1 4.08Å; F250-I274 HydrophobicContact CE2-CG1 3.61Å; F250-I274 HydrophobicContact CZ-CD1 4.03Å; F250-I274 HydrophobicContact CZ-CG1 4.07Å; A268-I274 WeakPolarHBondContact O-CG1 3.28Å; L269-I274 HydrophobicContact CD2-CG2 4.36Å; H271-I274 PolarHBondContact O-N 3.48Å; P272-I274 VanDerWaalsContact C-N 3.25Å; P272-I274 PolarHBondContact O-N 3.34Å
275I94.6Very high96.5Very high118 Ų11860.5 Ų60.561%0.60531%0.312SS*.Hα-helixtrans-95.9-18.4-174.4-163.4168.1000113.6R270 H271R270-I275 WeakPolarHBondContact O-CG2 3.41Å; H271-I275 PolarHBondContact O-N 2.76Å
276G89.1Confident96.3Very high35 Ų3566.9 Ų66.936%0.36134%0.341SS..SBendtrans-99.8-157.8-175.800000113.3P272P272-G276 CarbonylContact O-C 3.28Å; P272-G276 VanDerWaalsContact O-C 3.3Å; P272-G276 WeakPolarHBondContact O-CA 3.41Å; P272-G276 PolarHBondContact O-N 3.28Å
277N92.1Very high96.1Very high159 Ų15964.8 Ų64.885%0.8534%0.337SS*.SBendtrans-113.120.4-176.4-66.3-42000112.8
278T97.4Very high95.8Very high58 Ų5860.4 Ų60.436%0.35632%0.316SS..  trans-85.5-15.9-177.660.30000113.5S246 P272 W273 R280S246-T278 WeakPolarHBondContact CB-OG1 3.43Å; S246-T278 WeakPolarHBondContact OG-CB 3.47Å; S246-T278 PolarHBondContact OG-OG1 3.48Å; P272-T278 HydrophobicContact CB-CG2 3.92Å; P272-T278 PolarHBondContact O-OG1 2.77Å; P272-T278 VanDerWaalsContact O-OG1 3.12Å; W273-T278 WeakPolarHBondContact CA-OG1 3.4Å; W273-T278 PolarHBondContact N-OG1 3.2Å; W273-T278 VanDerWaalsContact N-OG1 3.13Å; T278-R280 PolarHBondContact O-N 3.22Å
279A97.3Very high95.6Very high13 Ų1360.7 Ų60.711%0.10732%0.318CS..SBendtrans-69.1121.1170.700000110.5E114 W273E114-A279 HydrophobicContact CB-CB 4.34Å; W273-A279 HydrophobicContact CG-CB 4.44Å
280R96.6Very high95.3Very high106 Ų10661.4 Ų61.440%0.432%0.324SS..  trans-71.9147.2-176.1-67.4176.3176.8172.5-1.9111.7E114 K115 D242 T278E114-R280 WeakPolarHBondContact CB-O 3.36Å; E114-R280 HydrophobicContact CG-CB 4.49Å; E114-R280 PolarHBondContact N-O 3.32Å; E114-R280 PolarHBondContact OE2-N 3.32Å; K115-R280 PolarHBondContact N-O 3.24Å; K115-R280 VanDerWaalsContact N-O 3.14Å; D242-R280 PolarHBondContact O-NH1 2.85Å; T278-R280 PolarHBondContact O-N 3.22Å
281S96Very high94.9Very high87 Ų8755 Ų5561%0.60830%0.3SS*.  trans-96.79.1172.6-540000112.6
282Q94.8Very high94.4Very high89 Ų8954.3 Ų54.342%0.41630%0.297SS..SBendtrans-65138.1174.4-178.5173.3-7.900109.5S113 I284S113-Q282 WeakPolarHBondContact CB-O 3.35Å; Q282-I284 PolarHBondContact O-N 2.81Å
283D95.8Very high93.9Very high80 Ų8056.4 Ų56.443%0.42830%0.301SS..BIsolated β-bridgetrans-72.6119.8176.4-174.828.7000110Y112 Y285Y112-D283 PolarHBondContact N-OD1 3.3Å; Y112-D283 VanDerWaalsContact O-OD1 3.05Å; D283-Y285 WeakPolarHBondContact OD1-CB 3.41Å; D283-Y285 PolarHBondContact OD1-N 2.84Å
284I95.8Very high93.3Very high15 Ų1561.9 Ų61.98%0.07733%0.325CS..  trans-112.44.9176.162.4172.4000111.1Y112 E114 L210 I243 Q282 H286 S287 V288Y112-I284 HydrophobicContact CD1-CD1 4.24Å; Y112-I284 HydrophobicContact CD1-CG1 3.97Å; Y112-I284 HydrophobicContact CE1-CD1 4.23Å; Y112-I284 HydrophobicContact CE1-CG1 4.47Å; Y112-I284 VanDerWaalsContact O-CG1 3.28Å; Y112-I284 WeakPolarHBondContact O-CG1 3.2Å; Y112-I284 PolarHBondContact O-N 2.96Å; E114-I284 HydrophobicContact CG-CD1 4.49Å; L210-I284 HydrophobicContact CD2-CD1 4.24Å; I243-I284 HydrophobicContact CD1-CD1 3.82Å; I243-I284 HydrophobicContact CD1-CG2 4.1Å; Q282-I284 PolarHBondContact O-N 2.81Å; I284-H286 PolarHBondContact O-N 3.25Å; I284-S287 PolarHBondContact O-N 2.88Å; I284-V288 HydrophobicContact CB-CG2 4.3Å; I284-V288 HydrophobicContact CD1-CG2 3.95Å; I284-V288 HydrophobicContact CG1-CG2 4.02Å; I284-V288 WeakPolarHBondContact O-CG2 3.29Å; I284-V288 PolarHBondContact O-N 3.29Å; I284-V288 VanDerWaalsContact O-N 3.14Å
285Y95.1Very high92.4Very high44 Ų4462.6 Ų62.617%0.17333%0.329CS..Hα-helixtrans-52-49.1-172.9175.5-105.7000113.3I106 L107 G110 Y112 D283 S287 V288 S289I106-Y285 VanDerWaalsContact O-CE2 3.25Å; I106-Y285 WeakPolarHBondContact O-CE2 3.44Å; L107-Y285 PolarHBondContact O-OH 3.49Å; G110-Y285 WeakPolarHBondContact O-CD1 3.34Å; Y112-Y285 PolarHBondContact O-N 2.84Å; D283-Y285 WeakPolarHBondContact OD1-CB 3.41Å; D283-Y285 PolarHBondContact OD1-N 2.84Å; Y285-S287 PolarHBondContact O-N 3.29Å; Y285-V288 PolarHBondContact O-N 2.9Å; Y285-S289 WeakPolarHBondContact O-CB 3.46Å; Y285-S289 PolarHBondContact O-N 3.43Å; Y285-S289 PolarHBondContact O-OG 2.94Å; Y285-S289 VanDerWaalsContact O-OG 3.06Å
286H93Very high91.2Very high143 Ų14358.5 Ų58.566%0.66231%0.307SS*.Hα-helixtrans-59.7-46.1-174.7-176.476.8000112.6I284 S289 V290I284-H286 PolarHBondContact O-N 3.25Å; H286-S289 PolarHBondContact O-OG 2.85Å; H286-V290 WeakPolarHBondContact O-CB 3.44Å; H286-V290 WeakPolarHBondContact O-CG2 3.27Å; H286-V290 PolarHBondContact O-N 3.25Å
287S92.9Very high89.7Confident46 Ų4659.3 Ų59.332%0.32231%0.311SS..Hα-helixtrans-65.1-48.1179.2-1760000110.7I284 Y285 Q291I284-S287 PolarHBondContact O-N 2.88Å; Y285-S287 PolarHBondContact O-N 3.29Å; S287-Q291 WeakPolarHBondContact O-CG 3.39Å; S287-Q291 PolarHBondContact O-N 3.31Å
288V93.3Very high88Confident0 Ų056.7 Ų56.70%029%0.291CS..Hα-helixtrans-66.8-46.5-176.4174.50000111.8Y112 L210 I284 Y285 V290 Q291 I292Y112-V288 HydrophobicContact CD1-CG1 4.38Å; Y112-V288 HydrophobicContact CE1-CG1 4.3Å; L210-V288 VanDerWaalsContact O-CG2 3.26Å; L210-V288 WeakPolarHBondContact O-CG2 3.24Å; I284-V288 HydrophobicContact CB-CG2 4.3Å; I284-V288 HydrophobicContact CD1-CG2 3.95Å; I284-V288 HydrophobicContact CG1-CG2 4.02Å; I284-V288 WeakPolarHBondContact O-CG2 3.29Å; I284-V288 PolarHBondContact O-N 3.29Å; I284-V288 VanDerWaalsContact O-N 3.14Å; Y285-V288 PolarHBondContact O-N 2.9Å; V288-V290 PolarHBondContact O-N 2.84Å; V288-Q291 PolarHBondContact O-N 3.48Å; V288-I292 HydrophobicContact CG1-CD1 3.53Å; V288-I292 HydrophobicContact CG1-CG1 4.15Å; V288-I292 VanDerWaalsContact O-CG1 3.31Å; V288-I292 WeakPolarHBondContact O-CG1 3.44Å; V288-I292 PolarHBondContact O-N 3.34Å
289S92.4Very high86.1Confident6 Ų656.5 Ų56.54%0.04229%0.29CS..Hα-helixtrans-64.3-41.1-176.173.70000111.9Y285 H286 Q291 I292 Q293Y285-S289 WeakPolarHBondContact O-CB 3.46Å; Y285-S289 PolarHBondContact O-N 3.43Å; Y285-S289 PolarHBondContact O-OG 2.94Å; Y285-S289 VanDerWaalsContact O-OG 3.06Å; H286-S289 PolarHBondContact O-OG 2.85Å; S289-Q291 VanDerWaalsContact C-N 3.32Å; S289-Q291 PolarHBondContact O-N 3.23Å; S289-I292 PolarHBondContact O-N 2.88Å; S289-Q293 WeakPolarHBondContact O-CB 3.31Å; S289-Q293 VanDerWaalsContact O-CG 3.27Å; S289-Q293 WeakPolarHBondContact O-CG 3.33Å; S289-Q293 PolarHBondContact O-N 3.44Å
290V92.3Very high84Confident40 Ų4061 Ų6124%0.24231%0.308CS..Hα-helixtrans-61.3-41.4175.8169.90000111.1H286 V288 K294H286-V290 WeakPolarHBondContact O-CB 3.44Å; H286-V290 WeakPolarHBondContact O-CG2 3.27Å; H286-V290 PolarHBondContact O-N 3.25Å; V288-V290 PolarHBondContact O-N 2.84Å; V290-K294 HydrophobicContact CG1-CD 4.06Å; V290-K294 WeakPolarHBondContact O-CB 3.38Å; V290-K294 VanDerWaalsContact O-CG 3.24Å; V290-K294 WeakPolarHBondContact O-CG 3.28Å; V290-K294 PolarHBondContact O-N 3.44Å; V290-K294 VanDerWaalsContact O-N 3.08Å
291Q91.8Very high81Confident28 Ų2865.7 Ų65.713%0.13133%0.325CS..Hα-helixtrans-71.3-43.6177.9-65.5-54.9-34.600112C211 G212 Y213 F239 S287 V288 S289 Q293 K294 N295C211-Q291 VanDerWaalsContact O-CB 3.27Å; C211-Q291 WeakPolarHBondContact O-CB 3.34Å; C211-Q291 WeakPolarHBondContact O-CG 3.5Å; G212-Q291 CarbonylContact O-C 3.51Å; G212-Q291 VanDerWaalsContact O-C 3.28Å; Y213-Q291 HydrophobicContact CD1-CG 4.42Å; F239-Q291 HydrophobicContact CD1-CG 4.23Å; F239-Q291 HydrophobicContact CE1-CG 4.21Å; S287-Q291 WeakPolarHBondContact O-CG 3.39Å; S287-Q291 PolarHBondContact O-N 3.31Å; V288-Q291 PolarHBondContact O-N 3.48Å; S289-Q291 VanDerWaalsContact C-N 3.32Å; S289-Q291 PolarHBondContact O-N 3.23Å; Q291-Q293 VanDerWaalsContact C-N 3.34Å; Q291-Q293 PolarHBondContact O-N 3.14Å; Q291-K294 PolarHBondContact O-N 3.48Å; Q291-N295 WeakPolarHBondContact O-CB 3.36Å; Q291-N295 PolarHBondContact O-N 2.94Å; Q291-N295 PolarHBondContact O-ND2 2.93Å
292I88.1Confident78.5Confident1 Ų166.7 Ų66.71%0.00532%0.319CS..Hα-helixtrans-55.9-51.6174.6-69.5169.7000109.2F103 I106 L107 G212 V288 S289 K294 N295 F296F103-I292 HydrophobicContact CB-CG2 4.21Å; F103-I292 HydrophobicContact CD1-CD1 3.55Å; F103-I292 HydrophobicContact CD1-CG1 4.1Å; F103-I292 HydrophobicContact CE1-CD1 4.06Å; F103-I292 HydrophobicContact CE1-CG1 4.43Å; F103-I292 HydrophobicContact CG-CD1 4.5Å; I106-I292 HydrophobicContact CG2-CD1 4.09Å; L107-I292 HydrophobicContact CD1-CG2 3.89Å; L107-I292 HydrophobicContact CD2-CB 4.15Å; L107-I292 HydrophobicContact CD2-CG2 3.99Å; L107-I292 HydrophobicContact CG-CG2 4.04Å; G212-I292 PolarHBondContact O-N 3.47Å; V288-I292 HydrophobicContact CG1-CD1 3.53Å; V288-I292 HydrophobicContact CG1-CG1 4.15Å; V288-I292 VanDerWaalsContact O-CG1 3.31Å; V288-I292 WeakPolarHBondContact O-CG1 3.44Å; V288-I292 PolarHBondContact O-N 3.34Å; S289-I292 PolarHBondContact O-N 2.88Å; I292-K294 VanDerWaalsContact C-N 3.34Å; I292-K294 PolarHBondContact O-N 3.1Å; I292-N295 PolarHBondContact O-N 3.22Å; I292-F296 HydrophobicContact CB-CD2 4.34Å; I292-F296 HydrophobicContact CG2-CD2 3.58Å; I292-F296 HydrophobicContact CG2-CE2 4.06Å; I292-F296 HydrophobicContact CG2-CG 4.2Å; I292-F296 VanDerWaalsContact O-CB 3.26Å; I292-F296 WeakPolarHBondContact O-CB 3.37Å; I292-F296 WeakPolarHBondContact O-CD2 3.23Å; I292-F296 PolarHBondContact O-N 3.48Å
293Q87.3Confident76.4Confident107 Ų10767.1 Ų67.150%0.532%0.321SS..Hα-helixtrans-58.6-44.3179.8-72.4175.24.500112.3L107 S289 Q291 N295 A297L107-Q293 HydrophobicContact CD1-CG 4.05Å; L107-Q293 HydrophobicContact CD2-CG 3.88Å; S289-Q293 WeakPolarHBondContact O-CB 3.31Å; S289-Q293 VanDerWaalsContact O-CG 3.27Å; S289-Q293 WeakPolarHBondContact O-CG 3.33Å; S289-Q293 PolarHBondContact O-N 3.44Å; Q291-Q293 VanDerWaalsContact C-N 3.34Å; Q291-Q293 PolarHBondContact O-N 3.14Å; Q293-N295 PolarHBondContact O-N 3.23Å; Q293-A297 WeakPolarHBondContact O-CB 3.5Å; Q293-A297 PolarHBondContact O-N 2.93Å; Q293-A297 VanDerWaalsContact O-N 3.12Å
294K86.4Confident73.5Confident115 Ų11566 Ų6650%0.532%0.323SS..Hα-helixtrans-63.6-39.8177.8-76.7172.3-178.5173.70113V290 Q291 I292 K298V290-K294 HydrophobicContact CG1-CD 4.06Å; V290-K294 WeakPolarHBondContact O-CB 3.38Å; V290-K294 VanDerWaalsContact O-CG 3.24Å; V290-K294 WeakPolarHBondContact O-CG 3.28Å; V290-K294 PolarHBondContact O-N 3.44Å; V290-K294 VanDerWaalsContact O-N 3.08Å; Q291-K294 PolarHBondContact O-N 3.48Å; I292-K294 VanDerWaalsContact C-N 3.34Å; I292-K294 PolarHBondContact O-N 3.1Å; K294-K298 WeakPolarHBondContact O-CG 3.29Å
295N78Confident70.5Confident25 Ų2571.8 Ų71.813%0.13435%0.347CS..Hα-helixtrans-87.6-38.1-173.6-65.6-42.3000112.4G212 Y213 Q291 I292 Q293 K298 T299G212-N295 PolarHBondContact O-ND2 3.44Å; Y213-N295 WeakPolarHBondContact CB-ND2 3.39Å; Q291-N295 WeakPolarHBondContact O-CB 3.36Å; Q291-N295 PolarHBondContact O-N 2.94Å; Q291-N295 PolarHBondContact O-ND2 2.93Å; I292-N295 PolarHBondContact O-N 3.22Å; Q293-N295 PolarHBondContact O-N 3.23Å; N295-K298 WeakPolarHBondContact O-CB 3.39Å; N295-K298 PolarHBondContact O-N 3.18Å; N295-T299 PolarHBondContact O-N 3.03Å; N295-T299 PolarHBondContact O-OG1 2.98Å
296F69.4Low67.5Low32 Ų3274.5 Ų74.514%0.1437%0.365CS..Hα-helixtrans-70.9-33.8175.6-83.7-100.8000112.5F103 I292 K298 T299 K300F103-F296 HydrophobicContact CB-CE1 4.43Å; F103-F296 HydrophobicContact CB-CE2 4.42Å; F103-F296 HydrophobicContact CB-CZ 4.17Å; F103-F296 AromaticContact CD2-CE1 3.85Å; F103-F296 HydrophobicContact CD2-CE1 3.85Å; F103-F296 AromaticContact CD2-CE2 3.68Å; F103-F296 HydrophobicContact CD2-CE2 3.68Å; F103-F296 AromaticContact CD2-CZ 3.09Å; F103-F296 HydrophobicContact CD2-CZ 3.09Å; F103-F296 AromaticContact CE2-CE2 3.94Å; F103-F296 HydrophobicContact CE2-CE2 3.94Å; F103-F296 AromaticContact CE2-CZ 3.49Å; F103-F296 HydrophobicContact CE2-CZ 3.49Å; F103-F296 VanDerWaalsContact CE2-CZ 3.49Å; F103-F296 HydrophobicContact CG-CE1 4.46Å; F103-F296 AromaticContact CG-CE2 3.99Å; F103-F296 HydrophobicContact CG-CE2 3.99Å; F103-F296 AromaticContact CG-CZ 3.77Å; F103-F296 HydrophobicContact CG-CZ 3.77Å; I292-F296 HydrophobicContact CB-CD2 4.34Å; I292-F296 HydrophobicContact CG2-CD2 3.58Å; I292-F296 HydrophobicContact CG2-CE2 4.06Å; I292-F296 HydrophobicContact CG2-CG 4.2Å; I292-F296 VanDerWaalsContact O-CB 3.26Å; I292-F296 WeakPolarHBondContact O-CB 3.37Å; I292-F296 WeakPolarHBondContact O-CD2 3.23Å; I292-F296 PolarHBondContact O-N 3.48Å; F296-K298 VanDerWaalsContact C-N 3.28Å; F296-K298 PolarHBondContact O-N 2.86Å; F296-T299 PolarHBondContact O-N 2.7Å; F296-T299 VanDerWaalsContact O-N 3.17Å; F296-K300 WeakPolarHBondContact O-CB 3.36Å; F296-K300 PolarHBondContact O-N 2.71Å
297A58.9Low64.6Low52 Ų5270 Ų7043%0.4335%0.353SS..Hα-helixtrans-58.6-43.7169.700000110.7Q293 T299 W301Q293-A297 WeakPolarHBondContact O-CB 3.5Å; Q293-A297 PolarHBondContact O-N 2.93Å; Q293-A297 VanDerWaalsContact O-N 3.12Å; A297-T299 PolarHBondContact O-N 3.09Å; A297-W301 VanDerWaalsContact O-CB 3.25Å; A297-W301 WeakPolarHBondContact O-CB 3.46Å; A297-W301 PolarHBondContact O-N 3.39Å
298K55.8Low61.5Low103 Ų10371.5 Ų71.545%0.44836%0.36SS..Hα-helixtrans-64-38.5174.4-68.2171.8-175.8175.70112.3K294 N295 F296 K302K294-K298 WeakPolarHBondContact O-CG 3.29Å; N295-K298 WeakPolarHBondContact O-CB 3.39Å; N295-K298 PolarHBondContact O-N 3.18Å; F296-K298 VanDerWaalsContact C-N 3.28Å; F296-K298 PolarHBondContact O-N 2.86Å; K298-K302 WeakPolarHBondContact O-CB 3.29Å; K298-K302 VanDerWaalsContact O-CG 3.29Å; K298-K302 WeakPolarHBondContact O-CG 3.39Å; K298-K302 PolarHBondContact O-N 3.4Å
299T57.1Low58.8Low54 Ų5474.9 Ų74.933%0.33138%0.38SS..Hα-helixtrans-71.7-46179.4-54.10000112.3N295 F296 A297 W301 K302 Q303N295-T299 PolarHBondContact O-N 3.03Å; N295-T299 PolarHBondContact O-OG1 2.98Å; F296-T299 PolarHBondContact O-N 2.7Å; F296-T299 VanDerWaalsContact O-N 3.17Å; A297-T299 PolarHBondContact O-N 3.09Å; T299-W301 VanDerWaalsContact C-N 3.3Å; T299-W301 PolarHBondContact O-N 2.92Å; T299-K302 PolarHBondContact O-N 3.45Å; T299-Q303 HydrophobicContact CG2-CG 4.37Å; T299-Q303 WeakPolarHBondContact O-CB 3.32Å; T299-Q303 VanDerWaalsContact O-CG 3.28Å; T299-Q303 WeakPolarHBondContact O-CG 3.35Å; T299-Q303 PolarHBondContact O-N 3.37Å
300K53.8Low56Low109 Ų10977 Ų7747%0.47440%0.398SS..Hα-helixtrans-60.7-39.4173.4-71.7-173.8178.4178.60110.9F296 A304F296-K300 WeakPolarHBondContact O-CB 3.36Å; F296-K300 PolarHBondContact O-N 2.71Å; K300-A304 VanDerWaalsContact O-CB 3.29Å; K300-A304 WeakPolarHBondContact O-CB 3.41Å; K300-A304 PolarHBondContact O-N 2.84Å
301W33.5Very low53.5Low204 Ų20479.2 Ų79.277%0.77341%0.408SS*.Hα-helixtrans-64.3-47171.9-93.480.7000113.2A297 T299 A304 F305A297-W301 VanDerWaalsContact O-CB 3.25Å; A297-W301 WeakPolarHBondContact O-CB 3.46Å; A297-W301 PolarHBondContact O-N 3.39Å; T299-W301 VanDerWaalsContact C-N 3.3Å; T299-W301 PolarHBondContact O-N 2.92Å; W301-A304 PolarHBondContact O-N 3.45Å; W301-F305 VanDerWaalsContact O-CB 3.29Å; W301-F305 WeakPolarHBondContact O-CB 3.44Å; W301-F305 PolarHBondContact O-N 3.21Å
302K44Very low50.6Low108 Ų10882.3 Ų82.347%0.4743%0.425SS..Hα-helixtrans-63.9-39.7177.1-79.2179.9-179.6-177.30111.7Y217 K298 T299 F305 N306Y217-K302 PolarHBondContact OH-NZ 3.17Å; K298-K302 WeakPolarHBondContact O-CB 3.29Å; K298-K302 VanDerWaalsContact O-CG 3.29Å; K298-K302 WeakPolarHBondContact O-CG 3.39Å; K298-K302 PolarHBondContact O-N 3.4Å; T299-K302 PolarHBondContact O-N 3.45Å; K302-F305 PolarHBondContact O-N 2.9Å; K302-N306 VanDerWaalsContact O-CB 3.23Å; K302-N306 WeakPolarHBondContact O-CB 3.2Å; K302-N306 PolarHBondContact O-N 2.89Å; K302-N306 PolarHBondContact O-ND2 3.23Å
303Q49.7Very low48.3Very low98 Ų9887.7 Ų87.746%0.45845%0.45SS..Hα-helixtrans-64.3-46.6175-75175.1-3.100111.2T299 F305 N306 A307T299-Q303 HydrophobicContact CG2-CG 4.37Å; T299-Q303 WeakPolarHBondContact O-CB 3.32Å; T299-Q303 VanDerWaalsContact O-CG 3.28Å; T299-Q303 WeakPolarHBondContact O-CG 3.35Å; T299-Q303 PolarHBondContact O-N 3.37Å; Q303-F305 PolarHBondContact O-N 3.22Å; Q303-N306 PolarHBondContact O-N 2.91Å; Q303-A307 VanDerWaalsContact O-CB 3.22Å; Q303-A307 WeakPolarHBondContact O-CB 3.3Å; Q303-A307 PolarHBondContact O-N 3.09Å
304A34.6Very low46.1Very low56 Ų5688.1 Ų88.146%0.46345%0.453SS..Hα-helixtrans-63-40.817600000112.5K300 W301 T308K300-A304 VanDerWaalsContact O-CB 3.29Å; K300-A304 WeakPolarHBondContact O-CB 3.41Å; K300-A304 PolarHBondContact O-N 2.84Å; W301-A304 PolarHBondContact O-N 3.45Å; A304-T308 WeakPolarHBondContact O-CB 3.18Å; A304-T308 PolarHBondContact O-N 3.07Å; A304-T308 PolarHBondContact O-OG1 3.38Å
305F32.9Very low44Very low137 Ų13788 Ų8860%0.60145%0.453SS*.Hα-helixtrans-65.2-49.5175.8-176.1-97.5000111.7W301 K302 Q303 A307 T308 V309W301-F305 VanDerWaalsContact O-CB 3.29Å; W301-F305 WeakPolarHBondContact O-CB 3.44Å; W301-F305 PolarHBondContact O-N 3.21Å; K302-F305 PolarHBondContact O-N 2.9Å; Q303-F305 PolarHBondContact O-N 3.22Å; F305-A307 VanDerWaalsContact C-N 3.34Å; F305-A307 PolarHBondContact O-N 2.95Å; F305-T308 WeakPolarHBondContact O-CB 3.37Å; F305-T308 PolarHBondContact O-N 3.48Å; F305-T308 VanDerWaalsContact O-N 3.13Å; F305-V309 HydrophobicContact CD1-CG2 4.19Å; F305-V309 HydrophobicContact CE1-CG2 3.83Å; F305-V309 HydrophobicContact CZ-CG2 4.05Å; F305-V309 WeakPolarHBondContact O-CG2 3.4Å; F305-V309 PolarHBondContact O-N 3Å
306N33.1Very low42.5Very low101 Ų10194.1 Ų94.154%0.5448%0.478SS..Hα-helixtrans-64.8-37.4179.1-71.5-11.9000112K302 Q303 T308 V309 A310K302-N306 VanDerWaalsContact O-CB 3.23Å; K302-N306 WeakPolarHBondContact O-CB 3.2Å; K302-N306 PolarHBondContact O-N 2.89Å; K302-N306 PolarHBondContact O-ND2 3.23Å; Q303-N306 PolarHBondContact O-N 2.91Å; N306-T308 VanDerWaalsContact C-N 3.34Å; N306-V309 PolarHBondContact O-N 2.96Å; N306-A310 VanDerWaalsContact O-CB 3.27Å; N306-A310 WeakPolarHBondContact O-CB 3.44Å; N306-A310 PolarHBondContact O-N 3.03Å
307A30.7Very low41.3Very low49 Ų4997.3 Ų97.341%0.40550%0.496SS..Hα-helixtrans-61.8-42.5172.200000111.3Q303 F305 A310 I311Q303-A307 VanDerWaalsContact O-CB 3.22Å; Q303-A307 WeakPolarHBondContact O-CB 3.3Å; Q303-A307 PolarHBondContact O-N 3.09Å; F305-A307 VanDerWaalsContact C-N 3.34Å; F305-A307 PolarHBondContact O-N 2.95Å; A307-A310 PolarHBondContact O-N 3.41Å; A307-I311 WeakPolarHBondContact O-CB 3.48Å; A307-I311 WeakPolarHBondContact O-CD1 3.35Å; A307-I311 WeakPolarHBondContact O-CG1 3.24Å; A307-I311 PolarHBondContact O-N 3.33Å
308T28.5Very low40.7Very low76 Ų76100.8 Ų100.847%0.46650%0.503SS..Hα-helixtrans-63.6-44.1176.8-56.20000111.8A304 F305 N306 I311 N312A304-T308 WeakPolarHBondContact O-CB 3.18Å; A304-T308 PolarHBondContact O-N 3.07Å; A304-T308 PolarHBondContact O-OG1 3.38Å; F305-T308 WeakPolarHBondContact O-CB 3.37Å; F305-T308 PolarHBondContact O-N 3.48Å; F305-T308 VanDerWaalsContact O-N 3.13Å; N306-T308 VanDerWaalsContact C-N 3.34Å; T308-I311 PolarHBondContact O-N 3.37Å; T308-N312 WeakPolarHBondContact O-CB 3.4Å; T308-N312 VanDerWaalsContact O-CG 3.31Å; T308-N312 PolarHBondContact O-N 3.47Å; T308-N312 PolarHBondContact O-ND2 2.94Å
309V37.1Very low40.7Very low72 Ų72101.2 Ų101.244%0.43651%0.51SS..Hα-helixtrans-64.7-43.3176.5174.10000110.9F305 N306 N312 H313F305-V309 HydrophobicContact CD1-CG2 4.19Å; F305-V309 HydrophobicContact CE1-CG2 3.83Å; F305-V309 HydrophobicContact CZ-CG2 4.05Å; F305-V309 WeakPolarHBondContact O-CG2 3.4Å; F305-V309 PolarHBondContact O-N 3Å; N306-V309 PolarHBondContact O-N 2.96Å; V309-N312 PolarHBondContact O-N 3.33Å; V309-H313 WeakPolarHBondContact O-CB 3.36Å; V309-H313 PolarHBondContact O-N 3.09Å
310A32.6Very low40.5Very low49 Ų49100.6 Ų100.641%0.40551%0.51SS..Hα-helixtrans-63-43.1176.100000111.9N306 A307 N312 H313 M314N306-A310 VanDerWaalsContact O-CB 3.27Å; N306-A310 WeakPolarHBondContact O-CB 3.44Å; N306-A310 PolarHBondContact O-N 3.03Å; A307-A310 PolarHBondContact O-N 3.41Å; A310-N312 PolarHBondContact O-N 3.21Å; A310-H313 PolarHBondContact O-N 3.1Å; A310-M314 WeakPolarHBondContact O-CB 3.35Å; A310-M314 VanDerWaalsContact O-CG 3.28Å; A310-M314 WeakPolarHBondContact O-CG 3.21Å; A310-M314 PolarHBondContact O-N 3Å
311I40.3Very low40.3Very low88 Ų88101.6 Ų101.645%0.45152%0.516SS..Hα-helixtrans-60-45.6173.9-71.2163.2000110.5A307 T308 H313 M314 K315A307-I311 WeakPolarHBondContact O-CB 3.48Å; A307-I311 WeakPolarHBondContact O-CD1 3.35Å; A307-I311 WeakPolarHBondContact O-CG1 3.24Å; A307-I311 PolarHBondContact O-N 3.33Å; T308-I311 PolarHBondContact O-N 3.37Å; I311-H313 VanDerWaalsContact C-N 3.35Å; I311-H313 PolarHBondContact O-N 3.2Å; I311-M314 PolarHBondContact O-N 3.44Å; I311-K315 HydrophobicContact CG2-CD 4.17Å; I311-K315 HydrophobicContact CG2-CG 4.47Å; I311-K315 WeakPolarHBondContact O-CB 3.26Å; I311-K315 WeakPolarHBondContact O-CG 3.49Å; I311-K315 PolarHBondContact O-N 3.1Å
312N31.9Very low41.2Very low93 Ų9395.3 Ų95.350%0.49750%0.504SS..Hα-helixtrans-65.9-38.1178.6-74.8-18.2000112.2T308 V309 A310 K316T308-N312 WeakPolarHBondContact O-CB 3.4Å; T308-N312 VanDerWaalsContact O-CG 3.31Å; T308-N312 PolarHBondContact O-N 3.47Å; T308-N312 PolarHBondContact O-ND2 2.94Å; V309-N312 PolarHBondContact O-N 3.33Å; A310-N312 PolarHBondContact O-N 3.21Å; N312-K316 WeakPolarHBondContact O-CB 3.4Å; N312-K316 PolarHBondContact O-N 2.61Å
313H38.6Very low41.8Very low113 Ų11396.2 Ų96.252%0.52351%0.51SS..Hα-helixtrans-66.3-43174.4-171.5-102.5000111.6V309 A310 I311 K316 L317V309-H313 WeakPolarHBondContact O-CB 3.36Å; V309-H313 PolarHBondContact O-N 3.09Å; A310-H313 PolarHBondContact O-N 3.1Å; I311-H313 VanDerWaalsContact C-N 3.35Å; I311-H313 PolarHBondContact O-N 3.2Å; H313-K316 WeakPolarHBondContact O-CB 3.38Å; H313-K316 PolarHBondContact O-N 3.49Å; H313-L317 WeakPolarHBondContact O-CG 3.48Å; H313-L317 PolarHBondContact O-N 3.21Å
314M42Very low41.9Very low116 Ų11697 Ų9757%0.57152%0.517SS*.Hα-helixtrans-65.5-40.3175.4-72.9-179.675.300112.2A310 I311 K316 L317 Q318A310-M314 WeakPolarHBondContact O-CB 3.35Å; A310-M314 VanDerWaalsContact O-CG 3.28Å; A310-M314 WeakPolarHBondContact O-CG 3.21Å; A310-M314 PolarHBondContact O-N 3Å; I311-M314 PolarHBondContact O-N 3.44Å; M314-K316 VanDerWaalsContact C-N 3.33Å; M314-K316 PolarHBondContact O-N 2.63Å; M314-L317 PolarHBondContact O-N 3.4Å; M314-Q318 WeakPolarHBondContact O-CB 3.17Å; M314-Q318 WeakPolarHBondContact O-CG 3.23Å; M314-Q318 PolarHBondContact O-N 2.98Å
315K40.8Very low42.7Very low113 Ų11397.6 Ų97.649%0.49151%0.514SS..Hα-helixtrans-60.9-42171.8-78.31791791790111.5I311 Q318 L319I311-K315 HydrophobicContact CG2-CD 4.17Å; I311-K315 HydrophobicContact CG2-CG 4.47Å; I311-K315 WeakPolarHBondContact O-CB 3.26Å; I311-K315 WeakPolarHBondContact O-CG 3.49Å; I311-K315 PolarHBondContact O-N 3.1Å; K315-Q318 PolarHBondContact O-N 3.4Å; K315-L319 WeakPolarHBondContact O-CB 3.15Å; K315-L319 VanDerWaalsContact O-CG 3.29Å; K315-L319 WeakPolarHBondContact O-CG 3.47Å; K315-L319 PolarHBondContact O-N 3.37Å
316K48Very low43.7Very low154 Ų15495.2 Ų95.267%0.6751%0.511SS*.Hα-helixtrans-64.8-38.9176.7-167.3176.3-178.3-179.10112N312 H313 M314 A320N312-K316 WeakPolarHBondContact O-CB 3.4Å; N312-K316 PolarHBondContact O-N 2.61Å; H313-K316 WeakPolarHBondContact O-CB 3.38Å; H313-K316 PolarHBondContact O-N 3.49Å; M314-K316 VanDerWaalsContact C-N 3.33Å; M314-K316 PolarHBondContact O-N 2.63Å; K316-A320 WeakPolarHBondContact O-CB 3.33Å; K316-A320 PolarHBondContact O-N 2.93Å
317L43.8Very low44.5Very low98 Ų9896.8 Ų96.851%0.51351%0.513SS..Hα-helixtrans-68.5-38.4173.5-72173.1000112.3H313 M314 A320 H321H313-L317 WeakPolarHBondContact O-CG 3.48Å; H313-L317 PolarHBondContact O-N 3.21Å; M314-L317 PolarHBondContact O-N 3.4Å; L317-A320 PolarHBondContact O-N 2.84Å; L317-H321 WeakPolarHBondContact O-CB 3.41Å; L317-H321 PolarHBondContact O-N 2.97Å
318Q46.9Very low45.3Very low125 Ų12598 Ų9858%0.58452%0.522SS*.Hα-helixtrans-64.7-44174.3-77.6177.8-2600111.6M314 K315 H321 S322M314-Q318 WeakPolarHBondContact O-CB 3.17Å; M314-Q318 WeakPolarHBondContact O-CG 3.23Å; M314-Q318 PolarHBondContact O-N 2.98Å; K315-Q318 PolarHBondContact O-N 3.4Å; Q318-H321 PolarHBondContact O-N 3.47Å; Q318-S322 WeakPolarHBondContact O-CB 3.47Å; Q318-S322 PolarHBondContact O-N 3.2Å; Q318-S322 PolarHBondContact O-OG 2.86Å; Q318-S322 VanDerWaalsContact O-OG 3.13Å
319L55.6Low46.1Very low112 Ų112101.7 Ų101.759%0.58653%0.534SS*.Hα-helixtrans-62.6-43.5174.8-72.5165.4000111.6K315 H321 S322 E323K315-L319 WeakPolarHBondContact O-CB 3.15Å; K315-L319 VanDerWaalsContact O-CG 3.29Å; K315-L319 WeakPolarHBondContact O-CG 3.47Å; K315-L319 PolarHBondContact O-N 3.37Å; L319-H321 VanDerWaalsContact C-N 3.31Å; L319-H321 PolarHBondContact O-N 3.45Å; L319-S322 PolarHBondContact O-N 3.38Å; L319-E323 WeakPolarHBondContact O-CG 3.1Å; L319-E323 PolarHBondContact O-N 3.42Å
320A51.8Low46.6Very low41 Ų41103.3 Ų103.334%0.33954%0.544SS..Hα-helixtrans-63-37.8174.600000112.1K316 L317 E323 L324K316-A320 WeakPolarHBondContact O-CB 3.33Å; K316-A320 PolarHBondContact O-N 2.93Å; L317-A320 PolarHBondContact O-N 2.84Å; A320-E323 PolarHBondContact O-N 2.66Å; A320-L324 WeakPolarHBondContact O-CB 3.42Å; A320-L324 VanDerWaalsContact O-CG 3.23Å; A320-L324 WeakPolarHBondContact O-CG 3.44Å; A320-L324 PolarHBondContact O-N 3.14Å
321H49Very low47.3Very low130 Ų130107.5 Ų107.560%0.60256%0.559SS**Hα-helixtrans-70.4-35.5176.3-149.4-66000111.9L317 Q318 L319 V325L317-H321 WeakPolarHBondContact O-CB 3.41Å; L317-H321 PolarHBondContact O-N 2.97Å; Q318-H321 PolarHBondContact O-N 3.47Å; L319-H321 VanDerWaalsContact C-N 3.31Å; L319-H321 PolarHBondContact O-N 3.45Å; H321-V325 WeakPolarHBondContact O-CG2 3.48Å; H321-V325 PolarHBondContact O-N 3.31Å
322S53.1Low47.2Very low72 Ų72110.7 Ų110.750%0.50358%0.578SS.*Hα-helixtrans-66.2-42.3171.5-66.20000111.9Q318 L319 L324 V325 V326Q318-S322 WeakPolarHBondContact O-CB 3.47Å; Q318-S322 PolarHBondContact O-N 3.2Å; Q318-S322 PolarHBondContact O-OG 2.86Å; Q318-S322 VanDerWaalsContact O-OG 3.13Å; L319-S322 PolarHBondContact O-N 3.38Å; S322-L324 VanDerWaalsContact C-N 3.35Å; S322-L324 PolarHBondContact O-N 2.84Å; S322-V325 PolarHBondContact O-N 3.14Å; S322-V326 VanDerWaalsContact O-CG2 3.29Å; S322-V326 WeakPolarHBondContact O-CG2 2.99Å; S322-V326 PolarHBondContact O-N 3.16Å
323E55.7Low46.9Very low127 Ų127113.9 Ų113.959%0.59359%0.591SS**Hα-helixtrans-64.4-37175.4-77-178.9-177.500112.7L319 A320 K327L319-E323 WeakPolarHBondContact O-CG 3.1Å; L319-E323 PolarHBondContact O-N 3.42Å; A320-E323 PolarHBondContact O-N 2.66Å; E323-K327 WeakPolarHBondContact O-CB 3.4Å; E323-K327 PolarHBondContact O-N 2.99Å
324L51.8Low46.6Very low116 Ų116114.1 Ų114.161%0.60760%0.603SS**Hα-helixtrans-69.8-36.9175-72.3169.4000112.2A320 S322 K327 A328A320-L324 WeakPolarHBondContact O-CB 3.42Å; A320-L324 VanDerWaalsContact O-CG 3.23Å; A320-L324 WeakPolarHBondContact O-CG 3.44Å; A320-L324 PolarHBondContact O-N 3.14Å; S322-L324 VanDerWaalsContact C-N 3.35Å; S322-L324 PolarHBondContact O-N 2.84Å; L324-K327 PolarHBondContact O-N 2.82Å; L324-A328 VanDerWaalsContact O-CB 3.29Å; L324-A328 WeakPolarHBondContact O-CB 3.3Å; L324-A328 PolarHBondContact O-N 3.35Å
325V53.4Low46Very low68 Ų68114 Ų11441%0.41261%0.608SS.*Hα-helixtrans-68.1-39.9174.9170.40000111.1H321 S322 A328 Q329H321-V325 WeakPolarHBondContact O-CG2 3.48Å; H321-V325 PolarHBondContact O-N 3.31Å; S322-V325 PolarHBondContact O-N 3.14Å; V325-A328 PolarHBondContact O-N 3.02Å; V325-Q329 WeakPolarHBondContact O-CG 3.49Å; V325-Q329 PolarHBondContact O-N 3.48Å; V325-Q329 VanDerWaalsContact O-N 3.09Å
326V53.7Low45.7Very low87 Ų87115.5 Ų115.553%0.52762%0.621SS.*Hα-helixtrans-66.4-42.7174.5172.70000111.1S322 A328 Q329 T330S322-V326 VanDerWaalsContact O-CG2 3.29Å; S322-V326 WeakPolarHBondContact O-CG2 2.99Å; S322-V326 PolarHBondContact O-N 3.16Å; V326-A328 PolarHBondContact O-N 2.94Å; V326-Q329 PolarHBondContact O-N 3.49Å; V326-T330 PolarHBondContact O-N 3.15Å; V326-T330 VanDerWaalsContact O-N 3.14Å; V326-T330 PolarHBondContact O-OG1 3.47Å
327K49.4Very low44.9Very low134 Ų134116.9 Ų116.958%0.58363%0.629SS**Hα-helixtrans-64.5-36.5175.3-85.7178175.6171.70113.3E323 L324 Q329 T330E323-K327 WeakPolarHBondContact O-CB 3.4Å; E323-K327 PolarHBondContact O-N 2.99Å; L324-K327 PolarHBondContact O-N 2.82Å; K327-Q329 VanDerWaalsContact C-N 3.32Å; K327-T330 WeakPolarHBondContact CA-OG1 3.33Å; K327-T330 PolarHBondContact O-N 3.08Å; K327-T330 PolarHBondContact O-OG1 3.22Å
328A47.6Very low44.2Very low73 Ų73117.5 Ų117.560%0.60364%0.637SS**Hα-helixtrans-71.1-26.417600000112.8L324 V325 V326L324-A328 VanDerWaalsContact O-CB 3.29Å; L324-A328 WeakPolarHBondContact O-CB 3.3Å; L324-A328 PolarHBondContact O-N 3.35Å; V325-A328 PolarHBondContact O-N 3.02Å; V326-A328 PolarHBondContact O-N 2.94Å
329Q45.7Very low43.5Very low154 Ų154118.8 Ų118.872%0.7265%0.646SS**Hα-helixtrans-79.9-23.5173.3-76.1176-15.400113.3V325 V326 K327V325-Q329 WeakPolarHBondContact O-CG 3.49Å; V325-Q329 PolarHBondContact O-N 3.48Å; V325-Q329 VanDerWaalsContact O-N 3.09Å; V326-Q329 PolarHBondContact O-N 3.49Å; K327-Q329 VanDerWaalsContact C-N 3.32Å
330T46.1Very low42.2Very low106 Ų106120 Ų12065%0.6565%0.653SS**SBendtrans-82.3-6.7176.749.30000115V326 K327V326-T330 PolarHBondContact O-N 3.15Å; V326-T330 VanDerWaalsContact O-N 3.14Å; V326-T330 PolarHBondContact O-OG1 3.47Å; K327-T330 WeakPolarHBondContact CA-OG1 3.33Å; K327-T330 PolarHBondContact O-N 3.08Å; K327-T330 PolarHBondContact O-OG1 3.22Å
331L47.7Very low41.1Very low137 Ų137123.5 Ų123.572%0.71767%0.67SS**SBendtrans-111.970.7178.9-74.2165.9000110.5
332N38.3Very low40.1Very low156 Ų156122.8 Ų122.883%0.83468%0.68SS**  trans-168.997.5155.9-101-13.7000111.7
333M26.4Very low39Very low160 Ų160124.8 Ų124.879%0.78869%0.694SS**  trans165.5114.3140.7-96.5-83.3-76.700110
334P31.5Very low38.4Very low117 Ų117124.6 Ų124.676%0.7670%0.704SS**  trans-83.4115.6161.530.7-24.6000109.1I336P334-I336 PolarHBondContact O-N 3.44Å
335T30.3Very low37.2Very low113 Ų113123.2 Ų123.269%0.69371%0.709SS**  trans-80.5111.5170.4-53.80000109.1Q337T335-Q337 HydrophobicContact CG2-CG 4.39Å
336I34.9Very low36.1Very low146 Ų146127.4 Ų127.475%0.74973%0.729SS**  trans-72.9127.3166.2-70167000108.5P334 V338P334-I336 PolarHBondContact O-N 3.44Å; I336-V338 HydrophobicContact CG2-CG2 4.01Å
337Q30.8Very low34.9Very low182 Ų182127.1 Ų127.185%0.8573%0.731SS**  trans-137.2143.2157.8-74.4-160.1-5.500111.2T335T335-Q337 HydrophobicContact CG2-CG 4.39Å
338V28.7Very low34.1Very low111 Ų111129.4 Ų129.467%0.67374%0.743SS**  trans-122.9115.7-161.1164.60000108.1I336I336-V338 HydrophobicContact CG2-CG2 4.01Å
339I31.3Very low33Very low152 Ų152133.4 Ų133.478%0.77976%0.755SS**  trans43.7156.6149.69.8173.1000121
340D29.8Very low32.8Very low138 Ų138131.5 Ų131.574%0.73876%0.756SS**  cis-167.6172.91.8-157.1-2.1000111.2
341V28.4Very low32.8Very low114 Ų114131.7 Ų131.769%0.69176%0.759SS**  trans81.2113.8154.6-136.10000121.9
342S28.6Very low32.1Very low116 Ų116132.5 Ų132.581%0.81176%0.764SS**  142.1122.3113.956.60000115.6
343S29.2Very low32.5Very low114 Ų114129.5 Ų129.580%0.79775%0.753SS**  trans-84.4167.5164-43.40000110.3
344P42.1Very low32.8Very low123 Ų123129 Ų12980%0.79975%0.754SS**  -151.8152.673.235.4-13.2000118.7
345A28.3Very low32.8Very low87 Ų87133.9 Ų133.972%0.71976%0.757SS**  trans30.4133.4137.100000124.5
346N30.1Very low32.9Very low156 Ų156135.9 Ų135.983%0.83476%0.762SS**  156.2149122.2-90.6-12.2000109.8
347S28.3Very low32.9Very low81 Ų81136.9 Ų136.957%0.56676%0.764SS**  cis-176.9163-9.146.60000107.7
348H31.3Very low33.6Very low181 Ų181133.2 Ų133.284%0.83876%0.756SS**  trans99.2112.1158-59.7-62000122
349N25.3Very low33.7Very low157 Ų157137.3 Ų137.384%0.8477%0.765SS**  trans-91.6-170.6160-86.3-14.8000110.2
350P41.3Very low33.6Very low115 Ų115133.1 Ų133.175%0.74776%0.758SS**  cis-139.7-147.9-11.7253.9000112.6
351P45.7Very low33.7Very low110 Ų110133.3 Ų133.371%0.71476%0.759SS**  -136.9172.6-65.441.2-24.3000117.3
352D32.7Very low33.8Very low153 Ų153135.9 Ų135.982%0.81876%0.764SS**  trans58.2168.6142-104.5-10.4000124
353P48.4Very low34Very low93 Ų93137.4 Ų137.460%0.60476%0.762SS**  cis-136.6165-25.530.3-10.5000114.6
354D32.7Very low34Very low151 Ų151138.7 Ų138.781%0.80777%0.765SS**  -178.6101.6127.8-102.9-21.7000114.1
355R31.4Very low33.4Very low219 Ų219140.4 Ų140.483%0.82677%0.766SS**  40.6115.8127-115.2-177.7177.4177.7-0.6122
356L32.4Very low34Very low154 Ų154141.8 Ų141.881%0.80677%0.768SS**  155.6112.1104-86156.1000111.9
357E33.8Very low34Very low168 Ų168141.8 Ų141.879%0.78577%0.767SS**  trans-88.9173.8150.2-54-155147.600110.3
358P46.8Very low34Very low104 Ų104142.9 Ų142.968%0.67577%0.774SS**  -147.614975.425.7-1.7000117.7
359K30.3Very low33.9Very low198 Ų198139.2 Ų139.286%0.86177%0.769SS**  trans68.2134.9134.3-63.9170.6-175.1-176.40118.8
360G27.9Very low34.1Very low63 Ų63142 Ų14265%0.64977%0.768SS**  cis142.3150.25.700000111.3
361N32.6Very low33.6Very low142 Ų142142.8 Ų142.876%0.75977%0.765SS**  trans79.8145.8152.9-66.5-1.9000119.2
362Q30.5Very low32.8Very low169 Ų169143 Ų14379%0.7977%0.765SS**  cis-168.3165.4-9.5-117.5171.212.400109.2
363I34.1Very low32.6Very low148 Ų148144.6 Ų144.676%0.75977%0.765SS**  trans-68.8149.1178.1-63.1151.4000113.8
364T27.4Very low31.6Very low141 Ų141144.2 Ų144.287%0.86576%0.764SS**  177.2144.7126.519.20000115.7
365L31.1Very low31.5Very low158 Ų158146 Ų14683%0.82777%0.767SS**  trans-86.4158.1158.8-84.6158.2000109.1
366P39.9Very low31.5Very low116 Ų116144.5 Ų144.575%0.75377%0.769SS**  -159.8166.872.140-16.7000120
367I30.2Very low32Very low157 Ų157142.3 Ų142.381%0.80576%0.764SS**  trans26.2125.3139.6-59.4164.5000122.8
368S29.1Very low31.7Very low103 Ų103141.9 Ų141.972%0.7277%0.767SS**  134.7118.8122.563.10000119.9
369S27.8Very low30.8Very low105 Ų105146 Ų14673%0.73477%0.774SS**  68.2137.7125.174.40000126
370R31.1Very low30.6Very low215 Ų215144.1 Ų144.181%0.81177%0.772SS**  trans87.5109.4150.4-73.5-166.6173163-1119.3
371D29.7Very low30.5Very low131 Ų131146.6 Ų146.670%0.70178%0.779SS**  91.2140.992.9-79.5-25.6000110.6
372T28.6Very low30.3Very low115 Ų115148.2 Ų148.271%0.70678%0.782SS**  cis-173172.416.125.80000109.4
373K29.3Very low30.2Very low187 Ų187145.8 Ų145.881%0.81378%0.784SS**  trans94.3102.6157.6-61.9-169-178.71770117.2
374S27.3Very low30Very low85 Ų85147.6 Ų147.659%0.59479%0.789SS**  81.4108.666720000114.3
375H31Very low30.5Very low189 Ų189147.1 Ų147.188%0.87579%0.788SS**  176.4150.5106.3-94.7-65.5000112.1
376Q30.4Very low30.3Very low186 Ų186143.2 Ų143.287%0.86978%0.779SS**  trans-102.2-173.4-165.3-118.9-164.6-15.200111.2
377P42.1Very low29.8Very low108 Ų108146.3 Ų146.370%0.70178%0.783SS**  trans-113175.5-138.741.6-26.6000114.7
378L27.6Very low29.5Very low159 Ų159142.6 Ų142.683%0.83278%0.776SS**  trans-150.6151.3173-77.2167.7000107.9
379K27.8Very low29.3Very low191 Ų191146.5 Ų146.583%0.8378%0.783SS**  cis-171.6153.9-20.2-140.2-176.6-166.6176.20105
380I27.2Very low29.2Very low159 Ų159146.9 Ų146.982%0.81578%0.78SS**  trans-63.3147.7172.1-69.8155.3000111.3
381S25.7Very low29Very low115 Ų115144.7 Ų144.780%0.80478%0.784SS**  trans-144131.8155.7-170.50000111.7
382Q27.8Very low28.7Very low176 Ų176142.5 Ų142.582%0.82278%0.784SS**  trans-90.6153.6170.5-70173.5-31.500110.2
383S28.8Very low28.5Very low118 Ų118146.3 Ų146.383%0.82579%0.794SS**  trans-177.7128.9138.928.10000112.1
384E29Very low28.3Very low185 Ų185144.1 Ų144.186%0.86480%0.796SS**  trans-85.5168.4147.4-64.1-175.7141.500108.9
385P38.5Very low28.2Very low131 Ų131143.9 Ų143.985%0.85181%0.807SS**  -148.1176.987.234.7-13.7000115.8
386A26.7Very low27.9Very low76 Ų76143.9 Ų143.963%0.62881%0.805SS**  trans-88.2174.8-173.300000116.5
387H29.2Very low27.7Very low181 Ų181146 Ų14684%0.83881%0.806SS**  trans110.9108150.9-67.7-67.5000120.9
388A24.2Very low26.9Very low80 Ų80145 Ų14566%0.66181%0.808SS**  35132.7128.600000122.4
389H25.8Very low26.7Very low185 Ų185147.6 Ų147.686%0.85681%0.808SS**  -173.9151.2113.8-100.4-72.5000114.1
390T24.7Very low26.6Very low112 Ų112147.7 Ų147.769%0.68781%0.811SS**  trans-57.6148.5-179.7-30.30000116.9
391L26.4Very low26.5Very low170 Ų170145.2 Ų145.289%0.8981%0.807SS**  165.7150.7116.8-93.6156.6000113.6
392A23.8Very low26.5Very low85 Ų85148.7 Ų148.770%0.70281%0.811SS**  trans-78.8157.5-173.400000113.4
393E25.2Very low26.6Very low195 Ų195145.8 Ų145.891%0.91181%0.808SS**  trans-164.9148133.5-116.3174.5-174.500113.3
394T24.8Very low26.5Very low141 Ų141145.2 Ų145.287%0.86581%0.81SS**  trans-74.2149.3-178.1450000113.8
395G25Very low26.4Very low80 Ų80144 Ų14483%0.82581%0.81SS**  trans-172.2103.5165.700000114.2
396K24.7Very low25.9Very low189 Ų189145 Ų14582%0.82281%0.807SS**  trans-59153.9166.2-68.4169.5172.11750111.1
397Y27.1Very low25.9Very low230 Ų230147.5 Ų147.590%0.90281%0.81SS**  trans167.8106.6136.1-80-59.7000106.8
398A25.5Very low25.7Very low88 Ų88145.9 Ų145.973%0.72781%0.813SS**  93.7121.584.700000112.2
399Y23.6Very low25.9Very low212 Ų212153.1 Ų153.183%0.83183%0.825SS**  trans-60.4140.4176.5-79.3-104.5000112.1
400H25.2Very low25.9Very low193 Ų193155.9 Ų155.989%0.89483%0.827SS**  trans-142.2110.2146.2-88.8-68.9000109.3
401S24.6Very low26.1Very low107 Ų107155 Ų15575%0.74883%0.832SS**  trans-94.9130.8163.7-520000107.2
402E26.7Very low26.3Very low188 Ų188154 Ų15488%0.87983%0.833SS**  trans-130.3144.3157.7-91.8-160.5161.400110.4
403P28.5Very low26.4Very low116 Ų116153.5 Ų153.575%0.75384%0.836SS**PPolyproline II helixtrans-92137.2-169.535.8-30.6000111.3
404A27.3Very low26.6Very low106 Ų106151.7 Ų151.788%0.87683%0.833SS**PPolyproline II helixtrans-96117166.600000109.9
405N26.6Very low26.9Very low160 Ų160156.8 Ų156.886%0.85684%0.836SS**PPolyproline II helixtrans-59.3151.9-178.7-91.3-57.6000114.8
406L27.5Very low27.1Very low150 Ų150160.2 Ų160.279%0.78584%0.835SS**PPolyproline II helixtrans-63.9161168.8-139.878.1000112.8
407N27.2Very low27.4Very low130 Ų130154.8 Ų154.870%0.69583%0.833SS**  trans91.3103161.5-64.2-22.5000118.9
408T26.2Very low27.5Very low147 Ų147152.9 Ų152.990%0.90283%0.833SS**  -158.296.2117.46.70000110.9
409Y28Very low27.8Very low232 Ų232155.5 Ų155.591%0.9184%0.839SS**  trans-79.4124153.1-87.1-87.5000108
410R25.3Very low28.1Very low242 Ų242152.7 Ų152.791%0.91384%0.838SS**  trans-143.3117.3154-137.6178.9-172.5179.42.4110
411A28.4Very low28.2Very low94 Ų94152.3 Ų152.378%0.77784%0.836SS**  trans-79.6133.7172.500000110.9
412T30.3Very low28.5Very low149 Ų149153.6 Ų153.691%0.91484%0.84SS**  trans-172.4130.7150.347.20000103.9
413G26.8Very low28.5Very low75 Ų75148.4 Ų148.477%0.77384%0.837SS**  cis140.3112.235.400000105.5
414N29.5Very low28.4Very low157 Ų157149.9 Ų149.984%0.8484%0.844SS**  trans11.7121.1159.6-132.45.4000119.7
415R30.2Very low28.3Very low248 Ų248150.7 Ų150.794%0.93684%0.841SS**  trans-162.6130.8142.5-114.1173.9-176.6-171.60.7114
416N30.2Very low28.2Very low152 Ų152148.5 Ų148.581%0.81384%0.838SS**  trans-32.4138175.4-64.2-21.3000119
417G30.6Very low28.2Very low75 Ų75147.6 Ų147.677%0.77384%0.839SS**  64.8101.8118.500000119
418Q28.6Very low28.2Very low190 Ų190153.7 Ų153.789%0.88887%0.866SS**  trans-161.4126.2138.1-110.5170.19.900110.8
419V32.2Very low28.3Very low143 Ų143154 Ų15487%0.86786%0.864SS**  trans-78.4119.9174176.70000107.7
420L29.9Very low28.3Very low153 Ų153149.9 Ų149.980%0.80186%0.862SS**  trans-107.8105.7169.8-84.7161000109.3
421Q27.5Very low28.4Very low185 Ų185144.8 Ų144.886%0.86486%0.859SS**  trans-59.9130.7158.7-83.5175.3-35.200109.2
422T30.6Very low28.4Very low133 Ų133147.8 Ų147.882%0.81686%0.864SS**  trans-128.1122.5160.753.30000109.5
423G26.3Very low28.3Very low80 Ų80147.7 Ų147.783%0.82586%0.861SS**  trans-71.3153.6-167.800000115.1
424V27.4Very low28.4Very low147 Ų147152.5 Ų152.589%0.89187%0.867SS**  trans-78.1123.2169.8-179.90000108.1
425C24.3Very low28.4Very low122 Ų122152.2 Ų152.282%0.82487%0.869SS**  trans-106.2110.4167.1-152.30000108.5
426S24.3Very low28.2Very low114 Ų114144.8 Ų144.880%0.79786%0.863SS**  trans-86.5131.5171-1550000107.5
427V27.6Very low28Very low131 Ų131144.3 Ų144.379%0.79487%0.868SS**  trans-122.5134.3166.9-173.50000108.2
428M27.2Very low27.8Very low258 Ų258150.5 Ų150.5100%1.27188%0.876SS**  trans-60.60-171.3-63.1173.8-167.100114.5

Retrieved 428 of 428 residues in 1126.4 ms (Link to these results)

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