A0A087YMI3_POEFO Loading...

phosphatidylinositol-4,5-bisphosphate 3-kinase

AlphaFold DB , UniProt , Accession A0A087YMI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,041 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
1M22.6Very low41.5Very low234 Ų234113.6 Ų113.6100%1.15361%0.611SS**  0137.90-71-179.6-116.300107.1
2P24.1Very low43.8Very low114 Ų114106.1 Ų106.174%0.7457%0.567SS**PPolyproline II helixtrans-56.2148.5159.627.3-30.2000107.6G4P2-G4 PolarHBondContact O-N 3.17Å; P2-G4 VanDerWaalsContact O-N 3.14Å
3P29.8Very low44.6Very low126 Ų126106.3 Ų106.382%0.81856%0.563SS**PPolyproline II helixtrans-51.5128.4170.422.2-30000107.3
4G31.6Very low45.4Very low45 Ų45105.9 Ų105.946%0.46456%0.556SS.*PPolyproline II helixtrans-53.2144.7178.700000109.3P2 Y6P2-G4 PolarHBondContact O-N 3.17Å; P2-G4 VanDerWaalsContact O-N 3.14Å; G4-Y6 PolarHBondContact O-N 3.03Å
5K36.1Very low45.6Very low154 Ų154105 Ų10567%0.6755%0.552SS**SBendtrans-59.690169.7-74-164.9171-149.20108.2E13K5-E13 IonicContact NZ-OE1 3.26Å; K5-E13 IonicContact NZ-OE2 2.7Å; K5-E13 PolarHBondContact NZ-OE2 3.29Å
6Y40.8Very low46.2Very low191 Ų191100.9 Ų100.975%0.74954%0.543SS*.  trans-132.3125.7175.2-72.1-74.9000107.2G4 F95G4-Y6 PolarHBondContact O-N 3.03Å; Y6-F95 WeakPolarHBondContact O-CE2 3.49Å
7G48.3Very low46.6Very low48 Ų48102.8 Ų102.850%0.49555%0.553SS.*SBendtrans122.4-180-179.600000113.2Q9G7-Q9 PolarHBondContact O-N 3.19Å
8T51.8Low47.7Very low35 Ų35106.1 Ų106.122%0.21556%0.556CS.*THydrogen-bonded Turntrans-70.528.1-179.755.30000113.2E10 E11 W12 F95T8-E10 PolarHBondContact O-N 2.67Å; T8-E11 VanDerWaalsContact CB-OE2 3.29Å; T8-E11 WeakPolarHBondContact CB-OE2 3.48Å; T8-E11 HydrophobicContact CG2-CG 4.15Å; T8-E11 VanDerWaalsContact CG2-OE2 3.27Å; T8-E11 WeakPolarHBondContact CG2-OE2 3.36Å; T8-E11 WeakPolarHBondContact O-CA 3.41Å; T8-E11 VanDerWaalsContact O-CB 3.27Å; T8-E11 WeakPolarHBondContact O-CB 3.18Å; T8-E11 PolarHBondContact O-N 2.97Å; T8-W12 VanDerWaalsContact O-CD1 3.27Å; T8-W12 PolarHBondContact O-N 3.21Å; T8-F95 PolarHBondContact OG1-O 2.9Å
9Q52.8Low49.5Very low71 Ų71107.4 Ų107.433%0.33256%0.559SS.*Hα-helixtrans-59.1-34.1179.4-154.717217.600111.2G7 E11 W12 E13G7-Q9 PolarHBondContact O-N 3.19Å; Q9-E11 VanDerWaalsContact C-N 3.33Å; Q9-E11 PolarHBondContact O-N 3.2Å; Q9-W12 PolarHBondContact O-N 3.11Å; Q9-W12 VanDerWaalsContact O-N 3.16Å; Q9-E13 WeakPolarHBondContact O-CB 3.46Å; Q9-E13 VanDerWaalsContact O-CG 3.26Å; Q9-E13 WeakPolarHBondContact O-CG 3.27Å; Q9-E13 PolarHBondContact O-N 2.93Å
10E56.2Low51.5Low144 Ų144102.7 Ų102.767%0.67354%0.535SS*.Hα-helixtrans-62.8-35.7170.5-66.8-176.1174.800112.9T8 W12 E13 Q14T8-E10 PolarHBondContact O-N 2.67Å; E10-W12 PolarHBondContact O-N 2.8Å; E10-E13 PolarHBondContact O-N 3.05Å; E10-Q14 WeakPolarHBondContact O-CG 3.46Å; E10-Q14 PolarHBondContact O-N 3.44Å
11E62.4Low53.4Low88 Ų88104.4 Ų104.441%0.41154%0.535SS..Hα-helixtrans-68.3-22.2175.9-59.3-172.2157.800112.2T8 Q9 R38 C97T8-E11 VanDerWaalsContact CB-OE2 3.29Å; T8-E11 WeakPolarHBondContact CB-OE2 3.48Å; T8-E11 HydrophobicContact CG2-CG 4.15Å; T8-E11 VanDerWaalsContact CG2-OE2 3.27Å; T8-E11 WeakPolarHBondContact CG2-OE2 3.36Å; T8-E11 WeakPolarHBondContact O-CA 3.41Å; T8-E11 VanDerWaalsContact O-CB 3.27Å; T8-E11 WeakPolarHBondContact O-CB 3.18Å; T8-E11 PolarHBondContact O-N 2.97Å; Q9-E11 VanDerWaalsContact C-N 3.33Å; Q9-E11 PolarHBondContact O-N 3.2Å; E11-R38 PolarHBondContact O-NH2 3.43Å; E11-C97 PolarHBondContact OE2-SG 3.36Å
12W68.6Low56.8Low23 Ų2393.3 Ų93.39%0.08748%0.48CS..Hα-helixtrans-93.5-24.1173.9-60.2113.6000113.1T8 Q9 E10 I20 R38 I89 R93 P94 C97T8-W12 VanDerWaalsContact O-CD1 3.27Å; T8-W12 PolarHBondContact O-N 3.21Å; Q9-W12 PolarHBondContact O-N 3.11Å; Q9-W12 VanDerWaalsContact O-N 3.16Å; E10-W12 PolarHBondContact O-N 2.8Å; W12-I20 HydrophobicContact CE3-CD1 3.89Å; W12-I20 HydrophobicContact CH2-CD1 3.47Å; W12-I20 VanDerWaalsContact CH2-CD1 3.47Å; W12-I20 HydrophobicContact CZ2-CD1 4.35Å; W12-I20 HydrophobicContact CZ3-CD1 3.21Å; W12-R38 PolarHBondContact O-NH2 3.24Å; W12-I89 HydrophobicContact CH2-CG1 3.85Å; W12-I89 HydrophobicContact CZ3-CG1 4.41Å; W12-R93 HydrophobicContact CD2-CB 4.42Å; W12-R93 HydrophobicContact CD2-CG 4.5Å; W12-P94 HydrophobicContact CH2-CG 4.28Å; W12-P94 VanDerWaalsContact CZ2-CD 3.49Å; W12-P94 HydrophobicContact CZ2-CG 3.75Å; W12-P94 PolarHBondContact NE1-O 3.31Å; W12-C97 VanDerWaalsContact CZ2-SG 3.58Å
13E55.2Low60.2Low109 Ų10989.7 Ų89.751%0.50946%0.455SS..Hα-helixtrans-84.2-20.1-178.8-76.5177.4-178.800114.1K5 Q9 E10K5-E13 IonicContact NZ-OE1 3.26Å; K5-E13 IonicContact NZ-OE2 2.7Å; K5-E13 PolarHBondContact NZ-OE2 3.29Å; Q9-E13 WeakPolarHBondContact O-CB 3.46Å; Q9-E13 VanDerWaalsContact O-CG 3.26Å; Q9-E13 WeakPolarHBondContact O-CG 3.27Å; Q9-E13 PolarHBondContact O-N 2.93Å; E10-E13 PolarHBondContact O-N 3.05Å
14Q54.9Low63.5Low100 Ų10083.7 Ų83.747%0.46742%0.416SS..SBendtrans-75.4131.9174.5-69.9-179.322.800111.3E10 R38E10-Q14 WeakPolarHBondContact O-CG 3.46Å; E10-Q14 PolarHBondContact O-N 3.44Å; Q14-R38 PolarHBondContact O-NH1 2.92Å; Q14-R38 PolarHBondContact O-NH2 3.43Å
15D49.3Very low66.6Low93 Ų9384.7 Ų84.750%0.49741%0.41SS..  trans-93.1146.7-177.2-120.410000113Q719D15-Q719 PolarHBondContact OD2-NE2 2.89Å; D15-Q719 VanDerWaalsContact OD2-NE2 3.1Å
16G54.3Low69.4Low40 Ų4078 Ų7841%0.41238%0.381SS..SBendtrans130171.1175.200000115.8R18G16-R18 PolarHBondContact O-N 2.89Å
17D54.2Low72Confident132 Ų13272.1 Ų72.171%0.70637%0.367SS*.SBendtrans-78.342.3-179.6-139.817.2000112N39D17-N39 PolarHBondContact OD1-ND2 3.03Å
18R66.4Low74.1Confident162 Ų16271.7 Ų71.761%0.61136%0.355SS*.  trans-85.4135.1-178.4-74.7-176.5175.6179.4-1.2110.3G16 R38G16-R18 PolarHBondContact O-N 2.89Å; R18-R38 WeakPolarHBondContact O-CD 3.42Å; R18-R38 WeakPolarHBondContact O-CG 3.38Å
19E81.9Confident76Confident132 Ų13273.3 Ų73.362%0.61738%0.379SS*.EExtended strand (participates in β ladder)trans-66.8136.9169.7-65.6-178156.600110.6P35 V36E19-P35 HydrophobicContact CB-CB 3.71Å; E19-P35 HydrophobicContact CG-CB 4.2Å; E19-P35 VanDerWaalsContact OE2-CB 3.31Å; E19-P35 WeakPolarHBondContact OE2-CB 3.31Å; E19-V36 CarbonylContact C-O 3.59Å; E19-V36 VanDerWaalsContact CA-O 3.31Å; E19-V36 WeakPolarHBondContact CA-O 3.41Å
20I88.5Confident78Confident13 Ų1371.4 Ų71.47%0.06737%0.371CS..EExtended strand (participates in β ladder)trans-106.1132.2170.2-39.3168.5000108.3W12 M22 P35 V36 R38W12-I20 HydrophobicContact CE3-CD1 3.89Å; W12-I20 HydrophobicContact CH2-CD1 3.47Å; W12-I20 VanDerWaalsContact CH2-CD1 3.47Å; W12-I20 HydrophobicContact CZ2-CD1 4.35Å; W12-I20 HydrophobicContact CZ3-CD1 3.21Å; I20-M22 PolarHBondContact O-N 3.11Å; I20-P35 CarbonylContact O-C 3.55Å; I20-P35 WeakPolarHBondContact O-CA 3.38Å; I20-V36 PolarHBondContact N-O 2.85Å; I20-V36 PolarHBondContact O-N 3.37Å; I20-R38 HydrophobicContact CD1-CG 3.47Å; I20-R38 VanDerWaalsContact CD1-CG 3.47Å; I20-R38 HydrophobicContact CG1-CG 3.52Å
21Y90.9Very high79.9Confident139 Ų13969.6 Ų69.655%0.54536%0.361SS..EExtended strand (participates in β ladder)trans-72.7120.7170.8-83.9-97.2000109.9K33 P35Y21-K33 HydrophobicContact CD1-CG 4.26Å; Y21-P35 HydrophobicContact CE1-CG 4.47Å; Y21-P35 HydrophobicContact CE2-CB 4.31Å
22M94.1Very high81.5Confident0 Ų065.9 Ų65.90%034%0.343CS..EExtended strand (participates in β ladder)trans-114.5142.9177.6-69-165.282.700111.7I20 F24 K33 F34 V36 I89 P94 C97 L99I20-M22 PolarHBondContact O-N 3.11Å; M22-F24 HydrophobicContact CB-CE1 4.46Å; M22-F24 HydrophobicContact CB-CE2 3.73Å; M22-F24 HydrophobicContact CB-CZ 3.67Å; M22-F24 WeakPolarHBondContact O-CE2 3.49Å; M22-K33 WeakPolarHBondContact O-CA 3.5Å; M22-F34 PolarHBondContact N-O 3.41Å; M22-F34 PolarHBondContact O-N 3.1Å; M22-V36 HydrophobicContact CB-CG2 4.35Å; M22-V36 HydrophobicContact CG-CG2 3.63Å; M22-V36 HydrophobicContact SD-CG2 3.38Å; M22-V36 WeakPolarHBondContact SD-CG2 3.31Å; M22-I89 HydrophobicContact CE-CD1 3.73Å; M22-I89 HydrophobicContact CE-CG1 3.9Å; M22-I89 HydrophobicContact SD-CD1 4.12Å; M22-I89 HydrophobicContact SD-CG1 3.77Å; M22-P94 HydrophobicContact CE-CG 4.26Å; M22-C97 WeakPolarHBondContact CA-O 3.36Å; M22-C97 HydrophobicContact CG-CB 4.2Å; M22-L99 HydrophobicContact CE-CD1 3.99Å; M22-L99 HydrophobicContact CE-CD2 4.29Å; M22-L99 HydrophobicContact CE-CG 3.67Å
23D96.8Very high82.9Confident38 Ų3870.4 Ų70.420%0.20336%0.364CS..EExtended strand (participates in β ladder)trans-96.5129.1175.5-67.6-17.1000109.1F31 K33 C97 V98 L99D23-F31 HydrophobicContact CB-CE2 3.69Å; D23-F31 HydrophobicContact CB-CZ 4.12Å; D23-F31 WeakPolarHBondContact OD1-CZ 3.44Å; D23-K33 WeakPolarHBondContact OD1-CD 3.41Å; D23-K33 VanDerWaalsContact OD1-CE 3.27Å; D23-K33 WeakPolarHBondContact OD1-CE 3.46Å; D23-K33 WeakPolarHBondContact OD1-CG 3.49Å; D23-K33 IonicContact OD1-NZ 3.46Å; D23-K33 PolarHBondContact OD1-NZ 3.46Å; D23-K33 IonicContact OD2-NZ 3.09Å; D23-C97 PolarHBondContact N-O 2.89Å; D23-V98 HydrophobicContact CB-CG2 4.13Å; D23-V98 CarbonylContact O-C 3.55Å; D23-V98 VanDerWaalsContact O-CA 3.32Å; D23-V98 WeakPolarHBondContact O-CA 3.41Å; D23-L99 PolarHBondContact O-N 2.92Å
24F97.6Very high84.7Confident0 Ų066.2 Ų66.20%034%0.344CS..EExtended strand (participates in β ladder)trans-118.9123.8-179.7-55.3-89.1000111M22 F31 L32 F34 V36 I45 V49 F70 L99M22-F24 HydrophobicContact CB-CE1 4.46Å; M22-F24 HydrophobicContact CB-CE2 3.73Å; M22-F24 HydrophobicContact CB-CZ 3.67Å; M22-F24 WeakPolarHBondContact O-CE2 3.49Å; F24-F31 WeakPolarHBondContact O-CA 3.44Å; F24-L32 HydrophobicContact CB-CB 4.15Å; F24-L32 HydrophobicContact CD2-CB 4.37Å; F24-L32 PolarHBondContact N-O 3.12Å; F24-L32 PolarHBondContact O-N 3.43Å; F24-F34 AromaticContact CD2-CD1 3.88Å; F24-F34 HydrophobicContact CD2-CD1 3.88Å; F24-F34 AromaticContact CD2-CE1 3.38Å; F24-F34 HydrophobicContact CD2-CE1 3.38Å; F24-F34 HydrophobicContact CD2-CE2 4.46Å; F24-F34 AromaticContact CD2-CZ 3.72Å; F24-F34 HydrophobicContact CD2-CZ 3.72Å; F24-F34 HydrophobicContact CE1-CZ 4.39Å; F24-F34 AromaticContact CE2-CD1 3.77Å; F24-F34 HydrophobicContact CE2-CD1 3.77Å; F24-F34 AromaticContact CE2-CD2 4Å; F24-F34 HydrophobicContact CE2-CD2 4Å; F24-F34 AromaticContact CE2-CE1 3.33Å; F24-F34 HydrophobicContact CE2-CE1 3.33Å; F24-F34 AromaticContact CE2-CE2 3.58Å; F24-F34 HydrophobicContact CE2-CE2 3.58Å; F24-F34 HydrophobicContact CE2-CG 4.09Å; F24-F34 AromaticContact CE2-CZ 3.23Å; F24-F34 HydrophobicContact CE2-CZ 3.23Å; F24-F34 HydrophobicContact CG-CE1 4.26Å; F24-F34 HydrophobicContact CG-CZ 4.48Å; F24-F34 HydrophobicContact CZ-CE1 4.17Å; F24-F34 AromaticContact CZ-CE2 3.86Å; F24-F34 HydrophobicContact CZ-CE2 3.86Å; F24-F34 AromaticContact CZ-CZ 3.62Å; F24-F34 HydrophobicContact CZ-CZ 3.62Å; F24-V36 HydrophobicContact CZ-CG1 4.02Å; F24-I45 HydrophobicContact CE1-CG2 3.36Å; F24-I45 HydrophobicContact CZ-CG2 3.68Å; F24-V49 HydrophobicContact CB-CG2 4.28Å; F24-V49 HydrophobicContact CD1-CG2 3.33Å; F24-V49 HydrophobicContact CD2-CG2 4.19Å; F24-V49 HydrophobicContact CE1-CG2 3.56Å; F24-V49 HydrophobicContact CE2-CG2 4.39Å; F24-V49 HydrophobicContact CG-CG2 3.67Å; F24-V49 HydrophobicContact CZ-CG2 4.1Å; F24-F70 HydrophobicContact CD1-CE1 4.07Å; F24-F70 HydrophobicContact CD1-CZ 4.32Å; F24-L99 VanDerWaalsContact CA-O 3.29Å; F24-L99 WeakPolarHBondContact CA-O 3.5Å; F24-L99 HydrophobicContact CD1-CB 3.99Å; F24-L99 HydrophobicContact CE1-CB 4.23Å; F24-L99 HydrophobicContact CE1-CD1 4.03Å; F24-L99 HydrophobicContact CE1-CG 4.47Å
25L97.3Very high86.6Confident67 Ų6763.1 Ų63.135%0.35133%0.333SS..EExtended strand (participates in β ladder)trans-103111.1179.7-53.8178.5000109.6F31 V98 L99 R100 L101L25-F31 HydrophobicContact CD2-CD2 3.79Å; L25-F31 HydrophobicContact CD2-CE2 4.48Å; L25-V98 HydrophobicContact CD1-CG1 3.98Å; L25-V98 HydrophobicContact CG-CG1 4.19Å; L25-L99 PolarHBondContact N-O 3.2Å; L25-R100 HydrophobicContact CB-CB 4.09Å; L25-R100 HydrophobicContact CB-CG 4.02Å; L25-R100 HydrophobicContact CD1-CB 4.31Å; L25-L101 PolarHBondContact O-N 2.92Å
26L96.2Very high88.6Confident12 Ų1258.8 Ų58.86%0.06331%0.309CS..  trans-88151.6-179.4-54.6-171.2000111.4T28 G29 I30 L32 V49 A53 L62 L101L26-T28 PolarHBondContact O-N 3.5Å; L26-G29 PolarHBondContact O-N 3.25Å; L26-I30 HydrophobicContact CB-CB 4.29Å; L26-I30 WeakPolarHBondContact CB-O 3.5Å; L26-I30 HydrophobicContact CD1-CB 4.08Å; L26-I30 HydrophobicContact CD1-CG2 4Å; L26-I30 HydrophobicContact CG-CB 4.45Å; L26-I30 PolarHBondContact N-O 2.82Å; L26-L32 HydrophobicContact CD1-CD1 4Å; L26-L32 HydrophobicContact CD1-CG 4.22Å; L26-L32 HydrophobicContact CD2-CD1 4.48Å; L26-L32 HydrophobicContact CG-CD1 4.49Å; L26-V49 HydrophobicContact CD2-CG1 3.68Å; L26-A53 HydrophobicContact CD1-CB 3.79Å; L26-L62 HydrophobicContact CD1-CD1 4.12Å; L26-L101 HydrophobicContact CD2-CB 4.34Å; L26-L101 HydrophobicContact CD2-CD2 4.06Å
27P93.8Very high90.3Very high69 Ų6958.2 Ų58.245%0.44830%0.299SS..THydrogen-bonded Turntrans-65.7-18.4-179.527.3-36.2000113.3G29 L62 Y68P27-G29 PolarHBondContact O-N 3.03Å; P27-L62 HydrophobicContact CG-CD2 3.5Å; P27-Y68 HydrophobicContact CG-CD1 4.21Å; P27-Y68 HydrophobicContact CG-CE1 3.7Å
28T93.4Very high91.7Very high38 Ų3853 Ų5323%0.23327%0.269CS..THydrogen-bonded Turntrans-74.8-6.1172.852.80000113.4L26 I30 L58 L62L26-T28 PolarHBondContact O-N 3.5Å; T28-I30 VanDerWaalsContact C-N 3.34Å; T28-L58 HydrophobicContact CG2-CB 4.28Å; T28-L62 HydrophobicContact CG2-CD2 3.86Å; T28-L62 HydrophobicContact CG2-CG 4.06Å
29G92.2Very high92.6Very high70 Ų7048 Ų4872%0.72226%0.255SS*.SBendtrans88.3-2.8-173.600000114.2L26 P27L26-G29 PolarHBondContact O-N 3.25Å; P27-G29 PolarHBondContact O-N 3.03Å
30I95Very high93Very high31 Ų3143.3 Ų43.316%0.15923%0.234CC..  trans-72.4138.5176.3-63.3-65.9000110.7L26 T28 L32 E56 P57L26-I30 HydrophobicContact CB-CB 4.29Å; L26-I30 WeakPolarHBondContact CB-O 3.5Å; L26-I30 HydrophobicContact CD1-CB 4.08Å; L26-I30 HydrophobicContact CD1-CG2 4Å; L26-I30 HydrophobicContact CG-CB 4.45Å; L26-I30 PolarHBondContact N-O 2.82Å; T28-I30 VanDerWaalsContact C-N 3.34Å; I30-L32 HydrophobicContact CG2-CD2 4.18Å; I30-E56 HydrophobicContact CG2-CB 3.96Å; I30-E56 HydrophobicContact CG2-CG 3.98Å; I30-P57 HydrophobicContact CD1-CB 4.43Å; I30-P57 WeakPolarHBondContact CG1-O 2.73Å
31F95.9Very high93.2Very high106 Ų10644.2 Ų44.247%0.46524%0.24SC..EExtended strand (participates in β ladder)trans-107.7128175.9170-93.4000109.6D23 F24 L25 K33D23-F31 HydrophobicContact CB-CE2 3.69Å; D23-F31 HydrophobicContact CB-CZ 4.12Å; D23-F31 WeakPolarHBondContact OD1-CZ 3.44Å; F24-F31 WeakPolarHBondContact O-CA 3.44Å; L25-F31 HydrophobicContact CD2-CD2 3.79Å; L25-F31 HydrophobicContact CD2-CE2 4.48Å; F31-K33 HydrophobicContact CE1-CB 3.76Å; F31-K33 HydrophobicContact CZ-CB 3.91Å; F31-K33 HydrophobicContact CZ-CD 4.31Å
32L96.2Very high93.3Very high9 Ų937.6 Ų37.65%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-115.7147.8170.9-53.4173.7000110F24 L26 I30 F34 V49 N52 A53 E56F24-L32 HydrophobicContact CB-CB 4.15Å; F24-L32 HydrophobicContact CD2-CB 4.37Å; F24-L32 PolarHBondContact N-O 3.12Å; F24-L32 PolarHBondContact O-N 3.43Å; L26-L32 HydrophobicContact CD1-CD1 4Å; L26-L32 HydrophobicContact CD1-CG 4.22Å; L26-L32 HydrophobicContact CD2-CD1 4.48Å; L26-L32 HydrophobicContact CG-CD1 4.49Å; I30-L32 HydrophobicContact CG2-CD2 4.18Å; L32-F34 HydrophobicContact CB-CD1 4.26Å; L32-F34 HydrophobicContact CB-CE1 4.21Å; L32-F34 HydrophobicContact CD1-CE1 4.31Å; L32-V49 HydrophobicContact CD1-CG1 4.2Å; L32-N52 HydrophobicContact CD1-CB 4.18Å; L32-A53 HydrophobicContact CD1-CB 4.18Å; L32-E56 HydrophobicContact CD2-CG 3.52Å
33K96.1Very high93.4Very high119 Ų11943.8 Ų43.852%0.51724%0.238SC..EExtended strand (participates in β ladder)trans-139.4121.2172.1-176.8171.7-165.61350110.6Y21 M22 D23 F31Y21-K33 HydrophobicContact CD1-CG 4.26Å; M22-K33 WeakPolarHBondContact O-CA 3.5Å; D23-K33 WeakPolarHBondContact OD1-CD 3.41Å; D23-K33 VanDerWaalsContact OD1-CE 3.27Å; D23-K33 WeakPolarHBondContact OD1-CE 3.46Å; D23-K33 WeakPolarHBondContact OD1-CG 3.49Å; D23-K33 IonicContact OD1-NZ 3.46Å; D23-K33 PolarHBondContact OD1-NZ 3.46Å; D23-K33 IonicContact OD2-NZ 3.09Å; F31-K33 HydrophobicContact CE1-CB 3.76Å; F31-K33 HydrophobicContact CZ-CB 3.91Å; F31-K33 HydrophobicContact CZ-CD 4.31Å
34F95Very high93.3Very high21 Ų2145.1 Ų45.19%0.09225%0.245CC..EExtended strand (participates in β ladder)trans-156.1157.9178.257.8-95.3000111.9M22 F24 L32 V36 M48 V49 N52M22-F34 PolarHBondContact N-O 3.41Å; M22-F34 PolarHBondContact O-N 3.1Å; F24-F34 AromaticContact CD2-CD1 3.88Å; F24-F34 HydrophobicContact CD2-CD1 3.88Å; F24-F34 AromaticContact CD2-CE1 3.38Å; F24-F34 HydrophobicContact CD2-CE1 3.38Å; F24-F34 HydrophobicContact CD2-CE2 4.46Å; F24-F34 AromaticContact CD2-CZ 3.72Å; F24-F34 HydrophobicContact CD2-CZ 3.72Å; F24-F34 HydrophobicContact CE1-CZ 4.39Å; F24-F34 AromaticContact CE2-CD1 3.77Å; F24-F34 HydrophobicContact CE2-CD1 3.77Å; F24-F34 AromaticContact CE2-CD2 4Å; F24-F34 HydrophobicContact CE2-CD2 4Å; F24-F34 AromaticContact CE2-CE1 3.33Å; F24-F34 HydrophobicContact CE2-CE1 3.33Å; F24-F34 AromaticContact CE2-CE2 3.58Å; F24-F34 HydrophobicContact CE2-CE2 3.58Å; F24-F34 HydrophobicContact CE2-CG 4.09Å; F24-F34 AromaticContact CE2-CZ 3.23Å; F24-F34 HydrophobicContact CE2-CZ 3.23Å; F24-F34 HydrophobicContact CG-CE1 4.26Å; F24-F34 HydrophobicContact CG-CZ 4.48Å; F24-F34 HydrophobicContact CZ-CE1 4.17Å; F24-F34 AromaticContact CZ-CE2 3.86Å; F24-F34 HydrophobicContact CZ-CE2 3.86Å; F24-F34 AromaticContact CZ-CZ 3.62Å; F24-F34 HydrophobicContact CZ-CZ 3.62Å; L32-F34 HydrophobicContact CB-CD1 4.26Å; L32-F34 HydrophobicContact CB-CE1 4.21Å; L32-F34 HydrophobicContact CD1-CE1 4.31Å; F34-V36 HydrophobicContact CD2-CG1 3.96Å; F34-V36 HydrophobicContact CE2-CG1 3.68Å; F34-M48 HydrophobicContact CD2-CE 4.15Å; F34-M48 HydrophobicContact CE2-CB 3.83Å; F34-M48 HydrophobicContact CE2-CE 3.89Å; F34-M48 HydrophobicContact CZ-CB 4.02Å; F34-V49 HydrophobicContact CE1-CG2 4.11Å; F34-V49 HydrophobicContact CZ-CG2 3.69Å; F34-N52 HydrophobicContact CD1-CB 4.45Å; F34-N52 HydrophobicContact CE1-CB 4.21Å; F34-N52 WeakPolarHBondContact CE1-ND2 3.44Å
35P93.4Very high93.2Very high35 Ų3545.1 Ų45.123%0.22725%0.245CC..EExtended strand (participates in β ladder)trans-69.1141175.525.6-32.4000112.3E19 I20 Y21E19-P35 HydrophobicContact CB-CB 3.71Å; E19-P35 HydrophobicContact CG-CB 4.2Å; E19-P35 VanDerWaalsContact OE2-CB 3.31Å; E19-P35 WeakPolarHBondContact OE2-CB 3.31Å; I20-P35 CarbonylContact O-C 3.55Å; I20-P35 WeakPolarHBondContact O-CA 3.38Å; Y21-P35 HydrophobicContact CE1-CG 4.47Å; Y21-P35 HydrophobicContact CE2-CB 4.31Å
36V92.3Very high93.1Very high1 Ų142.3 Ų42.31%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-129151.4169.2-59.30000110.5E19 I20 M22 F24 F34 I45 M48E19-V36 CarbonylContact C-O 3.59Å; E19-V36 VanDerWaalsContact CA-O 3.31Å; E19-V36 WeakPolarHBondContact CA-O 3.41Å; I20-V36 PolarHBondContact N-O 2.85Å; I20-V36 PolarHBondContact O-N 3.37Å; M22-V36 HydrophobicContact CB-CG2 4.35Å; M22-V36 HydrophobicContact CG-CG2 3.63Å; M22-V36 HydrophobicContact SD-CG2 3.38Å; M22-V36 WeakPolarHBondContact SD-CG2 3.31Å; F24-V36 HydrophobicContact CZ-CG1 4.02Å; F34-V36 HydrophobicContact CD2-CG1 3.96Å; F34-V36 HydrophobicContact CE2-CG1 3.68Å; V36-I45 HydrophobicContact CB-CG1 4.48Å; V36-I45 HydrophobicContact CG1-CG1 4.32Å; V36-I45 HydrophobicContact CG2-CD1 4.41Å; V36-M48 HydrophobicContact CG1-CE 4.18Å; V36-M48 HydrophobicContact CG1-SD 4.47Å
37S89.4Confident93.1Very high29 Ų2948.2 Ų48.220%0.20326%0.255CS..EExtended strand (participates in β ladder)trans-72145171179.10000110.1N39 D40 I89S37-N39 PolarHBondContact O-N 3.36Å; S37-N39 PolarHBondContact OG-N 2.87Å; S37-D40 VanDerWaalsContact CB-OD2 3.31Å; S37-D40 WeakPolarHBondContact CB-OD2 3.31Å; S37-D40 PolarHBondContact N-OD2 2.92Å; S37-D40 WeakPolarHBondContact O-CB 3.4Å; S37-D40 PolarHBondContact O-N 2.96Å; S37-I89 WeakPolarHBondContact O-CG2 3.46Å
38R83.9Confident93.2Very high22 Ų2247.7 Ų47.78%0.08325%0.247CC..THydrogen-bonded Turntrans-61.8-28.1174.5-61.5176.4101.6-143.113.3111.8E11 W12 Q14 R18 I20 D40 I89 S90E11-R38 PolarHBondContact O-NH2 3.43Å; W12-R38 PolarHBondContact O-NH2 3.24Å; Q14-R38 PolarHBondContact O-NH1 2.92Å; Q14-R38 PolarHBondContact O-NH2 3.43Å; R18-R38 WeakPolarHBondContact O-CD 3.42Å; R18-R38 WeakPolarHBondContact O-CG 3.38Å; I20-R38 HydrophobicContact CD1-CG 3.47Å; I20-R38 VanDerWaalsContact CD1-CG 3.47Å; I20-R38 HydrophobicContact CG1-CG 3.52Å; R38-D40 VanDerWaalsContact C-N 3.35Å; R38-I89 WeakPolarHBondContact O-CG2 3.43Å; R38-S90 VanDerWaalsContact O-CB 3.24Å; R38-S90 WeakPolarHBondContact O-CB 3.35Å; R38-S90 PolarHBondContact O-N 3.13Å; R38-S90 VanDerWaalsContact O-N 3.11Å; R38-S90 PolarHBondContact O-OG 2.98Å
39N84.1Confident93.3Very high56 Ų5645.9 Ų45.930%0.29924%0.236SC..THydrogen-bonded Turntrans-85.4-6.6178.1-67.1-47.8000113D17 S37 T41 R88D17-N39 PolarHBondContact OD1-ND2 3.03Å; S37-N39 PolarHBondContact O-N 3.36Å; S37-N39 PolarHBondContact OG-N 2.87Å; N39-T41 PolarHBondContact O-N 3.23Å; N39-R88 PolarHBondContact OD1-NH1 3.09Å
40D90.4Very high93.5Very high35 Ų3544 Ų4419%0.18721%0.207CC..  trans-65.9133177.6-79.8-45.6000110.9S37 R38 I45 R88 I89S37-D40 VanDerWaalsContact CB-OD2 3.31Å; S37-D40 WeakPolarHBondContact CB-OD2 3.31Å; S37-D40 PolarHBondContact N-OD2 2.92Å; S37-D40 WeakPolarHBondContact O-CB 3.4Å; S37-D40 PolarHBondContact O-N 2.96Å; R38-D40 VanDerWaalsContact C-N 3.35Å; D40-I45 HydrophobicContact CB-CD1 4.11Å; D40-I45 HydrophobicContact CB-CG1 3.75Å; D40-R88 WeakPolarHBondContact O-CA 3.31Å; D40-I89 PolarHBondContact O-N 3.44Å
41T92.8Very high93.6Very high31 Ų3149.4 Ų49.419%0.1923%0.23CC..BIsolated β-bridgetrans-72151.2171.962.70000110.4N39 R43 N44 I45 S86 R87N39-T41 PolarHBondContact O-N 3.23Å; T41-R43 PolarHBondContact O-N 2.89Å; T41-R43 VanDerWaalsContact O-N 3.12Å; T41-N44 WeakPolarHBondContact O-CB 3.23Å; T41-N44 PolarHBondContact O-N 3.37Å; T41-N44 VanDerWaalsContact OG1-CG 3.28Å; T41-N44 PolarHBondContact OG1-N 2.86Å; T41-N44 PolarHBondContact OG1-ND2 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.45Å; T41-I45 PolarHBondContact O-N 3.27Å; T41-S86 WeakPolarHBondContact CG2-O 3.47Å; T41-R87 CarbonylContact C-O 3.52Å; T41-R87 VanDerWaalsContact CA-O 3.25Å; T41-R87 WeakPolarHBondContact CA-O 3.37Å
42I94.6Very high93.5Very high1 Ų146.9 Ų46.91%0.00522%0.221CC..Hα-helixtrans-53.4-35.6174.5-61.8-50000111.3I45 K46 F70 L82 E85 R87 I89 V92 L99I42-I45 HydrophobicContact CD1-CD1 4.34Å; I42-I45 PolarHBondContact O-N 3.04Å; I42-K46 WeakPolarHBondContact O-CB 3.19Å; I42-K46 PolarHBondContact O-N 3.2Å; I42-F70 HydrophobicContact CG2-CD2 3.69Å; I42-F70 HydrophobicContact CG2-CE2 4.44Å; I42-L82 HydrophobicContact CD1-CD1 3.84Å; I42-L82 HydrophobicContact CG1-CD1 4.14Å; I42-L82 HydrophobicContact CG2-CB 4.25Å; I42-L82 HydrophobicContact CG2-CD1 4.45Å; I42-E85 HydrophobicContact CB-CB 4.44Å; I42-E85 HydrophobicContact CG2-CB 4.38Å; I42-E85 HydrophobicContact CG2-CG 4.29Å; I42-E85 PolarHBondContact N-O 3.11Å; I42-R87 WeakPolarHBondContact CG1-O 3.2Å; I42-R87 PolarHBondContact N-O 2.79Å; I42-I89 HydrophobicContact CD1-CD1 3.74Å; I42-V92 HydrophobicContact CD1-CG2 4.11Å; I42-V92 HydrophobicContact CG1-CG2 4.19Å; I42-L99 HydrophobicContact CD1-CD1 4.45Å
43R94.4Very high93.4Very high129 Ų12946.5 Ų46.549%0.48722%0.219SC..Hα-helixtrans-61.3-45.2173.5-174.5179.1-66165.12.8112.6T41 K46 K47 E85T41-R43 PolarHBondContact O-N 2.89Å; T41-R43 VanDerWaalsContact O-N 3.12Å; R43-K46 WeakPolarHBondContact O-CB 3.36Å; R43-K46 PolarHBondContact O-N 3.03Å; R43-K47 WeakPolarHBondContact O-CG 3.38Å; R43-K47 PolarHBondContact O-N 3.42Å; R43-K47 VanDerWaalsContact O-N 3.12Å; R43-E85 HydrophobicContact CB-CB 3.96Å; R43-E85 WeakPolarHBondContact CB-O 3.38Å; R43-E85 PolarHBondContact N-O 2.88Å
44N94.6Very high93.3Very high67 Ų6743.9 Ų43.936%0.35822%0.216SC..Hα-helixtrans-67.3-43.6178.3-72.9-10.7000110.9T41 K46 K47 M48T41-N44 WeakPolarHBondContact O-CB 3.23Å; T41-N44 PolarHBondContact O-N 3.37Å; T41-N44 VanDerWaalsContact OG1-CG 3.28Å; T41-N44 PolarHBondContact OG1-N 2.86Å; T41-N44 PolarHBondContact OG1-ND2 3.27Å; N44-K46 VanDerWaalsContact C-N 3.27Å; N44-K46 PolarHBondContact O-N 2.99Å; N44-K47 WeakPolarHBondContact O-CB 3.37Å; N44-K47 PolarHBondContact O-N 2.9Å; N44-K47 VanDerWaalsContact O-N 3.1Å; N44-M48 WeakPolarHBondContact O-CG 3.21Å; N44-M48 PolarHBondContact O-N 2.97Å
45I96.1Very high93.3Very high0 Ų052.5 Ų52.50%025%0.248CC..Hα-helixtrans-57.9-42.4174.1-64.2174.1000110.3F24 V36 D40 T41 I42 K47 M48 V49 F70 I89 L99F24-I45 HydrophobicContact CE1-CG2 3.36Å; F24-I45 HydrophobicContact CZ-CG2 3.68Å; V36-I45 HydrophobicContact CB-CG1 4.48Å; V36-I45 HydrophobicContact CG1-CG1 4.32Å; V36-I45 HydrophobicContact CG2-CD1 4.41Å; D40-I45 HydrophobicContact CB-CD1 4.11Å; D40-I45 HydrophobicContact CB-CG1 3.75Å; T41-I45 WeakPolarHBondContact O-CG1 3.45Å; T41-I45 PolarHBondContact O-N 3.27Å; I42-I45 HydrophobicContact CD1-CD1 4.34Å; I42-I45 PolarHBondContact O-N 3.04Å; I45-K47 VanDerWaalsContact C-N 3.35Å; I45-K47 PolarHBondContact O-N 3.3Å; I45-M48 WeakPolarHBondContact O-CB 3.48Å; I45-M48 PolarHBondContact O-N 2.94Å; I45-M48 VanDerWaalsContact O-N 3.13Å; I45-V49 HydrophobicContact CG2-CG2 4.49Å; I45-V49 WeakPolarHBondContact O-CG2 3.48Å; I45-V49 PolarHBondContact O-N 3.17Å; I45-F70 HydrophobicContact CG2-CE2 4.3Å; I45-F70 HydrophobicContact CG2-CZ 4.43Å; I45-I89 HydrophobicContact CD1-CB 3.8Å; I45-I89 HydrophobicContact CD1-CD1 4.46Å; I45-I89 HydrophobicContact CD1-CG1 4.31Å; I45-I89 HydrophobicContact CD1-CG2 4.16Å; I45-L99 HydrophobicContact CG2-CD1 4.2Å
46K95.8Very high93.3Very high7 Ų754.7 Ų54.73%0.0326%0.255CS..Hα-helixtrans-58-45.7175.4-158.9173.870.9168.80111.5I42 R43 N44 M48 V49 W50 P65 D66 F70 E85I42-K46 WeakPolarHBondContact O-CB 3.19Å; I42-K46 PolarHBondContact O-N 3.2Å; R43-K46 WeakPolarHBondContact O-CB 3.36Å; R43-K46 PolarHBondContact O-N 3.03Å; N44-K46 VanDerWaalsContact C-N 3.27Å; N44-K46 PolarHBondContact O-N 2.99Å; K46-M48 VanDerWaalsContact C-N 3.34Å; K46-M48 PolarHBondContact O-N 3.49Å; K46-V49 PolarHBondContact O-N 3.07Å; K46-W50 HydrophobicContact CD-CZ3 4.14Å; K46-W50 HydrophobicContact CG-CE3 3.83Å; K46-W50 HydrophobicContact CG-CZ3 3.52Å; K46-W50 PolarHBondContact O-N 3.39Å; K46-P65 WeakPolarHBondContact CE-O 3.25Å; K46-P65 PolarHBondContact NZ-O 2.9Å; K46-D66 IonicContact NZ-OD1 3.54Å; K46-D66 PolarHBondContact NZ-OD1 3.23Å; K46-D66 VanDerWaalsContact NZ-OD1 3.09Å; K46-F70 HydrophobicContact CB-CE2 3.65Å; K46-F70 HydrophobicContact CB-CZ 4.32Å; K46-F70 HydrophobicContact CG-CE2 3.88Å; K46-F70 HydrophobicContact CG-CZ 4.31Å; K46-E85 WeakPolarHBondContact CE-OE1 3.33Å; K46-E85 WeakPolarHBondContact CE-OE2 3.42Å; K46-E85 IonicContact NZ-OE1 3.32Å; K46-E85 PolarHBondContact NZ-OE1 2.63Å; K46-E85 IonicContact NZ-OE2 3.98Å; K46-E85 PolarHBondContact NZ-OE2 3.21Å
47K95.8Very high93.2Very high136 Ų13658.7 Ų58.759%0.59128%0.281SS*.Hα-helixtrans-60.9-41.1175.3-68.2174.9179.4178.60112.3R43 N44 I45 W50 K51R43-K47 WeakPolarHBondContact O-CG 3.38Å; R43-K47 PolarHBondContact O-N 3.42Å; R43-K47 VanDerWaalsContact O-N 3.12Å; N44-K47 WeakPolarHBondContact O-CB 3.37Å; N44-K47 PolarHBondContact O-N 2.9Å; N44-K47 VanDerWaalsContact O-N 3.1Å; I45-K47 VanDerWaalsContact C-N 3.35Å; I45-K47 PolarHBondContact O-N 3.3Å; K47-W50 PolarHBondContact O-N 3.22Å; K47-K51 WeakPolarHBondContact O-CB 3.44Å; K47-K51 PolarHBondContact O-N 2.84Å
48M95.8Very high93.4Very high58 Ų5861.3 Ų61.329%0.28629%0.292SS..Hα-helixtrans-63.8-42.6176.1-65.1169.474.100111.5F34 V36 N44 I45 K46 W50 K51 N52F34-M48 HydrophobicContact CD2-CE 4.15Å; F34-M48 HydrophobicContact CE2-CB 3.83Å; F34-M48 HydrophobicContact CE2-CE 3.89Å; F34-M48 HydrophobicContact CZ-CB 4.02Å; V36-M48 HydrophobicContact CG1-CE 4.18Å; V36-M48 HydrophobicContact CG1-SD 4.47Å; N44-M48 WeakPolarHBondContact O-CG 3.21Å; N44-M48 PolarHBondContact O-N 2.97Å; I45-M48 WeakPolarHBondContact O-CB 3.48Å; I45-M48 PolarHBondContact O-N 2.94Å; I45-M48 VanDerWaalsContact O-N 3.13Å; K46-M48 VanDerWaalsContact C-N 3.34Å; K46-M48 PolarHBondContact O-N 3.49Å; M48-W50 PolarHBondContact O-N 3.37Å; M48-K51 PolarHBondContact O-N 3.36Å; M48-N52 PolarHBondContact O-N 2.77Å; M48-N52 PolarHBondContact O-ND2 3.09Å
49V96.2Very high93.8Very high1 Ų163.7 Ų63.71%0.00630%0.303CS..Hα-helixtrans-59.1-47.4175.7168.40000111.2F24 L26 L32 F34 I45 K46 K51 N52 A53 F70F24-V49 HydrophobicContact CB-CG2 4.28Å; F24-V49 HydrophobicContact CD1-CG2 3.33Å; F24-V49 HydrophobicContact CD2-CG2 4.19Å; F24-V49 HydrophobicContact CE1-CG2 3.56Å; F24-V49 HydrophobicContact CE2-CG2 4.39Å; F24-V49 HydrophobicContact CG-CG2 3.67Å; F24-V49 HydrophobicContact CZ-CG2 4.1Å; L26-V49 HydrophobicContact CD2-CG1 3.68Å; L32-V49 HydrophobicContact CD1-CG1 4.2Å; F34-V49 HydrophobicContact CE1-CG2 4.11Å; F34-V49 HydrophobicContact CZ-CG2 3.69Å; I45-V49 HydrophobicContact CG2-CG2 4.49Å; I45-V49 WeakPolarHBondContact O-CG2 3.48Å; I45-V49 PolarHBondContact O-N 3.17Å; K46-V49 PolarHBondContact O-N 3.07Å; V49-K51 VanDerWaalsContact C-N 3.34Å; V49-K51 PolarHBondContact O-N 2.93Å; V49-N52 PolarHBondContact O-N 2.83Å; V49-A53 WeakPolarHBondContact O-CB 3.39Å; V49-A53 PolarHBondContact O-N 3.22Å; V49-F70 HydrophobicContact CB-CZ 4.17Å; V49-F70 HydrophobicContact CG1-CZ 4.47Å; V49-F70 HydrophobicContact CG2-CE1 4.29Å; V49-F70 HydrophobicContact CG2-CZ 3.75Å
50W96.4Very high94Very high29 Ų2969.5 Ų69.511%0.1133%0.326CS..Hα-helixtrans-63.2-40.4177.7-104.1-100.5000112.7K46 K47 M48 S54 G63 P65 Y68 L101K46-W50 HydrophobicContact CD-CZ3 4.14Å; K46-W50 HydrophobicContact CG-CE3 3.83Å; K46-W50 HydrophobicContact CG-CZ3 3.52Å; K46-W50 PolarHBondContact O-N 3.39Å; K47-W50 PolarHBondContact O-N 3.22Å; M48-W50 PolarHBondContact O-N 3.37Å; W50-S54 PolarHBondContact O-N 3.37Å; W50-S54 VanDerWaalsContact O-N 3.11Å; W50-G63 PolarHBondContact NE1-O 2.89Å; W50-P65 HydrophobicContact CD2-CB 3.83Å; W50-P65 HydrophobicContact CD2-CG 3.74Å; W50-P65 HydrophobicContact CE3-CB 4.07Å; W50-P65 HydrophobicContact CE3-CG 4.45Å; W50-P65 HydrophobicContact CG-CB 4.41Å; W50-P65 HydrophobicContact CG-CG 3.83Å; W50-P65 HydrophobicContact CH2-CB 4.09Å; W50-P65 HydrophobicContact CZ2-CB 3.92Å; W50-P65 HydrophobicContact CZ2-CG 4.21Å; W50-P65 HydrophobicContact CZ3-CB 4.18Å; W50-Y68 AromaticContact CH2-CD2 3.54Å; W50-Y68 HydrophobicContact CH2-CD2 3.54Å; W50-Y68 HydrophobicContact CH2-CE2 4.33Å; W50-Y68 AromaticContact CH2-CG 3.9Å; W50-Y68 HydrophobicContact CH2-CG 3.9Å; W50-Y68 AromaticContact CZ2-CD2 3.48Å; W50-Y68 HydrophobicContact CZ2-CD2 3.48Å; W50-Y68 VanDerWaalsContact CZ2-CD2 3.48Å; W50-Y68 AromaticContact CZ2-CE2 3.87Å; W50-Y68 HydrophobicContact CZ2-CE2 3.87Å; W50-Y68 HydrophobicContact CZ2-CG 4.28Å; W50-L101 HydrophobicContact CH2-CD1 3.9Å; W50-L101 HydrophobicContact CH2-CD2 3.34Å; W50-L101 HydrophobicContact CH2-CG 4.16Å; W50-L101 HydrophobicContact CZ2-CD2 4.17Å; W50-L101 HydrophobicContact CZ3-CD1 3.82Å; W50-L101 HydrophobicContact CZ3-CD2 3.64Å; W50-L101 HydrophobicContact CZ3-CG 4.38Å
51K95.6Very high94Very high146 Ų14670.1 Ų70.164%0.63534%0.341SS*.Hα-helixtrans-61.3-45.5176.4-176.8-179175.8-176.30111.5K47 M48 V49 S54K47-K51 WeakPolarHBondContact O-CB 3.44Å; K47-K51 PolarHBondContact O-N 2.84Å; M48-K51 PolarHBondContact O-N 3.36Å; V49-K51 VanDerWaalsContact C-N 3.34Å; V49-K51 PolarHBondContact O-N 2.93Å; K51-S54 PolarHBondContact O-OG 3.24Å
52N94.4Very high93.9Very high52 Ų5269.5 Ų69.528%0.27834%0.337SS..Hα-helixtrans-71.8-41.9179.4-72.9-51.2000111.9L32 F34 M48 V49 S54 R55L32-N52 HydrophobicContact CD1-CB 4.18Å; F34-N52 HydrophobicContact CD1-CB 4.45Å; F34-N52 HydrophobicContact CE1-CB 4.21Å; F34-N52 WeakPolarHBondContact CE1-ND2 3.44Å; M48-N52 PolarHBondContact O-N 2.77Å; M48-N52 PolarHBondContact O-ND2 3.09Å; V49-N52 PolarHBondContact O-N 2.83Å; N52-S54 PolarHBondContact O-N 3.45Å; N52-R55 PolarHBondContact O-N 3.09Å; N52-R55 VanDerWaalsContact O-N 3.17Å
53A94.6Very high93.6Very high1 Ų171 Ų711%0.00835%0.351CS..Hα-helixtrans-60.3-28.3177.600000113.1L26 L32 V49 R55 E56 F59 L62L26-A53 HydrophobicContact CD1-CB 3.79Å; L32-A53 HydrophobicContact CD1-CB 4.18Å; V49-A53 WeakPolarHBondContact O-CB 3.39Å; V49-A53 PolarHBondContact O-N 3.22Å; A53-R55 PolarHBondContact O-N 3.24Å; A53-E56 PolarHBondContact O-N 2.98Å; A53-F59 HydrophobicContact CB-CD2 3.85Å; A53-F59 HydrophobicContact CB-CE2 4.1Å; A53-F59 WeakPolarHBondContact O-CB 2.91Å; A53-F59 VanDerWaalsContact O-CD2 3.27Å; A53-F59 WeakPolarHBondContact O-CD2 3.39Å; A53-L62 HydrophobicContact CB-CD1 4.05Å
54S94.3Very high93.5Very high65 Ų6569.2 Ų69.246%0.45535%0.352SS..THydrogen-bonded Turntrans-59.3-17177.673.90000114.6W50 K51 N52W50-S54 PolarHBondContact O-N 3.37Å; W50-S54 VanDerWaalsContact O-N 3.11Å; K51-S54 PolarHBondContact O-OG 3.24Å; N52-S54 PolarHBondContact O-N 3.45Å
55R93.8Very high93.3Very high201 Ų20168 Ų6876%0.75835%0.347SS*.THydrogen-bonded Turntrans-98.8-3.8178.5-60179179.1-176.2-3.3113.3N52 A53N52-R55 PolarHBondContact O-N 3.09Å; N52-R55 VanDerWaalsContact O-N 3.17Å; A53-R55 PolarHBondContact O-N 3.24Å
56E94.1Very high92.9Very high82 Ų8273.3 Ų73.338%0.38338%0.376SS..SBendtrans-99.6156.4-176.7-65.1-56.4154.100112.7I30 L32 A53I30-E56 HydrophobicContact CG2-CB 3.96Å; I30-E56 HydrophobicContact CG2-CG 3.98Å; L32-E56 HydrophobicContact CD2-CG 3.52Å; A53-E56 PolarHBondContact O-N 2.98Å
57P90.9Very high92.6Very high84 Ų8478 Ų7855%0.54540%0.401SS..THydrogen-bonded Turntrans-55.9151.7170.5-22.533.5000112.1I30 F59I30-P57 HydrophobicContact CD1-CB 4.43Å; I30-P57 WeakPolarHBondContact CG1-O 2.73Å; P57-F59 PolarHBondContact O-N 2.94Å
58L92.1Very high92.4Very high84 Ų8472.8 Ų72.844%0.4438%0.378SS..THydrogen-bonded Turntrans64.513.2176.9-49.5172.9000115.1T28 F60 G61T28-L58 HydrophobicContact CG2-CB 4.28Å; L58-F60 HydrophobicContact CD2-CE2 4.45Å; L58-F60 HydrophobicContact CD2-CZ 3.91Å; L58-F60 PolarHBondContact O-N 3.12Å; L58-G61 WeakPolarHBondContact O-CA 3.38Å; L58-G61 PolarHBondContact O-N 2.82Å
59F92.4Very high92.3Very high72 Ų7270 Ų7032%0.31636%0.364SS..G310 helixtrans-54.4-36.8175.1178.3-108.5000113.1A53 P57 G61 L62A53-F59 HydrophobicContact CB-CD2 3.85Å; A53-F59 HydrophobicContact CB-CE2 4.1Å; A53-F59 WeakPolarHBondContact O-CB 2.91Å; A53-F59 VanDerWaalsContact O-CD2 3.27Å; A53-F59 WeakPolarHBondContact O-CD2 3.39Å; P57-F59 PolarHBondContact O-N 2.94Å; F59-G61 PolarHBondContact O-N 3.45Å; F59-G61 VanDerWaalsContact O-N 3.11Å; F59-L62 HydrophobicContact CD2-CD1 3.94Å; F59-L62 HydrophobicContact CE2-CD1 4.32Å; F59-L62 WeakPolarHBondContact O-CB 3.38Å; F59-L62 PolarHBondContact O-N 2.84Å
60F89.3Confident92.3Very high178 Ų17870 Ų7078%0.78136%0.364SS*.G310 helixtrans-61.8-16175.755.1-97.7000113.9L58 L62L58-F60 HydrophobicContact CD2-CE2 4.45Å; L58-F60 HydrophobicContact CD2-CZ 3.91Å; L58-F60 PolarHBondContact O-N 3.12Å; F60-L62 VanDerWaalsContact C-N 3.31Å
61G89.1Confident92.2Very high48 Ų4868.9 Ų68.950%0.49536%0.36SS..G310 helixtrans-81.4-7.4171.700000114L58 F59L58-G61 WeakPolarHBondContact O-CA 3.38Å; L58-G61 PolarHBondContact O-N 2.82Å; F59-G61 PolarHBondContact O-N 3.45Å; F59-G61 VanDerWaalsContact O-N 3.11Å
62L91Very high92.1Very high19 Ų1962.2 Ų62.210%0.09933%0.332CS..  trans-90129.5171.9-61.1173.5000109.8L26 P27 T28 A53 F59 F60L26-L62 HydrophobicContact CD1-CD1 4.12Å; P27-L62 HydrophobicContact CG-CD2 3.5Å; T28-L62 HydrophobicContact CG2-CD2 3.86Å; T28-L62 HydrophobicContact CG2-CG 4.06Å; A53-L62 HydrophobicContact CB-CD1 4.05Å; F59-L62 HydrophobicContact CD2-CD1 3.94Å; F59-L62 HydrophobicContact CE2-CD1 4.32Å; F59-L62 WeakPolarHBondContact O-CB 3.38Å; F59-L62 PolarHBondContact O-N 2.84Å; F60-L62 VanDerWaalsContact C-N 3.31Å
63G89.9Confident91.8Very high31 Ų3163.4 Ų63.432%0.3234%0.338SS..  trans-80.2-162.5171.200000113W50 Y68W50-G63 PolarHBondContact NE1-O 2.89Å; G63-Y68 PolarHBondContact N-OH 3.36Å
64D90.4Very high91.2Very high92 Ų9264.5 Ų64.549%0.49234%0.343SS..  trans-59136.7176.1-171.2-68000111.7D66 L67 Y68D64-D66 PolarHBondContact O-N 3.4Å; D64-D66 WeakPolarHBondContact OD1-CB 3.35Å; D64-D66 PolarHBondContact OD1-N 2.96Å; D64-L67 HydrophobicContact CB-CD1 4.16Å; D64-L67 HydrophobicContact CB-CG 4.17Å; D64-L67 WeakPolarHBondContact O-CB 3.34Å; D64-L67 PolarHBondContact O-N 3.01Å; D64-Y68 VanDerWaalsContact O-CD2 3.23Å; D64-Y68 WeakPolarHBondContact O-CD2 3.29Å; D64-Y68 WeakPolarHBondContact O-CE2 3.43Å
65P90.6Very high90.3Very high41 Ų4165.3 Ų65.327%0.26634%0.34SS..G310 helixtrans-50-29.6176.6-18.922.1000116.3K46 W50 L67 Y68K46-P65 WeakPolarHBondContact CE-O 3.25Å; K46-P65 PolarHBondContact NZ-O 2.9Å; W50-P65 HydrophobicContact CD2-CB 3.83Å; W50-P65 HydrophobicContact CD2-CG 3.74Å; W50-P65 HydrophobicContact CE3-CB 4.07Å; W50-P65 HydrophobicContact CE3-CG 4.45Å; W50-P65 HydrophobicContact CG-CB 4.41Å; W50-P65 HydrophobicContact CG-CG 3.83Å; W50-P65 HydrophobicContact CH2-CB 4.09Å; W50-P65 HydrophobicContact CZ2-CB 3.92Å; W50-P65 HydrophobicContact CZ2-CG 4.21Å; W50-P65 HydrophobicContact CZ3-CB 4.18Å; P65-L67 VanDerWaalsContact C-N 3.28Å; P65-L67 PolarHBondContact O-N 3.01Å; P65-Y68 PolarHBondContact O-N 3.11Å
66D88.1Confident89.1Confident112 Ų11260 Ų6060%0.59933%0.329SS*.G310 helixtrans-78.6-13-178.4-70.8-18.9000113.2K46 D64 Y68 R104K46-D66 IonicContact NZ-OD1 3.54Å; K46-D66 PolarHBondContact NZ-OD1 3.23Å; K46-D66 VanDerWaalsContact NZ-OD1 3.09Å; D64-D66 PolarHBondContact O-N 3.4Å; D64-D66 WeakPolarHBondContact OD1-CB 3.35Å; D64-D66 PolarHBondContact OD1-N 2.96Å; D66-Y68 PolarHBondContact O-N 2.86Å; D66-R104 WeakPolarHBondContact O-CD 3.47Å; D66-R104 PolarHBondContact O-NE 3Å
67L89.6Confident88.3Confident107 Ų10759.8 Ų59.856%0.5634%0.342SS*.G310 helixtrans-77.1-8171.3-61.2175.4000113.1D64 P65 R104D64-L67 HydrophobicContact CB-CD1 4.16Å; D64-L67 HydrophobicContact CB-CG 4.17Å; D64-L67 WeakPolarHBondContact O-CB 3.34Å; D64-L67 PolarHBondContact O-N 3.01Å; P65-L67 VanDerWaalsContact C-N 3.28Å; P65-L67 PolarHBondContact O-N 3.01Å; L67-R104 PolarHBondContact O-N 2.82Å
68Y92.6Very high87.6Confident26 Ų2657.7 Ų57.710%0.10233%0.325CS..EExtended strand (participates in β ladder)trans-120.7153.2-175.4-57.3-88.2000112.6P27 W50 G63 D64 P65 D66 L101 V102 R104P27-Y68 HydrophobicContact CG-CD1 4.21Å; P27-Y68 HydrophobicContact CG-CE1 3.7Å; W50-Y68 AromaticContact CH2-CD2 3.54Å; W50-Y68 HydrophobicContact CH2-CD2 3.54Å; W50-Y68 HydrophobicContact CH2-CE2 4.33Å; W50-Y68 AromaticContact CH2-CG 3.9Å; W50-Y68 HydrophobicContact CH2-CG 3.9Å; W50-Y68 AromaticContact CZ2-CD2 3.48Å; W50-Y68 HydrophobicContact CZ2-CD2 3.48Å; W50-Y68 VanDerWaalsContact CZ2-CD2 3.48Å; W50-Y68 AromaticContact CZ2-CE2 3.87Å; W50-Y68 HydrophobicContact CZ2-CE2 3.87Å; W50-Y68 HydrophobicContact CZ2-CG 4.28Å; G63-Y68 PolarHBondContact N-OH 3.36Å; D64-Y68 VanDerWaalsContact O-CD2 3.23Å; D64-Y68 WeakPolarHBondContact O-CD2 3.29Å; D64-Y68 WeakPolarHBondContact O-CE2 3.43Å; P65-Y68 PolarHBondContact O-N 3.11Å; D66-Y68 PolarHBondContact O-N 2.86Å; Y68-L101 HydrophobicContact CD1-CD2 4.22Å; Y68-L101 HydrophobicContact CD1-CG 4.12Å; Y68-L101 HydrophobicContact CG-CD1 4.39Å; Y68-L101 HydrophobicContact CG-CD2 4.1Å; Y68-L101 HydrophobicContact CG-CG 4.08Å; Y68-V102 CarbonylContact C-O 3.53Å; Y68-V102 WeakPolarHBondContact CA-O 3.27Å; Y68-V102 WeakPolarHBondContact CB-O 3.38Å; Y68-R104 PolarHBondContact O-NE 3.15Å; Y68-R104 PolarHBondContact O-NH2 2.68Å
69V93.7Very high87.2Confident0 Ų060.2 Ų60.20%033%0.329CS..EExtended strand (participates in β ladder)trans-128.7146173.866.50000109.1L82 V102 R104V69-L82 WeakPolarHBondContact CG2-O 3.21Å; V69-V102 HydrophobicContact CG1-CG2 3.67Å; V69-V102 PolarHBondContact N-O 2.72Å; V69-V102 PolarHBondContact O-N 3Å; V69-R104 HydrophobicContact CB-CG 3.88Å; V69-R104 HydrophobicContact CG1-CG 4.06Å
70F96.1Very high86.9Confident1 Ų158.3 Ų58.30%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-78.1144.5169.3-75.5-61.4000110.6F24 I42 I45 K46 V49 L82 L99 R100 L101F24-F70 HydrophobicContact CD1-CE1 4.07Å; F24-F70 HydrophobicContact CD1-CZ 4.32Å; I42-F70 HydrophobicContact CG2-CD2 3.69Å; I42-F70 HydrophobicContact CG2-CE2 4.44Å; I45-F70 HydrophobicContact CG2-CE2 4.3Å; I45-F70 HydrophobicContact CG2-CZ 4.43Å; K46-F70 HydrophobicContact CB-CE2 3.65Å; K46-F70 HydrophobicContact CB-CZ 4.32Å; K46-F70 HydrophobicContact CG-CE2 3.88Å; K46-F70 HydrophobicContact CG-CZ 4.31Å; V49-F70 HydrophobicContact CB-CZ 4.17Å; V49-F70 HydrophobicContact CG1-CZ 4.47Å; V49-F70 HydrophobicContact CG2-CE1 4.29Å; V49-F70 HydrophobicContact CG2-CZ 3.75Å; F70-L82 HydrophobicContact CB-CB 4.29Å; F70-L82 HydrophobicContact CB-CD1 4.01Å; F70-L82 HydrophobicContact CB-CG 4.46Å; F70-L82 WeakPolarHBondContact O-CB 3.32Å; F70-L82 PolarHBondContact O-N 3.23Å; F70-L99 HydrophobicContact CB-CB 4.48Å; F70-L99 HydrophobicContact CD1-CB 3.69Å; F70-L99 HydrophobicContact CD1-CD1 4.32Å; F70-L99 HydrophobicContact CD2-CD1 4.31Å; F70-L99 HydrophobicContact CE1-CB 4.14Å; F70-L99 HydrophobicContact CG-CB 4.2Å; F70-L99 HydrophobicContact CG-CD1 4.15Å; F70-R100 CarbonylContact C-O 3.55Å; F70-L101 HydrophobicContact CD1-CB 4.29Å; F70-L101 HydrophobicContact CD1-CD1 3.88Å; F70-L101 HydrophobicContact CE1-CB 4.21Å; F70-L101 HydrophobicContact CE1-CD1 3.77Å; F70-L101 HydrophobicContact CG-CD1 4.41Å; F70-L101 HydrophobicContact CZ-CD1 4.23Å
71T93.9Very high86.9Confident4 Ų452.7 Ų52.73%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-124.6142.5170.159.30000109.8E80 E81 R100 V102T71-E80 CarbonylContact C-O 3.3Å; T71-E80 WeakPolarHBondContact CA-O 3.49Å; T71-E81 HydrophobicContact CG2-CB 4.33Å; T71-E81 HydrophobicContact CG2-CG 3.82Å; T71-R100 PolarHBondContact N-O 2.79Å; T71-R100 PolarHBondContact O-N 3.1Å; T71-R100 PolarHBondContact OG1-O 2.95Å; T71-V102 HydrophobicContact CG2-CG1 4.44Å; T71-V102 HydrophobicContact CG2-CG2 3.56Å
72C92.9Very high86.9Confident6 Ų650.5 Ų50.54%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-137167.6174.663.60000110.5R79 E80 P94 L99C72-R79 CarbonylContact O-C 3.58Å; C72-R79 WeakPolarHBondContact O-CA 3.35Å; C72-E80 PolarHBondContact N-O 3.3Å; C72-E80 PolarHBondContact O-N 3.24Å; C72-P94 HydrophobicContact CB-CB 3.71Å; C72-L99 HydrophobicContact CB-CD2 3.73Å
73I88.6Confident86.7Confident78 Ų7850 Ų5040%0.427%0.271SS..EExtended strand (participates in β ladder)trans-90123.4161.4-55.6-54.4000106.6E78 R79 P94 F95I73-E78 CarbonylContact C-O 3.6Å; I73-E78 VanDerWaalsContact CA-O 3.28Å; I73-E78 WeakPolarHBondContact CA-O 3.32Å; I73-R79 HydrophobicContact CD1-CB 4.09Å; I73-P94 CarbonylContact O-C 3.44Å; I73-P94 WeakPolarHBondContact O-CA 3.48Å; I73-F95 HydrophobicContact CB-CB 4.36Å; I73-F95 HydrophobicContact CG2-CB 4.09Å; I73-F95 WeakPolarHBondContact O-CB 3.3Å; I73-F95 PolarHBondContact O-N 3.44Å
74N81.9Confident86.4Confident23 Ų2351.8 Ų51.812%0.12327%0.271CS..  trans-85.9178.6179.168.89.2000111.2T76 A77 E78 E80 F95N74-T76 VanDerWaalsContact CG-OG1 3.23Å; N74-T76 PolarHBondContact ND2-OG1 3.28Å; N74-T76 VanDerWaalsContact ND2-OG1 3.1Å; N74-T76 PolarHBondContact O-N 2.98Å; N74-T76 VanDerWaalsContact O-N 3.12Å; N74-T76 WeakPolarHBondContact OD1-CA 3.24Å; N74-T76 PolarHBondContact OD1-N 2.84Å; N74-T76 PolarHBondContact OD1-OG1 3.25Å; N74-A77 PolarHBondContact O-N 2.75Å; N74-A77 PolarHBondContact OD1-N 2.64Å; N74-E78 PolarHBondContact N-O 3.16Å; N74-E78 PolarHBondContact OD1-N 2.93Å; N74-E78 PolarHBondContact OD1-O 3.47Å; N74-E80 HydrophobicContact CB-CB 4.35Å; N74-E80 WeakPolarHBondContact CB-OE2 3.34Å; N74-F95 WeakPolarHBondContact O-CB 3.4Å
75Q74.7Confident86.3Confident83 Ų8348 Ų4839%0.38825%0.25SS..THydrogen-bonded Turntrans-64.9-13-179.9-62-62.9-37.400114.3A77 R93 P94Q75-A77 VanDerWaalsContact C-N 3.27Å; Q75-R93 HydrophobicContact CG-CB 4.37Å; Q75-R93 WeakPolarHBondContact CG-O 3.36Å; Q75-R93 PolarHBondContact NE2-O 2.97Å; Q75-P94 PolarHBondContact NE2-O 3.2Å
76T69.1Low86.1Confident88 Ų8849.3 Ų49.354%0.5426%0.261SS..THydrogen-bonded Turntrans-89.49.5172.955.90000112.6N74 E78N74-T76 VanDerWaalsContact CG-OG1 3.23Å; N74-T76 PolarHBondContact ND2-OG1 3.28Å; N74-T76 VanDerWaalsContact ND2-OG1 3.1Å; N74-T76 PolarHBondContact O-N 2.98Å; N74-T76 VanDerWaalsContact O-N 3.12Å; N74-T76 WeakPolarHBondContact OD1-CA 3.24Å; N74-T76 PolarHBondContact OD1-N 2.84Å; N74-T76 PolarHBondContact OD1-OG1 3.25Å; T76-E78 PolarHBondContact O-N 3.1Å; T76-E78 PolarHBondContact OG1-OE2 3.39Å
77A76.9Confident86Confident79 Ų7945.8 Ų45.865%0.65324%0.239SC*.SBendtrans62.827.1-176.400000113.6N74 Q75N74-A77 PolarHBondContact O-N 2.75Å; N74-A77 PolarHBondContact OD1-N 2.64Å; Q75-A77 VanDerWaalsContact C-N 3.27Å
78E76.4Confident85.9Confident39 Ų3942 Ų4218%0.18222%0.217CC..  trans-110.5149.6-178.4-65.3168.716400111I73 N74 T76 E80 H126I73-E78 CarbonylContact C-O 3.6Å; I73-E78 VanDerWaalsContact CA-O 3.28Å; I73-E78 WeakPolarHBondContact CA-O 3.32Å; N74-E78 PolarHBondContact N-O 3.16Å; N74-E78 PolarHBondContact OD1-N 2.93Å; N74-E78 PolarHBondContact OD1-O 3.47Å; T76-E78 PolarHBondContact O-N 3.1Å; T76-E78 PolarHBondContact OG1-OE2 3.39Å; E78-E80 PolarHBondContact O-N 3.13Å; E78-H126 IonicContact OE1-CE1 3.62Å; E78-H126 PolarHBondContact OE1-CE1 2.91Å; E78-H126 IonicContact OE1-NE2 2.75Å; E78-H126 PolarHBondContact OE1-NE2 3.16Å; E78-H126 IonicContact OE2-CE1 3.14Å; E78-H126 PolarHBondContact OE2-CE1 3.3Å
79R84.6Confident85.8Confident138 Ų13840.7 Ų40.752%0.52121%0.212SC..EExtended strand (participates in β ladder)trans-76.2117172.7-173.2178.6-179.1-165.2-6.6109.6C72 I73C72-R79 CarbonylContact O-C 3.58Å; C72-R79 WeakPolarHBondContact O-CA 3.35Å; I73-R79 HydrophobicContact CD1-CB 4.09Å
80E85.4Confident85.3Confident32 Ų3241.5 Ų41.515%0.1522%0.218CC..EExtended strand (participates in β ladder)trans-106.4130.4177.7-173.2178.8172.100110.1T71 C72 N74 E78 L82 R87T71-E80 CarbonylContact C-O 3.3Å; T71-E80 WeakPolarHBondContact CA-O 3.49Å; C72-E80 PolarHBondContact N-O 3.3Å; C72-E80 PolarHBondContact O-N 3.24Å; N74-E80 HydrophobicContact CB-CB 4.35Å; N74-E80 WeakPolarHBondContact CB-OE2 3.34Å; E78-E80 PolarHBondContact O-N 3.13Å; E80-L82 HydrophobicContact CG-CD2 3.99Å; E80-R87 IonicContact OE1-CZ 2.65Å; E80-R87 IonicContact OE1-NH1 2.73Å; E80-R87 PolarHBondContact OE1-NH1 3.2Å; E80-R87 IonicContact OE1-NH2 3.25Å
81E89.3Confident84.5Confident59 Ų5943.8 Ų43.828%0.27623%0.23SC..EExtended strand (participates in β ladder)trans-89.4118.3166.7-59-172.1174.300109.3T71 E83 K111T71-E81 HydrophobicContact CG2-CB 4.33Å; T71-E81 HydrophobicContact CG2-CG 3.82Å; E81-E83 PolarHBondContact O-N 2.98Å; E81-K111 VanDerWaalsContact CD-NZ 3.35Å; E81-K111 IonicContact OE1-NZ 3.92Å; E81-K111 PolarHBondContact OE1-NZ 2.96Å; E81-K111 VanDerWaalsContact OE1-NZ 3.14Å; E81-K111 WeakPolarHBondContact OE2-CD 3.48Å; E81-K111 WeakPolarHBondContact OE2-CE 3.33Å; E81-K111 IonicContact OE2-NZ 3.86Å; E81-K111 PolarHBondContact OE2-NZ 2.89Å
82L90.1Very high84Confident3 Ų344 Ų442%0.01623%0.231CC..  trans-81.865.8-176-56.9-179.4000110.9I42 V69 F70 E80 E84 V92 L99I42-L82 HydrophobicContact CD1-CD1 3.84Å; I42-L82 HydrophobicContact CG1-CD1 4.14Å; I42-L82 HydrophobicContact CG2-CB 4.25Å; I42-L82 HydrophobicContact CG2-CD1 4.45Å; V69-L82 WeakPolarHBondContact CG2-O 3.21Å; F70-L82 HydrophobicContact CB-CB 4.29Å; F70-L82 HydrophobicContact CB-CD1 4.01Å; F70-L82 HydrophobicContact CB-CG 4.46Å; F70-L82 WeakPolarHBondContact O-CB 3.32Å; F70-L82 PolarHBondContact O-N 3.23Å; E80-L82 HydrophobicContact CG-CD2 3.99Å; L82-E84 VanDerWaalsContact C-N 3.3Å; L82-E84 PolarHBondContact O-N 3.33Å; L82-V92 HydrophobicContact CD1-CG1 4.08Å; L82-V92 HydrophobicContact CD2-CG1 3.61Å; L82-V92 HydrophobicContact CD2-CG2 4.11Å; L82-L99 HydrophobicContact CD1-CD2 3.81Å
83E86.5Confident83.6Confident7 Ų749.2 Ų49.23%0.03325%0.25CS..  trans-63.6-34.5179.5-80-65.3163.400113E81 E85 R104 R108 K111 L112E81-E83 PolarHBondContact O-N 2.98Å; E83-E85 PolarHBondContact O-N 2.96Å; E83-R104 IonicContact OE1-NH1 2.68Å; E83-R104 PolarHBondContact OE1-NH1 3.46Å; E83-R104 IonicContact OE2-CZ 3Å; E83-R104 IonicContact OE2-NH1 3.58Å; E83-R104 PolarHBondContact OE2-NH1 3.06Å; E83-R108 VanDerWaalsContact OE2-CG 3.32Å; E83-R108 WeakPolarHBondContact OE2-CG 3.23Å; E83-R108 IonicContact OE2-NE 2.89Å; E83-R108 PolarHBondContact OE2-NE 2.77Å; E83-K111 HydrophobicContact CG-CB 4.29Å; E83-L112 HydrophobicContact CB-CB 4.28Å; E83-L112 HydrophobicContact CB-CD1 3.88Å
84E83.4Confident83.6Confident69 Ų6945.5 Ų45.532%0.32223%0.231SC..  trans-86.981.9178-167.8167.3-16300111.2L82 S86 R87 L112L82-E84 VanDerWaalsContact C-N 3.3Å; L82-E84 PolarHBondContact O-N 3.33Å; E84-S86 WeakPolarHBondContact CG-OG 3.36Å; E84-S86 PolarHBondContact O-N 2.82Å; E84-R87 HydrophobicContact CB-CG 4.29Å; E84-R87 HydrophobicContact CG-CG 4.08Å; E84-R87 PolarHBondContact O-N 3.48Å; E84-L112 HydrophobicContact CB-CD1 3.9Å
85E88.6Confident83.7Confident13 Ų1347.3 Ų47.36%0.06124%0.238CC..THydrogen-bonded Turntrans-68.1-6.5-174.2-61.6-174179.300114.7I42 R43 K46 E83 R87 R104I42-E85 HydrophobicContact CB-CB 4.44Å; I42-E85 HydrophobicContact CG2-CB 4.38Å; I42-E85 HydrophobicContact CG2-CG 4.29Å; I42-E85 PolarHBondContact N-O 3.11Å; R43-E85 HydrophobicContact CB-CB 3.96Å; R43-E85 WeakPolarHBondContact CB-O 3.38Å; R43-E85 PolarHBondContact N-O 2.88Å; K46-E85 WeakPolarHBondContact CE-OE1 3.33Å; K46-E85 WeakPolarHBondContact CE-OE2 3.42Å; K46-E85 IonicContact NZ-OE1 3.32Å; K46-E85 PolarHBondContact NZ-OE1 2.63Å; K46-E85 IonicContact NZ-OE2 3.98Å; K46-E85 PolarHBondContact NZ-OE2 3.21Å; E83-E85 PolarHBondContact O-N 2.96Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-R104 IonicContact OE1-NH2 3.88Å; E85-R104 PolarHBondContact OE1-NH2 2.78Å
86S86Confident84.3Confident69 Ų6948.5 Ų48.548%0.48325%0.245SC..THydrogen-bonded Turntrans-78-16.7174.446.40000113.7T41 E84T41-S86 WeakPolarHBondContact CG2-O 3.47Å; E84-S86 WeakPolarHBondContact CG-OG 3.36Å; E84-S86 PolarHBondContact O-N 2.82Å
87R86.1Confident85.4Confident38 Ų3844.8 Ų44.814%0.14322%0.222CC..SBendtrans-63.3143.1178.8-71.1173.464.2-164.41.3110.9T41 I42 E80 E84 E85 V92T41-R87 CarbonylContact C-O 3.52Å; T41-R87 VanDerWaalsContact CA-O 3.25Å; T41-R87 WeakPolarHBondContact CA-O 3.37Å; I42-R87 WeakPolarHBondContact CG1-O 3.2Å; I42-R87 PolarHBondContact N-O 2.79Å; E80-R87 IonicContact OE1-CZ 2.65Å; E80-R87 IonicContact OE1-NH1 2.73Å; E80-R87 PolarHBondContact OE1-NH1 3.2Å; E80-R87 IonicContact OE1-NH2 3.25Å; E84-R87 HydrophobicContact CB-CG 4.29Å; E84-R87 HydrophobicContact CG-CG 4.08Å; E84-R87 PolarHBondContact O-N 3.48Å; E85-R87 VanDerWaalsContact C-N 3.34Å; R87-V92 HydrophobicContact CB-CG2 4.06Å
88R87.5Confident86.2Confident26 Ų2643 Ų4310%0.09820%0.203CC..BIsolated β-bridgetrans-78.7150.2170.9-50.7174.6-175.7-143.7-2.3109.5N39 D40 S90 D91 V92 E720 E724N39-R88 PolarHBondContact OD1-NH1 3.09Å; D40-R88 WeakPolarHBondContact O-CA 3.31Å; R88-S90 PolarHBondContact O-N 3.33Å; R88-D91 VanDerWaalsContact CB-OD2 3.3Å; R88-D91 WeakPolarHBondContact CB-OD2 3.47Å; R88-D91 PolarHBondContact O-N 3.35Å; R88-V92 PolarHBondContact O-N 2.88Å; R88-V92 VanDerWaalsContact O-N 3.12Å; R88-E720 IonicContact NH1-OE2 2.68Å; R88-E720 IonicContact NH2-OE2 3.48Å; R88-E724 IonicContact CZ-OE2 3.7Å; R88-E724 IonicContact NE-OE2 2.83Å; R88-E724 IonicContact NH2-OE2 2.77Å; R88-E724 PolarHBondContact NH2-OE2 2.99Å
89I89.7Confident87.2Confident0 Ų041.1 Ų41.10%019%0.194CC..Hα-helixtrans-62.9-31178-166.168.2000112.4W12 M22 S37 R38 D40 I42 I45 D91 V92 R93 P94 L99W12-I89 HydrophobicContact CH2-CG1 3.85Å; W12-I89 HydrophobicContact CZ3-CG1 4.41Å; M22-I89 HydrophobicContact CE-CD1 3.73Å; M22-I89 HydrophobicContact CE-CG1 3.9Å; M22-I89 HydrophobicContact SD-CD1 4.12Å; M22-I89 HydrophobicContact SD-CG1 3.77Å; S37-I89 WeakPolarHBondContact O-CG2 3.46Å; R38-I89 WeakPolarHBondContact O-CG2 3.43Å; D40-I89 PolarHBondContact O-N 3.44Å; I42-I89 HydrophobicContact CD1-CD1 3.74Å; I45-I89 HydrophobicContact CD1-CB 3.8Å; I45-I89 HydrophobicContact CD1-CD1 4.46Å; I45-I89 HydrophobicContact CD1-CG1 4.31Å; I45-I89 HydrophobicContact CD1-CG2 4.16Å; I89-D91 PolarHBondContact O-N 2.86Å; I89-V92 HydrophobicContact CD1-CB 4.31Å; I89-V92 PolarHBondContact O-N 2.7Å; I89-R93 PolarHBondContact O-N 3.06Å; I89-P94 HydrophobicContact CD1-CG 4.11Å; I89-L99 HydrophobicContact CD1-CD1 4.17Å; I89-L99 HydrophobicContact CD1-CD2 4.37Å
90S82.6Confident87.8Confident17 Ų1740.8 Ų40.812%0.11919%0.193CC..Hα-helixtrans-63.2-20.9172.760.90000114.9R38 R88 R93R38-S90 VanDerWaalsContact O-CB 3.24Å; R38-S90 WeakPolarHBondContact O-CB 3.35Å; R38-S90 PolarHBondContact O-N 3.13Å; R38-S90 VanDerWaalsContact O-N 3.11Å; R38-S90 PolarHBondContact O-OG 2.98Å; R88-S90 PolarHBondContact O-N 3.33Å; S90-R93 WeakPolarHBondContact O-CG 3.39Å; S90-R93 PolarHBondContact O-NE 2.87Å
91D79.6Confident88.3Confident49 Ų4939.3 Ų39.326%0.26219%0.186SC..Hα-helixtrans-96.2-25.6177.5-52.6-37.6000111.2R88 I89 K693R88-D91 VanDerWaalsContact CB-OD2 3.3Å; R88-D91 WeakPolarHBondContact CB-OD2 3.47Å; R88-D91 PolarHBondContact O-N 3.35Å; I89-D91 PolarHBondContact O-N 2.86Å; D91-K693 IonicContact OD1-NZ 3.15Å
92V84.9Confident88.5Confident8 Ų837.5 Ų37.55%0.04818%0.179CC..Hα-helixtrans-72.1-44.4170.91790000111.2I42 L82 R87 R88 I89I42-V92 HydrophobicContact CD1-CG2 4.11Å; I42-V92 HydrophobicContact CG1-CG2 4.19Å; L82-V92 HydrophobicContact CD1-CG1 4.08Å; L82-V92 HydrophobicContact CD2-CG1 3.61Å; L82-V92 HydrophobicContact CD2-CG2 4.11Å; R87-V92 HydrophobicContact CB-CG2 4.06Å; R88-V92 PolarHBondContact O-N 2.88Å; R88-V92 VanDerWaalsContact O-N 3.12Å; I89-V92 HydrophobicContact CD1-CB 4.31Å; I89-V92 PolarHBondContact O-N 2.7Å
93R83.1Confident88.5Confident116 Ų11640 Ų4044%0.43820%0.2SC..  trans46.660.1-178.9-55.4-178.2-177.9-174.1-5.1112.1W12 Q75 I89 S90 F95W12-R93 HydrophobicContact CD2-CB 4.42Å; W12-R93 HydrophobicContact CD2-CG 4.5Å; Q75-R93 HydrophobicContact CG-CB 4.37Å; Q75-R93 WeakPolarHBondContact CG-O 3.36Å; Q75-R93 PolarHBondContact NE2-O 2.97Å; I89-R93 PolarHBondContact O-N 3.06Å; S90-R93 WeakPolarHBondContact O-CG 3.39Å; S90-R93 PolarHBondContact O-NE 2.87Å; R93-F95 PolarHBondContact O-N 2.71Å
94P88.5Confident88.5Confident0 Ų042.1 Ų42.10%021%0.208CC..  trans-57.5143.8177.130.5-37.8000110W12 M22 C72 I73 Q75 I89 M96W12-P94 HydrophobicContact CH2-CG 4.28Å; W12-P94 VanDerWaalsContact CZ2-CD 3.49Å; W12-P94 HydrophobicContact CZ2-CG 3.75Å; W12-P94 PolarHBondContact NE1-O 3.31Å; M22-P94 HydrophobicContact CE-CG 4.26Å; C72-P94 HydrophobicContact CB-CB 3.71Å; I73-P94 CarbonylContact O-C 3.44Å; I73-P94 WeakPolarHBondContact O-CA 3.48Å; Q75-P94 PolarHBondContact NE2-O 3.2Å; I89-P94 HydrophobicContact CD1-CG 4.11Å; P94-M96 CarbonylContact C-O 3.53Å; P94-M96 VanDerWaalsContact CB-O 3.23Å; P94-M96 WeakPolarHBondContact CB-O 3.34Å; P94-M96 WeakPolarHBondContact CG-O 3.46Å; P94-M96 PolarHBondContact O-N 3.06Å
95F85.4Confident88.4Confident60 Ų6045.8 Ų45.826%0.26323%0.225SC..SBendtrans-54.9-36.4-177177.2-107.3000112.6Y6 T8 I73 N74 R93Y6-F95 WeakPolarHBondContact O-CE2 3.49Å; T8-F95 PolarHBondContact OG1-O 2.9Å; I73-F95 HydrophobicContact CB-CB 4.36Å; I73-F95 HydrophobicContact CG2-CB 4.09Å; I73-F95 WeakPolarHBondContact O-CB 3.3Å; I73-F95 PolarHBondContact O-N 3.44Å; N74-F95 WeakPolarHBondContact O-CB 3.4Å; R93-F95 PolarHBondContact O-N 2.71Å
96M87.4Confident87.8Confident109 Ų10948.7 Ų48.754%0.53726%0.258SS..SBendtrans-123.2155.6165-64.1-177179.400108.4P94 V98P94-M96 CarbonylContact C-O 3.53Å; P94-M96 VanDerWaalsContact CB-O 3.23Å; P94-M96 WeakPolarHBondContact CB-O 3.34Å; P94-M96 WeakPolarHBondContact CG-O 3.46Å; P94-M96 PolarHBondContact O-N 3.06Å; M96-V98 HydrophobicContact CB-CB 4.49Å; M96-V98 HydrophobicContact CB-CG2 3.89Å; M96-V98 PolarHBondContact O-N 2.6Å
97C91.4Very high87.5Confident9 Ų947.7 Ų47.76%0.06125%0.248CC..SBendtrans-72.350.5176.3-66.50000112.3E11 W12 M22 D23E11-C97 PolarHBondContact OE2-SG 3.36Å; W12-C97 VanDerWaalsContact CZ2-SG 3.58Å; M22-C97 WeakPolarHBondContact CA-O 3.36Å; M22-C97 HydrophobicContact CG-CB 4.2Å; D23-C97 PolarHBondContact N-O 2.89Å
98V94.5Very high87.1Confident41 Ų4152.4 Ų52.425%0.24827%0.265CS..EExtended strand (participates in β ladder)trans-124.3124-174.6-176.90000109.6D23 L25 M96D23-V98 HydrophobicContact CB-CG2 4.13Å; D23-V98 CarbonylContact O-C 3.55Å; D23-V98 VanDerWaalsContact O-CA 3.32Å; D23-V98 WeakPolarHBondContact O-CA 3.41Å; L25-V98 HydrophobicContact CD1-CG1 3.98Å; L25-V98 HydrophobicContact CG-CG1 4.19Å; M96-V98 HydrophobicContact CB-CB 4.49Å; M96-V98 HydrophobicContact CB-CG2 3.89Å; M96-V98 PolarHBondContact O-N 2.6Å
99L96.6Very high86.6Confident0 Ų052.8 Ų52.80%027%0.272CS..EExtended strand (participates in β ladder)trans-117.3122.9169.8-64.2-175.2000110.5M22 D23 F24 L25 I42 I45 F70 C72 L82 I89M22-L99 HydrophobicContact CE-CD1 3.99Å; M22-L99 HydrophobicContact CE-CD2 4.29Å; M22-L99 HydrophobicContact CE-CG 3.67Å; D23-L99 PolarHBondContact O-N 2.92Å; F24-L99 VanDerWaalsContact CA-O 3.29Å; F24-L99 WeakPolarHBondContact CA-O 3.5Å; F24-L99 HydrophobicContact CD1-CB 3.99Å; F24-L99 HydrophobicContact CE1-CB 4.23Å; F24-L99 HydrophobicContact CE1-CD1 4.03Å; F24-L99 HydrophobicContact CE1-CG 4.47Å; L25-L99 PolarHBondContact N-O 3.2Å; I42-L99 HydrophobicContact CD1-CD1 4.45Å; I45-L99 HydrophobicContact CG2-CD1 4.2Å; F70-L99 HydrophobicContact CB-CB 4.48Å; F70-L99 HydrophobicContact CD1-CB 3.69Å; F70-L99 HydrophobicContact CD1-CD1 4.32Å; F70-L99 HydrophobicContact CD2-CD1 4.31Å; F70-L99 HydrophobicContact CE1-CB 4.14Å; F70-L99 HydrophobicContact CG-CB 4.2Å; F70-L99 HydrophobicContact CG-CD1 4.15Å; C72-L99 HydrophobicContact CB-CD2 3.73Å; L82-L99 HydrophobicContact CD1-CD2 3.81Å; I89-L99 HydrophobicContact CD1-CD1 4.17Å; I89-L99 HydrophobicContact CD1-CD2 4.37Å
100R97.1Very high86.1Confident131 Ų13154.6 Ų54.649%0.49428%0.28SS..EExtended strand (participates in β ladder)trans-101.3122.4175.8178.7-178.9-178.5-175.31.8110.4L25 F70 T71 V102L25-R100 HydrophobicContact CB-CB 4.09Å; L25-R100 HydrophobicContact CB-CG 4.02Å; L25-R100 HydrophobicContact CD1-CB 4.31Å; F70-R100 CarbonylContact C-O 3.55Å; T71-R100 PolarHBondContact N-O 2.79Å; T71-R100 PolarHBondContact O-N 3.1Å; T71-R100 PolarHBondContact OG1-O 2.95Å; R100-V102 HydrophobicContact CG-CG1 4Å
101L95.7Very high86.1Confident2 Ų256.5 Ų56.51%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-82.2127.1176.2-168.174.4000110.1L25 L26 W50 Y68 F70L25-L101 PolarHBondContact O-N 2.92Å; L26-L101 HydrophobicContact CD2-CB 4.34Å; L26-L101 HydrophobicContact CD2-CD2 4.06Å; W50-L101 HydrophobicContact CH2-CD1 3.9Å; W50-L101 HydrophobicContact CH2-CD2 3.34Å; W50-L101 HydrophobicContact CH2-CG 4.16Å; W50-L101 HydrophobicContact CZ2-CD2 4.17Å; W50-L101 HydrophobicContact CZ3-CD1 3.82Å; W50-L101 HydrophobicContact CZ3-CD2 3.64Å; W50-L101 HydrophobicContact CZ3-CG 4.38Å; Y68-L101 HydrophobicContact CD1-CD2 4.22Å; Y68-L101 HydrophobicContact CD1-CG 4.12Å; Y68-L101 HydrophobicContact CG-CD1 4.39Å; Y68-L101 HydrophobicContact CG-CD2 4.1Å; Y68-L101 HydrophobicContact CG-CG 4.08Å; F70-L101 HydrophobicContact CD1-CB 4.29Å; F70-L101 HydrophobicContact CD1-CD1 3.88Å; F70-L101 HydrophobicContact CE1-CB 4.21Å; F70-L101 HydrophobicContact CE1-CD1 3.77Å; F70-L101 HydrophobicContact CG-CD1 4.41Å; F70-L101 HydrophobicContact CZ-CD1 4.23Å
102V93.6Very high86.2Confident20 Ų2056.3 Ų56.312%0.12129%0.285CS..EExtended strand (participates in β ladder)trans-133.8153.8178.5-57.10000111.1Y68 V69 T71 R100Y68-V102 CarbonylContact C-O 3.53Å; Y68-V102 WeakPolarHBondContact CA-O 3.27Å; Y68-V102 WeakPolarHBondContact CB-O 3.38Å; V69-V102 HydrophobicContact CG1-CG2 3.67Å; V69-V102 PolarHBondContact N-O 2.72Å; V69-V102 PolarHBondContact O-N 3Å; T71-V102 HydrophobicContact CG2-CG1 4.44Å; T71-V102 HydrophobicContact CG2-CG2 3.56Å; R100-V102 HydrophobicContact CG-CG1 4Å
103A90.3Very high86.2Confident55 Ų5556.2 Ų56.246%0.45529%0.285SS..EExtended strand (participates in β ladder)trans-63.6142173.600000110.1E105A103-E105 PolarHBondContact O-N 3.2Å
104R87.1Confident86.3Confident52 Ų5252.6 Ų52.620%0.19627%0.274CS..  trans-74.5122.1174.9-70.6173.3-179.6-81.43.6109.4D66 L67 Y68 V69 E83 E85D66-R104 WeakPolarHBondContact O-CD 3.47Å; D66-R104 PolarHBondContact O-NE 3Å; L67-R104 PolarHBondContact O-N 2.82Å; Y68-R104 PolarHBondContact O-NE 3.15Å; Y68-R104 PolarHBondContact O-NH2 2.68Å; V69-R104 HydrophobicContact CB-CG 3.88Å; V69-R104 HydrophobicContact CG1-CG 4.06Å; E83-R104 IonicContact OE1-NH1 2.68Å; E83-R104 PolarHBondContact OE1-NH1 3.46Å; E83-R104 IonicContact OE2-CZ 3Å; E83-R104 IonicContact OE2-NH1 3.58Å; E83-R104 PolarHBondContact OE2-NH1 3.06Å; E85-R104 IonicContact OE1-NH2 3.88Å; E85-R104 PolarHBondContact OE1-NH2 2.78Å
105E81.1Confident86Confident147 Ų14754.3 Ų54.369%0.68729%0.288SS*.  trans-123.7145.3175-66.3-179.818000110.3A103 K111A103-E105 PolarHBondContact O-N 3.2Å; E105-K111 WeakPolarHBondContact O-CE 3.48Å; E105-K111 PolarHBondContact O-NZ 3.25Å
106G76.2Confident86Confident74 Ų7452.6 Ų52.676%0.76328%0.281SS*.SBendtrans83.3-174.7177.200000115.4R108G106-R108 PolarHBondContact O-N 2.86Å
107D78.4Confident86.2Confident48 Ų4847.4 Ų47.426%0.25726%0.255SS..  trans-75107178.4-175.4-16.4000110.5S109 E110 K111 T299D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 2.74Å; D107-S109 WeakPolarHBondContact OD1-CB 3.29Å; D107-S109 PolarHBondContact OD1-N 2.92Å; D107-E110 HydrophobicContact CB-CB 4.09Å; D107-E110 PolarHBondContact O-N 2.8Å; D107-E110 PolarHBondContact OD1-N 2.82Å; D107-K111 PolarHBondContact O-N 3.36Å; D107-T299 PolarHBondContact OD2-OG1 2.89Å
108R78.7Confident86Confident137 Ų13748.2 Ų48.252%0.51726%0.261SS..Hα-helixtrans-54.3-40.5177.8-172.8-176.1177-172-2.1112.7E83 G106 K111 L112E83-R108 VanDerWaalsContact OE2-CG 3.32Å; E83-R108 WeakPolarHBondContact OE2-CG 3.23Å; E83-R108 IonicContact OE2-NE 2.89Å; E83-R108 PolarHBondContact OE2-NE 2.77Å; G106-R108 PolarHBondContact O-N 2.86Å; R108-K111 PolarHBondContact O-N 2.93Å; R108-L112 WeakPolarHBondContact O-CB 3.46Å; R108-L112 PolarHBondContact O-N 2.96Å
109S76.6Confident85.5Confident33 Ų3350.6 Ų50.623%0.23127%0.272CS..Hα-helixtrans-70.7-36.2-175.3-161.80000111.6D107 T113 M296D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 2.74Å; D107-S109 WeakPolarHBondContact OD1-CB 3.29Å; D107-S109 PolarHBondContact OD1-N 2.92Å; S109-T113 WeakPolarHBondContact O-CB 3.46Å; S109-T113 PolarHBondContact O-N 3.21Å; S109-T113 VanDerWaalsContact O-N 3.11Å; S109-T113 PolarHBondContact O-OG1 3.26Å; S109-M296 VanDerWaalsContact OG-CG 3.24Å; S109-M296 WeakPolarHBondContact OG-CG 3.4Å
110E80.6Confident85.2Confident38 Ų3850.6 Ų50.618%0.17827%0.272CS..Hα-helixtrans-68.7-45.5173.6-178.9162.5-14800111.3D107 L112 T113 N114 R144 R300D107-E110 HydrophobicContact CB-CB 4.09Å; D107-E110 PolarHBondContact O-N 2.8Å; D107-E110 PolarHBondContact OD1-N 2.82Å; E110-L112 PolarHBondContact O-N 3.37Å; E110-T113 PolarHBondContact O-N 3.39Å; E110-N114 WeakPolarHBondContact O-CB 3.23Å; E110-N114 PolarHBondContact O-N 3.15Å; E110-R144 IonicContact OE1-CZ 3.5Å; E110-R144 IonicContact OE1-NH1 3.09Å; E110-R144 PolarHBondContact OE1-NH1 3.12Å; E110-R144 IonicContact OE1-NH2 3.72Å; E110-R144 PolarHBondContact OE1-NH2 3Å; E110-R300 IonicContact OE1-CZ 3.75Å; E110-R300 IonicContact OE1-NH1 2.63Å; E110-R300 IonicContact OE1-NH2 3.74Å; E110-R300 PolarHBondContact OE1-NH2 3.39Å; E110-R300 IonicContact OE2-CZ 2.75Å; E110-R300 IonicContact OE2-NE 2.78Å; E110-R300 IonicContact OE2-NH2 3.36Å; E110-R300 PolarHBondContact OE2-NH2 3.27Å
111K82Confident84.9Confident57 Ų5744.4 Ų44.425%0.24825%0.248CC..Hα-helixtrans-59.2-47.1176.4-76-178.1158.4-162.60112.4E81 E83 E105 D107 R108 T113 N114 A115E81-K111 VanDerWaalsContact CD-NZ 3.35Å; E81-K111 IonicContact OE1-NZ 3.92Å; E81-K111 PolarHBondContact OE1-NZ 2.96Å; E81-K111 VanDerWaalsContact OE1-NZ 3.14Å; E81-K111 WeakPolarHBondContact OE2-CD 3.48Å; E81-K111 WeakPolarHBondContact OE2-CE 3.33Å; E81-K111 IonicContact OE2-NZ 3.86Å; E81-K111 PolarHBondContact OE2-NZ 2.89Å; E83-K111 HydrophobicContact CG-CB 4.29Å; E105-K111 WeakPolarHBondContact O-CE 3.48Å; E105-K111 PolarHBondContact O-NZ 3.25Å; D107-K111 PolarHBondContact O-N 3.36Å; R108-K111 PolarHBondContact O-N 2.93Å; K111-T113 VanDerWaalsContact C-N 3.34Å; K111-T113 PolarHBondContact O-N 3.28Å; K111-N114 PolarHBondContact O-N 3.48Å; K111-A115 WeakPolarHBondContact O-CB 3.3Å; K111-A115 PolarHBondContact O-N 2.95Å
112L81.8Confident84.3Confident46 Ų4647.1 Ų47.124%0.24128%0.277CS..Hα-helixtrans-59.8-44.9176.8179.264000111.4E83 E84 R108 E110 A115 Q116E83-L112 HydrophobicContact CB-CB 4.28Å; E83-L112 HydrophobicContact CB-CD1 3.88Å; E84-L112 HydrophobicContact CB-CD1 3.9Å; R108-L112 WeakPolarHBondContact O-CB 3.46Å; R108-L112 PolarHBondContact O-N 2.96Å; E110-L112 PolarHBondContact O-N 3.37Å; L112-A115 PolarHBondContact O-N 3.43Å; L112-Q116 HydrophobicContact CD1-CG 4.49Å; L112-Q116 WeakPolarHBondContact O-CG 3.44Å; L112-Q116 PolarHBondContact O-N 3.01Å
113T83.8Confident83.8Confident5 Ų547.6 Ų47.63%0.03128%0.278CS..Hα-helixtrans-65.9-42.7179.1-610000111.6S109 E110 K111 A115 Q116 I117 M296 I681S109-T113 WeakPolarHBondContact O-CB 3.46Å; S109-T113 PolarHBondContact O-N 3.21Å; S109-T113 VanDerWaalsContact O-N 3.11Å; S109-T113 PolarHBondContact O-OG1 3.26Å; E110-T113 PolarHBondContact O-N 3.39Å; K111-T113 VanDerWaalsContact C-N 3.34Å; K111-T113 PolarHBondContact O-N 3.28Å; T113-A115 VanDerWaalsContact C-N 3.29Å; T113-A115 PolarHBondContact O-N 3.09Å; T113-Q116 PolarHBondContact O-N 3.26Å; T113-I117 HydrophobicContact CG2-CD1 3.76Å; T113-I117 HydrophobicContact CG2-CG1 4.21Å; T113-I117 WeakPolarHBondContact O-CB 3.06Å; T113-I117 VanDerWaalsContact O-CG1 3.25Å; T113-I117 WeakPolarHBondContact O-CG1 3.29Å; T113-I117 PolarHBondContact O-N 3.15Å; T113-M296 HydrophobicContact CG2-CE 3.85Å; T113-M296 WeakPolarHBondContact OG1-CE 3.25Å; T113-I681 HydrophobicContact CG2-CD1 4.45Å
114N85.8Confident83.3Confident41 Ų4145.2 Ų45.222%0.21926%0.258CS..Hα-helixtrans-61.1-39.8176.5-72.1-12.3000111.5E110 K111 S118 L125 R675E110-N114 WeakPolarHBondContact O-CB 3.23Å; E110-N114 PolarHBondContact O-N 3.15Å; K111-N114 PolarHBondContact O-N 3.48Å; N114-S118 WeakPolarHBondContact O-CB 3.47Å; N114-S118 PolarHBondContact O-N 3.37Å; N114-S118 PolarHBondContact O-OG 3.38Å; N114-L125 HydrophobicContact CB-CD1 4Å; N114-R675 PolarHBondContact OD1-NH1 3.24Å; N114-R675 PolarHBondContact OD1-NH2 3.11Å
115A82.7Confident83.2Confident35 Ų3543 Ų4329%0.28925%0.25SS..Hα-helixtrans-64.5-46.6175.100000111.7K111 L112 T113 I117 S118 L119K111-A115 WeakPolarHBondContact O-CB 3.3Å; K111-A115 PolarHBondContact O-N 2.95Å; L112-A115 PolarHBondContact O-N 3.43Å; T113-A115 VanDerWaalsContact C-N 3.29Å; T113-A115 PolarHBondContact O-N 3.09Å; A115-I117 PolarHBondContact O-N 2.93Å; A115-S118 PolarHBondContact O-N 3.06Å; A115-L119 WeakPolarHBondContact O-CB 3.02Å; A115-L119 PolarHBondContact O-N 3.09Å
116Q85.9Confident83.2Confident25 Ų2540.4 Ų40.412%0.11724%0.238CC..Hα-helixtrans-61.3-43.9177.1-73.2178.3-24.800112.2L112 T113 L120 I681L112-Q116 HydrophobicContact CD1-CG 4.49Å; L112-Q116 WeakPolarHBondContact O-CG 3.44Å; L112-Q116 PolarHBondContact O-N 3.01Å; T113-Q116 PolarHBondContact O-N 3.26Å; Q116-L120 WeakPolarHBondContact O-CB 3.2Å; Q116-L120 PolarHBondContact O-N 2.96Å; Q116-I681 HydrophobicContact CB-CG2 4.01Å
117I90.6Very high83.6Confident0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-62.1-48.7175.1-67174.5000109.9T113 A115 L119 L120 I121 L125 E671 C674 R675 I681T113-I117 HydrophobicContact CG2-CD1 3.76Å; T113-I117 HydrophobicContact CG2-CG1 4.21Å; T113-I117 WeakPolarHBondContact O-CB 3.06Å; T113-I117 VanDerWaalsContact O-CG1 3.25Å; T113-I117 WeakPolarHBondContact O-CG1 3.29Å; T113-I117 PolarHBondContact O-N 3.15Å; A115-I117 PolarHBondContact O-N 2.93Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 3.47Å; I117-L120 PolarHBondContact O-N 2.86Å; I117-L120 VanDerWaalsContact O-N 3.14Å; I117-I121 HydrophobicContact CG2-CD1 4.29Å; I117-I121 HydrophobicContact CG2-CG2 4.12Å; I117-I121 WeakPolarHBondContact O-CG1 3.29Å; I117-I121 WeakPolarHBondContact O-CG2 3.18Å; I117-I121 PolarHBondContact O-N 2.74Å; I117-L125 HydrophobicContact CB-CD1 4.22Å; I117-L125 HydrophobicContact CG2-CD1 4.07Å; I117-L125 HydrophobicContact CG2-CD2 3.97Å; I117-L125 HydrophobicContact CG2-CG 4.31Å; I117-E671 HydrophobicContact CG2-CB 4.46Å; I117-E671 HydrophobicContact CG2-CG 4.43Å; I117-C674 HydrophobicContact CD1-CB 3.87Å; I117-C674 HydrophobicContact CG1-CB 3.69Å; I117-C674 HydrophobicContact CG2-CB 4.39Å; I117-R675 HydrophobicContact CD1-CG 3.74Å; I117-I681 HydrophobicContact CD1-CD1 4.36Å; I117-I681 HydrophobicContact CG1-CD1 3.85Å
118S87.6Confident83.9Confident26 Ų2637.7 Ų37.718%0.18220%0.204CC..Hα-helixtrans-58.2-45.9-178.2-590000111.8N114 A115 G122 K123 L125N114-S118 WeakPolarHBondContact O-CB 3.47Å; N114-S118 PolarHBondContact O-N 3.37Å; N114-S118 PolarHBondContact O-OG 3.38Å; A115-S118 PolarHBondContact O-N 3.06Å; S118-G122 WeakPolarHBondContact O-CA 3.28Å; S118-G122 PolarHBondContact O-N 3.16Å; S118-K123 VanDerWaalsContact CA-O 3.24Å; S118-K123 WeakPolarHBondContact CA-O 3.27Å; S118-K123 WeakPolarHBondContact CB-O 3.39Å; S118-K123 PolarHBondContact O-N 2.86Å; S118-K123 VanDerWaalsContact O-N 3.11Å; S118-L125 WeakPolarHBondContact OG-CG 3.42Å; S118-L125 PolarHBondContact OG-N 3.28Å
119L84.2Confident84Confident90 Ų9036.2 Ų36.247%0.47120%0.203SC..Hα-helixtrans-62.8-43.9176.4-178.864.7000111.6A115 I117 G122A115-L119 WeakPolarHBondContact O-CB 3.02Å; A115-L119 PolarHBondContact O-N 3.09Å; I117-L119 VanDerWaalsContact C-N 3.34Å; I117-L119 PolarHBondContact O-N 3.47Å; L119-G122 PolarHBondContact O-N 3.15Å
120L90Very high84.3Confident1 Ų138.1 Ų38.11%0.00522%0.22CC..Hα-helixtrans-68.9-40.9-177.1-176.960.8000112.4Q116 I117 G122 F650 K654 I681 L684 N688Q116-L120 WeakPolarHBondContact O-CB 3.2Å; Q116-L120 PolarHBondContact O-N 2.96Å; I117-L120 PolarHBondContact O-N 2.86Å; I117-L120 VanDerWaalsContact O-N 3.14Å; L120-G122 VanDerWaalsContact C-N 3.34Å; L120-F650 HydrophobicContact CD1-CE1 4.46Å; L120-F650 HydrophobicContact CD1-CE2 4.3Å; L120-F650 HydrophobicContact CD1-CZ 3.65Å; L120-F650 HydrophobicContact CD2-CE2 3.77Å; L120-F650 HydrophobicContact CD2-CZ 3.96Å; L120-F650 HydrophobicContact CG-CE2 3.75Å; L120-F650 HydrophobicContact CG-CZ 3.58Å; L120-K654 WeakPolarHBondContact O-CE 3.27Å; L120-I681 HydrophobicContact CD2-CB 4.49Å; L120-I681 HydrophobicContact CD2-CG2 3.99Å; L120-L684 HydrophobicContact CD1-CB 3.89Å; L120-L684 HydrophobicContact CD2-CB 3.76Å; L120-L684 HydrophobicContact CD2-CD1 4.21Å; L120-L684 HydrophobicContact CG-CB 4.45Å; L120-N688 HydrophobicContact CD1-CB 3.94Å
121I89.4Confident84.3Confident0 Ų040.2 Ų40.20%023%0.23CC..Hα-helixtrans-76.7-25.5176.572.3-177.4000111.6I117 K123 L125 F128 K654 L670I117-I121 HydrophobicContact CG2-CD1 4.29Å; I117-I121 HydrophobicContact CG2-CG2 4.12Å; I117-I121 WeakPolarHBondContact O-CG1 3.29Å; I117-I121 WeakPolarHBondContact O-CG2 3.18Å; I117-I121 PolarHBondContact O-N 2.74Å; I121-K123 HydrophobicContact CD1-CB 4.08Å; I121-K123 WeakPolarHBondContact CD1-O 3.36Å; I121-K123 HydrophobicContact CG1-CB 3.95Å; I121-K123 WeakPolarHBondContact CG1-O 3.49Å; I121-L125 HydrophobicContact CD1-CD2 3.8Å; I121-F128 HydrophobicContact CD1-CE2 4.22Å; I121-F128 HydrophobicContact CD1-CZ 4.48Å; I121-K654 VanDerWaalsContact O-CE 3.25Å; I121-K654 WeakPolarHBondContact O-CE 3.16Å; I121-K654 PolarHBondContact O-NZ 3.35Å; I121-L670 HydrophobicContact CG2-CB 3.72Å; I121-L670 HydrophobicContact CG2-CD1 4.28Å
122G84.1Confident84.3Confident59 Ų5946.1 Ų46.161%0.60826%0.256SS*.THydrogen-bonded Turntrans77.132.9-175.700000112.9S118 L119 L120S118-G122 WeakPolarHBondContact O-CA 3.28Å; S118-G122 PolarHBondContact O-N 3.16Å; L119-G122 PolarHBondContact O-N 3.15Å; L120-G122 VanDerWaalsContact C-N 3.34Å
123K82.6Confident84.7Confident31 Ų3146.5 Ų46.514%0.13526%0.258CS..SBendtrans-153.5136.1-177.8-165.9171.7-173.4167.30109.9S118 I121 L125 E127 F128 S663S118-K123 VanDerWaalsContact CA-O 3.24Å; S118-K123 WeakPolarHBondContact CA-O 3.27Å; S118-K123 WeakPolarHBondContact CB-O 3.39Å; S118-K123 PolarHBondContact O-N 2.86Å; S118-K123 VanDerWaalsContact O-N 3.11Å; I121-K123 HydrophobicContact CD1-CB 4.08Å; I121-K123 WeakPolarHBondContact CD1-O 3.36Å; I121-K123 HydrophobicContact CG1-CB 3.95Å; I121-K123 WeakPolarHBondContact CG1-O 3.49Å; K123-L125 PolarHBondContact O-N 3.02Å; K123-E127 WeakPolarHBondContact CE-OE2 3.39Å; K123-E127 VanDerWaalsContact CG-OE1 3.29Å; K123-E127 WeakPolarHBondContact CG-OE1 3.46Å; K123-E127 WeakPolarHBondContact CG-OE2 3.37Å; K123-F128 HydrophobicContact CD-CE1 3.77Å; K123-F128 HydrophobicContact CD-CZ 3.83Å; K123-F128 HydrophobicContact CG-CZ 4.44Å; K123-S663 PolarHBondContact NZ-OG 3.47Å
124G80.8Confident85.1Confident4 Ų452.9 Ų52.94%0.04129%0.287CS..  trans-69.9128.417900000111.5H126 E127G124-H126 PolarHBondContact O-N 2.63Å; G124-E127 PolarHBondContact N-OE1 3.24Å; G124-E127 WeakPolarHBondContact O-CB 3.34Å; G124-E127 WeakPolarHBondContact O-CG 3.46Å; G124-E127 PolarHBondContact O-N 3.35Å
125L84.9Confident85.6Confident7 Ų752.1 Ų52.14%0.03728%0.282CS..Hα-helixtrans-61.8-28.6176.5-67.9-174.6000113.2N114 I117 S118 I121 K123 E127 F128 E671N114-L125 HydrophobicContact CB-CD1 4Å; I117-L125 HydrophobicContact CB-CD1 4.22Å; I117-L125 HydrophobicContact CG2-CD1 4.07Å; I117-L125 HydrophobicContact CG2-CD2 3.97Å; I117-L125 HydrophobicContact CG2-CG 4.31Å; S118-L125 WeakPolarHBondContact OG-CG 3.42Å; S118-L125 PolarHBondContact OG-N 3.28Å; I121-L125 HydrophobicContact CD1-CD2 3.8Å; K123-L125 PolarHBondContact O-N 3.02Å; L125-E127 PolarHBondContact O-N 3Å; L125-F128 HydrophobicContact CD2-CD2 3.95Å; L125-F128 HydrophobicContact CD2-CE2 3.74Å; L125-F128 WeakPolarHBondContact O-CB 3.38Å; L125-F128 PolarHBondContact O-N 3.47Å; L125-E671 HydrophobicContact CD1-CG 4.36Å; L125-E671 HydrophobicContact CD2-CB 4.09Å; L125-E671 HydrophobicContact CD2-CG 3.81Å
126H81.1Confident86.1Confident92 Ų9250.5 Ų50.543%0.42627%0.269SS..Hα-helixtrans-66.3-23.3174.969.4-79.6000112.5E78 G124 F128 E129 A130E78-H126 IonicContact OE1-CE1 3.62Å; E78-H126 PolarHBondContact OE1-CE1 2.91Å; E78-H126 IonicContact OE1-NE2 2.75Å; E78-H126 PolarHBondContact OE1-NE2 3.16Å; E78-H126 IonicContact OE2-CE1 3.14Å; E78-H126 PolarHBondContact OE2-CE1 3.3Å; G124-H126 PolarHBondContact O-N 2.63Å; H126-F128 PolarHBondContact O-N 3.47Å; H126-E129 PolarHBondContact O-N 3.18Å; H126-E129 VanDerWaalsContact O-N 3.16Å; H126-A130 WeakPolarHBondContact O-CB 3.42Å; H126-A130 PolarHBondContact O-N 3.32Å
127E83.2Confident86.4Confident65 Ų6552 Ų5230%0.30428%0.278SS..Hα-helixtrans-62.3-32.4173.6-62.4177.2-134.400111.1K123 G124 L125 Q131K123-E127 WeakPolarHBondContact CE-OE2 3.39Å; K123-E127 VanDerWaalsContact CG-OE1 3.29Å; K123-E127 WeakPolarHBondContact CG-OE1 3.46Å; K123-E127 WeakPolarHBondContact CG-OE2 3.37Å; G124-E127 PolarHBondContact N-OE1 3.24Å; G124-E127 WeakPolarHBondContact O-CB 3.34Å; G124-E127 WeakPolarHBondContact O-CG 3.46Å; G124-E127 PolarHBondContact O-N 3.35Å; L125-E127 PolarHBondContact O-N 3Å; E127-Q131 WeakPolarHBondContact O-CG 3.39Å
128F85.4Confident86.6Confident0 Ų056.1 Ų56.10%030%0.297CS..Hα-helixtrans-69.9-39.4175.4-57.1-44.6000111.4I121 K123 L125 H126 Q131 V136 L664 L668I121-F128 HydrophobicContact CD1-CE2 4.22Å; I121-F128 HydrophobicContact CD1-CZ 4.48Å; K123-F128 HydrophobicContact CD-CE1 3.77Å; K123-F128 HydrophobicContact CD-CZ 3.83Å; K123-F128 HydrophobicContact CG-CZ 4.44Å; L125-F128 HydrophobicContact CD2-CD2 3.95Å; L125-F128 HydrophobicContact CD2-CE2 3.74Å; L125-F128 WeakPolarHBondContact O-CB 3.38Å; L125-F128 PolarHBondContact O-N 3.47Å; H126-F128 PolarHBondContact O-N 3.47Å; F128-Q131 PolarHBondContact O-N 3.02Å; F128-V136 HydrophobicContact CB-CG1 4.19Å; F128-L664 HydrophobicContact CD1-CD1 3.54Å; F128-L664 HydrophobicContact CE1-CD1 3.75Å; F128-L668 HydrophobicContact CB-CD2 4.21Å; F128-L668 HydrophobicContact CD1-CD2 4.04Å; F128-L668 HydrophobicContact CD1-CG 4.47Å; F128-L668 HydrophobicContact CD2-CD2 3.81Å; F128-L668 HydrophobicContact CE1-CD2 4.35Å; F128-L668 HydrophobicContact CE1-CG 4.44Å; F128-L668 HydrophobicContact CE2-CD2 4.13Å; F128-L668 HydrophobicContact CG-CD2 3.77Å; F128-L668 HydrophobicContact CZ-CD2 4.4Å
129E80.1Confident87Confident105 Ų10555.2 Ų55.249%0.49129%0.29SS..Hα-helixtrans-69.2-36.3179.2-64.6172.3-174.100111.7H126 Q131 K132 R140H126-E129 PolarHBondContact O-N 3.18Å; H126-E129 VanDerWaalsContact O-N 3.16Å; E129-Q131 PolarHBondContact O-N 3.16Å; E129-K132 PolarHBondContact O-N 3.15Å; E129-R140 IonicContact OE1-CZ 3.58Å; E129-R140 IonicContact OE1-NH1 2.74Å; E129-R140 PolarHBondContact OE1-NH1 3.32Å; E129-R140 IonicContact OE1-NH2 3.7Å; E129-R140 PolarHBondContact OE1-NH2 2.87Å
130A83.1Confident87.5Confident73 Ų7352.5 Ų52.560%0.60327%0.273SS*.Hα-helixtrans-65-21.3179.600000113.5H126 K132H126-A130 WeakPolarHBondContact O-CB 3.42Å; H126-A130 PolarHBondContact O-N 3.32Å; A130-K132 PolarHBondContact O-N 3.21Å
131Q80.9Confident87.5Confident83 Ų8356.2 Ų56.239%0.38830%0.296SS..THydrogen-bonded Turntrans-68.4-19.8-178.8-66.6-173.64.100113.7E127 F128 E129 N133E127-Q131 WeakPolarHBondContact O-CG 3.39Å; F128-Q131 PolarHBondContact O-N 3.02Å; E129-Q131 PolarHBondContact O-N 3.16Å; Q131-N133 HydrophobicContact CB-CB 4.24Å; Q131-N133 PolarHBondContact O-N 2.79Å; Q131-N133 VanDerWaalsContact O-N 3.16Å
132K82.9Confident87.8Confident181 Ų18161 Ų6179%0.78732%0.317SS*.  trans49.238.9-175-58.5179.9-179.2178.80112.3E129 A130E129-K132 PolarHBondContact O-N 3.15Å; A130-K132 PolarHBondContact O-N 3.21Å
133N89.3Confident88.3Confident53 Ų5358.4 Ų58.428%0.28329%0.289SS..  trans-101.8112.9-179.2-178.2-14.8000109.5Q131 E135 V136 D137Q131-N133 HydrophobicContact CB-CB 4.24Å; Q131-N133 PolarHBondContact O-N 2.79Å; Q131-N133 VanDerWaalsContact O-N 3.16Å; N133-E135 VanDerWaalsContact C-N 3.26Å; N133-E135 PolarHBondContact O-N 3.35Å; N133-E135 WeakPolarHBondContact OD1-CB 3.41Å; N133-E135 PolarHBondContact OD1-N 3.17Å; N133-V136 HydrophobicContact CB-CB 4.12Å; N133-V136 HydrophobicContact CB-CG2 3.86Å; N133-V136 WeakPolarHBondContact O-CB 3.39Å; N133-V136 PolarHBondContact O-N 3.33Å; N133-D137 PolarHBondContact O-N 3.14Å; N133-D137 VanDerWaalsContact O-N 3.09Å
134H92.6Very high88.7Confident139 Ų13959.1 Ų59.164%0.64429%0.291SS*.Hα-helixtrans-58.1-34.2-178.7-69.6-67.2000114.1V136 D137 E138H134-V136 VanDerWaalsContact C-N 3.32Å; H134-D137 PolarHBondContact O-N 3.43Å; H134-E138 VanDerWaalsContact O-CB 3.32Å; H134-E138 WeakPolarHBondContact O-CB 3.35Å; H134-E138 PolarHBondContact O-N 3.41Å
135E95.2Very high89.1Confident26 Ų2660.6 Ų60.612%0.12130%0.299CS..Hα-helixtrans-64.6-40176.7-171.2-173.1177.300110.9N133 F139 Y430 Y626 L627N133-E135 VanDerWaalsContact C-N 3.26Å; N133-E135 PolarHBondContact O-N 3.35Å; N133-E135 WeakPolarHBondContact OD1-CB 3.41Å; N133-E135 PolarHBondContact OD1-N 3.17Å; E135-F139 VanDerWaalsContact O-CB 3.23Å; E135-F139 WeakPolarHBondContact O-CB 3.41Å; E135-F139 PolarHBondContact O-N 2.69Å; E135-Y430 HydrophobicContact CB-CD1 3.73Å; E135-Y430 HydrophobicContact CB-CE1 3.87Å; E135-Y430 HydrophobicContact CB-CG 4.1Å; E135-Y430 HydrophobicContact CG-CD1 3.88Å; E135-Y430 HydrophobicContact CG-CD2 4.2Å; E135-Y430 HydrophobicContact CG-CE1 4.45Å; E135-Y430 HydrophobicContact CG-CG 3.76Å; E135-Y626 VanDerWaalsContact OE1-CA 3.23Å; E135-Y626 WeakPolarHBondContact OE1-CA 3.43Å; E135-Y626 WeakPolarHBondContact OE1-CB 3.46Å; E135-L627 HydrophobicContact CG-CB 4.38Å; E135-L627 HydrophobicContact CG-CD1 4.08Å; E135-L627 HydrophobicContact CG-CG 4.33Å; E135-L627 PolarHBondContact OE1-N 2.96Å
136V94.9Very high89.6Confident0 Ų062.1 Ų62.10%031%0.305CS..Hα-helixtrans-65.1-48.7177.41730000110.1F128 N133 H134 E138 F139 R140 L627 L664 L668F128-V136 HydrophobicContact CB-CG1 4.19Å; N133-V136 HydrophobicContact CB-CB 4.12Å; N133-V136 HydrophobicContact CB-CG2 3.86Å; N133-V136 WeakPolarHBondContact O-CB 3.39Å; N133-V136 PolarHBondContact O-N 3.33Å; H134-V136 VanDerWaalsContact C-N 3.32Å; V136-E138 PolarHBondContact O-N 3.13Å; V136-F139 PolarHBondContact O-N 3.25Å; V136-R140 HydrophobicContact CG1-CG 4.39Å; V136-R140 WeakPolarHBondContact O-CB 3.45Å; V136-R140 VanDerWaalsContact O-CG 3.25Å; V136-R140 WeakPolarHBondContact O-CG 3.3Å; V136-R140 PolarHBondContact O-N 3.42Å; V136-L627 HydrophobicContact CB-CD1 4.44Å; V136-L627 HydrophobicContact CG2-CD1 3.75Å; V136-L664 HydrophobicContact CG2-CD1 4.32Å; V136-L664 HydrophobicContact CG2-CD2 4.11Å; V136-L668 HydrophobicContact CG1-CD1 4.03Å; V136-L668 HydrophobicContact CG1-CD2 3.96Å; V136-L668 HydrophobicContact CG2-CD1 4.26Å
137D91.8Very high90.1Very high57 Ų5757.8 Ų57.831%0.30529%0.285SS..Hα-helixtrans-63.9-40.9-178.1-65.8-31.3000112.4N133 H134 T141N133-D137 PolarHBondContact O-N 3.14Å; N133-D137 VanDerWaalsContact O-N 3.09Å; H134-D137 PolarHBondContact O-N 3.43Å; D137-T141 WeakPolarHBondContact O-CB 3.44Å; D137-T141 PolarHBondContact O-N 3.21Å; D137-T141 PolarHBondContact O-OG1 3.34Å
138E94.4Very high90.3Very high87 Ų8756.8 Ų56.841%0.40728%0.281SS..Hα-helixtrans-68.5-44.2177.7-168.8164.8159.900111.3H134 V136 R140 T141 K142 Y430 K431H134-E138 VanDerWaalsContact O-CB 3.32Å; H134-E138 WeakPolarHBondContact O-CB 3.35Å; H134-E138 PolarHBondContact O-N 3.41Å; V136-E138 PolarHBondContact O-N 3.13Å; E138-R140 PolarHBondContact O-N 3.39Å; E138-T141 PolarHBondContact O-N 3.5Å; E138-K142 VanDerWaalsContact O-CB 3.32Å; E138-K142 WeakPolarHBondContact O-CB 3.26Å; E138-K142 PolarHBondContact O-N 2.83Å; E138-Y430 WeakPolarHBondContact OE2-CE2 3.1Å; E138-Y430 PolarHBondContact OE2-OH 2.91Å; E138-K431 WeakPolarHBondContact OE2-CE 3.45Å; E138-K431 IonicContact OE2-NZ 3.76Å; E138-K431 PolarHBondContact OE2-NZ 3.05Å
139F96Very high90.5Very high6 Ų662 Ų623%0.02631%0.305CS..Hα-helixtrans-56.8-50.6173.5178.6-89.3000111.4E135 V136 T141 K142 M143 L627 D628 T632 L668 I669E135-F139 VanDerWaalsContact O-CB 3.23Å; E135-F139 WeakPolarHBondContact O-CB 3.41Å; E135-F139 PolarHBondContact O-N 2.69Å; V136-F139 PolarHBondContact O-N 3.25Å; F139-T141 VanDerWaalsContact C-N 3.32Å; F139-T141 PolarHBondContact O-N 2.87Å; F139-K142 PolarHBondContact O-N 3.29Å; F139-M143 HydrophobicContact CD1-CG 4.11Å; F139-M143 HydrophobicContact CD2-CG 3.91Å; F139-M143 HydrophobicContact CE1-CB 4.29Å; F139-M143 HydrophobicContact CE1-CG 3.76Å; F139-M143 HydrophobicContact CE2-CG 3.58Å; F139-M143 HydrophobicContact CE2-SD 4.29Å; F139-M143 HydrophobicContact CG-CG 4.18Å; F139-M143 HydrophobicContact CZ-CB 4.45Å; F139-M143 HydrophobicContact CZ-CG 3.52Å; F139-M143 HydrophobicContact CZ-SD 4.44Å; F139-M143 VanDerWaalsContact O-CB 3.27Å; F139-M143 WeakPolarHBondContact O-CB 3.32Å; F139-M143 WeakPolarHBondContact O-CG 3.24Å; F139-M143 PolarHBondContact O-N 2.76Å; F139-L627 HydrophobicContact CB-CB 4.14Å; F139-L627 HydrophobicContact CB-CD1 4.42Å; F139-L627 VanDerWaalsContact CD2-C 3.48Å; F139-L627 HydrophobicContact CD2-CB 3.68Å; F139-L627 HydrophobicContact CE2-CB 4.25Å; F139-L627 WeakPolarHBondContact CE2-O 3.41Å; F139-L627 HydrophobicContact CG-CB 3.93Å; F139-D628 HydrophobicContact CD2-CB 4.02Å; F139-T632 HydrophobicContact CE2-CG2 3.98Å; F139-T632 HydrophobicContact CZ-CG2 3.96Å; F139-L668 HydrophobicContact CD1-CB 3.83Å; F139-L668 HydrophobicContact CD1-CD1 4.2Å; F139-L668 HydrophobicContact CD1-CG 4.49Å; F139-L668 HydrophobicContact CE1-CB 3.55Å; F139-I669 HydrophobicContact CZ-CG1 4.1Å
140R93.8Very high91Very high33 Ų3359.1 Ų59.113%0.12529%0.291CS..Hα-helixtrans-58.5-45.2179.6-72.5178.678.5-141.30.4111.3E129 V136 E138 R144 L668 E671E129-R140 IonicContact OE1-CZ 3.58Å; E129-R140 IonicContact OE1-NH1 2.74Å; E129-R140 PolarHBondContact OE1-NH1 3.32Å; E129-R140 IonicContact OE1-NH2 3.7Å; E129-R140 PolarHBondContact OE1-NH2 2.87Å; V136-R140 HydrophobicContact CG1-CG 4.39Å; V136-R140 WeakPolarHBondContact O-CB 3.45Å; V136-R140 VanDerWaalsContact O-CG 3.25Å; V136-R140 WeakPolarHBondContact O-CG 3.3Å; V136-R140 PolarHBondContact O-N 3.42Å; E138-R140 PolarHBondContact O-N 3.39Å; R140-R144 WeakPolarHBondContact O-CB 3.34Å; R140-R144 PolarHBondContact O-N 2.91Å; R140-L668 HydrophobicContact CG-CD2 3.52Å; R140-E671 IonicContact CZ-OE1 3.43Å; R140-E671 IonicContact CZ-OE2 3.52Å; R140-E671 IonicContact NE-OE1 3.32Å; R140-E671 PolarHBondContact NE-OE1 2.81Å; R140-E671 IonicContact NE-OE2 2.84Å; R140-E671 PolarHBondContact NE-OE2 3.26Å; R140-E671 IonicContact NH2-OE1 2.7Å; R140-E671 PolarHBondContact NH2-OE1 3.35Å; R140-E671 IonicContact NH2-OE2 3.89Å
141T91.6Very high91.3Very high79 Ų7955.7 Ų55.749%0.48526%0.262SS..Hα-helixtrans-65.7-47.3-179-58.50000111.9D137 E138 F139 T145D137-T141 WeakPolarHBondContact O-CB 3.44Å; D137-T141 PolarHBondContact O-N 3.21Å; D137-T141 PolarHBondContact O-OG1 3.34Å; E138-T141 PolarHBondContact O-N 3.5Å; F139-T141 VanDerWaalsContact C-N 3.32Å; F139-T141 PolarHBondContact O-N 2.87Å; T141-T145 PolarHBondContact O-N 3.08Å; T141-T145 VanDerWaalsContact O-N 3.15Å; T141-T145 PolarHBondContact O-OG1 3.34Å
142K94.6Very high91.6Very high102 Ų10256.2 Ų56.244%0.44327%0.267SS..Hα-helixtrans-64.4-52.3179.8-173.5-170.2177.8-166.80111E138 F139 R144 T145 F146 D628E138-K142 VanDerWaalsContact O-CB 3.32Å; E138-K142 WeakPolarHBondContact O-CB 3.26Å; E138-K142 PolarHBondContact O-N 2.83Å; F139-K142 PolarHBondContact O-N 3.29Å; K142-R144 PolarHBondContact O-N 2.83Å; K142-T145 PolarHBondContact O-N 3.32Å; K142-F146 PolarHBondContact O-N 3.37Å; K142-D628 VanDerWaalsContact CD-OD2 3.25Å; K142-D628 WeakPolarHBondContact CD-OD2 3.49Å; K142-D628 WeakPolarHBondContact CE-OD2 3.43Å; K142-D628 IonicContact NZ-OD1 2.77Å; K142-D628 PolarHBondContact NZ-OD1 3.18Å; K142-D628 IonicContact NZ-OD2 3.1Å; K142-D628 PolarHBondContact NZ-OD2 3.03Å
143M95.3Very high91.9Very high3 Ų352.5 Ų52.52%0.01525%0.253CS..Hα-helixtrans-67.6-35.3-177.3-67.8-61.7114.200112.4F139 F146 C147 L636 A672F139-M143 HydrophobicContact CD1-CG 4.11Å; F139-M143 HydrophobicContact CD2-CG 3.91Å; F139-M143 HydrophobicContact CE1-CB 4.29Å; F139-M143 HydrophobicContact CE1-CG 3.76Å; F139-M143 HydrophobicContact CE2-CG 3.58Å; F139-M143 HydrophobicContact CE2-SD 4.29Å; F139-M143 HydrophobicContact CG-CG 4.18Å; F139-M143 HydrophobicContact CZ-CB 4.45Å; F139-M143 HydrophobicContact CZ-CG 3.52Å; F139-M143 HydrophobicContact CZ-SD 4.44Å; F139-M143 VanDerWaalsContact O-CB 3.27Å; F139-M143 WeakPolarHBondContact O-CB 3.32Å; F139-M143 WeakPolarHBondContact O-CG 3.24Å; F139-M143 PolarHBondContact O-N 2.76Å; M143-F146 PolarHBondContact O-N 3.22Å; M143-C147 VanDerWaalsContact O-CB 3.28Å; M143-C147 WeakPolarHBondContact O-CB 3.5Å; M143-C147 PolarHBondContact O-N 2.73Å; M143-C147 PolarHBondContact O-SG 3.46Å; M143-L636 HydrophobicContact SD-CD1 3.78Å; M143-A672 HydrophobicContact CB-CB 3.78Å
144R90.3Very high92Very high47 Ų4750.6 Ų50.618%0.17724%0.241CC..Hα-helixtrans-58.5-52.3171.3179171.8-174.4171.74.3110.8E110 R140 K142 F146 C147 E148 R300E110-R144 IonicContact OE1-CZ 3.5Å; E110-R144 IonicContact OE1-NH1 3.09Å; E110-R144 PolarHBondContact OE1-NH1 3.12Å; E110-R144 IonicContact OE1-NH2 3.72Å; E110-R144 PolarHBondContact OE1-NH2 3Å; R140-R144 WeakPolarHBondContact O-CB 3.34Å; R140-R144 PolarHBondContact O-N 2.91Å; K142-R144 PolarHBondContact O-N 2.83Å; R144-F146 VanDerWaalsContact C-N 3.35Å; R144-F146 PolarHBondContact O-N 3.24Å; R144-C147 PolarHBondContact O-N 3.36Å; R144-E148 HydrophobicContact CG-CG 4.19Å; R144-E148 VanDerWaalsContact CG-OE1 3.29Å; R144-E148 WeakPolarHBondContact CG-OE1 3.33Å; R144-E148 IonicContact CZ-OE1 2.6Å; R144-E148 IonicContact NE-OE1 3.69Å; R144-E148 PolarHBondContact NE-OE1 3.3Å; R144-E148 IonicContact NH2-OE1 2.92Å; R144-E148 WeakPolarHBondContact O-CB 3.36Å; R144-E148 WeakPolarHBondContact O-CG 3.38Å; R144-E148 PolarHBondContact O-N 3.46Å; R144-R300 VanDerWaalsContact NH1-NH1 3.18Å
145T90.6Very high91.7Very high34 Ų3445.4 Ų45.421%0.20922%0.217CC..Hα-helixtrans-56.7-50.4179.8-520000110.6T141 K142 C147 E148 E149 R304T141-T145 PolarHBondContact O-N 3.08Å; T141-T145 VanDerWaalsContact O-N 3.15Å; T141-T145 PolarHBondContact O-OG1 3.34Å; K142-T145 PolarHBondContact O-N 3.32Å; T145-C147 PolarHBondContact O-N 3.06Å; T145-E148 PolarHBondContact O-N 2.85Å; T145-E149 WeakPolarHBondContact O-CG 3.16Å; T145-E149 PolarHBondContact O-N 3.36Å; T145-R304 PolarHBondContact OG1-NH2 3.43Å
146F94Very high91.4Very high40 Ų4050.1 Ų50.118%0.17524%0.244CC..Hα-helixtrans-56-47177.3171.4-103.1000113.1K142 M143 R144 K150 T633 L636 E637 L640K142-F146 PolarHBondContact O-N 3.37Å; M143-F146 PolarHBondContact O-N 3.22Å; R144-F146 VanDerWaalsContact C-N 3.35Å; R144-F146 PolarHBondContact O-N 3.24Å; F146-K150 HydrophobicContact CE1-CG 4.46Å; F146-K150 HydrophobicContact CE2-CG 4.19Å; F146-K150 HydrophobicContact CZ-CG 4.13Å; F146-K150 WeakPolarHBondContact O-CG 3.35Å; F146-K150 PolarHBondContact O-N 2.91Å; F146-K150 VanDerWaalsContact O-N 3.08Å; F146-T633 HydrophobicContact CZ-CG2 4.3Å; F146-L636 HydrophobicContact CE1-CB 4.14Å; F146-E637 HydrophobicContact CZ-CB 3.98Å; F146-E637 HydrophobicContact CZ-CG 4.39Å; F146-L640 HydrophobicContact CE1-CD1 4.41Å
147C92.8Very high91.2Very high0 Ų053.1 Ų53.10%026%0.259CS..Hα-helixtrans-70.5-36.1-178.2-68.90000112.9M143 R144 T145 S151 L640 A672 G676M143-C147 VanDerWaalsContact O-CB 3.28Å; M143-C147 WeakPolarHBondContact O-CB 3.5Å; M143-C147 PolarHBondContact O-N 2.73Å; M143-C147 PolarHBondContact O-SG 3.46Å; R144-C147 PolarHBondContact O-N 3.36Å; T145-C147 PolarHBondContact O-N 3.06Å; C147-S151 WeakPolarHBondContact O-CB 3.44Å; C147-S151 PolarHBondContact O-N 3.15Å; C147-L640 HydrophobicContact CB-CD1 4.07Å; C147-A672 WeakPolarHBondContact CB-O 3.44Å; C147-A672 PolarHBondContact SG-O 3.4Å; C147-A672 VanDerWaalsContact SG-O 3.34Å; C147-G676 WeakPolarHBondContact O-CA 3.5Å
148E86.6Confident91.3Very high45 Ų4554.2 Ų54.221%0.2127%0.27CS..Hα-helixtrans-67.2-42.7176.3-67.8179.8169.600111R144 T145 S151 L152 Y297R144-E148 HydrophobicContact CG-CG 4.19Å; R144-E148 VanDerWaalsContact CG-OE1 3.29Å; R144-E148 WeakPolarHBondContact CG-OE1 3.33Å; R144-E148 IonicContact CZ-OE1 2.6Å; R144-E148 IonicContact NE-OE1 3.69Å; R144-E148 PolarHBondContact NE-OE1 3.3Å; R144-E148 IonicContact NH2-OE1 2.92Å; R144-E148 WeakPolarHBondContact O-CB 3.36Å; R144-E148 WeakPolarHBondContact O-CG 3.38Å; R144-E148 PolarHBondContact O-N 3.46Å; T145-E148 PolarHBondContact O-N 2.85Å; E148-S151 WeakPolarHBondContact O-CB 3.4Å; E148-S151 PolarHBondContact O-N 2.85Å; E148-L152 PolarHBondContact O-N 3.41Å; E148-Y297 HydrophobicContact CB-CD1 4.5Å; E148-Y297 HydrophobicContact CB-CE1 3.78Å; E148-Y297 HydrophobicContact CG-CD1 4.43Å; E148-Y297 HydrophobicContact CG-CE1 3.52Å
149E89.9Confident91.3Very high108 Ų10852 Ų5251%0.50526%0.258SS..Hα-helixtrans-58.7-49.7173.5-74.1172.217900111.6T145 S151 L152 E153T145-E149 WeakPolarHBondContact O-CG 3.16Å; T145-E149 PolarHBondContact O-N 3.36Å; E149-S151 VanDerWaalsContact C-N 3.26Å; E149-S151 PolarHBondContact O-N 3.23Å; E149-L152 PolarHBondContact O-N 3.33Å; E149-L152 VanDerWaalsContact O-N 3.11Å; E149-E153 WeakPolarHBondContact O-CG 3.49Å; E149-E153 PolarHBondContact O-N 3.18Å
150K91.3Very high91.2Very high46 Ų4656.1 Ų56.120%0.228%0.277CS..Hα-helixtrans-60.5-35.8176.1-71.7-72.9158.9-152.60112.8F146 E153 R154 L640F146-K150 HydrophobicContact CE1-CG 4.46Å; F146-K150 HydrophobicContact CE2-CG 4.19Å; F146-K150 HydrophobicContact CZ-CG 4.13Å; F146-K150 WeakPolarHBondContact O-CG 3.35Å; F146-K150 PolarHBondContact O-N 2.91Å; F146-K150 VanDerWaalsContact O-N 3.08Å; K150-E153 WeakPolarHBondContact CD-OE2 3.29Å; K150-E153 IonicContact NZ-OE1 2.71Å; K150-E153 IonicContact NZ-OE2 2.57Å; K150-E153 PolarHBondContact NZ-OE2 3.02Å; K150-R154 VanDerWaalsContact O-CB 3.32Å; K150-R154 WeakPolarHBondContact O-CB 3.45Å; K150-R154 PolarHBondContact O-N 2.93Å; K150-R154 VanDerWaalsContact O-N 3.11Å; K150-L640 HydrophobicContact CB-CB 4.44Å; K150-L640 HydrophobicContact CB-CD1 4.05Å; K150-L640 HydrophobicContact CG-CD1 4.44Å
151S88.8Confident91.2Very high0 Ų061.6 Ų61.60%030%0.297CS..Hα-helixtrans-64.3-43.5175.3-159.60000111.4C147 E148 E149 R154 Q155 G676C147-S151 WeakPolarHBondContact O-CB 3.44Å; C147-S151 PolarHBondContact O-N 3.15Å; E148-S151 WeakPolarHBondContact O-CB 3.4Å; E148-S151 PolarHBondContact O-N 2.85Å; E149-S151 VanDerWaalsContact C-N 3.26Å; E149-S151 PolarHBondContact O-N 3.23Å; S151-R154 PolarHBondContact O-N 3.11Å; S151-R154 PolarHBondContact OG-NH2 3.41Å; S151-Q155 WeakPolarHBondContact O-CG 3.36Å; S151-Q155 PolarHBondContact O-N 2.91Å; S151-Q155 VanDerWaalsContact O-N 3.16Å; S151-G676 WeakPolarHBondContact CB-O 3.29Å; S151-G676 PolarHBondContact OG-O 3.36Å; S151-G676 VanDerWaalsContact OG-O 3.09Å
152L86.4Confident91.4Very high94 Ų9457.8 Ų57.849%0.49227%0.274SS..Hα-helixtrans-68.3-45.2178.7-175.364.8000112.1E148 E149 R154 Q155 N156E148-L152 PolarHBondContact O-N 3.41Å; E149-L152 PolarHBondContact O-N 3.33Å; E149-L152 VanDerWaalsContact O-N 3.11Å; L152-R154 PolarHBondContact O-N 2.97Å; L152-Q155 PolarHBondContact O-N 3.18Å; L152-Q155 VanDerWaalsContact O-N 3.17Å; L152-N156 PolarHBondContact O-N 3.5Å; L152-N156 PolarHBondContact O-ND2 2.75Å
153E89.8Confident91.4Very high104 Ų10453.2 Ų53.249%0.48625%0.254SS..Hα-helixtrans-51.8-46.8173.2-74.6175.8-176.600110.7E149 K150 Q155 N156 L157E149-E153 WeakPolarHBondContact O-CG 3.49Å; E149-E153 PolarHBondContact O-N 3.18Å; K150-E153 WeakPolarHBondContact CD-OE2 3.29Å; K150-E153 IonicContact NZ-OE1 2.71Å; K150-E153 IonicContact NZ-OE2 2.57Å; K150-E153 PolarHBondContact NZ-OE2 3.02Å; E153-Q155 PolarHBondContact O-N 3.2Å; E153-N156 PolarHBondContact O-N 2.97Å; E153-L157 PolarHBondContact O-N 3.14Å
154R91.2Very high91.3Very high12 Ų1256.3 Ų56.35%0.04527%0.269CS..Hα-helixtrans-65-36-179.2-173.6172.866.6-124.6-9113.7K150 S151 L152 N156 L157 Y165 L640 G676K150-R154 VanDerWaalsContact O-CB 3.32Å; K150-R154 WeakPolarHBondContact O-CB 3.45Å; K150-R154 PolarHBondContact O-N 2.93Å; K150-R154 VanDerWaalsContact O-N 3.11Å; S151-R154 PolarHBondContact O-N 3.11Å; S151-R154 PolarHBondContact OG-NH2 3.41Å; L152-R154 PolarHBondContact O-N 2.97Å; R154-N156 VanDerWaalsContact C-N 3.27Å; R154-N156 PolarHBondContact O-N 2.95Å; R154-L157 HydrophobicContact CB-CD1 4.45Å; R154-L157 HydrophobicContact CG-CD1 4.14Å; R154-L157 WeakPolarHBondContact O-CB 3.41Å; R154-L157 WeakPolarHBondContact O-CG 3.48Å; R154-L157 PolarHBondContact O-N 3.43Å; R154-Y165 VanDerWaalsContact CD-CD1 3.48Å; R154-Y165 VanDerWaalsContact CD-CE1 3.43Å; R154-Y165 VanDerWaalsContact CD-CZ 3.44Å; R154-Y165 HydrophobicContact CG-CD1 4.18Å; R154-Y165 HydrophobicContact CG-CE1 4.45Å; R154-Y165 HydrophobicContact CG-CG 4.28Å; R154-L640 PolarHBondContact NH1-O 3.33Å; R154-G676 PolarHBondContact NH2-O 3.1Å
155Q85.8Confident91.5Very high30 Ų3054.4 Ų54.414%0.1426%0.262CS..Hα-helixtrans-69.2-27.9178.1-69.8-59.3-20.500112.6S151 L152 E153 L157 Q286S151-Q155 WeakPolarHBondContact O-CG 3.36Å; S151-Q155 PolarHBondContact O-N 2.91Å; S151-Q155 VanDerWaalsContact O-N 3.16Å; L152-Q155 PolarHBondContact O-N 3.18Å; L152-Q155 VanDerWaalsContact O-N 3.17Å; E153-Q155 PolarHBondContact O-N 3.2Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 3.01Å; Q155-Q286 PolarHBondContact O-NE2 2.85Å; Q155-Q286 PolarHBondContact OE1-O 3.48Å
156N88.8Confident91.6Very high125 Ų12553.1 Ų53.167%0.66825%0.254SS*.THydrogen-bonded Turntrans-84.5-0.1178.1-64.6-32.5000113.3L152 E153 R154L152-N156 PolarHBondContact O-N 3.5Å; L152-N156 PolarHBondContact O-ND2 2.75Å; E153-N156 PolarHBondContact O-N 2.97Å; R154-N156 VanDerWaalsContact C-N 3.27Å; R154-N156 PolarHBondContact O-N 2.95Å
157L92.2Very high91.6Very high63 Ų6352 Ų5233%0.3325%0.249SC..SBendtrans-68.8146.9177.7-69.8175.9000111.5E153 R154 Q155 R161 W162 Q286E153-L157 PolarHBondContact O-N 3.14Å; R154-L157 HydrophobicContact CB-CD1 4.45Å; R154-L157 HydrophobicContact CG-CD1 4.14Å; R154-L157 WeakPolarHBondContact O-CB 3.41Å; R154-L157 WeakPolarHBondContact O-CG 3.48Å; R154-L157 PolarHBondContact O-N 3.43Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 3.01Å; L157-R161 HydrophobicContact CB-CB 4.07Å; L157-R161 HydrophobicContact CD1-CB 4.19Å; L157-R161 HydrophobicContact CD2-CB 4.21Å; L157-R161 HydrophobicContact CG-CB 4.39Å; L157-W162 HydrophobicContact CB-CB 4.33Å; L157-Q286 PolarHBondContact O-NE2 2.76Å
158P94.2Very high91.7Very high81 Ų8153.2 Ų53.253%0.52626%0.257SS..  trans-56.7151.4164.9-21.732.6000111.3Q160 R161 W162P158-Q160 PolarHBondContact O-N 3.49Å; P158-R161 PolarHBondContact O-N 2.9Å; P158-W162 PolarHBondContact O-N 2.9Å
159W93.9Very high91.9Very high41 Ų4152.1 Ų52.116%0.15525%0.254CS..Hα-helixtrans-52.4-34.6-175.173.8-94.5000113.6M163 E237 H279 I282W159-M163 HydrophobicContact CZ3-CE 4.16Å; W159-M163 HydrophobicContact CZ3-SD 4.08Å; W159-M163 VanDerWaalsContact O-CB 3.24Å; W159-M163 WeakPolarHBondContact O-CB 3.26Å; W159-M163 PolarHBondContact O-N 2.86Å; W159-E237 WeakPolarHBondContact CZ2-O 3.36Å; W159-H279 HydrophobicContact CD2-CB 3.63Å; W159-H279 HydrophobicContact CE3-CB 4.05Å; W159-H279 HydrophobicContact CG-CB 4.12Å; W159-H279 HydrophobicContact CH2-CB 4.03Å; W159-H279 HydrophobicContact CZ2-CB 3.6Å; W159-H279 HydrophobicContact CZ3-CB 4.23Å; W159-I282 HydrophobicContact CE3-CB 4.22Å; W159-I282 HydrophobicContact CE3-CG1 4.39Å; W159-I282 HydrophobicContact CE3-CG2 4.13Å
160Q93.7Very high92Very high91 Ų9147.5 Ų47.543%0.42523%0.233SC..Hα-helixtrans-64.9-48.5178-65169.9-20.100111.9P158 W162 M163 E164P158-Q160 PolarHBondContact O-N 3.49Å; Q160-W162 VanDerWaalsContact C-N 3.35Å; Q160-M163 WeakPolarHBondContact O-CB 3.5Å; Q160-M163 PolarHBondContact O-N 2.67Å; Q160-E164 WeakPolarHBondContact O-CG 3.32Å; Q160-E164 PolarHBondContact O-N 3.12Å
161R94.2Very high92Very high148 Ų14846.3 Ų46.356%0.55823%0.229SC*.Hα-helixtrans-69.6-34.9178.7-67.7-56.7-163.9164.72.5111.8L157 P158 M163 E164 Y165L157-R161 HydrophobicContact CB-CB 4.07Å; L157-R161 HydrophobicContact CD1-CB 4.19Å; L157-R161 HydrophobicContact CD2-CB 4.21Å; L157-R161 HydrophobicContact CG-CB 4.39Å; P158-R161 PolarHBondContact O-N 2.9Å; R161-M163 VanDerWaalsContact C-N 3.34Å; R161-E164 WeakPolarHBondContact CD-OE2 3.41Å; R161-E164 IonicContact CZ-OE2 2.62Å; R161-E164 IonicContact NE-OE2 2.72Å; R161-E164 IonicContact NH1-OE1 3.65Å; R161-E164 IonicContact NH1-OE2 3.47Å; R161-E164 PolarHBondContact NH1-OE2 2.83Å; R161-E164 WeakPolarHBondContact O-CB 2.99Å; R161-E164 PolarHBondContact O-N 2.82Å; R161-Y165 PolarHBondContact O-N 2.89Å; R161-Y165 VanDerWaalsContact O-N 3.14Å
162W94.5Very high92Very high0 Ų047.5 Ų47.50%023%0.234CC..Hα-helixtrans-67.2-36.8172.9-176.296000112.2L157 P158 Q160 Y165 S166 F167 I282 Q286 Q289L157-W162 HydrophobicContact CB-CB 4.33Å; P158-W162 PolarHBondContact O-N 2.9Å; Q160-W162 VanDerWaalsContact C-N 3.35Å; W162-Y165 PolarHBondContact O-N 2.89Å; W162-S166 WeakPolarHBondContact O-CB 3.4Å; W162-S166 PolarHBondContact O-N 3.15Å; W162-S166 PolarHBondContact O-OG 3.25Å; W162-S166 VanDerWaalsContact O-OG 3.06Å; W162-F167 HydrophobicContact CZ3-CE2 4.23Å; W162-I282 HydrophobicContact CE3-CG2 3.91Å; W162-I282 HydrophobicContact CZ3-CG2 3.92Å; W162-Q286 HydrophobicContact CD2-CB 3.77Å; W162-Q286 HydrophobicContact CD2-CG 3.96Å; W162-Q286 HydrophobicContact CE3-CB 4.11Å; W162-Q286 HydrophobicContact CG-CB 4.18Å; W162-Q286 HydrophobicContact CG-CG 3.85Å; W162-Q286 HydrophobicContact CH2-CB 4.24Å; W162-Q286 VanDerWaalsContact CZ2-CA 3.42Å; W162-Q286 HydrophobicContact CZ2-CB 3.86Å; W162-Q286 HydrophobicContact CZ2-CG 4.43Å; W162-Q286 HydrophobicContact CZ3-CB 4.35Å; W162-Q289 HydrophobicContact CZ2-CG 4.13Å; W162-Q289 VanDerWaalsContact CZ2-NE2 3.29Å
163M94.3Very high91.9Very high5 Ų545.1 Ų45.13%0.02522%0.224CC..Hα-helixtrans-65.4-43.9173.1-174.6-174.764.500111.2W159 Q160 R161 Y165 S166 F167 T240 F249 Y251 I282W159-M163 HydrophobicContact CZ3-CE 4.16Å; W159-M163 HydrophobicContact CZ3-SD 4.08Å; W159-M163 VanDerWaalsContact O-CB 3.24Å; W159-M163 WeakPolarHBondContact O-CB 3.26Å; W159-M163 PolarHBondContact O-N 2.86Å; Q160-M163 WeakPolarHBondContact O-CB 3.5Å; Q160-M163 PolarHBondContact O-N 2.67Å; R161-M163 VanDerWaalsContact C-N 3.34Å; M163-Y165 VanDerWaalsContact C-N 3.3Å; M163-Y165 PolarHBondContact O-N 3.49Å; M163-S166 PolarHBondContact O-N 2.83Å; M163-S166 VanDerWaalsContact O-N 3.11Å; M163-F167 HydrophobicContact CG-CD2 3.97Å; M163-F167 WeakPolarHBondContact O-CA 3.25Å; M163-F167 PolarHBondContact O-N 2.84Å; M163-T240 HydrophobicContact SD-CG2 3.84Å; M163-F249 HydrophobicContact SD-CD1 4.4Å; M163-Y251 HydrophobicContact CE-CD1 3.52Å; M163-Y251 HydrophobicContact CE-CD2 3.83Å; M163-Y251 HydrophobicContact CE-CE1 3.95Å; M163-Y251 HydrophobicContact CE-CE2 4.26Å; M163-Y251 HydrophobicContact CE-CG 3.46Å; M163-Y251 VanDerWaalsContact CE-CG 3.46Å; M163-Y251 HydrophobicContact SD-CD1 4.26Å; M163-I282 HydrophobicContact CB-CG2 4.11Å; M163-I282 HydrophobicContact CG-CG2 4.48Å
164E94.1Very high91.1Very high68 Ų6841.5 Ų41.532%0.31821%0.21SC..Hα-helixtrans-53.4-46.4173.9-80.1168.9-162.700112Q160 R161 P168 Y251Q160-E164 WeakPolarHBondContact O-CG 3.32Å; Q160-E164 PolarHBondContact O-N 3.12Å; R161-E164 WeakPolarHBondContact CD-OE2 3.41Å; R161-E164 IonicContact CZ-OE2 2.62Å; R161-E164 IonicContact NE-OE2 2.72Å; R161-E164 IonicContact NH1-OE1 3.65Å; R161-E164 IonicContact NH1-OE2 3.47Å; R161-E164 PolarHBondContact NH1-OE2 2.83Å; R161-E164 WeakPolarHBondContact O-CB 2.99Å; R161-E164 PolarHBondContact O-N 2.82Å; E164-P168 WeakPolarHBondContact O-CA 3.11Å; E164-Y251 WeakPolarHBondContact CA-OH 3.15Å; E164-Y251 HydrophobicContact CG-CD2 4.45Å; E164-Y251 HydrophobicContact CG-CE2 3.58Å
165Y93.7Very high89.9Confident8 Ų843.6 Ų43.63%0.03123%0.226CC..Hα-helixtrans-61.5-48.1173.9154.3-96.7000112.6R154 R161 W162 M163 L640 S641 R643 N677R154-Y165 VanDerWaalsContact CD-CD1 3.48Å; R154-Y165 VanDerWaalsContact CD-CE1 3.43Å; R154-Y165 VanDerWaalsContact CD-CZ 3.44Å; R154-Y165 HydrophobicContact CG-CD1 4.18Å; R154-Y165 HydrophobicContact CG-CE1 4.45Å; R154-Y165 HydrophobicContact CG-CG 4.28Å; R161-Y165 PolarHBondContact O-N 2.89Å; R161-Y165 VanDerWaalsContact O-N 3.14Å; W162-Y165 PolarHBondContact O-N 2.89Å; M163-Y165 VanDerWaalsContact C-N 3.3Å; M163-Y165 PolarHBondContact O-N 3.49Å; Y165-L640 WeakPolarHBondContact CD2-O 3.3Å; Y165-L640 WeakPolarHBondContact CE2-O 3.49Å; Y165-S641 WeakPolarHBondContact CD2-O 3.4Å; Y165-R643 HydrophobicContact CE1-CB 4.47Å; Y165-R643 HydrophobicContact CE2-CB 4.12Å; Y165-R643 VanDerWaalsContact O-CB 3.25Å; Y165-R643 WeakPolarHBondContact O-CB 3.36Å; Y165-R643 PolarHBondContact O-N 2.83Å; Y165-N677 VanDerWaalsContact OH-CG 3.26Å; Y165-N677 PolarHBondContact OH-ND2 3.25Å; Y165-N677 PolarHBondContact OH-OD1 3.26Å
166S93.1Very high88.7Confident7 Ų745.4 Ų45.45%0.04924%0.242CC..Hα-helixtrans-76.3-34.5-169.7-68.10000112.9W162 M163W162-S166 WeakPolarHBondContact O-CB 3.4Å; W162-S166 PolarHBondContact O-N 3.15Å; W162-S166 PolarHBondContact O-OG 3.25Å; W162-S166 VanDerWaalsContact O-OG 3.06Å; M163-S166 PolarHBondContact O-N 2.83Å; M163-S166 VanDerWaalsContact O-N 3.11Å
167F94.4Very high87.3Confident15 Ų1540.6 Ų40.67%0.06622%0.218CC..SBendtrans-137.363.4-171.9-49.4-73.3000110.2W162 M163 W247 F249 Y251W162-F167 HydrophobicContact CZ3-CE2 4.23Å; M163-F167 HydrophobicContact CG-CD2 3.97Å; M163-F167 WeakPolarHBondContact O-CA 3.25Å; M163-F167 PolarHBondContact O-N 2.84Å; F167-W247 HydrophobicContact CD1-CB 4.35Å; F167-W247 HydrophobicContact CE1-CB 4.13Å; F167-W247 HydrophobicContact CE1-CD2 4.11Å; F167-W247 AromaticContact CE1-CE3 3.74Å; F167-W247 HydrophobicContact CE1-CE3 3.74Å; F167-W247 HydrophobicContact CE1-CG 4.33Å; F167-W247 HydrophobicContact CE1-CZ3 4.46Å; F167-W247 HydrophobicContact CZ-CE3 4.45Å; F167-F249 HydrophobicContact CB-CD2 3.63Å; F167-F249 HydrophobicContact CB-CE2 4.28Å; F167-F249 HydrophobicContact CB-CG 4.42Å; F167-F249 AromaticContact CD1-CD2 3.91Å; F167-F249 HydrophobicContact CD1-CD2 3.91Å; F167-F249 AromaticContact CD1-CE2 3.77Å; F167-F249 HydrophobicContact CD1-CE2 3.77Å; F167-F249 AromaticContact CD2-CD2 3.92Å; F167-F249 HydrophobicContact CD2-CD2 3.92Å; F167-F249 AromaticContact CD2-CE2 3.78Å; F167-F249 HydrophobicContact CD2-CE2 3.78Å; F167-F249 AromaticContact CE1-CE2 3.95Å; F167-F249 HydrophobicContact CE1-CE2 3.95Å; F167-F249 AromaticContact CE2-CE2 3.96Å; F167-F249 HydrophobicContact CE2-CE2 3.96Å; F167-F249 AromaticContact CG-CD2 3.55Å; F167-F249 HydrophobicContact CG-CD2 3.55Å; F167-F249 AromaticContact CG-CE2 3.67Å; F167-F249 HydrophobicContact CG-CE2 3.67Å; F167-F249 HydrophobicContact CZ-CE2 4.05Å; F167-Y251 WeakPolarHBondContact O-CE1 3.45Å; F167-Y251 PolarHBondContact O-OH 3.04Å
168P94.3Very high85.6Confident26 Ų2639.7 Ų39.717%0.16922%0.22CC..  trans-59.8140.8-179.627.3-36.8000111.2E164 Y251 N642 R644E164-P168 WeakPolarHBondContact O-CA 3.11Å; P168-Y251 WeakPolarHBondContact CA-OH 3.28Å; P168-N642 WeakPolarHBondContact CB-ND2 3.24Å; P168-N642 WeakPolarHBondContact CG-OD1 3.32Å; P168-R644 HydrophobicContact CG-CB 3.67Å
169C92.3Very high83.5Confident23 Ų2340.1 Ų40.116%0.15522%0.221CC..  trans-58.8141.9-178.3-68.40000112.6L171 Y251 F259C169-L171 HydrophobicContact CB-CD2 4.17Å; C169-L171 HydrophobicContact CB-CG 4.1Å; C169-Y251 PolarHBondContact N-OH 3.5Å; C169-Y251 VanDerWaalsContact SG-CE2 3.52Å; C169-F259 HydrophobicContact CB-CE1 4.25Å
170E90.8Very high80.8Confident11 Ų1140.4 Ų40.45%0.05124%0.236CC..  trans-101.1106.4170.4-53.5-147.5-152.500110F259 K260 R644 S736E170-F259 WeakPolarHBondContact O-CA 3.42Å; E170-K260 HydrophobicContact CB-CB 4.26Å; E170-K260 HydrophobicContact CB-CD 4.11Å; E170-K260 HydrophobicContact CB-CG 4.2Å; E170-K260 PolarHBondContact O-N 2.83Å; E170-R644 VanDerWaalsContact CD-CZ 3.5Å; E170-R644 VanDerWaalsContact CD-NH2 3.35Å; E170-R644 IonicContact OE1-CZ 2.8Å; E170-R644 IonicContact OE1-NH1 2.67Å; E170-R644 IonicContact OE1-NH2 3.49Å; E170-R644 PolarHBondContact OE1-NH2 2.67Å; E170-R644 IonicContact OE2-CZ 3.65Å; E170-R644 IonicContact OE2-NH1 3.38Å; E170-R644 PolarHBondContact OE2-NH1 2.93Å; E170-R644 IonicContact OE2-NH2 3.62Å; E170-R644 PolarHBondContact OE2-NH2 3.14Å; E170-S736 PolarHBondContact OE1-OG 3.1Å; E170-S736 VanDerWaalsContact OE1-OG 3.12Å
171L91.2Very high78.1Confident21 Ų2138.9 Ų38.911%0.1125%0.246CC..BIsolated β-bridgetrans-112.2145-173.7-58.2177.3000112.6C169 H254 Q258 F259 K260C169-L171 HydrophobicContact CB-CD2 4.17Å; C169-L171 HydrophobicContact CB-CG 4.1Å; L171-H254 VanDerWaalsContact CD1-CE1 3.48Å; L171-H254 WeakPolarHBondContact CD1-CE1 3.46Å; L171-H254 HydrophobicContact CD2-CB 4.1Å; L171-Q258 CarbonylContact C-O 3.43Å; L171-Q258 WeakPolarHBondContact CA-O 3.33Å; L171-Q258 HydrophobicContact CB-CG 4.28Å; L171-Q258 HydrophobicContact CD2-CG 4.32Å; L171-F259 HydrophobicContact CD2-CD1 3.86Å; L171-F259 HydrophobicContact CD2-CE1 3.98Å; L171-F259 HydrophobicContact CD2-CG 4.16Å; L171-F259 HydrophobicContact CD2-CZ 4.38Å; L171-K260 WeakPolarHBondContact O-CE 3.34Å
172E88.9Confident75.1Confident25 Ų2537.9 Ų37.912%0.11726%0.261CS..  trans-77.5147.7166.6-75.2-67.7151.400110.6C174 Q258 K260 F263 K799E172-C174 PolarHBondContact O-N 3.16Å; E172-C174 VanDerWaalsContact O-N 3.14Å; E172-Q258 PolarHBondContact N-O 3.47Å; E172-Q258 WeakPolarHBondContact O-CG 3.4Å; E172-Q258 PolarHBondContact O-NE2 2.86Å; E172-K260 HydrophobicContact CG-CG 4.01Å; E172-F263 HydrophobicContact CB-CD2 4.34Å; E172-F263 HydrophobicContact CG-CB 3.83Å; E172-F263 HydrophobicContact CG-CD1 3.94Å; E172-F263 HydrophobicContact CG-CD2 3.94Å; E172-F263 HydrophobicContact CG-CE1 4.48Å; E172-F263 HydrophobicContact CG-CE2 4.46Å; E172-F263 HydrophobicContact CG-CG 3.65Å; E172-K799 IonicContact OE1-NZ 3.76Å; E172-K799 IonicContact OE2-NZ 3.63Å; E172-K799 PolarHBondContact OE2-NZ 3.18Å
173P83.7Confident72.2Confident44 Ų4441.8 Ų41.829%0.28629%0.288SS..SBendtrans-61.8-19.4176.3-21.632.4000114.1N796 K800P173-N796 HydrophobicContact CG-CB 4.04Å; P173-N796 WeakPolarHBondContact CG-OD1 3.19Å; P173-K800 HydrophobicContact CB-CG 4.05Å
174C74.8Confident69.3Low27 Ų2752 Ų5218%0.18233%0.333CS..SBendtrans-123.5148-17961.30000111.8E172E172-C174 PolarHBondContact O-N 3.16Å; E172-C174 VanDerWaalsContact O-N 3.14Å
175S64.3Low66.5Low56 Ų5652.2 Ų52.239%0.39234%0.342SS..SBendtrans-91.18.3-18055.40000113.8Q211 C257S175-Q211 PolarHBondContact O-NE2 3.23Å; S175-Q211 VanDerWaalsContact O-NE2 3.11Å; S175-C257 PolarHBondContact O-SG 3.35Å
176S62Low63.7Low68 Ų6862 Ų6248%0.47638%0.384SS..SBendtrans-152135.817464.40000111.9A178S176-A178 PolarHBondContact O-N 3.45Å
177P59.5Low61.2Low24 Ų2469.2 Ų69.216%0.15642%0.417CS..  trans-66.4129.8170.9-13.225.3000109.8T179 F263 M266P177-T179 PolarHBondContact O-N 3Å; P177-T179 VanDerWaalsContact O-N 3.14Å; P177-F263 HydrophobicContact CB-CE2 3.86Å; P177-F263 HydrophobicContact CB-CZ 3.88Å; P177-F263 HydrophobicContact CG-CD2 3.97Å; P177-F263 HydrophobicContact CG-CE2 3.65Å; P177-F263 HydrophobicContact CG-CZ 4.13Å; P177-M266 HydrophobicContact CG-CE 4.39Å
178A55Low59.4Low44 Ų4470.1 Ų70.136%0.36443%0.431SS..  trans-56.2121.1173.400000109.8S176 G180 D804S176-A178 PolarHBondContact O-N 3.45Å; A178-G180 PolarHBondContact O-N 3.13Å; A178-D804 HydrophobicContact CB-CB 4.29Å
179T49.9Very low58.2Low90 Ų9075.1 Ų75.155%0.55245%0.45SS*.  trans-72.7115.4174.149.40000108.6P177P177-T179 PolarHBondContact O-N 3Å; P177-T179 VanDerWaalsContact O-N 3.14Å
180G38.3Very low57.8Low47 Ų4780.7 Ų80.749%0.48547%0.471SS..  trans-51.5147.3160.700000109.7A178A178-G180 PolarHBondContact O-N 3.13Å
181G37.9Very low57.7Low60 Ų6080.7 Ų80.762%0.61947%0.471SS*.SBendtrans-43.4145.6-169.900000115.3
182S30.9Very low57.8Low127 Ų12783.9 Ų83.989%0.88849%0.485SS*.SBendtrans70.960.5177.388.30000118.2
183S32.7Very low58.1Low81 Ų8182.7 Ų82.757%0.56648%0.479SS*.  trans-158.4103.5135-169.20000110.7S185S183-S185 PolarHBondContact O-N 2.94Å
184K32.7Very low58.7Low221 Ų22181.9 Ų81.996%0.96147%0.473SS*.  trans-71.373.8161.9-73.8-179.6176.9175.60108.3
185S35.2Very low59.6Low72 Ų7280.6 Ų80.650%0.50346%0.464SS..  trans-98.898.7161.8174.80000108.2S183 H187S183-S185 PolarHBondContact O-N 2.94Å; S185-H187 PolarHBondContact O-N 3.46Å; S185-H187 PolarHBondContact OG-N 2.74Å; S185-H187 PolarHBondContact OG-O 3.07Å
186K36.2Very low61Low213 Ų21381 Ų8193%0.92646%0.459SS*.  trans-718.2166.7-81.5-174.1173.1-175.50112.9
187H41.4Very low62.4Low159 Ų15978 Ų7874%0.73644%0.437SS*.SBendtrans-96.4127.8170.9-68.4-62.7000109.7S185 K189S185-H187 PolarHBondContact O-N 3.46Å; S185-H187 PolarHBondContact OG-N 2.74Å; S185-H187 PolarHBondContact OG-O 3.07Å; H187-K189 PolarHBondContact O-N 3.15Å
188G54.9Low63.6Low34 Ų3480.4 Ų80.435%0.35145%0.446SS..  trans-46.5131.4178.300000111.3K190G188-K190 PolarHBondContact O-N 3.42Å; G188-K190 VanDerWaalsContact O-N 3.07Å
189K69.1Low64.7Low130 Ų13084.5 Ų84.557%0.56547%0.472SS*.  trans-65.2114.7178-81.4-175.8177.1179.70107.6H187 L191 S210 M266H187-K189 PolarHBondContact O-N 3.15Å; K189-L191 PolarHBondContact O-N 3.43Å; K189-S210 WeakPolarHBondContact O-CB 3.4Å; K189-S210 PolarHBondContact O-N 3.28Å; K189-S210 PolarHBondContact O-OG 2.94Å; K189-M266 HydrophobicContact CB-CE 4.45Å
190K84.1Confident66.2Low140 Ų14081.8 Ų81.861%0.60946%0.457SS*.EExtended strand (participates in β ladder)trans-61.2122172.4-71.1176.6161.6-152.30109.2G188 Q207 Q208G188-K190 PolarHBondContact O-N 3.42Å; G188-K190 VanDerWaalsContact O-N 3.07Å; K190-Q207 HydrophobicContact CB-CG 4.22Å; K190-Q207 HydrophobicContact CD-CG 4.41Å; K190-Q207 HydrophobicContact CG-CG 4.42Å; K190-Q208 CarbonylContact C-O 3.49Å; K190-Q208 WeakPolarHBondContact CA-O 3.3Å
191L89.3Confident68Low11 Ų1186.7 Ų86.76%0.05847%0.472CS..EExtended strand (participates in β ladder)trans-100134.1178.6-179.265.7000109.3K189 V193 Q207 Q208 I262 M266 P272K189-L191 PolarHBondContact O-N 3.43Å; L191-V193 HydrophobicContact CD2-CG2 3.61Å; L191-V193 HydrophobicContact CG-CG2 3.71Å; L191-Q207 CarbonylContact O-C 3.57Å; L191-Q207 WeakPolarHBondContact O-CA 3.25Å; L191-Q208 PolarHBondContact N-O 3.44Å; L191-Q208 PolarHBondContact O-N 3.44Å; L191-I262 HydrophobicContact CD2-CG2 3.73Å; L191-M266 HydrophobicContact CD1-CG 3.74Å; L191-M266 HydrophobicContact CD1-SD 4.48Å; L191-P272 HydrophobicContact CD1-CG 3.99Å; L191-P272 HydrophobicContact CD2-CG 4.27Å; L191-P272 HydrophobicContact CG-CG 4.41Å
192F93.9Very high70.2Confident88 Ų8888.2 Ų88.239%0.38646%0.463SS..EExtended strand (participates in β ladder)trans-101.8112.1170.6-67.5-87.9000109.2M205 L206 Q207 N271 P272F192-M205 HydrophobicContact CB-CG 4.23Å; F192-M205 HydrophobicContact CB-SD 4.36Å; F192-M205 HydrophobicContact CD1-CG 4.34Å; F192-L206 CarbonylContact C-O 3.52Å; F192-L206 WeakPolarHBondContact CA-O 3.46Å; F192-Q207 HydrophobicContact CD1-CB 4.2Å; F192-Q207 HydrophobicContact CE1-CB 4.01Å; F192-Q207 HydrophobicContact CE1-CG 4.38Å; F192-N271 WeakPolarHBondContact O-CB 3.47Å; F192-N271 PolarHBondContact O-OD1 2.88Å; F192-P272 WeakPolarHBondContact O-CD 3.44Å
193V95.4Very high73Confident1 Ų185.1 Ų85.11%0.00644%0.441CS..EExtended strand (participates in β ladder)trans-107.7128.6-178.4-174.20000108.6L191 I195 M205 L206 L217 P272 L274L191-V193 HydrophobicContact CD2-CG2 3.61Å; L191-V193 HydrophobicContact CG-CG2 3.71Å; V193-I195 HydrophobicContact CG1-CD1 4.39Å; V193-I195 HydrophobicContact CG1-CG1 3.92Å; V193-M205 WeakPolarHBondContact O-CA 3.48Å; V193-L206 PolarHBondContact N-O 2.82Å; V193-L206 PolarHBondContact O-N 2.62Å; V193-L217 HydrophobicContact CB-CD1 4.15Å; V193-L217 HydrophobicContact CB-CD2 4.47Å; V193-L217 HydrophobicContact CG1-CD1 4.35Å; V193-L217 HydrophobicContact CG1-CD2 4.03Å; V193-L217 HydrophobicContact CG2-CD1 4.31Å; V193-L217 HydrophobicContact CG2-CD2 4.28Å; V193-P272 HydrophobicContact CG1-CB 4.19Å; V193-P272 HydrophobicContact CG2-CG 4.49Å; V193-L274 HydrophobicContact CG1-CD1 3.71Å; V193-L274 HydrophobicContact CG1-CG 4.03Å
194N94.8Very high75.9Confident27 Ų2782.1 Ų82.114%0.14442%0.418CS..EExtended strand (participates in β ladder)trans-87.2124.4168.7-168.818.3000110.1S203 F204 P272 Q273 L274N194-S203 VanDerWaalsContact OD1-CB 3.23Å; N194-S203 WeakPolarHBondContact OD1-CB 3.39Å; N194-S203 PolarHBondContact OD1-OG 3.31Å; N194-F204 CarbonylContact C-O 2.99Å; N194-F204 WeakPolarHBondContact CA-O 2.84Å; N194-F204 PolarHBondContact OD1-O 3.03Å; N194-P272 PolarHBondContact N-O 2.84Å; N194-Q273 VanDerWaalsContact CB-OE1 3.25Å; N194-Q273 PolarHBondContact ND2-OE1 3.48Å; N194-L274 PolarHBondContact O-N 3.26Å
195I95.1Very high78.8Confident0 Ų077 Ų770%040%0.399CS..EExtended strand (participates in β ladder)trans-118.5119.4-179.8-65.1-158.7000110.9V193 F197 S203 F204 L206 L217 A221 L241 L274 M276V193-I195 HydrophobicContact CG1-CD1 4.39Å; V193-I195 HydrophobicContact CG1-CG1 3.92Å; I195-F197 HydrophobicContact CG2-CE2 4.46Å; I195-S203 CarbonylContact O-C 3.54Å; I195-S203 VanDerWaalsContact O-CA 3.29Å; I195-S203 WeakPolarHBondContact O-CA 3.46Å; I195-F204 PolarHBondContact N-O 3.21Å; I195-F204 PolarHBondContact O-N 3.45Å; I195-L206 HydrophobicContact CB-CD1 4.41Å; I195-L206 HydrophobicContact CD1-CD1 3.95Å; I195-L206 HydrophobicContact CG1-CD1 4.22Å; I195-L217 HydrophobicContact CD1-CD1 3.51Å; I195-L217 HydrophobicContact CD1-CD2 4Å; I195-L217 HydrophobicContact CD1-CG 3.56Å; I195-L217 HydrophobicContact CG1-CD1 4.41Å; I195-A221 HydrophobicContact CD1-CB 4.01Å; I195-A221 HydrophobicContact CG2-CB 4.05Å; I195-L241 HydrophobicContact CD1-CD2 4.03Å; I195-L274 CarbonylContact C-O 3.08Å; I195-L274 WeakPolarHBondContact CA-O 3.26Å; I195-M276 HydrophobicContact CG2-CB 4.38Å; I195-M276 HydrophobicContact CG2-CG 3.4Å; I195-M276 VanDerWaalsContact CG2-CG 3.4Å
196K93.4Very high81.7Confident65 Ų6574.4 Ų74.428%0.28338%0.379SS..EExtended strand (participates in β ladder)trans-92.4154.8166.3-171.4173.5-175.1172.10110S200 D201 L274 T275 M276K196-S200 WeakPolarHBondContact CE-O 3.39Å; K196-S200 WeakPolarHBondContact CG-O 3.26Å; K196-D201 IonicContact NZ-OD1 2.88Å; K196-D201 PolarHBondContact NZ-OD1 2.66Å; K196-L274 PolarHBondContact N-O 2.8Å; K196-T275 CarbonylContact O-C 3.58Å; K196-T275 WeakPolarHBondContact O-CA 3.33Å; K196-M276 PolarHBondContact O-N 3.24Å
197F91.1Very high84.5Confident4 Ų468.5 Ų68.52%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-104.7142.9167.8-77.2-94.1000110.5I195 S199 S200 F204 A221 L222 K225 M276I195-F197 HydrophobicContact CG2-CE2 4.46Å; F197-S199 PolarHBondContact O-N 3.43Å; F197-S200 PolarHBondContact O-N 3.37Å; F197-S200 VanDerWaalsContact O-N 3.09Å; F197-S200 VanDerWaalsContact O-O 3.1Å; F197-F204 HydrophobicContact CD2-CD2 4.06Å; F197-F204 AromaticContact CD2-CE2 3.79Å; F197-F204 HydrophobicContact CD2-CE2 3.79Å; F197-F204 AromaticContact CE2-CD2 3.73Å; F197-F204 HydrophobicContact CE2-CD2 3.73Å; F197-F204 AromaticContact CE2-CE2 3.66Å; F197-F204 HydrophobicContact CE2-CE2 3.66Å; F197-A221 HydrophobicContact CE2-CB 4.49Å; F197-A221 HydrophobicContact CZ-CB 4.06Å; F197-L222 HydrophobicContact CE1-CD2 3.95Å; F197-L222 HydrophobicContact CZ-CD2 4.38Å; F197-K225 HydrophobicContact CD1-CD 3.66Å; F197-K225 HydrophobicContact CD2-CD 4.11Å; F197-K225 HydrophobicContact CE1-CB 4.42Å; F197-K225 HydrophobicContact CE1-CD 3.38Å; F197-K225 HydrophobicContact CE1-CG 4.46Å; F197-K225 HydrophobicContact CE2-CB 3.89Å; F197-K225 HydrophobicContact CE2-CD 3.9Å; F197-K225 HydrophobicContact CE2-CG 4.25Å; F197-K225 HydrophobicContact CG-CD 4Å; F197-K225 HydrophobicContact CZ-CB 3.71Å; F197-K225 HydrophobicContact CZ-CD 3.53Å; F197-K225 HydrophobicContact CZ-CG 4.15Å; F197-M276 HydrophobicContact CD1-CB 3.68Å; F197-M276 HydrophobicContact CD1-CE 4.18Å; F197-M276 HydrophobicContact CD1-CG 4.15Å; F197-M276 HydrophobicContact CE1-CB 3.87Å; F197-M276 HydrophobicContact CE1-CE 3.29Å; F197-M276 HydrophobicContact CE1-CG 3.87Å; F197-M276 HydrophobicContact CE1-SD 4.37Å; F197-M276 HydrophobicContact CG-CB 4.23Å; F197-M276 HydrophobicContact CZ-CE 3.81Å; F197-M276 HydrophobicContact CZ-CG 4.09Å
198E85Confident86.9Confident74 Ų7461.9 Ų61.935%0.34632%0.324SS..THydrogen-bonded Turntrans-51.5133.8174-172.1173.9-158.700111.4S200 M276 H278 T281E198-S200 PolarHBondContact O-N 3.05Å; E198-M276 PolarHBondContact N-O 2.97Å; E198-M276 VanDerWaalsContact N-O 3.1Å; E198-H278 PolarHBondContact OE2-N 2.87Å; E198-T281 VanDerWaalsContact CD-OG1 3.23Å; E198-T281 WeakPolarHBondContact OE1-CB 3.24Å; E198-T281 VanDerWaalsContact OE1-CG2 3.26Å; E198-T281 WeakPolarHBondContact OE1-CG2 3.38Å; E198-T281 PolarHBondContact OE1-OG1 3.38Å; E198-T281 PolarHBondContact OE2-OG1 2.85Å; E198-T281 VanDerWaalsContact OE2-OG1 3.06Å
199S78.3Confident88.7Confident131 Ų13162.8 Ų62.892%0.91632%0.321SS*.THydrogen-bonded Turntrans62.117.4-177.8-48.70000116.3F197F197-S199 PolarHBondContact O-N 3.43Å
200S80.4Confident89.7Confident33 Ų3357 Ų5723%0.23130%0.297CS..  trans-128.6131.2174.8163.90000110K196 F197 E198 E202K196-S200 WeakPolarHBondContact CE-O 3.39Å; K196-S200 WeakPolarHBondContact CG-O 3.26Å; F197-S200 PolarHBondContact O-N 3.37Å; F197-S200 VanDerWaalsContact O-N 3.09Å; F197-S200 VanDerWaalsContact O-O 3.1Å; E198-S200 PolarHBondContact O-N 3.05Å; S200-E202 VanDerWaalsContact C-N 3.27Å; S200-E202 PolarHBondContact O-N 2.78Å; S200-E202 PolarHBondContact OG-N 2.9Å
201D77.3Confident90Very high149 Ų14954.6 Ų54.680%0.79729%0.288SS*.  trans-78.3-10.1175.7-72.7-35.1000114.4K196K196-D201 IonicContact NZ-OD1 2.88Å; K196-D201 PolarHBondContact NZ-OD1 2.66Å
202E83.3Confident90.2Very high92 Ų9256.5 Ų56.543%0.4330%0.298SS..  trans-72138.4173.9-66.4-168-158.800112.9S200 F229S200-E202 VanDerWaalsContact C-N 3.27Å; S200-E202 PolarHBondContact O-N 2.78Å; S200-E202 PolarHBondContact OG-N 2.9Å; E202-F229 HydrophobicContact CB-CZ 4.24Å; E202-F229 HydrophobicContact CG-CZ 4.19Å; E202-F229 WeakPolarHBondContact OE1-CE1 3.19Å; E202-F229 WeakPolarHBondContact OE2-CE1 3.45Å; E202-F229 WeakPolarHBondContact OE2-CZ 3.25Å
203S89.9Confident90.3Very high63 Ų6355 Ų5544%0.44129%0.294SS..EExtended strand (participates in β ladder)trans-128.9142.7175.772.10000112N194 I195N194-S203 VanDerWaalsContact OD1-CB 3.23Å; N194-S203 WeakPolarHBondContact OD1-CB 3.39Å; N194-S203 PolarHBondContact OD1-OG 3.31Å; I195-S203 CarbonylContact O-C 3.54Å; I195-S203 VanDerWaalsContact O-CA 3.29Å; I195-S203 WeakPolarHBondContact O-CA 3.46Å
204F92.4Very high90.3Very high17 Ų1755 Ų558%0.07529%0.294CS..EExtended strand (participates in β ladder)trans-114.5127.9-178.7-56.1-73.4000111.3N194 I195 F197 L206 K224 V228 F229N194-F204 CarbonylContact C-O 2.99Å; N194-F204 WeakPolarHBondContact CA-O 2.84Å; N194-F204 PolarHBondContact OD1-O 3.03Å; I195-F204 PolarHBondContact N-O 3.21Å; I195-F204 PolarHBondContact O-N 3.45Å; F197-F204 HydrophobicContact CD2-CD2 4.06Å; F197-F204 AromaticContact CD2-CE2 3.79Å; F197-F204 HydrophobicContact CD2-CE2 3.79Å; F197-F204 AromaticContact CE2-CD2 3.73Å; F197-F204 HydrophobicContact CE2-CD2 3.73Å; F197-F204 AromaticContact CE2-CE2 3.66Å; F197-F204 HydrophobicContact CE2-CE2 3.66Å; F204-L206 HydrophobicContact CB-CD2 4.21Å; F204-L206 HydrophobicContact CB-CG 4.34Å; F204-K224 HydrophobicContact CB-CG 4.34Å; F204-K224 HydrophobicContact CD1-CG 3.73Å; F204-K224 HydrophobicContact CE1-CG 4.25Å; F204-K224 HydrophobicContact CG-CG 4Å; F204-V228 HydrophobicContact CE1-CB 4.4Å; F204-V228 HydrophobicContact CE1-CG1 4.39Å; F204-V228 HydrophobicContact CE1-CG2 4.03Å; F204-F229 HydrophobicContact CE2-CE2 4.22Å; F204-F229 AromaticContact CZ-CE2 3.66Å; F204-F229 HydrophobicContact CZ-CE2 3.66Å; F204-F229 HydrophobicContact CZ-CZ 4.27Å
205M95.1Very high90.4Very high115 Ų11555.6 Ų55.657%0.56730%0.298SS*.EExtended strand (participates in β ladder)trans-84.2117.7167.8-166168-67.400109.8F192 V193F192-M205 HydrophobicContact CB-CG 4.23Å; F192-M205 HydrophobicContact CB-SD 4.36Å; F192-M205 HydrophobicContact CD1-CG 4.34Å; V193-M205 WeakPolarHBondContact O-CA 3.48Å
206L95.1Very high90.4Very high16 Ų1657 Ų578%0.08431%0.31CS..EExtended strand (participates in β ladder)trans-116.7136.2-177-57.6176.2000110.1F192 V193 I195 F204 L217 A221 K224F192-L206 CarbonylContact C-O 3.52Å; F192-L206 WeakPolarHBondContact CA-O 3.46Å; V193-L206 PolarHBondContact N-O 2.82Å; V193-L206 PolarHBondContact O-N 2.62Å; I195-L206 HydrophobicContact CB-CD1 4.41Å; I195-L206 HydrophobicContact CD1-CD1 3.95Å; I195-L206 HydrophobicContact CG1-CD1 4.22Å; F204-L206 HydrophobicContact CB-CD2 4.21Å; F204-L206 HydrophobicContact CB-CG 4.34Å; L206-L217 HydrophobicContact CB-CD1 4.36Å; L206-L217 HydrophobicContact CD1-CD1 4.12Å; L206-A221 HydrophobicContact CD1-CB 3.67Å; L206-K224 HydrophobicContact CD2-CB 4.14Å; L206-K224 HydrophobicContact CD2-CG 4.22Å
207Q94.6Very high90.5Very high90 Ų9053.9 Ų53.942%0.42130%0.297SS..EExtended strand (participates in β ladder)trans-88.7128.8170.8176.8167.389.400109.3K190 L191 F192K190-Q207 HydrophobicContact CB-CG 4.22Å; K190-Q207 HydrophobicContact CD-CG 4.41Å; K190-Q207 HydrophobicContact CG-CG 4.42Å; L191-Q207 CarbonylContact O-C 3.57Å; L191-Q207 WeakPolarHBondContact O-CA 3.25Å; F192-Q207 HydrophobicContact CD1-CB 4.2Å; F192-Q207 HydrophobicContact CE1-CB 4.01Å; F192-Q207 HydrophobicContact CE1-CG 4.38Å
208Q93.6Very high90.7Very high19 Ų1954.4 Ų54.49%0.08930%0.299CS..EExtended strand (participates in β ladder)trans-133.2162.1173.7-68.2-54.6-1900112K190 L191 D212 L217 S220 L256K190-Q208 CarbonylContact C-O 3.49Å; K190-Q208 WeakPolarHBondContact CA-O 3.3Å; L191-Q208 PolarHBondContact N-O 3.44Å; L191-Q208 PolarHBondContact O-N 3.44Å; Q208-D212 PolarHBondContact OE1-OD2 2.97Å; Q208-L217 HydrophobicContact CG-CB 4.15Å; Q208-L217 HydrophobicContact CG-CD1 3.47Å; Q208-L217 VanDerWaalsContact CG-CD1 3.47Å; Q208-L217 HydrophobicContact CG-CG 4.35Å; Q208-S220 PolarHBondContact NE2-OG 3.32Å; Q208-L256 HydrophobicContact CB-CD1 4.32Å
209D91.6Very high91.2Very high54 Ų5456.1 Ų56.129%0.28931%0.306SS..EExtended strand (participates in β ladder)trans-75137.6163-160-59.1000109.6Q211 D212D209-Q211 PolarHBondContact O-N 3.43Å; D209-Q211 VanDerWaalsContact O-N 3.16Å; D209-Q211 PolarHBondContact OD1-N 2.89Å; D209-D212 WeakPolarHBondContact CA-OD2 3.06Å; D209-D212 WeakPolarHBondContact CB-OD2 3.43Å; D209-D212 PolarHBondContact N-OD2 3.32Å; D209-D212 WeakPolarHBondContact O-CB 3.24Å; D209-D212 PolarHBondContact O-N 3.47Å
210S89.4Confident92Very high7 Ų752 Ų525%0.04928%0.276CS..THydrogen-bonded Turntrans-53.2-29.2171.3580000114.2K189 L256 C257K189-S210 WeakPolarHBondContact O-CB 3.4Å; K189-S210 PolarHBondContact O-N 3.28Å; K189-S210 PolarHBondContact O-OG 2.94Å; S210-L256 PolarHBondContact O-N 2.89Å; S210-C257 WeakPolarHBondContact O-CB 3.46Å; S210-C257 PolarHBondContact O-N 3.15Å; S210-C257 PolarHBondContact O-SG 3.2Å
211Q91.2Very high92.6Very high90 Ų9050.4 Ų50.442%0.42127%0.265SS..THydrogen-bonded Turntrans-88-5.7-179.6-63.4-62.1-3800113.5S175 D209 C257S175-Q211 PolarHBondContact O-NE2 3.23Å; S175-Q211 VanDerWaalsContact O-NE2 3.11Å; D209-Q211 PolarHBondContact O-N 3.43Å; D209-Q211 VanDerWaalsContact O-N 3.16Å; D209-Q211 PolarHBondContact OD1-N 2.89Å; Q211-C257 PolarHBondContact NE2-SG 2.78Å; Q211-C257 VanDerWaalsContact NE2-SG 3.36Å
212D94.1Very high93.4Very high52 Ų5244 Ų4428%0.27823%0.231SC..  trans-63.4152177.5-73.3-32.8000111.1Q208 D209 A216 L256Q208-D212 PolarHBondContact OE1-OD2 2.97Å; D209-D212 WeakPolarHBondContact CA-OD2 3.06Å; D209-D212 WeakPolarHBondContact CB-OD2 3.43Å; D209-D212 PolarHBondContact N-OD2 3.32Å; D209-D212 WeakPolarHBondContact O-CB 3.24Å; D209-D212 PolarHBondContact O-N 3.47Å; D212-A216 HydrophobicContact CB-CB 4.15Å; D212-L256 HydrophobicContact CB-CD1 4.3Å; D212-L256 WeakPolarHBondContact O-CG 3.29Å; D212-L256 PolarHBondContact O-N 3Å
213L95.4Very high93.9Very high55 Ų5547 Ų4729%0.28824%0.243SC..  trans-80.4154.3172.1-63176.9000110.6V215 A216L213-V215 HydrophobicContact CB-CG1 4.08Å; L213-V215 PolarHBondContact O-N 3.27Å; L213-A216 WeakPolarHBondContact O-CB 3.31Å; L213-A216 PolarHBondContact O-N 3.47Å
214P96.1Very high93.9Very high1 Ų148.9 Ų48.91%0.00624%0.243CC..Hα-helixtrans-49.4-38177.5-30.735000113.9A216 L217 M218 L241 I250 H254 L256 F259P214-A216 VanDerWaalsContact C-N 3.3Å; P214-A216 PolarHBondContact O-N 2.97Å; P214-L217 WeakPolarHBondContact O-CB 3.44Å; P214-L217 PolarHBondContact O-N 2.73Å; P214-M218 WeakPolarHBondContact O-CG 2.96Å; P214-M218 PolarHBondContact O-N 3.02Å; P214-L241 HydrophobicContact CB-CD1 4.35Å; P214-I250 HydrophobicContact CB-CG2 4.13Å; P214-I250 HydrophobicContact CG-CG2 3.79Å; P214-H254 WeakPolarHBondContact CD-O 3.35Å; P214-L256 HydrophobicContact CG-CD2 4.43Å; P214-F259 HydrophobicContact CG-CE2 3.82Å; P214-F259 HydrophobicContact CG-CZ 3.86Å
215V96.1Very high93.8Very high40 Ų4050.2 Ų50.224%0.24225%0.249CC..Hα-helixtrans-61.2-33.1178.768.70000113.5L213 M218 K219 P236L213-V215 HydrophobicContact CB-CG1 4.08Å; L213-V215 PolarHBondContact O-N 3.27Å; V215-M218 HydrophobicContact CB-CE 4.27Å; V215-M218 HydrophobicContact CG2-CE 4.45Å; V215-M218 PolarHBondContact O-N 2.65Å; V215-K219 HydrophobicContact CG2-CD 4.43Å; V215-K219 WeakPolarHBondContact O-CB 3.33Å; V215-K219 VanDerWaalsContact O-CG 3.31Å; V215-K219 WeakPolarHBondContact O-CG 3.46Å; V215-K219 PolarHBondContact O-N 3.41Å; V215-P236 HydrophobicContact CG2-CB 4.27Å; V215-P236 HydrophobicContact CG2-CG 4.35Å
216A95.3Very high93.5Very high30 Ų3045.8 Ų45.825%0.24823%0.231CC..Hα-helixtrans-69.6-38.4178.100000111.6D212 L213 P214 K219 S220D212-A216 HydrophobicContact CB-CB 4.15Å; L213-A216 WeakPolarHBondContact O-CB 3.31Å; L213-A216 PolarHBondContact O-N 3.47Å; P214-A216 VanDerWaalsContact C-N 3.3Å; P214-A216 PolarHBondContact O-N 2.97Å; A216-K219 PolarHBondContact O-N 3.18Å; A216-S220 WeakPolarHBondContact O-CB 3.44Å; A216-S220 PolarHBondContact O-N 2.88Å; A216-S220 PolarHBondContact O-OG 3.39Å
217L95.8Very high93.2Very high0 Ų049.8 Ų49.80%026%0.256CS..Hα-helixtrans-65.2-44.1173.4175.361.9000111.2V193 I195 L206 Q208 P214 S220 A221 L241 L256 L274V193-L217 HydrophobicContact CB-CD1 4.15Å; V193-L217 HydrophobicContact CB-CD2 4.47Å; V193-L217 HydrophobicContact CG1-CD1 4.35Å; V193-L217 HydrophobicContact CG1-CD2 4.03Å; V193-L217 HydrophobicContact CG2-CD1 4.31Å; V193-L217 HydrophobicContact CG2-CD2 4.28Å; I195-L217 HydrophobicContact CD1-CD1 3.51Å; I195-L217 HydrophobicContact CD1-CD2 4Å; I195-L217 HydrophobicContact CD1-CG 3.56Å; I195-L217 HydrophobicContact CG1-CD1 4.41Å; L206-L217 HydrophobicContact CB-CD1 4.36Å; L206-L217 HydrophobicContact CD1-CD1 4.12Å; Q208-L217 HydrophobicContact CG-CB 4.15Å; Q208-L217 HydrophobicContact CG-CD1 3.47Å; Q208-L217 VanDerWaalsContact CG-CD1 3.47Å; Q208-L217 HydrophobicContact CG-CG 4.35Å; P214-L217 WeakPolarHBondContact O-CB 3.44Å; P214-L217 PolarHBondContact O-N 2.73Å; L217-S220 PolarHBondContact O-N 3.38Å; L217-A221 PolarHBondContact O-N 3.46Å; L217-L241 HydrophobicContact CD2-CD1 3.72Å; L217-L241 HydrophobicContact CG-CD1 4.21Å; L217-L256 HydrophobicContact CB-CD1 4.22Å; L217-L256 HydrophobicContact CD2-CD1 4.09Å; L217-L256 HydrophobicContact CD2-CD2 3.96Å; L217-L274 HydrophobicContact CD2-CD1 4Å
218M95.8Very high92.8Very high14 Ų1448.9 Ų48.97%0.06926%0.256CS..Hα-helixtrans-61.2-45.6175.1-66.2-168.4-65.800112.2P214 V215 S220 A221 L222 P236 Y239 L241 M276P214-M218 WeakPolarHBondContact O-CG 2.96Å; P214-M218 PolarHBondContact O-N 3.02Å; V215-M218 HydrophobicContact CB-CE 4.27Å; V215-M218 HydrophobicContact CG2-CE 4.45Å; V215-M218 PolarHBondContact O-N 2.65Å; M218-S220 VanDerWaalsContact C-N 3.28Å; M218-S220 PolarHBondContact O-N 3.19Å; M218-A221 PolarHBondContact O-N 3.27Å; M218-L222 WeakPolarHBondContact O-CG 3.5Å; M218-L222 PolarHBondContact O-N 3.14Å; M218-P236 HydrophobicContact CB-CB 4.16Å; M218-Y239 VanDerWaalsContact SD-O 3.38Å; M218-L241 HydrophobicContact CG-CD1 3.91Å; M218-L241 HydrophobicContact CG-CD2 3.99Å; M218-L241 HydrophobicContact CG-CG 3.76Å; M218-L241 HydrophobicContact SD-CG 4.11Å; M218-M276 HydrophobicContact CB-SD 4.11Å; M218-M276 HydrophobicContact CG-SD 3.92Å
219K95.3Very high92.4Very high111 Ų11152 Ų5248%0.48327%0.27SS..Hα-helixtrans-54.9-44.6174.1-79.9173.3179.5176.40112V215 A216 K223 P236V215-K219 HydrophobicContact CG2-CD 4.43Å; V215-K219 WeakPolarHBondContact O-CB 3.33Å; V215-K219 VanDerWaalsContact O-CG 3.31Å; V215-K219 WeakPolarHBondContact O-CG 3.46Å; V215-K219 PolarHBondContact O-N 3.41Å; A216-K219 PolarHBondContact O-N 3.18Å; K219-K223 WeakPolarHBondContact O-CB 3.4Å; K219-K223 PolarHBondContact O-N 3.21Å; K219-P236 HydrophobicContact CD-CG 4.19Å; K219-P236 VanDerWaalsContact CE-CG 3.46Å; K219-P236 HydrophobicContact CG-CB 3.77Å; K219-P236 HydrophobicContact CG-CG 3.54Å
220S94.4Very high91.9Very high43 Ų4360.6 Ų60.630%0.30130%0.298SS..Hα-helixtrans-67.5-39.7179.6-60.30000112.3Q208 A216 L217 M218 K223 K224Q208-S220 PolarHBondContact NE2-OG 3.32Å; A216-S220 WeakPolarHBondContact O-CB 3.44Å; A216-S220 PolarHBondContact O-N 2.88Å; A216-S220 PolarHBondContact O-OG 3.39Å; L217-S220 PolarHBondContact O-N 3.38Å; M218-S220 VanDerWaalsContact C-N 3.28Å; M218-S220 PolarHBondContact O-N 3.19Å; S220-K223 PolarHBondContact O-N 3.38Å; S220-K224 WeakPolarHBondContact O-CB 3.44Å; S220-K224 PolarHBondContact O-N 3.47Å
221A93.8Very high91.2Very high0 Ų062.4 Ų62.40%031%0.311CS..Hα-helixtrans-63.7-47175.400000112I195 F197 L206 L217 M218 K223 K224 K225 M276I195-A221 HydrophobicContact CD1-CB 4.01Å; I195-A221 HydrophobicContact CG2-CB 4.05Å; F197-A221 HydrophobicContact CE2-CB 4.49Å; F197-A221 HydrophobicContact CZ-CB 4.06Å; L206-A221 HydrophobicContact CD1-CB 3.67Å; L217-A221 PolarHBondContact O-N 3.46Å; M218-A221 PolarHBondContact O-N 3.27Å; A221-K223 PolarHBondContact O-N 3.09Å; A221-K224 PolarHBondContact O-N 2.86Å; A221-K225 WeakPolarHBondContact O-CB 3.4Å; A221-K225 PolarHBondContact O-N 3.44Å; A221-M276 HydrophobicContact CB-CE 4.41Å; A221-M276 HydrophobicContact CB-CG 4.34Å; A221-M276 HydrophobicContact CB-SD 4.04Å
222L93.4Very high90.5Very high14 Ų1464.1 Ų64.17%0.07333%0.327CS..Hα-helixtrans-63.3-41.1177.7-71174.2000112F197 M218 K224 K225 A226 Q234 P236 Y239 M276F197-L222 HydrophobicContact CE1-CD2 3.95Å; F197-L222 HydrophobicContact CZ-CD2 4.38Å; M218-L222 WeakPolarHBondContact O-CG 3.5Å; M218-L222 PolarHBondContact O-N 3.14Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 3.3Å; L222-K225 PolarHBondContact O-N 3.47Å; L222-A226 WeakPolarHBondContact O-CB 3.31Å; L222-A226 PolarHBondContact O-N 3.46Å; L222-Q234 HydrophobicContact CD2-CB 4.23Å; L222-P236 HydrophobicContact CD1-CB 3.99Å; L222-Y239 HydrophobicContact CD1-CD2 4.04Å; L222-Y239 HydrophobicContact CD1-CE2 4.28Å; L222-Y239 HydrophobicContact CD2-CD2 4.27Å; L222-Y239 HydrophobicContact CD2-CE2 3.95Å; L222-M276 HydrophobicContact CD1-CE 4.22Å; L222-M276 HydrophobicContact CD2-CE 3.43Å; L222-M276 VanDerWaalsContact CD2-CE 3.43Å; L222-M276 HydrophobicContact CG-CE 3.54Å
223K92.4Very high89.7Confident157 Ų15772.4 Ų72.468%0.68335%0.354SS*.Hα-helixtrans-60.2-43173.9-174.5178.6179.9-179.40111.5K219 S220 A221 T227K219-K223 WeakPolarHBondContact O-CB 3.4Å; K219-K223 PolarHBondContact O-N 3.21Å; S220-K223 PolarHBondContact O-N 3.38Å; A221-K223 PolarHBondContact O-N 3.09Å; K223-T227 WeakPolarHBondContact O-CB 3.23Å; K223-T227 PolarHBondContact O-N 3.22Å; K223-T227 PolarHBondContact O-OG1 3.33Å
224K91.3Very high89.2Confident101 Ų10173.4 Ų73.444%0.43936%0.357SS..Hα-helixtrans-64.5-47.2177.4-171.866.5175.1-177.60111.2F204 L206 S220 A221 L222 T227 V228F204-K224 HydrophobicContact CB-CG 4.34Å; F204-K224 HydrophobicContact CD1-CG 3.73Å; F204-K224 HydrophobicContact CE1-CG 4.25Å; F204-K224 HydrophobicContact CG-CG 4Å; L206-K224 HydrophobicContact CD2-CB 4.14Å; L206-K224 HydrophobicContact CD2-CG 4.22Å; S220-K224 WeakPolarHBondContact O-CB 3.44Å; S220-K224 PolarHBondContact O-N 3.47Å; A221-K224 PolarHBondContact O-N 2.86Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 3.3Å; K224-T227 PolarHBondContact O-N 3.31Å; K224-V228 HydrophobicContact CD-CG2 4.41Å; K224-V228 HydrophobicContact CG-CG2 4.48Å; K224-V228 WeakPolarHBondContact O-CG2 3.47Å; K224-V228 PolarHBondContact O-N 3.42Å
225K89.8Confident88.9Confident46 Ų4678.9 Ų78.920%0.238%0.383CS..Hα-helixtrans-57.3-49.8176.1-175.8179.8174.7-179.40111.9F197 A221 L222 T227 V228 F229F197-K225 HydrophobicContact CD1-CD 3.66Å; F197-K225 HydrophobicContact CD2-CD 4.11Å; F197-K225 HydrophobicContact CE1-CB 4.42Å; F197-K225 HydrophobicContact CE1-CD 3.38Å; F197-K225 HydrophobicContact CE1-CG 4.46Å; F197-K225 HydrophobicContact CE2-CB 3.89Å; F197-K225 HydrophobicContact CE2-CD 3.9Å; F197-K225 HydrophobicContact CE2-CG 4.25Å; F197-K225 HydrophobicContact CG-CD 4Å; F197-K225 HydrophobicContact CZ-CB 3.71Å; F197-K225 HydrophobicContact CZ-CD 3.53Å; F197-K225 HydrophobicContact CZ-CG 4.15Å; A221-K225 WeakPolarHBondContact O-CB 3.4Å; A221-K225 PolarHBondContact O-N 3.44Å; L222-K225 PolarHBondContact O-N 3.47Å; K225-T227 VanDerWaalsContact C-N 3.26Å; K225-T227 PolarHBondContact O-N 2.86Å; K225-V228 PolarHBondContact O-N 2.96Å; K225-F229 HydrophobicContact CB-CD2 4.44Å; K225-F229 HydrophobicContact CG-CD2 3.61Å; K225-F229 HydrophobicContact CG-CE2 4Å; K225-F229 WeakPolarHBondContact O-CD2 3.46Å; K225-F229 PolarHBondContact O-N 3.02Å
226A89.2Confident88.7Confident22 Ų2277.4 Ų77.418%0.18237%0.374CS..Hα-helixtrans-60.4-36.5178.300000112.4L222 R230 S231L222-A226 WeakPolarHBondContact O-CB 3.31Å; L222-A226 PolarHBondContact O-N 3.46Å; A226-R230 WeakPolarHBondContact O-CA 3.48Å; A226-R230 PolarHBondContact O-N 3.27Å; A226-S231 WeakPolarHBondContact CA-OG 3.34Å
227T88.9Confident88.5Confident100 Ų10080.2 Ų80.261%0.61338%0.382SS*.Hα-helixtrans-70-41.9177.7-52.90000112K223 K224 K225K223-T227 WeakPolarHBondContact O-CB 3.23Å; K223-T227 PolarHBondContact O-N 3.22Å; K223-T227 PolarHBondContact O-OG1 3.33Å; K224-T227 PolarHBondContact O-N 3.31Å; K225-T227 VanDerWaalsContact C-N 3.26Å; K225-T227 PolarHBondContact O-N 2.86Å
228V86.6Confident88.4Confident70 Ų7083.2 Ų83.242%0.42440%0.398SS..Hα-helixtrans-75.8-47.2-176.1172.80000111.4F204 K224 K225F204-V228 HydrophobicContact CE1-CB 4.4Å; F204-V228 HydrophobicContact CE1-CG1 4.39Å; F204-V228 HydrophobicContact CE1-CG2 4.03Å; K224-V228 HydrophobicContact CD-CG2 4.41Å; K224-V228 HydrophobicContact CG-CG2 4.48Å; K224-V228 WeakPolarHBondContact O-CG2 3.47Å; K224-V228 PolarHBondContact O-N 3.42Å; K225-V228 PolarHBondContact O-N 2.96Å
229F85Confident88.3Confident86 Ų8683.5 Ų83.538%0.37740%0.399SS..Hα-helixtrans-97.5-0.4-174-60.5-74.1000114.6E202 F204 K225 S231E202-F229 HydrophobicContact CB-CZ 4.24Å; E202-F229 HydrophobicContact CG-CZ 4.19Å; E202-F229 WeakPolarHBondContact OE1-CE1 3.19Å; E202-F229 WeakPolarHBondContact OE2-CE1 3.45Å; E202-F229 WeakPolarHBondContact OE2-CZ 3.25Å; F204-F229 HydrophobicContact CE2-CE2 4.22Å; F204-F229 AromaticContact CZ-CE2 3.66Å; F204-F229 HydrophobicContact CZ-CE2 3.66Å; F204-F229 HydrophobicContact CZ-CZ 4.27Å; K225-F229 HydrophobicContact CB-CD2 4.44Å; K225-F229 HydrophobicContact CG-CD2 3.61Å; K225-F229 HydrophobicContact CG-CE2 4Å; K225-F229 WeakPolarHBondContact O-CD2 3.46Å; K225-F229 PolarHBondContact O-N 3.02Å; F229-S231 PolarHBondContact O-N 2.89Å
230R80.8Confident88.4Confident233 Ų23378.3 Ų78.388%0.87938%0.376SS*.  trans5335-174.3-55.4-179.1-179.61780112.9A226A226-R230 WeakPolarHBondContact O-CA 3.48Å; A226-R230 PolarHBondContact O-N 3.27Å
231S75.2Confident88.5Confident45 Ų4576.2 Ų76.232%0.31536%0.362SS..PPolyproline II helixtrans-80.9160.1-179.665.70000112.1A226 F229A226-S231 WeakPolarHBondContact CA-OG 3.34Å; F229-S231 PolarHBondContact O-N 2.89Å
232V76.4Confident88.5Confident126 Ų12678.1 Ų78.176%0.76437%0.371SS*.PPolyproline II helixtrans-58143.7171.7-174.50000109.6Q234V232-Q234 PolarHBondContact O-N 3.11Å
233R76.3Confident88.5Confident226 Ų22677.5 Ų77.585%0.85337%0.367SS*.PPolyproline II helixtrans-63.6131.6173.5-72.6-174.4179.8-179.12109.1
234Q86Confident88.4Confident76 Ų7671.7 Ų71.736%0.35534%0.344SS..  trans-113153.6177.4-55.1-179.7-63.400108.4L222 V232 Y239L222-Q234 HydrophobicContact CD2-CB 4.23Å; V232-Q234 PolarHBondContact O-N 3.11Å; Q234-Y239 HydrophobicContact CB-CE2 4.05Å; Q234-Y239 PolarHBondContact NE2-OH 2.91Å; Q234-Y239 VanDerWaalsContact NE2-OH 3.09Å; Q234-Y239 PolarHBondContact OE1-OH 2.87Å
235E90.1Very high88.1Confident117 Ų11767.7 Ų67.755%0.54733%0.331SS..  trans-83.9134.5178.8-63.9-55.1140.500110.5E237 D238 Y239E235-E237 PolarHBondContact O-N 3.33Å; E235-D238 PolarHBondContact O-N 2.85Å; E235-Y239 WeakPolarHBondContact O-CD2 3.35Å
236P91.4Very high88.1Confident8 Ų869.2 Ų69.25%0.05234%0.336CS..G310 helixtrans-67.7-22.8179.528.9-35.8000113.1V215 M218 K219 L222 D238 Y239V215-P236 HydrophobicContact CG2-CB 4.27Å; V215-P236 HydrophobicContact CG2-CG 4.35Å; M218-P236 HydrophobicContact CB-CB 4.16Å; K219-P236 HydrophobicContact CD-CG 4.19Å; K219-P236 VanDerWaalsContact CE-CG 3.46Å; K219-P236 HydrophobicContact CG-CB 3.77Å; K219-P236 HydrophobicContact CG-CG 3.54Å; L222-P236 HydrophobicContact CD1-CB 3.99Å; P236-D238 PolarHBondContact O-N 3.43Å; P236-Y239 PolarHBondContact O-N 3.01Å
237E91.4Very high88.1Confident90 Ų9072 Ų7242%0.42134%0.342SS..G310 helixtrans-67.4-19177.5-66.172.7-157.300112.8W159 E235 Y239W159-E237 WeakPolarHBondContact CZ2-O 3.36Å; E235-E237 PolarHBondContact O-N 3.33Å; E237-Y239 PolarHBondContact O-N 2.92Å
238D92.9Very high88.4Confident63 Ų6367.7 Ų67.734%0.33731%0.314SS..G310 helixtrans-82.3-1176.4-66.6-26.4000113.2E235 P236 H279E235-D238 PolarHBondContact O-N 2.85Å; P236-D238 PolarHBondContact O-N 3.43Å; D238-H279 WeakPolarHBondContact O-CB 3.35Å; D238-H279 PolarHBondContact O-N 3.35Å
239Y94.5Very high88.8Confident19 Ų1964.6 Ų64.68%0.07530%0.295CS..EExtended strand (participates in β ladder)trans-122.2158.7-174.9-70-87.9000112.6M218 L222 Q234 E235 P236 E237 M276 V277 H278M218-Y239 VanDerWaalsContact SD-O 3.38Å; L222-Y239 HydrophobicContact CD1-CD2 4.04Å; L222-Y239 HydrophobicContact CD1-CE2 4.28Å; L222-Y239 HydrophobicContact CD2-CD2 4.27Å; L222-Y239 HydrophobicContact CD2-CE2 3.95Å; Q234-Y239 HydrophobicContact CB-CE2 4.05Å; Q234-Y239 PolarHBondContact NE2-OH 2.91Å; Q234-Y239 VanDerWaalsContact NE2-OH 3.09Å; Q234-Y239 PolarHBondContact OE1-OH 2.87Å; E235-Y239 WeakPolarHBondContact O-CD2 3.35Å; P236-Y239 PolarHBondContact O-N 3.01Å; E237-Y239 PolarHBondContact O-N 2.92Å; Y239-M276 HydrophobicContact CD1-CE 3.82Å; Y239-M276 HydrophobicContact CD2-CE 4.25Å; Y239-M276 HydrophobicContact CE1-CE 4.35Å; Y239-M276 HydrophobicContact CG-CE 3.78Å; Y239-V277 WeakPolarHBondContact CA-O 3.34Å; Y239-V277 WeakPolarHBondContact CD1-O 3.39Å; Y239-H278 HydrophobicContact CD1-CB 4.25Å; Y239-H278 HydrophobicContact CE1-CB 3.84Å; Y239-H278 AromaticContact CE1-CD2 3.79Å; Y239-H278 AromaticContact CE2-CD2 3.99Å; Y239-H278 AromaticContact CZ-CD2 3.56Å
240T95.9Very high89.3Confident2 Ų260.6 Ų60.61%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-135.5165.1166.7-171.20000109.7M163 F249 V277 I282M163-T240 HydrophobicContact SD-CG2 3.84Å; T240-F249 HydrophobicContact CG2-CD1 3.72Å; T240-F249 HydrophobicContact CG2-CE1 3.88Å; T240-V277 HydrophobicContact CG2-CB 4Å; T240-V277 PolarHBondContact N-O 3.43Å; T240-V277 PolarHBondContact O-N 3.41Å; T240-I282 HydrophobicContact CG2-CD1 4.38Å; T240-I282 HydrophobicContact CG2-CG1 4.31Å
241L96.4Very high89.9Confident0 Ų050.6 Ų50.60%024%0.24CC..EExtended strand (participates in β ladder)trans-108.3122.7179-65168.3000109.8I195 P214 L217 M218 F249 I250 L274 T275 M276I195-L241 HydrophobicContact CD1-CD2 4.03Å; P214-L241 HydrophobicContact CB-CD1 4.35Å; L217-L241 HydrophobicContact CD2-CD1 3.72Å; L217-L241 HydrophobicContact CG-CD1 4.21Å; M218-L241 HydrophobicContact CG-CD1 3.91Å; M218-L241 HydrophobicContact CG-CD2 3.99Å; M218-L241 HydrophobicContact CG-CG 3.76Å; M218-L241 HydrophobicContact SD-CG 4.11Å; L241-F249 CarbonylContact O-C 3.54Å; L241-F249 VanDerWaalsContact O-CA 3.23Å; L241-F249 WeakPolarHBondContact O-CA 3.37Å; L241-I250 HydrophobicContact CB-CB 4.09Å; L241-I250 HydrophobicContact CD1-CG2 4.48Å; L241-I250 PolarHBondContact O-N 3.05Å; L241-L274 HydrophobicContact CB-CD1 4.42Å; L241-L274 HydrophobicContact CD1-CD1 4.24Å; L241-T275 WeakPolarHBondContact CA-O 3.39Å; L241-M276 HydrophobicContact CD2-CG 4.03Å; L241-M276 HydrophobicContact CD2-SD 3.94Å
242Q95.1Very high90.8Very high40 Ų4050.1 Ų50.119%0.18724%0.242CC..EExtended strand (participates in β ladder)trans-101.4138.4173.9-170.4-179.15.400110.3N244 R246 F249 L274 T275 V277Q242-N244 PolarHBondContact O-N 3.25Å; Q242-R246 PolarHBondContact NE2-O 3.49Å; Q242-F249 HydrophobicContact CB-CD1 3.91Å; Q242-F249 HydrophobicContact CB-CE1 3.68Å; Q242-F249 HydrophobicContact CB-CZ 4.21Å; Q242-F249 HydrophobicContact CG-CD1 4.23Å; Q242-F249 HydrophobicContact CG-CE1 3.86Å; Q242-F249 HydrophobicContact CG-CE2 4.23Å; Q242-F249 HydrophobicContact CG-CZ 3.86Å; Q242-L274 CarbonylContact O-C 3.52Å; Q242-L274 VanDerWaalsContact O-CA 3.29Å; Q242-L274 WeakPolarHBondContact O-CA 3.48Å; Q242-T275 PolarHBondContact N-O 2.95Å; Q242-T275 PolarHBondContact O-N 2.91Å; Q242-V277 HydrophobicContact CB-CG2 3.82Å
243V93.9Very high91.6Very high0 Ų051.2 Ų51.20%024%0.239CC..EExtended strand (participates in β ladder)trans-71.1127.4168.71790000109.3G245 R246 E248 I250 Y261 L274V243-G245 PolarHBondContact O-N 2.95Å; V243-R246 HydrophobicContact CB-CB 4.33Å; V243-R246 HydrophobicContact CG1-CB 4.3Å; V243-R246 HydrophobicContact CG1-CG 4.39Å; V243-R246 PolarHBondContact O-N 3.32Å; V243-R246 VanDerWaalsContact O-N 3.15Å; V243-E248 HydrophobicContact CB-CB 4.11Å; V243-E248 HydrophobicContact CB-CG 4.5Å; V243-E248 HydrophobicContact CG2-CB 4.05Å; V243-E248 HydrophobicContact CG2-CG 3.91Å; V243-E248 PolarHBondContact N-O 3.28Å; V243-I250 HydrophobicContact CG2-CD1 4.13Å; V243-I250 HydrophobicContact CG2-CG1 4.26Å; V243-Y261 HydrophobicContact CB-CD1 4.36Å; V243-Y261 HydrophobicContact CG1-CD1 3.82Å; V243-Y261 HydrophobicContact CG1-CD2 3.73Å; V243-Y261 HydrophobicContact CG1-CE1 3.78Å; V243-Y261 HydrophobicContact CG1-CE2 3.69Å; V243-Y261 HydrophobicContact CG1-CG 3.79Å; V243-Y261 HydrophobicContact CG2-CD1 3.64Å; V243-Y261 HydrophobicContact CG2-CE1 4.2Å; V243-Y261 HydrophobicContact CG2-CG 3.89Å; V243-L274 HydrophobicContact CG2-CD2 4.03Å
244N89.6Confident92.4Very high35 Ų3543.7 Ų43.719%0.18721%0.214CC..THydrogen-bonded Turntrans-57125.4-177.2-81.118.5000111.8Q242 R246 Q273 L274 T275 L765Q242-N244 PolarHBondContact O-N 3.25Å; N244-R246 VanDerWaalsContact C-N 3.3Å; N244-R246 PolarHBondContact O-N 3.44Å; N244-Q273 HydrophobicContact CB-CB 4.02Å; N244-Q273 WeakPolarHBondContact CB-O 3.29Å; N244-Q273 PolarHBondContact N-O 3.36Å; N244-Q273 VanDerWaalsContact N-O 3.13Å; N244-L274 WeakPolarHBondContact OD1-CA 3.45Å; N244-T275 PolarHBondContact OD1-N 3.2Å; N244-T275 VanDerWaalsContact OD1-N 3.12Å; N244-T275 PolarHBondContact OD1-OG1 2.86Å; N244-L765 VanDerWaalsContact C-CD1 3.43Å; N244-L765 HydrophobicContact CB-CD1 3.44Å; N244-L765 VanDerWaalsContact CB-CD1 3.44Å
245G85.4Confident92.7Very high17 Ų1741.3 Ų41.318%0.17521%0.205CC..THydrogen-bonded Turntrans79.39175.800000114.4V243V243-G245 PolarHBondContact O-N 2.95Å
246R89.1Confident92.9Very high79 Ų7935.7 Ų35.730%0.29818%0.179SC..BIsolated β-bridgetrans-133.5156.4-178.3-63.3-172.9-179.9-153.4-1.7111.8Q242 V243 N244 E248 S736Q242-R246 PolarHBondContact NE2-O 3.49Å; V243-R246 HydrophobicContact CB-CB 4.33Å; V243-R246 HydrophobicContact CG1-CB 4.3Å; V243-R246 HydrophobicContact CG1-CG 4.39Å; V243-R246 PolarHBondContact O-N 3.32Å; V243-R246 VanDerWaalsContact O-N 3.15Å; N244-R246 VanDerWaalsContact C-N 3.3Å; N244-R246 PolarHBondContact O-N 3.44Å; R246-E248 HydrophobicContact CB-CB 4.1Å; R246-E248 PolarHBondContact O-N 2.87Å; R246-S736 WeakPolarHBondContact CA-O 3.49Å; R246-S736 WeakPolarHBondContact CB-O 3.38Å
247W89.9Confident92.9Very high80 Ų8035.3 Ų35.330%0.30318%0.176SC..SBendtrans-88.952.8167.5-78.324.6000110F167 L683 L730 S736F167-W247 HydrophobicContact CD1-CB 4.35Å; F167-W247 HydrophobicContact CE1-CB 4.13Å; F167-W247 HydrophobicContact CE1-CD2 4.11Å; F167-W247 AromaticContact CE1-CE3 3.74Å; F167-W247 HydrophobicContact CE1-CE3 3.74Å; F167-W247 HydrophobicContact CE1-CG 4.33Å; F167-W247 HydrophobicContact CE1-CZ3 4.46Å; F167-W247 HydrophobicContact CZ-CE3 4.45Å; W247-L683 HydrophobicContact CZ3-CD1 4.29Å; W247-L730 HydrophobicContact CB-CD2 4.5Å; W247-L730 HydrophobicContact CD2-CD2 3.56Å; W247-L730 HydrophobicContact CE3-CD1 4.11Å; W247-L730 HydrophobicContact CE3-CD2 3.72Å; W247-L730 HydrophobicContact CG-CD2 3.91Å; W247-L730 HydrophobicContact CZ2-CD2 4.36Å; W247-L730 HydrophobicContact CZ3-CD1 4.19Å; W247-L730 HydrophobicContact CZ3-CD2 4.2Å; W247-S736 PolarHBondContact N-O 2.94Å
248E93.6Very high93Very high9 Ų932.8 Ų32.84%0.04216%0.164CC..  trans-125.6133.7-179.5-177.4178.6170.700108.2V243 R246 Y261V243-E248 HydrophobicContact CB-CB 4.11Å; V243-E248 HydrophobicContact CB-CG 4.5Å; V243-E248 HydrophobicContact CG2-CB 4.05Å; V243-E248 HydrophobicContact CG2-CG 3.91Å; V243-E248 PolarHBondContact N-O 3.28Å; R246-E248 HydrophobicContact CB-CB 4.1Å; R246-E248 PolarHBondContact O-N 2.87Å; E248-Y261 WeakPolarHBondContact OE1-CB 3.37Å
249F95.3Very high93Very high6 Ų629.9 Ų29.93%0.02615%0.148CC..EExtended strand (participates in β ladder)trans-126148.7-175.4-70.2-99.6000111.1M163 F167 T240 L241 Q242 Y251 V277 I282M163-F249 HydrophobicContact SD-CD1 4.4Å; F167-F249 HydrophobicContact CB-CD2 3.63Å; F167-F249 HydrophobicContact CB-CE2 4.28Å; F167-F249 HydrophobicContact CB-CG 4.42Å; F167-F249 AromaticContact CD1-CD2 3.91Å; F167-F249 HydrophobicContact CD1-CD2 3.91Å; F167-F249 AromaticContact CD1-CE2 3.77Å; F167-F249 HydrophobicContact CD1-CE2 3.77Å; F167-F249 AromaticContact CD2-CD2 3.92Å; F167-F249 HydrophobicContact CD2-CD2 3.92Å; F167-F249 AromaticContact CD2-CE2 3.78Å; F167-F249 HydrophobicContact CD2-CE2 3.78Å; F167-F249 AromaticContact CE1-CE2 3.95Å; F167-F249 HydrophobicContact CE1-CE2 3.95Å; F167-F249 AromaticContact CE2-CE2 3.96Å; F167-F249 HydrophobicContact CE2-CE2 3.96Å; F167-F249 AromaticContact CG-CD2 3.55Å; F167-F249 HydrophobicContact CG-CD2 3.55Å; F167-F249 AromaticContact CG-CE2 3.67Å; F167-F249 HydrophobicContact CG-CE2 3.67Å; F167-F249 HydrophobicContact CZ-CE2 4.05Å; T240-F249 HydrophobicContact CG2-CD1 3.72Å; T240-F249 HydrophobicContact CG2-CE1 3.88Å; L241-F249 CarbonylContact O-C 3.54Å; L241-F249 VanDerWaalsContact O-CA 3.23Å; L241-F249 WeakPolarHBondContact O-CA 3.37Å; Q242-F249 HydrophobicContact CB-CD1 3.91Å; Q242-F249 HydrophobicContact CB-CE1 3.68Å; Q242-F249 HydrophobicContact CB-CZ 4.21Å; Q242-F249 HydrophobicContact CG-CD1 4.23Å; Q242-F249 HydrophobicContact CG-CE1 3.86Å; Q242-F249 HydrophobicContact CG-CE2 4.23Å; Q242-F249 HydrophobicContact CG-CZ 3.86Å; F249-Y251 HydrophobicContact CB-CD1 3.74Å; F249-Y251 HydrophobicContact CB-CE1 3.85Å; F249-V277 HydrophobicContact CE1-CG2 4.47Å; F249-I282 HydrophobicContact CE1-CD1 3.95Å; F249-I282 HydrophobicContact CZ-CD1 4.04Å
250I95.7Very high92.9Very high1 Ų132 Ų321%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-116.9106.4-178.3-61.9179.7000108.1P214 L241 V243 L256 F259 Y261 I262 L274P214-I250 HydrophobicContact CB-CG2 4.13Å; P214-I250 HydrophobicContact CG-CG2 3.79Å; L241-I250 HydrophobicContact CB-CB 4.09Å; L241-I250 HydrophobicContact CD1-CG2 4.48Å; L241-I250 PolarHBondContact O-N 3.05Å; V243-I250 HydrophobicContact CG2-CD1 4.13Å; V243-I250 HydrophobicContact CG2-CG1 4.26Å; I250-L256 HydrophobicContact CG2-CD2 4.07Å; I250-F259 HydrophobicContact CB-CD1 4.24Å; I250-F259 HydrophobicContact CB-CE1 4.23Å; I250-F259 HydrophobicContact CG1-CD1 3.99Å; I250-F259 HydrophobicContact CG1-CE1 4.47Å; I250-F259 HydrophobicContact CG1-CG 4.22Å; I250-F259 HydrophobicContact CG2-CD1 3.99Å; I250-F259 HydrophobicContact CG2-CD2 3.87Å; I250-F259 HydrophobicContact CG2-CE1 3.87Å; I250-F259 HydrophobicContact CG2-CE2 3.75Å; I250-F259 HydrophobicContact CG2-CG 3.99Å; I250-F259 HydrophobicContact CG2-CZ 3.75Å; I250-Y261 HydrophobicContact CD1-CD1 4.43Å; I250-I262 HydrophobicContact CD1-CD1 3.68Å; I250-I262 HydrophobicContact CD1-CG1 3.69Å; I250-L274 HydrophobicContact CD1-CD1 4.01Å; I250-L274 HydrophobicContact CD1-CD2 3.63Å
251Y94.7Very high92.8Very high23 Ų2333.7 Ų33.79%0.0916%0.164CC..  trans-155.2175.8-176.661.4-92.1000110.9M163 E164 F167 P168 C169 F249 F259M163-Y251 HydrophobicContact CE-CD1 3.52Å; M163-Y251 HydrophobicContact CE-CD2 3.83Å; M163-Y251 HydrophobicContact CE-CE1 3.95Å; M163-Y251 HydrophobicContact CE-CE2 4.26Å; M163-Y251 HydrophobicContact CE-CG 3.46Å; M163-Y251 VanDerWaalsContact CE-CG 3.46Å; M163-Y251 HydrophobicContact SD-CD1 4.26Å; E164-Y251 WeakPolarHBondContact CA-OH 3.15Å; E164-Y251 HydrophobicContact CG-CD2 4.45Å; E164-Y251 HydrophobicContact CG-CE2 3.58Å; F167-Y251 WeakPolarHBondContact O-CE1 3.45Å; F167-Y251 PolarHBondContact O-OH 3.04Å; P168-Y251 WeakPolarHBondContact CA-OH 3.28Å; C169-Y251 PolarHBondContact N-OH 3.5Å; C169-Y251 VanDerWaalsContact SG-CE2 3.52Å; F249-Y251 HydrophobicContact CB-CD1 3.74Å; F249-Y251 HydrophobicContact CB-CE1 3.85Å; Y251-F259 VanDerWaalsContact O-CZ 3.29Å; Y251-F259 WeakPolarHBondContact O-CZ 3.41Å
252G92.8Very high92.6Very high35 Ų3533.7 Ų33.736%0.36116%0.164SC..SBendtrans86.6-161.9177.200000113.6
253Q92.9Very high92.4Very high150 Ų15032 Ų3270%0.70116%0.156SC*.SBendtrans-104.135-168.9-58.6-63-26.300112.5
254H93.4Very high92.1Very high68 Ų6836.4 Ų36.432%0.31518%0.176SC..SBendtrans-106.2142.2177.8-62.9-74.3000110.5L171 P214 Q258 F259L171-H254 VanDerWaalsContact CD1-CE1 3.48Å; L171-H254 WeakPolarHBondContact CD1-CE1 3.46Å; L171-H254 HydrophobicContact CD2-CB 4.1Å; P214-H254 WeakPolarHBondContact CD-O 3.35Å; H254-Q258 PolarHBondContact ND1-OE1 3.41Å; H254-Q258 VanDerWaalsContact ND1-OE1 3.11Å; H254-F259 HydrophobicContact CB-CE2 3.89Å; H254-F259 HydrophobicContact CB-CZ 3.93Å
255P93.7Very high92.1Very high25 Ų2534.8 Ų34.816%0.16217%0.167CC..  trans-58.9145172.6-23.234000111.7C257 Q258 F259P255-C257 PolarHBondContact O-N 3.28Å; P255-Q258 WeakPolarHBondContact O-CB 3.39Å; P255-Q258 PolarHBondContact O-N 3.2Å; P255-F259 WeakPolarHBondContact O-CD2 3.37Å
256L94Very high92.2Very high0 Ų035.8 Ų35.80%017%0.168CC..G310 helixtrans-52.7-41.2179.4-77.3170.9000112.4Q208 S210 D212 P214 L217 I250 Q258 F259 I262Q208-L256 HydrophobicContact CB-CD1 4.32Å; S210-L256 PolarHBondContact O-N 2.89Å; D212-L256 HydrophobicContact CB-CD1 4.3Å; D212-L256 WeakPolarHBondContact O-CG 3.29Å; D212-L256 PolarHBondContact O-N 3Å; P214-L256 HydrophobicContact CG-CD2 4.43Å; L217-L256 HydrophobicContact CB-CD1 4.22Å; L217-L256 HydrophobicContact CD2-CD1 4.09Å; L217-L256 HydrophobicContact CD2-CD2 3.96Å; I250-L256 HydrophobicContact CG2-CD2 4.07Å; L256-Q258 PolarHBondContact O-N 3.18Å; L256-F259 WeakPolarHBondContact O-CD2 3.5Å; L256-F259 PolarHBondContact O-N 2.97Å; L256-I262 WeakPolarHBondContact O-CB 3.43Å; L256-I262 WeakPolarHBondContact O-CG1 3.4Å; L256-I262 VanDerWaalsContact O-CG2 3.23Å; L256-I262 WeakPolarHBondContact O-CG2 3.38Å
257C91.4Very high91.7Very high0 Ų034.2 Ų34.20%016%0.162CC..G310 helixtrans-66.9-11.8178.357.60000115.2S175 S210 Q211 P255 F263 M266S175-C257 PolarHBondContact O-SG 3.35Å; S210-C257 WeakPolarHBondContact O-CB 3.46Å; S210-C257 PolarHBondContact O-N 3.15Å; S210-C257 PolarHBondContact O-SG 3.2Å; Q211-C257 PolarHBondContact NE2-SG 2.78Å; Q211-C257 VanDerWaalsContact NE2-SG 3.36Å; P255-C257 PolarHBondContact O-N 3.28Å; C257-F263 WeakPolarHBondContact O-CD2 3.36Å; C257-M266 HydrophobicContact CB-CE 4.33Å; C257-M266 HydrophobicContact CB-SD 3.78Å
258Q92.1Very high91.3Very high37 Ų3732.9 Ų32.917%0.17316%0.161CC..G310 helixtrans-83.7-22.9177.6-163.1179.412.400112.3L171 E172 H254 P255 L256 K260L171-Q258 CarbonylContact C-O 3.43Å; L171-Q258 WeakPolarHBondContact CA-O 3.33Å; L171-Q258 HydrophobicContact CB-CG 4.28Å; L171-Q258 HydrophobicContact CD2-CG 4.32Å; E172-Q258 PolarHBondContact N-O 3.47Å; E172-Q258 WeakPolarHBondContact O-CG 3.4Å; E172-Q258 PolarHBondContact O-NE2 2.86Å; H254-Q258 PolarHBondContact ND1-OE1 3.41Å; H254-Q258 VanDerWaalsContact ND1-OE1 3.11Å; P255-Q258 WeakPolarHBondContact O-CB 3.39Å; P255-Q258 PolarHBondContact O-N 3.2Å; L256-Q258 PolarHBondContact O-N 3.18Å; Q258-K260 PolarHBondContact O-N 3.28Å
259F94.3Very high90.7Very high1 Ų135.7 Ų35.70%0.00419%0.193CC..BIsolated β-bridgetrans-68.8128.7177.8-65.6-93.2000110.4C169 E170 L171 P214 I250 Y251 H254 P255 L256 Y261 I262 F263C169-F259 HydrophobicContact CB-CE1 4.25Å; E170-F259 WeakPolarHBondContact O-CA 3.42Å; L171-F259 HydrophobicContact CD2-CD1 3.86Å; L171-F259 HydrophobicContact CD2-CE1 3.98Å; L171-F259 HydrophobicContact CD2-CG 4.16Å; L171-F259 HydrophobicContact CD2-CZ 4.38Å; P214-F259 HydrophobicContact CG-CE2 3.82Å; P214-F259 HydrophobicContact CG-CZ 3.86Å; I250-F259 HydrophobicContact CB-CD1 4.24Å; I250-F259 HydrophobicContact CB-CE1 4.23Å; I250-F259 HydrophobicContact CG1-CD1 3.99Å; I250-F259 HydrophobicContact CG1-CE1 4.47Å; I250-F259 HydrophobicContact CG1-CG 4.22Å; I250-F259 HydrophobicContact CG2-CD1 3.99Å; I250-F259 HydrophobicContact CG2-CD2 3.87Å; I250-F259 HydrophobicContact CG2-CE1 3.87Å; I250-F259 HydrophobicContact CG2-CE2 3.75Å; I250-F259 HydrophobicContact CG2-CG 3.99Å; I250-F259 HydrophobicContact CG2-CZ 3.75Å; Y251-F259 VanDerWaalsContact O-CZ 3.29Å; Y251-F259 WeakPolarHBondContact O-CZ 3.41Å; H254-F259 HydrophobicContact CB-CE2 3.89Å; H254-F259 HydrophobicContact CB-CZ 3.93Å; P255-F259 WeakPolarHBondContact O-CD2 3.37Å; L256-F259 WeakPolarHBondContact O-CD2 3.5Å; L256-F259 PolarHBondContact O-N 2.97Å; F259-Y261 VanDerWaalsContact C-N 3.27Å; F259-Y261 PolarHBondContact O-N 3.26Å; F259-I262 HydrophobicContact CB-CB 4.32Å; F259-I262 HydrophobicContact CB-CG1 3.99Å; F259-I262 PolarHBondContact O-N 3.28Å; F259-F263 WeakPolarHBondContact O-CB 3.4Å; F259-F263 PolarHBondContact O-N 2.77Å
260K92.2Very high90.3Very high65 Ų6540.4 Ų40.428%0.28321%0.214SC..Hα-helixtrans-53.5-42-174-71.4-169.4-173.3169.70113E170 L171 E172 Q258 F264E170-K260 HydrophobicContact CB-CB 4.26Å; E170-K260 HydrophobicContact CB-CD 4.11Å; E170-K260 HydrophobicContact CB-CG 4.2Å; E170-K260 PolarHBondContact O-N 2.83Å; L171-K260 WeakPolarHBondContact O-CE 3.34Å; E172-K260 HydrophobicContact CG-CG 4.01Å; Q258-K260 PolarHBondContact O-N 3.28Å; K260-F264 VanDerWaalsContact O-CB 3.25Å; K260-F264 WeakPolarHBondContact O-CB 3.35Å; K260-F264 PolarHBondContact O-N 2.93Å
261Y92.8Very high90.1Very high36 Ų3643.6 Ų43.614%0.14123%0.232CC..Hα-helixtrans-60.1-49.2175.6174.1-108.5000112.4V243 E248 I250 F259 F264 C265 P272 Q273 L274V243-Y261 HydrophobicContact CB-CD1 4.36Å; V243-Y261 HydrophobicContact CG1-CD1 3.82Å; V243-Y261 HydrophobicContact CG1-CD2 3.73Å; V243-Y261 HydrophobicContact CG1-CE1 3.78Å; V243-Y261 HydrophobicContact CG1-CE2 3.69Å; V243-Y261 HydrophobicContact CG1-CG 3.79Å; V243-Y261 HydrophobicContact CG2-CD1 3.64Å; V243-Y261 HydrophobicContact CG2-CE1 4.2Å; V243-Y261 HydrophobicContact CG2-CG 3.89Å; E248-Y261 WeakPolarHBondContact OE1-CB 3.37Å; I250-Y261 HydrophobicContact CD1-CD1 4.43Å; F259-Y261 VanDerWaalsContact C-N 3.27Å; F259-Y261 PolarHBondContact O-N 3.26Å; Y261-F264 WeakPolarHBondContact O-CB 3.23Å; Y261-F264 PolarHBondContact O-N 2.94Å; Y261-C265 PolarHBondContact O-N 3.41Å; Y261-C265 PolarHBondContact O-SG 3.32Å; Y261-C265 VanDerWaalsContact O-SG 3.36Å; Y261-P272 HydrophobicContact CE1-CB 3.9Å; Y261-Q273 PolarHBondContact OH-N 3.15Å; Y261-L274 HydrophobicContact CD1-CD2 4.14Å; Y261-L274 HydrophobicContact CE1-CD2 3.81Å
262I93.1Very high90Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-65.8-43.8179.6-56-61.2000110.8L191 I250 L256 F259 F264 C265 M266 P272 L274L191-I262 HydrophobicContact CD2-CG2 3.73Å; I250-I262 HydrophobicContact CD1-CD1 3.68Å; I250-I262 HydrophobicContact CD1-CG1 3.69Å; L256-I262 WeakPolarHBondContact O-CB 3.43Å; L256-I262 WeakPolarHBondContact O-CG1 3.4Å; L256-I262 VanDerWaalsContact O-CG2 3.23Å; L256-I262 WeakPolarHBondContact O-CG2 3.38Å; F259-I262 HydrophobicContact CB-CB 4.32Å; F259-I262 HydrophobicContact CB-CG1 3.99Å; F259-I262 PolarHBondContact O-N 3.28Å; I262-F264 VanDerWaalsContact C-N 3.3Å; I262-F264 PolarHBondContact O-N 3.09Å; I262-C265 PolarHBondContact O-N 3.28Å; I262-M266 HydrophobicContact CG2-CG 4.34Å; I262-M266 HydrophobicContact CG2-SD 4.1Å; I262-M266 WeakPolarHBondContact O-CB 3.44Å; I262-M266 WeakPolarHBondContact O-CG 3.49Å; I262-M266 PolarHBondContact O-N 3.3Å; I262-P272 HydrophobicContact CD1-CB 3.49Å; I262-P272 VanDerWaalsContact CD1-CB 3.49Å; I262-P272 HydrophobicContact CD1-CG 3.64Å; I262-P272 HydrophobicContact CG2-CG 4.37Å; I262-L274 HydrophobicContact CD1-CD1 4.41Å
263F90.1Very high90Very high4 Ų443.5 Ų43.52%0.01822%0.222CC..Hα-helixtrans-57.8-44.7176-172-84000111.2E172 P177 C257 F259 M266 R267E172-F263 HydrophobicContact CB-CD2 4.34Å; E172-F263 HydrophobicContact CG-CB 3.83Å; E172-F263 HydrophobicContact CG-CD1 3.94Å; E172-F263 HydrophobicContact CG-CD2 3.94Å; E172-F263 HydrophobicContact CG-CE1 4.48Å; E172-F263 HydrophobicContact CG-CE2 4.46Å; E172-F263 HydrophobicContact CG-CG 3.65Å; P177-F263 HydrophobicContact CB-CE2 3.86Å; P177-F263 HydrophobicContact CB-CZ 3.88Å; P177-F263 HydrophobicContact CG-CD2 3.97Å; P177-F263 HydrophobicContact CG-CE2 3.65Å; P177-F263 HydrophobicContact CG-CZ 4.13Å; C257-F263 WeakPolarHBondContact O-CD2 3.36Å; F259-F263 WeakPolarHBondContact O-CB 3.4Å; F259-F263 PolarHBondContact O-N 2.77Å; F263-M266 PolarHBondContact O-N 2.84Å; F263-R267 VanDerWaalsContact O-CB 3.3Å; F263-R267 WeakPolarHBondContact O-CB 3.21Å; F263-R267 PolarHBondContact O-N 2.86Å
264F88.3Confident90.1Very high93 Ų9336.3 Ų36.341%0.40819%0.189SC..Hα-helixtrans-60.9-46.7174.8174.3-89.4000111.9K260 Y261 I262 R267 N268K260-F264 VanDerWaalsContact O-CB 3.25Å; K260-F264 WeakPolarHBondContact O-CB 3.35Å; K260-F264 PolarHBondContact O-N 2.93Å; Y261-F264 WeakPolarHBondContact O-CB 3.23Å; Y261-F264 PolarHBondContact O-N 2.94Å; I262-F264 VanDerWaalsContact C-N 3.3Å; I262-F264 PolarHBondContact O-N 3.09Å; F264-R267 PolarHBondContact O-N 2.87Å; F264-N268 VanDerWaalsContact CD2-ND2 3.28Å; F264-N268 WeakPolarHBondContact CD2-ND2 3.34Å; F264-N268 WeakPolarHBondContact CE1-ND2 3.45Å; F264-N268 WeakPolarHBondContact CE2-ND2 3.4Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.42Å; F264-N268 PolarHBondContact O-N 3.26Å; F264-N268 PolarHBondContact O-ND2 3.01Å
265C88.8Confident90.2Very high1 Ų134.2 Ų34.21%0.00718%0.181CC..Hα-helixtrans-59.7-48.5177.1-73.20000111.4Y261 I262 R267 N268 G269 Q270 P272Y261-C265 PolarHBondContact O-N 3.41Å; Y261-C265 PolarHBondContact O-SG 3.32Å; Y261-C265 VanDerWaalsContact O-SG 3.36Å; I262-C265 PolarHBondContact O-N 3.28Å; C265-R267 VanDerWaalsContact C-N 3.3Å; C265-R267 PolarHBondContact O-N 3.36Å; C265-N268 CarbonylContact O-C 3.58Å; C265-N268 PolarHBondContact O-N 3.39Å; C265-G269 PolarHBondContact O-N 2.95Å; C265-Q270 CarbonylContact C-O 3.57Å; C265-Q270 HydrophobicContact CB-CB 4.33Å; C265-Q270 WeakPolarHBondContact CB-O 3.42Å; C265-Q270 PolarHBondContact O-N 3.1Å; C265-P272 HydrophobicContact CB-CG 3.79Å
266M87.2Confident90.3Very high39 Ų3933 Ų3319%0.19217%0.173CC..Hα-helixtrans-58.1-41.9176.9-73.9179.169.200112.3P177 K189 L191 C257 I262 F263 G269P177-M266 HydrophobicContact CG-CE 4.39Å; K189-M266 HydrophobicContact CB-CE 4.45Å; L191-M266 HydrophobicContact CD1-CG 3.74Å; L191-M266 HydrophobicContact CD1-SD 4.48Å; C257-M266 HydrophobicContact CB-CE 4.33Å; C257-M266 HydrophobicContact CB-SD 3.78Å; I262-M266 HydrophobicContact CG2-CG 4.34Å; I262-M266 HydrophobicContact CG2-SD 4.1Å; I262-M266 WeakPolarHBondContact O-CB 3.44Å; I262-M266 WeakPolarHBondContact O-CG 3.49Å; I262-M266 PolarHBondContact O-N 3.3Å; F263-M266 PolarHBondContact O-N 2.84Å; M266-G269 PolarHBondContact O-N 3.23Å
267R80.5Confident90.3Very high46 Ų4633.2 Ų33.217%0.17418%0.175CC..Hα-helixtrans-66-38179.7179.6173.7173.1163.2-7.3112.5F263 F264 C265 D804 R806 E871 Q903F263-R267 VanDerWaalsContact O-CB 3.3Å; F263-R267 WeakPolarHBondContact O-CB 3.21Å; F263-R267 PolarHBondContact O-N 2.86Å; F264-R267 PolarHBondContact O-N 2.87Å; C265-R267 VanDerWaalsContact C-N 3.3Å; C265-R267 PolarHBondContact O-N 3.36Å; R267-D804 IonicContact NH1-OD1 3.71Å; R267-D804 PolarHBondContact NH1-OD1 3.19Å; R267-D804 IonicContact NH1-OD2 3.13Å; R267-R806 VanDerWaalsContact CZ-CD 3.47Å; R267-R806 VanDerWaalsContact NH2-CG 3.29Å; R267-E871 IonicContact CZ-OE2 2.8Å; R267-E871 IonicContact NE-OE2 3.49Å; R267-E871 IonicContact NH2-OE1 3.4Å; R267-E871 IonicContact NH2-OE2 3.21Å; R267-E871 PolarHBondContact NH2-OE2 2.89Å; R267-Q903 VanDerWaalsContact NH2-NE2 3.13Å
268N79.4Confident90.4Very high51 Ų5135.6 Ų35.627%0.27319%0.185SC..THydrogen-bonded Turntrans-92.14.6-178.8-63.4-60.1000113.6F264 C265 Q270F264-N268 VanDerWaalsContact CD2-ND2 3.28Å; F264-N268 WeakPolarHBondContact CD2-ND2 3.34Å; F264-N268 WeakPolarHBondContact CE1-ND2 3.45Å; F264-N268 WeakPolarHBondContact CE2-ND2 3.4Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.42Å; F264-N268 PolarHBondContact O-N 3.26Å; F264-N268 PolarHBondContact O-ND2 3.01Å; C265-N268 CarbonylContact O-C 3.58Å; C265-N268 PolarHBondContact O-N 3.39Å; N268-Q270 HydrophobicContact CB-CG 4.14Å; N268-Q270 PolarHBondContact O-N 3.39Å
269G81.4Confident90.5Very high69 Ų6936.4 Ų36.471%0.71119%0.189SC*.THydrogen-bonded Turntrans65.527.5-177.100000113.6C265 M266C265-G269 PolarHBondContact O-N 2.95Å; M266-G269 PolarHBondContact O-N 3.23Å
270Q86.8Confident90.5Very high104 Ų10439.2 Ų39.249%0.48621%0.209SC..PPolyproline II helixtrans-98.9146.7178.1-64.9179.5-23.300110.5C265 N268C265-Q270 CarbonylContact C-O 3.57Å; C265-Q270 HydrophobicContact CB-CB 4.33Å; C265-Q270 WeakPolarHBondContact CB-O 3.42Å; C265-Q270 PolarHBondContact O-N 3.1Å; N268-Q270 HydrophobicContact CB-CG 4.14Å; N268-Q270 PolarHBondContact O-N 3.39Å
271N91.8Very high90.6Very high68 Ų6837.3 Ų37.336%0.36420%0.203SC..PPolyproline II helixtrans-84.1123.2173.9-67.1-24.9000109.5F192 Q273F192-N271 WeakPolarHBondContact O-CB 3.47Å; F192-N271 PolarHBondContact O-OD1 2.88Å; N271-Q273 PolarHBondContact O-NE2 2.85Å
272P93.9Very high90.6Very high0 Ų035.6 Ų35.60%020%0.196CC..PPolyproline II helixtrans-56.8140.9176.2-25.634.4000112.5L191 F192 V193 N194 Y261 I262 C265L191-P272 HydrophobicContact CD1-CG 3.99Å; L191-P272 HydrophobicContact CD2-CG 4.27Å; L191-P272 HydrophobicContact CG-CG 4.41Å; F192-P272 WeakPolarHBondContact O-CD 3.44Å; V193-P272 HydrophobicContact CG1-CB 4.19Å; V193-P272 HydrophobicContact CG2-CG 4.49Å; N194-P272 PolarHBondContact N-O 2.84Å; Y261-P272 HydrophobicContact CE1-CB 3.9Å; I262-P272 HydrophobicContact CD1-CB 3.49Å; I262-P272 VanDerWaalsContact CD1-CB 3.49Å; I262-P272 HydrophobicContact CD1-CG 3.64Å; I262-P272 HydrophobicContact CG2-CG 4.37Å; C265-P272 HydrophobicContact CB-CG 3.79Å
273Q92.9Very high90.6Very high56 Ų5636.8 Ų36.826%0.26221%0.205SC..EExtended strand (participates in β ladder)trans-114.7108.6180-55.4-63.6-45.800108.8N194 N244 Y261 N271N194-Q273 VanDerWaalsContact CB-OE1 3.25Å; N194-Q273 PolarHBondContact ND2-OE1 3.48Å; N244-Q273 HydrophobicContact CB-CB 4.02Å; N244-Q273 WeakPolarHBondContact CB-O 3.29Å; N244-Q273 PolarHBondContact N-O 3.36Å; N244-Q273 VanDerWaalsContact N-O 3.13Å; Y261-Q273 PolarHBondContact OH-N 3.15Å; N271-Q273 PolarHBondContact O-NE2 2.85Å
274L95Very high90.6Very high0 Ų042.7 Ų42.70%023%0.23CC..EExtended strand (participates in β ladder)trans-124.5154.9-175-54.5179.7000111.6V193 N194 I195 K196 L217 L241 Q242 V243 N244 I250 Y261 I262V193-L274 HydrophobicContact CG1-CD1 3.71Å; V193-L274 HydrophobicContact CG1-CG 4.03Å; N194-L274 PolarHBondContact O-N 3.26Å; I195-L274 CarbonylContact C-O 3.08Å; I195-L274 WeakPolarHBondContact CA-O 3.26Å; K196-L274 PolarHBondContact N-O 2.8Å; L217-L274 HydrophobicContact CD2-CD1 4Å; L241-L274 HydrophobicContact CB-CD1 4.42Å; L241-L274 HydrophobicContact CD1-CD1 4.24Å; Q242-L274 CarbonylContact O-C 3.52Å; Q242-L274 VanDerWaalsContact O-CA 3.29Å; Q242-L274 WeakPolarHBondContact O-CA 3.48Å; V243-L274 HydrophobicContact CG2-CD2 4.03Å; N244-L274 WeakPolarHBondContact OD1-CA 3.45Å; I250-L274 HydrophobicContact CD1-CD1 4.01Å; I250-L274 HydrophobicContact CD1-CD2 3.63Å; Y261-L274 HydrophobicContact CD1-CD2 4.14Å; Y261-L274 HydrophobicContact CE1-CD2 3.81Å; I262-L274 HydrophobicContact CD1-CD1 4.41Å
275T94.8Very high90.6Very high23 Ų2343 Ų4314%0.14123%0.229CC..EExtended strand (participates in β ladder)trans-118.4128.6172.3-63.30000109.9K196 L241 Q242 N244 V277K196-T275 CarbonylContact O-C 3.58Å; K196-T275 WeakPolarHBondContact O-CA 3.33Å; L241-T275 WeakPolarHBondContact CA-O 3.39Å; Q242-T275 PolarHBondContact N-O 2.95Å; Q242-T275 PolarHBondContact O-N 2.91Å; N244-T275 PolarHBondContact OD1-N 3.2Å; N244-T275 VanDerWaalsContact OD1-N 3.12Å; N244-T275 PolarHBondContact OD1-OG1 2.86Å; T275-V277 HydrophobicContact CG2-CG2 4.19Å; T275-V277 PolarHBondContact O-N 2.95Å
276M94.9Very high90.7Very high1 Ų144 Ų441%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-73.4116.8168.2-75.7-95.7-62.500109.4I195 K196 F197 E198 M218 A221 L222 Y239 L241I195-M276 HydrophobicContact CG2-CB 4.38Å; I195-M276 HydrophobicContact CG2-CG 3.4Å; I195-M276 VanDerWaalsContact CG2-CG 3.4Å; K196-M276 PolarHBondContact O-N 3.24Å; F197-M276 HydrophobicContact CD1-CB 3.68Å; F197-M276 HydrophobicContact CD1-CE 4.18Å; F197-M276 HydrophobicContact CD1-CG 4.15Å; F197-M276 HydrophobicContact CE1-CB 3.87Å; F197-M276 HydrophobicContact CE1-CE 3.29Å; F197-M276 HydrophobicContact CE1-CG 3.87Å; F197-M276 HydrophobicContact CE1-SD 4.37Å; F197-M276 HydrophobicContact CG-CB 4.23Å; F197-M276 HydrophobicContact CZ-CE 3.81Å; F197-M276 HydrophobicContact CZ-CG 4.09Å; E198-M276 PolarHBondContact N-O 2.97Å; E198-M276 VanDerWaalsContact N-O 3.1Å; M218-M276 HydrophobicContact CB-SD 4.11Å; M218-M276 HydrophobicContact CG-SD 3.92Å; A221-M276 HydrophobicContact CB-CE 4.41Å; A221-M276 HydrophobicContact CB-CG 4.34Å; A221-M276 HydrophobicContact CB-SD 4.04Å; L222-M276 HydrophobicContact CD1-CE 4.22Å; L222-M276 HydrophobicContact CD2-CE 3.43Å; L222-M276 VanDerWaalsContact CD2-CE 3.43Å; L222-M276 HydrophobicContact CG-CE 3.54Å; Y239-M276 HydrophobicContact CD1-CE 3.82Å; Y239-M276 HydrophobicContact CD2-CE 4.25Å; Y239-M276 HydrophobicContact CE1-CE 4.35Å; Y239-M276 HydrophobicContact CG-CE 3.78Å; L241-M276 HydrophobicContact CD2-CG 4.03Å; L241-M276 HydrophobicContact CD2-SD 3.94Å
277V94.5Very high90.6Very high4 Ų447.2 Ų47.22%0.02425%0.249CC..EExtended strand (participates in β ladder)trans-113.7132.2-178.8-179.30000109.4Y239 T240 Q242 F249 T275 T281 I282Y239-V277 WeakPolarHBondContact CA-O 3.34Å; Y239-V277 WeakPolarHBondContact CD1-O 3.39Å; T240-V277 HydrophobicContact CG2-CB 4Å; T240-V277 PolarHBondContact N-O 3.43Å; T240-V277 PolarHBondContact O-N 3.41Å; Q242-V277 HydrophobicContact CB-CG2 3.82Å; F249-V277 HydrophobicContact CE1-CG2 4.47Å; T275-V277 HydrophobicContact CG2-CG2 4.19Å; T275-V277 PolarHBondContact O-N 2.95Å; V277-T281 HydrophobicContact CG1-CG2 4.12Å; V277-I282 HydrophobicContact CG1-CD1 4.2Å
278H94.4Very high90.7Very high49 Ų4948.7 Ų48.723%0.22726%0.26CS..EExtended strand (participates in β ladder)trans-81.5148179.2-172.3-106.6000111.4E198 Y239 S280 T281E198-H278 PolarHBondContact OE2-N 2.87Å; Y239-H278 HydrophobicContact CD1-CB 4.25Å; Y239-H278 HydrophobicContact CE1-CB 3.84Å; Y239-H278 AromaticContact CE1-CD2 3.79Å; Y239-H278 AromaticContact CE2-CD2 3.99Å; Y239-H278 AromaticContact CZ-CD2 3.56Å; H278-S280 WeakPolarHBondContact ND1-CB 3.36Å; H278-S280 PolarHBondContact ND1-N 2.95Å; H278-S280 PolarHBondContact ND1-OG 2.94Å; H278-S280 PolarHBondContact O-N 2.78Å; H278-T281 PolarHBondContact O-N 3.39Å
279H94.1Very high90.6Very high54 Ų5446.8 Ų46.825%0.2525%0.249CC..Hα-helixtrans-58.8-25.5-177.480.390.1000113.6W159 D238 T281 I282 S283W159-H279 HydrophobicContact CD2-CB 3.63Å; W159-H279 HydrophobicContact CE3-CB 4.05Å; W159-H279 HydrophobicContact CG-CB 4.12Å; W159-H279 HydrophobicContact CH2-CB 4.03Å; W159-H279 HydrophobicContact CZ2-CB 3.6Å; W159-H279 HydrophobicContact CZ3-CB 4.23Å; D238-H279 WeakPolarHBondContact O-CB 3.35Å; D238-H279 PolarHBondContact O-N 3.35Å; H279-T281 VanDerWaalsContact C-N 3.26Å; H279-T281 PolarHBondContact O-N 2.97Å; H279-I282 PolarHBondContact O-N 3.04Å; H279-S283 WeakPolarHBondContact O-CB 3.47Å; H279-S283 PolarHBondContact O-N 3.12Å; H279-S283 PolarHBondContact O-OG 2.86Å
280S93.9Very high90.1Very high61 Ų6144.2 Ų44.243%0.42722%0.223SC..Hα-helixtrans-60.7-34.417660.40000112.6H278 S283 K284H278-S280 WeakPolarHBondContact ND1-CB 3.36Å; H278-S280 PolarHBondContact ND1-N 2.95Å; H278-S280 PolarHBondContact ND1-OG 2.94Å; H278-S280 PolarHBondContact O-N 2.78Å; S280-S283 PolarHBondContact O-N 3.42Å; S280-K284 WeakPolarHBondContact O-CB 3.48Å; S280-K284 PolarHBondContact O-N 3Å
281T93.1Very high89.3Confident24 Ų2446.8 Ų46.815%0.14723%0.228CC..Hα-helixtrans-69.2-42.3177.2-610000110.7E198 V277 H278 H279 K284 Y285E198-T281 VanDerWaalsContact CD-OG1 3.23Å; E198-T281 WeakPolarHBondContact OE1-CB 3.24Å; E198-T281 VanDerWaalsContact OE1-CG2 3.26Å; E198-T281 WeakPolarHBondContact OE1-CG2 3.38Å; E198-T281 PolarHBondContact OE1-OG1 3.38Å; E198-T281 PolarHBondContact OE2-OG1 2.85Å; E198-T281 VanDerWaalsContact OE2-OG1 3.06Å; V277-T281 HydrophobicContact CG1-CG2 4.12Å; H278-T281 PolarHBondContact O-N 3.39Å; H279-T281 VanDerWaalsContact C-N 3.26Å; H279-T281 PolarHBondContact O-N 2.97Å; T281-K284 WeakPolarHBondContact O-CB 3.37Å; T281-K284 PolarHBondContact O-N 3.43Å; T281-Y285 HydrophobicContact CG2-CE2 3.9Å; T281-Y285 WeakPolarHBondContact O-CD2 3.44Å; T281-Y285 PolarHBondContact O-N 3.16Å; T281-Y285 VanDerWaalsContact O-N 3.11Å
282I92.9Very high88Confident0 Ų045.2 Ų45.20%022%0.221CC..Hα-helixtrans-64.4-42.7174.7-53.7-56.1000110.9W159 W162 M163 T240 F249 V277 H279 K284 Y285 Q286W159-I282 HydrophobicContact CE3-CB 4.22Å; W159-I282 HydrophobicContact CE3-CG1 4.39Å; W159-I282 HydrophobicContact CE3-CG2 4.13Å; W162-I282 HydrophobicContact CE3-CG2 3.91Å; W162-I282 HydrophobicContact CZ3-CG2 3.92Å; M163-I282 HydrophobicContact CB-CG2 4.11Å; M163-I282 HydrophobicContact CG-CG2 4.48Å; T240-I282 HydrophobicContact CG2-CD1 4.38Å; T240-I282 HydrophobicContact CG2-CG1 4.31Å; F249-I282 HydrophobicContact CE1-CD1 3.95Å; F249-I282 HydrophobicContact CZ-CD1 4.04Å; V277-I282 HydrophobicContact CG1-CD1 4.2Å; H279-I282 PolarHBondContact O-N 3.04Å; I282-K284 VanDerWaalsContact C-N 3.3Å; I282-K284 PolarHBondContact O-N 2.74Å; I282-Y285 HydrophobicContact CD1-CD2 4.31Å; I282-Y285 HydrophobicContact CD1-CE2 4.46Å; I282-Y285 WeakPolarHBondContact O-CB 3.49Å; I282-Y285 PolarHBondContact O-N 2.95Å; I282-Y285 VanDerWaalsContact O-N 3.15Å; I282-Q286 PolarHBondContact O-N 2.99Å
283S93.1Very high86.6Confident26 Ų2645.5 Ų45.518%0.18222%0.223CC..Hα-helixtrans-62.8-38.1177.7-53.40000111.2H279 S280 Q286 E287H279-S283 WeakPolarHBondContact O-CB 3.47Å; H279-S283 PolarHBondContact O-N 3.12Å; H279-S283 PolarHBondContact O-OG 2.86Å; S280-S283 PolarHBondContact O-N 3.42Å; S283-Q286 WeakPolarHBondContact O-CB 3.41Å; S283-Q286 PolarHBondContact O-N 3.37Å; S283-E287 WeakPolarHBondContact O-CG 3.39Å; S283-E287 PolarHBondContact O-N 3.05Å
284K91.4Very high85Confident128 Ų12845.1 Ų45.156%0.55723%0.227SC*.Hα-helixtrans-62-43.8173-173.3-179.7178.2-176.40112S280 T281 I282 Q286 E287 D288S280-K284 WeakPolarHBondContact O-CB 3.48Å; S280-K284 PolarHBondContact O-N 3Å; T281-K284 WeakPolarHBondContact O-CB 3.37Å; T281-K284 PolarHBondContact O-N 3.43Å; I282-K284 VanDerWaalsContact C-N 3.3Å; I282-K284 PolarHBondContact O-N 2.74Å; K284-Q286 VanDerWaalsContact C-N 3.29Å; K284-Q286 PolarHBondContact O-N 2.86Å; K284-E287 PolarHBondContact O-N 3.26Å; K284-D288 WeakPolarHBondContact O-CB 3.41Å; K284-D288 PolarHBondContact O-N 2.76Å
285Y88.4Confident83.3Confident99 Ų9951.7 Ų51.739%0.38826%0.257SS..Hα-helixtrans-60.1-40.5173.3-61.7-36.2000111.9T281 I282 Q289T281-Y285 HydrophobicContact CG2-CE2 3.9Å; T281-Y285 WeakPolarHBondContact O-CD2 3.44Å; T281-Y285 PolarHBondContact O-N 3.16Å; T281-Y285 VanDerWaalsContact O-N 3.11Å; I282-Y285 HydrophobicContact CD1-CD2 4.31Å; I282-Y285 HydrophobicContact CD1-CE2 4.46Å; I282-Y285 WeakPolarHBondContact O-CB 3.49Å; I282-Y285 PolarHBondContact O-N 2.95Å; I282-Y285 VanDerWaalsContact O-N 3.15Å; Y285-Q289 VanDerWaalsContact O-CG 3.3Å; Y285-Q289 WeakPolarHBondContact O-CG 3.39Å; Y285-Q289 PolarHBondContact O-N 3.17Å
286Q89.5Confident81.6Confident22 Ų2252 Ų5210%0.10326%0.257CS..Hα-helixtrans-63.3-46.2175.2179.7172.45.400112.1Q155 L157 W162 I282 S283 K284 Q289 G290Q155-Q286 PolarHBondContact O-NE2 2.85Å; Q155-Q286 PolarHBondContact OE1-O 3.48Å; L157-Q286 PolarHBondContact O-NE2 2.76Å; W162-Q286 HydrophobicContact CD2-CB 3.77Å; W162-Q286 HydrophobicContact CD2-CG 3.96Å; W162-Q286 HydrophobicContact CE3-CB 4.11Å; W162-Q286 HydrophobicContact CG-CB 4.18Å; W162-Q286 HydrophobicContact CG-CG 3.85Å; W162-Q286 HydrophobicContact CH2-CB 4.24Å; W162-Q286 VanDerWaalsContact CZ2-CA 3.42Å; W162-Q286 HydrophobicContact CZ2-CB 3.86Å; W162-Q286 HydrophobicContact CZ2-CG 4.43Å; W162-Q286 HydrophobicContact CZ3-CB 4.35Å; I282-Q286 PolarHBondContact O-N 2.99Å; S283-Q286 WeakPolarHBondContact O-CB 3.41Å; S283-Q286 PolarHBondContact O-N 3.37Å; K284-Q286 VanDerWaalsContact C-N 3.29Å; K284-Q286 PolarHBondContact O-N 2.86Å; Q286-Q289 WeakPolarHBondContact O-CB 3.41Å; Q286-Q289 PolarHBondContact O-N 3.43Å; Q286-G290 PolarHBondContact O-N 3.22Å
287E86.6Confident80Confident107 Ų10754.4 Ų54.450%0.527%0.267SS..Hα-helixtrans-62.5-43.7177.6-74.4177.5-157.400112.7S283 K284 Q289 G290 R291S283-E287 WeakPolarHBondContact O-CG 3.39Å; S283-E287 PolarHBondContact O-N 3.05Å; K284-E287 PolarHBondContact O-N 3.26Å; E287-Q289 PolarHBondContact O-N 3.32Å; E287-G290 PolarHBondContact O-N 3.37Å; E287-G290 VanDerWaalsContact O-N 3.08Å; E287-R291 WeakPolarHBondContact O-CG 3.24Å; E287-R291 PolarHBondContact O-N 2.85Å
288D81.7Confident78Confident77 Ų7762.2 Ų62.241%0.41230%0.301SS..Hα-helixtrans-61.6-34.7177.5-73.7-22.3000111.1K284K284-D288 WeakPolarHBondContact O-CB 3.41Å; K284-D288 PolarHBondContact O-N 2.76Å
289Q78.6Confident75.8Confident10 Ų1064 Ų645%0.04732%0.315CS..Hα-helixtrans-70.6-43.3170.3-67.1-169.418.400112.6W162 Y285 Q286 E287 R291 V292 C293 H679W162-Q289 HydrophobicContact CZ2-CG 4.13Å; W162-Q289 VanDerWaalsContact CZ2-NE2 3.29Å; Y285-Q289 VanDerWaalsContact O-CG 3.3Å; Y285-Q289 WeakPolarHBondContact O-CG 3.39Å; Y285-Q289 PolarHBondContact O-N 3.17Å; Q286-Q289 WeakPolarHBondContact O-CB 3.41Å; Q286-Q289 PolarHBondContact O-N 3.43Å; E287-Q289 PolarHBondContact O-N 3.32Å; Q289-R291 PolarHBondContact O-N 2.72Å; Q289-V292 PolarHBondContact O-N 3.19Å; Q289-C293 PolarHBondContact O-N 3.17Å; Q289-H679 HydrophobicContact CB-CB 4.3Å; Q289-H679 HydrophobicContact CG-CB 3.83Å; Q289-H679 VanDerWaalsContact CG-CG 3.41Å; Q289-H679 PolarHBondContact NE2-CE1 3.01Å; Q289-H679 VanDerWaalsContact NE2-CE1 3.35Å; Q289-H679 PolarHBondContact NE2-ND1 3.09Å; Q289-H679 VanDerWaalsContact NE2-ND1 3.2Å
290G70.8Confident73.9Confident16 Ų1667.7 Ų67.717%0.16533%0.327CS..Hα-helixtrans-67-33-177.700000114.1Q286 E287 V292 C293 S294Q286-G290 PolarHBondContact O-N 3.22Å; E287-G290 PolarHBondContact O-N 3.37Å; E287-G290 VanDerWaalsContact O-N 3.08Å; G290-V292 VanDerWaalsContact C-N 3.31Å; G290-V292 PolarHBondContact O-N 2.87Å; G290-C293 PolarHBondContact O-N 3.5Å; G290-S294 WeakPolarHBondContact O-CB 3.48Å; G290-S294 PolarHBondContact O-N 2.67Å; G290-S294 PolarHBondContact O-OG 3.44Å
291R68.8Low71.4Confident157 Ų15769.9 Ų69.959%0.59234%0.342SS*.Hα-helixtrans-61.3-39.9174.9-73.9178-169.7-152.14.6112.1E287 Q289 S294 Q295E287-R291 WeakPolarHBondContact O-CG 3.24Å; E287-R291 PolarHBondContact O-N 2.85Å; Q289-R291 PolarHBondContact O-N 2.72Å; R291-S294 PolarHBondContact O-OG 2.87Å; R291-Q295 WeakPolarHBondContact O-CG 3.44Å; R291-Q295 PolarHBondContact O-N 2.91Å
292V65.6Low69Low35 Ų3575.9 Ų75.921%0.21237%0.372CS..Hα-helixtrans-67-44176.9-178.30000110.8Q289 G290 I678Q289-V292 PolarHBondContact O-N 3.19Å; G290-V292 VanDerWaalsContact C-N 3.31Å; G290-V292 PolarHBondContact O-N 2.87Å; V292-I678 HydrophobicContact CG1-CG2 3.62Å
293C63.7Low66.6Low7 Ų781.3 Ų81.35%0.04741%0.411CS..Hα-helixtrans-67.7-44.1178.4-74.60000113.3Q289 G290 Q295 M296 Y297Q289-C293 PolarHBondContact O-N 3.17Å; G290-C293 PolarHBondContact O-N 3.5Å; C293-Q295 PolarHBondContact O-N 3.43Å; C293-M296 WeakPolarHBondContact O-CB 3.47Å; C293-M296 PolarHBondContact O-N 3.27Å; C293-M296 VanDerWaalsContact O-N 3.09Å; C293-Y297 HydrophobicContact CB-CD2 4.22Å; C293-Y297 HydrophobicContact CB-CE2 3.8Å; C293-Y297 WeakPolarHBondContact O-CD2 3.41Å; C293-Y297 PolarHBondContact O-N 3.46Å
294S58.7Low64.5Low48 Ų4888.9 Ų88.934%0.33644%0.435SS..Hα-helixtrans-71.3-28.6-17457.40000114.1G290 R291 M296 K298G290-S294 WeakPolarHBondContact O-CB 3.48Å; G290-S294 PolarHBondContact O-N 2.67Å; G290-S294 PolarHBondContact O-OG 3.44Å; R291-S294 PolarHBondContact O-OG 2.87Å; S294-M296 PolarHBondContact O-N 3.09Å; S294-K298 VanDerWaalsContact O-CG 3.29Å; S294-K298 WeakPolarHBondContact O-CG 3.32Å; S294-K298 PolarHBondContact O-N 2.88Å
295Q60.5Low62.2Low138 Ų13888 Ų8865%0.64544%0.442SS*.Hα-helixtrans-63.1-27.6169.9-76.5178-11.600112.2R291 C293R291-Q295 WeakPolarHBondContact O-CG 3.44Å; R291-Q295 PolarHBondContact O-N 2.91Å; C293-Q295 PolarHBondContact O-N 3.43Å
296M59.4Low60.1Low28 Ų2888.5 Ų88.514%0.13846%0.458CS..Hα-helixtrans-87.4-39-176.9-66.6-17566.200113.6S109 T113 C293 S294 I678S109-M296 VanDerWaalsContact OG-CG 3.24Å; S109-M296 WeakPolarHBondContact OG-CG 3.4Å; T113-M296 HydrophobicContact CG2-CE 3.85Å; T113-M296 WeakPolarHBondContact OG1-CE 3.25Å; C293-M296 WeakPolarHBondContact O-CB 3.47Å; C293-M296 PolarHBondContact O-N 3.27Å; C293-M296 VanDerWaalsContact O-N 3.09Å; S294-M296 PolarHBondContact O-N 3.09Å; M296-I678 HydrophobicContact CE-CD1 4.01Å; M296-I678 HydrophobicContact CE-CG1 4.48Å; M296-I678 HydrophobicContact SD-CD1 3.4Å; M296-I678 WeakPolarHBondContact SD-CD1 3.47Å; M296-I678 HydrophobicContact SD-CG1 4.04Å; M296-I678 HydrophobicContact SD-CG2 4.07Å
297Y61.6Low58.1Low53 Ų5393.6 Ų93.621%0.20849%0.493CS..Hα-helixtrans-83.4-18.8-174.6-58.8-51000114E148 C293 T299 R675E148-Y297 HydrophobicContact CB-CD1 4.5Å; E148-Y297 HydrophobicContact CB-CE1 3.78Å; E148-Y297 HydrophobicContact CG-CD1 4.43Å; E148-Y297 HydrophobicContact CG-CE1 3.52Å; C293-Y297 HydrophobicContact CB-CD2 4.22Å; C293-Y297 HydrophobicContact CB-CE2 3.8Å; C293-Y297 WeakPolarHBondContact O-CD2 3.41Å; C293-Y297 PolarHBondContact O-N 3.46Å; Y297-T299 PolarHBondContact O-N 3.31Å; Y297-R675 PolarHBondContact OH-O 3.22Å
298K51.2Low55.8Low168 Ų16896.1 Ų96.173%0.7351%0.509SS*.THydrogen-bonded Turntrans-66.8-21.4178.4-80.7178.3179.6-178.60113.8S294 R300S294-K298 VanDerWaalsContact O-CG 3.29Å; S294-K298 WeakPolarHBondContact O-CG 3.32Å; S294-K298 PolarHBondContact O-N 2.88Å; K298-R300 VanDerWaalsContact C-N 3.31Å; K298-R300 PolarHBondContact O-N 3.13Å
299T48.9Very low53.9Low86 Ų8698 Ų9853%0.52853%0.525SS..THydrogen-bonded Turntrans-79.3-7.6-175.1-27.90000114D107 Y297D107-T299 PolarHBondContact OD2-OG1 2.89Å; Y297-T299 PolarHBondContact O-N 3.31Å
300R53.8Low52.4Low131 Ų131105.8 Ų105.849%0.49457%0.566SS.*  trans-127.38.1-167.7-80.7-174.5175.2-170.20.4117.1E110 R144 K298 L302E110-R300 IonicContact OE1-CZ 3.75Å; E110-R300 IonicContact OE1-NH1 2.63Å; E110-R300 IonicContact OE1-NH2 3.74Å; E110-R300 PolarHBondContact OE1-NH2 3.39Å; E110-R300 IonicContact OE2-CZ 2.75Å; E110-R300 IonicContact OE2-NE 2.78Å; E110-R300 IonicContact OE2-NH2 3.36Å; E110-R300 PolarHBondContact OE2-NH2 3.27Å; R144-R300 VanDerWaalsContact NH1-NH1 3.18Å; K298-R300 VanDerWaalsContact C-N 3.31Å; K298-R300 PolarHBondContact O-N 3.13Å; R300-L302 PolarHBondContact O-N 3.27Å
301S40.9Very low51.1Low108 Ų108113.8 Ų113.876%0.75560%0.596SS**SBendtrans-69.84.3175.9720000114.5
302L42.8Very low50Low149 Ų149116.3 Ų116.378%0.7861%0.612SS**SBendtrans-118.3120.3178.7-73.3160.9000111R300R300-L302 PolarHBondContact O-N 3.27Å
303S43.6Very low49.3Very low115 Ų115120.3 Ų120.380%0.80463%0.628SS**  trans82.583.4169.574.20000117.8
304R48.6Very low48.9Very low185 Ų185125.9 Ų125.970%0.69866%0.657SS**  trans-107.1119.7136.7-86.5-174.3178.1174.43.7108.1T145T145-R304 PolarHBondContact OG1-NH2 3.43Å
305P42.7Very low49.1Very low109 Ų109127.5 Ų127.571%0.70867%0.666SS**PPolyproline II helixtrans-60.4148.2163.725.5-30.2000108.7
306P44.8Very low49.4Very low110 Ų110123.1 Ų123.171%0.71465%0.65SS**PPolyproline II helixtrans-52.2145.2174.7-20.930000110.1L308P306-L308 PolarHBondContact O-N 3.49Å; P306-L308 VanDerWaalsContact O-N 3.1Å
307P46.1Very low50.4Low128 Ų128124.3 Ų124.383%0.83166%0.661SS**PPolyproline II helixtrans-52.7124.9169.422.3-30.7000108.2
308L39.6Very low51.6Low161 Ų161121.8 Ų121.884%0.84365%0.651SS**PPolyproline II helixtrans-54.6134.8174.5-75.4164.8000107.7P306 L310P306-L308 PolarHBondContact O-N 3.49Å; P306-L308 VanDerWaalsContact O-N 3.1Å; L308-L310 PolarHBondContact O-N 3.01Å; L308-L310 VanDerWaalsContact O-N 3.13Å
309P41.7Very low53.3Low115 Ų115116.4 Ų116.475%0.74763%0.626SS**PPolyproline II helixtrans-53.3126.6175-9.614.3000108.4K311P309-K311 PolarHBondContact O-N 3.24Å
310L46.8Very low55.1Low174 Ų174115.5 Ų115.591%0.91162%0.623SS**  trans-52.8109.5169.8-77.5158.5000106.9L308 K312L308-L310 PolarHBondContact O-N 3.01Å; L308-L310 VanDerWaalsContact O-N 3.13Å; L310-K312 PolarHBondContact O-N 3.11Å
311K44Very low56.9Low184 Ų184109.3 Ų109.380%0.860%0.6SS**  trans-51.6131.4169.5-94-177.8174.1178.40106.3P309 Q313P309-K311 PolarHBondContact O-N 3.24Å; K311-Q313 PolarHBondContact O-N 3.3Å
312K44.1Very low59.3Low211 Ų211109.3 Ų109.392%0.91759%0.591SS**  trans-54.992.9165.8-82.3-178175.3179.60107.3L310L310-K312 PolarHBondContact O-N 3.11Å
313Q52.8Low61.7Low118 Ų118106.4 Ų106.455%0.55157%0.574SS**  trans-76.5133.1171.7-72.1-176.71.700106.1K311 T315K311-Q313 PolarHBondContact O-N 3.3Å; Q313-T315 HydrophobicContact CB-CG2 4.02Å; Q313-T315 PolarHBondContact O-N 2.98Å
314N55Low64.1Low124 Ų124103.4 Ų103.466%0.66355%0.552SS**  trans-65.291.8167.8-72.6-21.6000107.2H483N314-H483 WeakPolarHBondContact O-CB 2.97Å; N314-H483 PolarHBondContact O-CD2 3.29Å
315T62Low66.5Low83 Ų8394.6 Ų94.651%0.50952%0.519SS..PPolyproline II helixtrans-97.7130.6178.754.20000109.6Q313 Y486Q313-T315 HydrophobicContact CB-CG2 4.02Å; Q313-T315 PolarHBondContact O-N 2.98Å; T315-Y486 HydrophobicContact CG2-CD2 3.95Å; T315-Y486 HydrophobicContact CG2-CE2 3.86Å
316S67.9Low69.1Low45 Ų4591.5 Ų91.532%0.31549%0.493SS..EExtended strand (participates in β ladder)trans-94.1138.2170.4-65.90000109.9L485S316-L485 WeakPolarHBondContact O-CD2 3.31Å
317S80.3Confident71.6Confident53 Ų5386.2 Ų86.237%0.37146%0.459SS..EExtended strand (participates in β ladder)trans-71.5136.7176.81750000111.1W319 S320 P488S317-W319 PolarHBondContact O-N 3.29Å; S317-W319 PolarHBondContact OG-N 3.46Å; S317-S320 WeakPolarHBondContact O-CB 3.5Å; S317-S320 PolarHBondContact O-N 3.49Å; S317-S320 VanDerWaalsContact O-N 3.15Å; S317-S320 PolarHBondContact O-OG 3.16Å; S317-P488 WeakPolarHBondContact OG-CG 3.38Å
318L86.3Confident74.1Confident0 Ų082.6 Ų82.60%043%0.431CS..G310 helixtrans-51.2-38.7172.8-173.479.1000112.2S320 I321 V383 F428 L434 Y486 Y487L318-S320 PolarHBondContact O-N 3.17Å; L318-S320 VanDerWaalsContact O-N 3.12Å; L318-I321 WeakPolarHBondContact O-CB 3.45Å; L318-I321 PolarHBondContact O-N 3.25Å; L318-I321 VanDerWaalsContact O-N 3.08Å; L318-V383 HydrophobicContact CD1-CG1 3.48Å; L318-V383 VanDerWaalsContact CD1-CG1 3.48Å; L318-V383 HydrophobicContact CG-CG1 4.18Å; L318-F428 HydrophobicContact CD1-CE1 4.01Å; L318-F428 HydrophobicContact CD1-CZ 4.22Å; L318-F428 HydrophobicContact CD2-CE1 3.8Å; L318-F428 HydrophobicContact CD2-CZ 3.56Å; L318-L434 HydrophobicContact CD1-CB 4.47Å; L318-L434 HydrophobicContact CD1-CD2 4.09Å; L318-Y486 WeakPolarHBondContact CB-O 3.3Å; L318-Y486 PolarHBondContact N-O 3.34Å; L318-Y487 HydrophobicContact CD2-CD2 3.84Å; L318-Y487 HydrophobicContact CD2-CE2 4.4Å
319W86.8Confident76.9Confident56 Ų5674.9 Ų74.921%0.21239%0.39CS..G310 helixtrans-69.2-9.6-175.8-66.1-16.1000115.1S317 S384 P488 L490 T493 R560 V564S317-W319 PolarHBondContact O-N 3.29Å; S317-W319 PolarHBondContact OG-N 3.46Å; W319-S384 VanDerWaalsContact CD1-O 3.29Å; W319-P488 HydrophobicContact CD2-CB 4.26Å; W319-P488 HydrophobicContact CD2-CG 3.65Å; W319-P488 HydrophobicContact CE3-CB 4.29Å; W319-P488 HydrophobicContact CE3-CG 4.07Å; W319-P488 HydrophobicContact CG-CG 3.93Å; W319-P488 HydrophobicContact CH2-CB 4.27Å; W319-P488 HydrophobicContact CZ2-CB 4.2Å; W319-P488 HydrophobicContact CZ2-CG 4.24Å; W319-P488 HydrophobicContact CZ3-CB 4.3Å; W319-L490 HydrophobicContact CH2-CD2 3.62Å; W319-L490 HydrophobicContact CZ2-CD2 3.53Å; W319-T493 HydrophobicContact CH2-CG2 3.61Å; W319-T493 HydrophobicContact CZ3-CG2 3.5Å; W319-T493 VanDerWaalsContact CZ3-CG2 3.5Å; W319-R560 PolarHBondContact O-NH1 3.26Å; W319-V564 HydrophobicContact CH2-CG2 3.64Å; W319-V564 HydrophobicContact CZ2-CG2 3.84Å
320S86.6Confident79.5Confident66 Ų6670.3 Ų70.346%0.46236%0.36SS..G310 helixtrans-78.9-7.2172.367.80000113.5S317 L318S317-S320 WeakPolarHBondContact O-CB 3.5Å; S317-S320 PolarHBondContact O-N 3.49Å; S317-S320 VanDerWaalsContact O-N 3.15Å; S317-S320 PolarHBondContact O-OG 3.16Å; L318-S320 PolarHBondContact O-N 3.17Å; L318-S320 VanDerWaalsContact O-N 3.12Å
321I90.4Very high81.9Confident1 Ų164.7 Ų64.71%0.00533%0.329CS..  trans-102.793.3-173.9-48.7-57000110.4L318 E323 V383 S384 I480 R481 L485L318-I321 WeakPolarHBondContact O-CB 3.45Å; L318-I321 PolarHBondContact O-N 3.25Å; L318-I321 VanDerWaalsContact O-N 3.08Å; I321-E323 HydrophobicContact CG2-CB 4.11Å; I321-E323 HydrophobicContact CG2-CG 4.44Å; I321-E323 PolarHBondContact O-N 3.31Å; I321-V383 HydrophobicContact CB-CB 4.02Å; I321-V383 HydrophobicContact CB-CG1 3.93Å; I321-V383 HydrophobicContact CG1-CG1 4.48Å; I321-V383 HydrophobicContact CG2-CB 3.7Å; I321-V383 HydrophobicContact CG2-CG1 3.91Å; I321-V383 HydrophobicContact CG2-CG2 4.09Å; I321-S384 WeakPolarHBondContact O-CB 3.18Å; I321-S384 PolarHBondContact O-N 3.16Å; I321-S384 PolarHBondContact O-OG 3.45Å; I321-I480 HydrophobicContact CD1-CG2 4.28Å; I321-I480 HydrophobicContact CG2-CD1 4.38Å; I321-I480 HydrophobicContact CG2-CG2 3.87Å; I321-R481 HydrophobicContact CD1-CG 4.01Å; I321-L485 HydrophobicContact CG1-CD1 4.05Å
322N91.4Very high84.4Confident108 Ų10856 Ų5658%0.57829%0.291SS*.  trans-92.245.6175.5-59.2-27.2000111.3S384N322-S384 PolarHBondContact OD1-OG 3.21Å
323E93.3Very high86.9Confident89 Ų8946.6 Ų46.642%0.41625%0.252SS..SBendtrans-114.6147.8177.2-66.2174.1-159.800109.4I321 N382 V383I321-E323 HydrophobicContact CG2-CB 4.11Å; I321-E323 HydrophobicContact CG2-CG 4.44Å; I321-E323 PolarHBondContact O-N 3.31Å; E323-N382 CarbonylContact O-C 2.98Å; E323-N382 WeakPolarHBondContact O-CA 3.32Å; E323-V383 WeakPolarHBondContact O-CG2 3.46Å; E323-V383 PolarHBondContact O-N 3.42Å
324P95.8Very high88.9Confident52 Ų5244.5 Ų44.534%0.33824%0.242SC..EExtended strand (participates in β ladder)trans-59.3138.8174.7-23.733.6000112.2E378 I381P324-E378 HydrophobicContact CB-CG 3.97Å; P324-I381 WeakPolarHBondContact CA-O 3.24Å
325F97.4Very high90.8Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-72.9136.4173.7178.2-98000110.6I327 L349 F379 I381 V383 L386 V427 L434 F477F325-I327 HydrophobicContact CE1-CG2 3.82Å; F325-I327 HydrophobicContact CZ-CG2 3.68Å; F325-L349 HydrophobicContact CD1-CD1 3.72Å; F325-L349 HydrophobicContact CD1-CD2 4.5Å; F325-L349 HydrophobicContact CE1-CD1 4.12Å; F325-L349 HydrophobicContact CE1-CD2 4.1Å; F325-F379 HydrophobicContact CD1-CB 4.43Å; F325-F379 AromaticContact CD1-CD2 3.72Å; F325-F379 HydrophobicContact CD1-CD2 3.72Å; F325-F379 HydrophobicContact CD1-CE2 4.37Å; F325-F379 HydrophobicContact CD1-CG 4.31Å; F325-F379 HydrophobicContact CE1-CD2 4.09Å; F325-F379 HydrophobicContact CE1-CE2 4.28Å; F325-F379 PolarHBondContact O-N 3.45Å; F325-I381 HydrophobicContact CB-CG2 4.29Å; F325-I381 PolarHBondContact N-O 3.42Å; F325-V383 HydrophobicContact CB-CG2 4.08Å; F325-V383 HydrophobicContact CD2-CG2 4.3Å; F325-L386 HydrophobicContact CB-CD1 4.18Å; F325-L386 HydrophobicContact CD2-CD1 3.63Å; F325-L386 HydrophobicContact CE2-CD1 4.2Å; F325-L386 HydrophobicContact CG-CD1 3.96Å; F325-V427 HydrophobicContact CE2-CG1 3.96Å; F325-V427 HydrophobicContact CZ-CG1 4.05Å; F325-V427 HydrophobicContact CZ-CG2 4.32Å; F325-L434 HydrophobicContact CE2-CD1 4.47Å; F325-F477 HydrophobicContact CZ-CD1 4.2Å; F325-F477 HydrophobicContact CZ-CE1 4.11Å
326Y97.6Very high92.1Very high43 Ų4341.1 Ų41.117%0.16922%0.22CC..EExtended strand (participates in β ladder)trans-143.6159.8175.868.6-88.2000111H328 R376 L377 P478Y326-H328 AromaticContact CE2-CE1 3.46Å; Y326-H328 VanDerWaalsContact CE2-CE1 3.46Å; Y326-H328 WeakPolarHBondContact CE2-CE1 3.49Å; Y326-H328 AromaticContact CE2-ND1 3.93Å; Y326-R376 HydrophobicContact CD2-CG 3.93Å; Y326-R376 HydrophobicContact CG-CG 4.32Å; Y326-L377 CarbonylContact C-O 3.47Å; Y326-L377 VanDerWaalsContact CA-O 3.22Å; Y326-L377 WeakPolarHBondContact CA-O 3.33Å; Y326-L377 WeakPolarHBondContact CB-O 3.47Å; Y326-P478 HydrophobicContact CD2-CB 4.27Å; Y326-P478 HydrophobicContact CE1-CB 3.96Å; Y326-P478 HydrophobicContact CE2-CB 3.61Å; Y326-P478 HydrophobicContact CE2-CG 4.48Å; Y326-P478 VanDerWaalsContact CZ-CB 3.43Å; Y326-P478 WeakPolarHBondContact O-CD 3.28Å; Y326-P478 VanDerWaalsContact O-CG 3.27Å; Y326-P478 WeakPolarHBondContact O-CG 3.42Å; Y326-P478 WeakPolarHBondContact OH-CB 3.15Å
327I98Very high93.1Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-131.3157.4168.460.996.9000109.3F325 L329 L377 F379 L392 F394 F477F325-I327 HydrophobicContact CE1-CG2 3.82Å; F325-I327 HydrophobicContact CZ-CG2 3.68Å; I327-L329 HydrophobicContact CD1-CB 4.47Å; I327-L377 HydrophobicContact CD1-CB 4.19Å; I327-L377 HydrophobicContact CD1-CD1 4.08Å; I327-L377 HydrophobicContact CD1-CG 4.36Å; I327-L377 HydrophobicContact CG1-CB 4.28Å; I327-L377 PolarHBondContact N-O 3.32Å; I327-L377 PolarHBondContact O-N 3.5Å; I327-F379 HydrophobicContact CG1-CE2 3.96Å; I327-L392 HydrophobicContact CG1-CD2 4.28Å; I327-L392 HydrophobicContact CG2-CD2 3.97Å; I327-F394 HydrophobicContact CD1-CE1 4.13Å; I327-F394 HydrophobicContact CD1-CZ 4.1Å; I327-F477 HydrophobicContact CG2-CD1 4.11Å; I327-F477 HydrophobicContact CG2-CE1 4.28Å
328H98.1Very high93.5Very high51 Ų5142.7 Ų42.724%0.23623%0.226CC..EExtended strand (participates in β ladder)trans-100.1123.8167.3-58.988000109.7Y326 I475 R476Y326-H328 AromaticContact CE2-CE1 3.46Å; Y326-H328 VanDerWaalsContact CE2-CE1 3.46Å; Y326-H328 WeakPolarHBondContact CE2-CE1 3.49Å; Y326-H328 AromaticContact CE2-ND1 3.93Å; H328-I475 CarbonylContact O-C 3.52Å; H328-I475 WeakPolarHBondContact O-CA 3.34Å; H328-R476 HydrophobicContact CB-CB 4.16Å; H328-R476 PolarHBondContact N-O 3.06Å; H328-R476 PolarHBondContact O-N 2.78Å
329L98.1Very high93.3Very high0 Ų051 Ų510%027%0.265CS..EExtended strand (participates in β ladder)trans-85.5110.3168.2173.664.7000107.9I327 V345 W373 D374 Q375 L377 L473 I475I327-L329 HydrophobicContact CD1-CB 4.47Å; L329-V345 HydrophobicContact CD1-CG1 4.29Å; L329-V345 HydrophobicContact CD1-CG2 4.41Å; L329-V345 HydrophobicContact CD2-CB 3.78Å; L329-V345 HydrophobicContact CD2-CG1 4.12Å; L329-V345 HydrophobicContact CD2-CG2 4.06Å; L329-W373 HydrophobicContact CD1-CE3 4.49Å; L329-W373 HydrophobicContact CD2-CB 3.8Å; L329-W373 HydrophobicContact CD2-CD2 3.88Å; L329-W373 HydrophobicContact CD2-CE3 4.3Å; L329-W373 HydrophobicContact CD2-CG 3.63Å; L329-W373 HydrophobicContact CG-CB 3.87Å; L329-W373 HydrophobicContact CG-CD2 4.33Å; L329-W373 HydrophobicContact CG-CE3 4.36Å; L329-W373 HydrophobicContact CG-CG 4.14Å; L329-D374 CarbonylContact O-C 3.58Å; L329-D374 VanDerWaalsContact O-CA 3.3Å; L329-D374 WeakPolarHBondContact O-CA 3.08Å; L329-D374 PolarHBondContact O-N 2.99Å; L329-D374 VanDerWaalsContact O-N 3.14Å; L329-Q375 PolarHBondContact N-O 3.49Å; L329-Q375 PolarHBondContact O-N 3.23Å; L329-L377 HydrophobicContact CB-CD1 4.19Å; L329-L377 HydrophobicContact CB-CG 4.38Å; L329-L377 HydrophobicContact CD2-CD1 4.4Å; L329-L473 HydrophobicContact CD1-CD1 3.66Å; L329-L473 HydrophobicContact CD1-CD2 4.09Å; L329-L473 HydrophobicContact CD1-CG 3.91Å; L329-I475 HydrophobicContact CD1-CG2 4.41Å
330V97.5Very high93.1Very high18 Ų1851.2 Ų51.211%0.10928%0.284CS..EExtended strand (participates in β ladder)trans-90.2-74.5-171.3-171.30000110.3W373 D374 L474 R476V330-W373 PolarHBondContact O-N 2.79Å; V330-D374 PolarHBondContact O-N 3.02Å; V330-L474 HydrophobicContact CB-CB 4.27Å; V330-L474 HydrophobicContact CB-CD2 4.02Å; V330-L474 HydrophobicContact CB-CG 4.04Å; V330-L474 WeakPolarHBondContact CB-O 3.36Å; V330-L474 HydrophobicContact CG1-CD2 3.97Å; V330-L474 HydrophobicContact CG2-CD2 4.45Å; V330-L474 HydrophobicContact CG2-CG 4.3Å; V330-L474 PolarHBondContact N-O 2.95Å; V330-R476 HydrophobicContact CG2-CB 4.33Å
331H96.6Very high93.3Very high56 Ų5649.5 Ų49.526%0.25927%0.27SS..EExtended strand (participates in β ladder)trans-150.5161.2179.976.890.6000111.6P371 L372 L474H331-P371 CarbonylContact C-O 3.55Å; H331-P371 WeakPolarHBondContact CA-O 3.24Å; H331-P371 VanDerWaalsContact CB-O 3.28Å; H331-P371 WeakPolarHBondContact CB-O 3.39Å; H331-L372 HydrophobicContact CB-CD1 3.94Å; H331-L474 VanDerWaalsContact CD2-CD2 3.47Å; H331-L474 WeakPolarHBondContact CD2-CD2 3.46Å; H331-L474 WeakPolarHBondContact NE2-CD2 3.44Å; H331-L474 PolarHBondContact O-N 3.46Å
332G96.6Very high93.4Very high1 Ų151.6 Ų51.61%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-96.5164.716600000111.1E370 P371 G472G332-E370 WeakPolarHBondContact O-CA 3.36Å; G332-P371 PolarHBondContact N-O 2.98Å; G332-G472 CarbonylContact C-O 3.46Å; G332-G472 VanDerWaalsContact CA-O 3.23Å; G332-G472 WeakPolarHBondContact CA-O 3.42Å
333S96.2Very high93.5Very high14 Ų1446.5 Ų46.510%0.09825%0.251CS..EExtended strand (participates in β ladder)trans-141.4149.217553.60000111.1V335 S369 E370 A471 G472S333-V335 PolarHBondContact O-N 2.74Å; S333-V335 VanDerWaalsContact O-N 3.17Å; S333-S369 CarbonylContact C-O 3.58Å; S333-S369 VanDerWaalsContact C-O 3.3Å; S333-S369 WeakPolarHBondContact CA-O 3.34Å; S333-E370 WeakPolarHBondContact CA-OE1 3.24Å; S333-E370 WeakPolarHBondContact CA-OE2 3.23Å; S333-E370 WeakPolarHBondContact CB-OE2 3.3Å; S333-A471 CarbonylContact O-C 3.58Å; S333-A471 VanDerWaalsContact O-CA 3.3Å; S333-A471 WeakPolarHBondContact O-CA 3.32Å; S333-G472 PolarHBondContact N-O 2.7Å; S333-G472 PolarHBondContact O-N 2.84Å; S333-G472 WeakPolarHBondContact OG-CA 3.41Å; S333-G472 PolarHBondContact OG-N 2.85Å; S333-G472 PolarHBondContact OG-O 3.5Å
334K95.3Very high93.6Very high75 Ų7542.8 Ų42.833%0.32624%0.235SC..SBendtrans52.236.4177.6-51.1174.6-169.8179.40113.5N336 S369 E370 V467 D468K334-N336 PolarHBondContact O-ND2 3.09Å; K334-S369 PolarHBondContact N-O 3.27Å; K334-E370 PolarHBondContact N-OE1 2.65Å; K334-V467 PolarHBondContact NZ-O 2.77Å; K334-D468 WeakPolarHBondContact CD-O 3.37Å; K334-D468 VanDerWaalsContact NZ-C 3.31Å; K334-D468 PolarHBondContact NZ-O 3.12Å
335V93.8Very high93.6Very high6 Ų640.3 Ų40.34%0.03622%0.218CC..  trans-79.3129179.8179.60000110.1S333 L343 S369 P371 L396 I420S333-V335 PolarHBondContact O-N 2.74Å; S333-V335 VanDerWaalsContact O-N 3.17Å; V335-L343 HydrophobicContact CB-CD1 4.41Å; V335-L343 HydrophobicContact CG1-CD1 3.76Å; V335-L343 HydrophobicContact CG1-CD2 3.93Å; V335-S369 PolarHBondContact N-O 3.26Å; V335-P371 HydrophobicContact CB-CG 4.49Å; V335-P371 HydrophobicContact CG2-CG 3.94Å; V335-L396 HydrophobicContact CB-CD2 4.41Å; V335-L396 HydrophobicContact CG1-CD2 3.76Å; V335-L396 HydrophobicContact CG2-CD2 3.74Å; V335-I420 HydrophobicContact CG1-CD1 4.37Å
336N90.9Very high93.5Very high129 Ų12941.7 Ų41.769%0.6923%0.225SC*.  trans-115.6110.9178-62.2-60.1000109.8K334K334-N336 PolarHBondContact O-ND2 3.09Å
337A89.3Confident93.5Very high37 Ų3739.7 Ų39.731%0.30622%0.217SC..  trans-150.4168.7178.600000111.2E339 L343 V367 A398 I420A337-E339 PolarHBondContact O-N 3.06Å; A337-L343 HydrophobicContact CB-CD2 4.02Å; A337-V367 HydrophobicContact CB-CG1 3.84Å; A337-V367 HydrophobicContact CB-CG2 4.16Å; A337-A398 HydrophobicContact CB-CB 4.18Å; A337-I420 HydrophobicContact CB-CD1 3.77Å
338D87.4Confident93.4Very high94 Ų9439.7 Ų39.750%0.50322%0.217SC..  trans-69.9124.7176.7-173.6-25.2000110.4G340 M341 V367D338-G340 PolarHBondContact O-N 3Å; D338-G340 VanDerWaalsContact O-N 3.07Å; D338-G340 PolarHBondContact OD1-N 3.46Å; D338-M341 HydrophobicContact CB-CE 4.26Å; D338-M341 HydrophobicContact CB-CG 4.22Å; D338-M341 HydrophobicContact CB-SD 4.34Å; D338-M341 WeakPolarHBondContact O-CB 3.41Å; D338-M341 PolarHBondContact O-N 2.91Å; D338-V367 WeakPolarHBondContact O-CG2 3.21Å
339E82.1Confident93.4Very high176 Ų17637.2 Ų37.282%0.82221%0.206SC*.THydrogen-bonded Turntrans-57.9-22-178.9-65.3-178.417400113.4A337 M341A337-E339 PolarHBondContact O-N 3.06Å; E339-M341 PolarHBondContact O-N 3.44Å
340G82.9Confident93.4Very high59 Ų5938 Ų3861%0.60821%0.209SC*.THydrogen-bonded Turntrans-76.43.5175.400000115.3D338D338-G340 PolarHBondContact O-N 3Å; D338-G340 VanDerWaalsContact O-N 3.07Å; D338-G340 PolarHBondContact OD1-N 3.46Å
341M90.5Very high93.3Very high31 Ų3137.2 Ų37.215%0.15320%0.204CC..EExtended strand (participates in β ladder)trans-113.6175.1-178.4-60.9-169.1-174.200112.2D338 E339 V367 A398 V399 I400D338-M341 HydrophobicContact CB-CE 4.26Å; D338-M341 HydrophobicContact CB-CG 4.22Å; D338-M341 HydrophobicContact CB-SD 4.34Å; D338-M341 WeakPolarHBondContact O-CB 3.41Å; D338-M341 PolarHBondContact O-N 2.91Å; E339-M341 PolarHBondContact O-N 3.44Å; M341-V367 HydrophobicContact CB-CG2 4.17Å; M341-V367 WeakPolarHBondContact O-CG2 3.31Å; M341-A398 HydrophobicContact CB-CB 3.99Å; M341-A398 HydrophobicContact CG-CB 4.43Å; M341-A398 HydrophobicContact SD-CB 3.59Å; M341-A398 VanDerWaalsContact SD-CB 3.59Å; M341-V399 CarbonylContact C-O 3.49Å; M341-V399 WeakPolarHBondContact CA-O 2.93Å; M341-V399 WeakPolarHBondContact CB-O 3.36Å; M341-I400 HydrophobicContact CE-CD1 4.48Å; M341-I400 HydrophobicContact CE-CG1 4.2Å; M341-I400 HydrophobicContact CG-CG1 4.33Å; M341-I400 HydrophobicContact SD-CG1 4.42Å
342K92.5Very high93.1Very high45 Ų4534.6 Ų34.620%0.19619%0.192CC..EExtended strand (participates in β ladder)trans-113.2148168.8-58.5-64.1-174-177.60109.9E364 V365 T366 A398 V399 E401K342-E364 HydrophobicContact CB-CB 4.08Å; K342-E364 HydrophobicContact CB-CG 4.49Å; K342-E364 HydrophobicContact CG-CB 4.4Å; K342-V365 CarbonylContact C-O 3.58Å; K342-V365 VanDerWaalsContact CA-O 3.28Å; K342-V365 WeakPolarHBondContact CA-O 3.28Å; K342-T366 HydrophobicContact CD-CG2 4.48Å; K342-A398 CarbonylContact O-C 3.54Å; K342-A398 VanDerWaalsContact O-CA 3.3Å; K342-A398 WeakPolarHBondContact O-CA 3.43Å; K342-V399 HydrophobicContact CB-CG2 3.91Å; K342-V399 PolarHBondContact N-O 3.26Å; K342-V399 PolarHBondContact O-N 2.85Å; K342-E401 VanDerWaalsContact CE-OE1 3.32Å; K342-E401 WeakPolarHBondContact CE-OE1 3.48Å; K342-E401 IonicContact NZ-OE1 3.26Å
343L94.5Very high92.7Very high0 Ų037.6 Ų37.60%021%0.213CC..EExtended strand (participates in β ladder)trans-93136.3174.9-64.7174.1000110.9V335 A337 V365 V367 P371 W373 L396 Y397 I420V335-L343 HydrophobicContact CB-CD1 4.41Å; V335-L343 HydrophobicContact CG1-CD1 3.76Å; V335-L343 HydrophobicContact CG1-CD2 3.93Å; A337-L343 HydrophobicContact CB-CD2 4.02Å; L343-V365 PolarHBondContact N-O 3.06Å; L343-V365 PolarHBondContact O-N 2.77Å; L343-V367 HydrophobicContact CD1-CG2 4.37Å; L343-V367 HydrophobicContact CD2-CG2 3.93Å; L343-V367 HydrophobicContact CG-CB 4.35Å; L343-V367 HydrophobicContact CG-CG2 3.68Å; L343-P371 HydrophobicContact CD1-CB 3.85Å; L343-P371 HydrophobicContact CD1-CG 3.82Å; L343-W373 HydrophobicContact CB-CH2 4.25Å; L343-W373 HydrophobicContact CB-CZ2 3.85Å; L343-L396 HydrophobicContact CB-CD1 4.4Å; L343-L396 HydrophobicContact CD2-CD1 4.38Å; L343-Y397 VanDerWaalsContact CA-O 3.3Å; L343-Y397 WeakPolarHBondContact CA-O 3.46Å; L343-I420 HydrophobicContact CD2-CD1 3.48Å; L343-I420 VanDerWaalsContact CD2-CD1 3.48Å
344V94.9Very high92.5Very high11 Ų1140.1 Ų40.17%0.06722%0.223CC..EExtended strand (participates in β ladder)trans-136.4138.7176.6177.30000109.2T361 E364 Y397 V399V344-T361 HydrophobicContact CG1-CG2 3.3Å; V344-E364 HydrophobicContact CG2-CB 4.33Å; V344-E364 HydrophobicContact CG2-CG 3.63Å; V344-Y397 PolarHBondContact N-O 3.31Å; V344-Y397 PolarHBondContact O-N 2.93Å; V344-V399 HydrophobicContact CG2-CG1 4.27Å; V344-V399 HydrophobicContact CG2-CG2 3.72Å
345V95.8Very high92.4Very high0 Ų039.7 Ų39.70%022%0.224CC..EExtended strand (participates in β ladder)trans-107.8126171.8178.10000108.8L329 S362 W373 F394 A395 L396 L473L329-V345 HydrophobicContact CD1-CG1 4.29Å; L329-V345 HydrophobicContact CD1-CG2 4.41Å; L329-V345 HydrophobicContact CD2-CB 3.78Å; L329-V345 HydrophobicContact CD2-CG1 4.12Å; L329-V345 HydrophobicContact CD2-CG2 4.06Å; V345-S362 PolarHBondContact N-OG 3.03Å; V345-S362 PolarHBondContact O-N 2.79Å; V345-S362 PolarHBondContact O-OG 2.8Å; V345-W373 HydrophobicContact CG2-CD2 4.37Å; V345-W373 HydrophobicContact CG2-CE3 4.37Å; V345-W373 HydrophobicContact CG2-CH2 3.68Å; V345-W373 HydrophobicContact CG2-CZ2 3.67Å; V345-W373 HydrophobicContact CG2-CZ3 4.02Å; V345-F394 HydrophobicContact CG1-CD1 3.91Å; V345-A395 WeakPolarHBondContact CA-O 3.42Å; V345-L396 HydrophobicContact CG2-CD1 3.84Å; V345-L473 HydrophobicContact CG1-CD2 4.14Å; V345-L473 HydrophobicContact CG2-CD1 4.08Å
346Q95.3Very high92.6Very high30 Ų3039.6 Ų39.614%0.1422%0.224CC..EExtended strand (participates in β ladder)trans-101.4141.3168-71.5-177.3-32.100109.8M360 T361 F394 A395 Y397 L455Q346-M360 WeakPolarHBondContact CA-O 3.48Å; Q346-T361 HydrophobicContact CG-CG2 4.09Å; Q346-F394 VanDerWaalsContact O-CA 3.26Å; Q346-F394 WeakPolarHBondContact O-CA 3.36Å; Q346-A395 PolarHBondContact N-O 3.04Å; Q346-A395 PolarHBondContact O-N 3.03Å; Q346-Y397 HydrophobicContact CG-CD2 4.45Å; Q346-Y397 VanDerWaalsContact OE1-CE2 3.31Å; Q346-L455 HydrophobicContact CB-CD2 4.4Å
347A97Very high92.8Very high0 Ų034.2 Ų34.20%020%0.196CC..EExtended strand (participates in β ladder)trans-133.9135.4179.900000110.3M359 M360 L377 F379 C393 F394A347-M359 WeakPolarHBondContact O-CA 3.25Å; A347-M360 PolarHBondContact N-O 3.29Å; A347-M360 PolarHBondContact O-N 3Å; A347-L377 HydrophobicContact CB-CD1 4.03Å; A347-F379 HydrophobicContact CB-CE1 4.41Å; A347-F379 HydrophobicContact CB-CZ 3.94Å; A347-C393 CarbonylContact C-O 3.56Å; A347-C393 WeakPolarHBondContact CA-O 3.24Å; A347-F394 HydrophobicContact CB-CD1 3.64Å; A347-F394 HydrophobicContact CB-CE1 3.58Å
348G97.1Very high93.1Very high0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-138.8147.8175.500000111.8C393G348-C393 PolarHBondContact N-O 3.12Å; G348-C393 PolarHBondContact O-N 3.25Å
349L97.9Very high93.5Very high0 Ų039.1 Ų39.10%021%0.208CC..EExtended strand (participates in β ladder)trans-98.5126.1172.6-79.2173.1000110F325 L355 L356 F379 I381 L386 R391 L392 V427F325-L349 HydrophobicContact CD1-CD1 3.72Å; F325-L349 HydrophobicContact CD1-CD2 4.5Å; F325-L349 HydrophobicContact CE1-CD1 4.12Å; F325-L349 HydrophobicContact CE1-CD2 4.1Å; L349-L355 WeakPolarHBondContact O-CD1 3.48Å; L349-L356 HydrophobicContact CB-CB 4.29Å; L349-L356 HydrophobicContact CB-CD1 4.34Å; L349-L356 PolarHBondContact O-N 3.47Å; L349-F379 HydrophobicContact CD1-CB 3.79Å; L349-F379 HydrophobicContact CD1-CD1 3.81Å; L349-F379 HydrophobicContact CD1-CD2 4.2Å; L349-F379 HydrophobicContact CD1-CE1 4.46Å; L349-F379 HydrophobicContact CD1-CG 3.66Å; L349-F379 HydrophobicContact CG-CD1 3.9Å; L349-F379 HydrophobicContact CG-CE1 4.1Å; L349-F379 HydrophobicContact CG-CG 4.19Å; L349-I381 HydrophobicContact CD1-CG2 3.63Å; L349-L386 HydrophobicContact CD1-CD2 4.15Å; L349-R391 CarbonylContact C-O 3.49Å; L349-R391 WeakPolarHBondContact CA-O 3.49Å; L349-L392 HydrophobicContact CD2-CB 4.27Å; L349-L392 HydrophobicContact CD2-CD1 3.79Å; L349-L392 HydrophobicContact CG-CD1 4.13Å; L349-V427 HydrophobicContact CD2-CG2 3.84Å
350F97.4Very high94.1Very high16 Ų1633.3 Ų33.37%0.0718%0.181CC..EExtended strand (participates in β ladder)trans-126.1148.5-175.4-70.3-96.7000112.3E354 L355 R391 C393 L455 P457F350-E354 CarbonylContact C-O 3.56Å; F350-E354 WeakPolarHBondContact CA-O 3.25Å; F350-E354 WeakPolarHBondContact CD1-O 3.28Å; F350-L355 HydrophobicContact CD1-CB 4.32Å; F350-L355 HydrophobicContact CD1-CD1 4.4Å; F350-L355 HydrophobicContact CD2-CD1 4.26Å; F350-L355 HydrophobicContact CE1-CB 3.98Å; F350-L355 HydrophobicContact CE1-CD1 3.91Å; F350-L355 HydrophobicContact CE2-CD1 3.76Å; F350-L355 HydrophobicContact CZ-CB 4.47Å; F350-L355 HydrophobicContact CZ-CD1 3.57Å; F350-R391 PolarHBondContact N-O 2.8Å; F350-R391 PolarHBondContact O-N 2.85Å; F350-C393 HydrophobicContact CD2-CB 3.85Å; F350-C393 VanDerWaalsContact CD2-SG 3.52Å; F350-C393 HydrophobicContact CE2-CB 3.93Å; F350-L455 HydrophobicContact CE2-CD1 3.65Å; F350-L455 HydrophobicContact CZ-CB 4.48Å; F350-L455 HydrophobicContact CZ-CD1 3.99Å; F350-P457 HydrophobicContact CB-CB 4.45Å; F350-P457 HydrophobicContact CD1-CB 3.74Å; F350-P457 HydrophobicContact CD1-CG 4.16Å; F350-P457 HydrophobicContact CD2-CB 4.27Å; F350-P457 HydrophobicContact CE1-CB 3.98Å; F350-P457 HydrophobicContact CE1-CG 3.95Å; F350-P457 HydrophobicContact CE2-CB 4.48Å; F350-P457 HydrophobicContact CG-CB 3.9Å; F350-P457 HydrophobicContact CZ-CB 4.34Å; F350-P457 HydrophobicContact CZ-CG 4.35Å
351H96.5Very high94.7Very high2 Ų233.7 Ų33.71%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-119.1102.5160.1-177.898.2000107.6S353 E354 L356 P387 W557 P590H351-S353 PolarHBondContact O-N 3.26Å; H351-E354 PolarHBondContact N-O 3.42Å; H351-E354 PolarHBondContact O-N 3.01Å; H351-L356 HydrophobicContact CB-CD1 4.28Å; H351-L356 HydrophobicContact CB-CD2 3.76Å; H351-L356 HydrophobicContact CB-CG 4.15Å; H351-P387 HydrophobicContact CB-CG 4.23Å; H351-W557 HydrophobicContact CB-CB 4.2Å; H351-W557 AromaticContact CD2-CD1 3.88Å; H351-W557 AromaticContact CD2-CD2 3.69Å; H351-W557 AromaticContact CD2-CG 3.61Å; H351-W557 AromaticContact CE1-CD2 3.74Å; H351-W557 AromaticContact CE1-CE3 3.44Å; H351-W557 VanDerWaalsContact CE1-CE3 3.44Å; H351-W557 AromaticContact CE1-CZ3 3.85Å; H351-W557 AromaticContact CG-CG 3.98Å; H351-W557 AromaticContact NE2-CD2 3.39Å; H351-W557 AromaticContact NE2-CE2 3.66Å; H351-W557 AromaticContact NE2-CE3 3.54Å; H351-W557 AromaticContact NE2-CG 3.87Å; H351-W557 AromaticContact NE2-CZ3 3.92Å; H351-P590 VanDerWaalsContact NE2-CG 3.33Å; H351-P590 WeakPolarHBondContact NE2-CG 3.33Å
352G91.6Very high95Very high0 Ų032.7 Ų32.70%017%0.168CC..THydrogen-bonded Turntrans62.7-127.5-171.800000109.1Y587G352-Y587 VanDerWaalsContact C-CZ 3.48Å; G352-Y587 WeakPolarHBondContact CA-O 3.02Å; G352-Y587 WeakPolarHBondContact O-CE1 3.35Å; G352-Y587 PolarHBondContact O-OH 3Å
353S87.6Confident95.1Very high64 Ų6433.3 Ų33.345%0.44818%0.178SC..THydrogen-bonded Turntrans-82.3-12.7176.550.30000114.1H351 Y587H351-S353 PolarHBondContact O-N 3.26Å; S353-Y587 VanDerWaalsContact N-CE1 3.32Å
354E91.3Very high95.1Very high67 Ų6738.3 Ų38.331%0.31320%0.201SC..EExtended strand (participates in β ladder)trans-84.2132.9-175.2-168.4-175.9169.400111.4F350 H351F350-E354 CarbonylContact C-O 3.56Å; F350-E354 WeakPolarHBondContact CA-O 3.25Å; F350-E354 WeakPolarHBondContact CD1-O 3.28Å; H351-E354 PolarHBondContact N-O 3.42Å; H351-E354 PolarHBondContact O-N 3.01Å
355L94.8Very high95.1Very high67 Ų6739 Ų3935%0.35121%0.205SC..EExtended strand (participates in β ladder)trans-82.3119.4172.2-17974000109.1L349 F350 C357 M359L349-L355 WeakPolarHBondContact O-CD1 3.48Å; F350-L355 HydrophobicContact CD1-CB 4.32Å; F350-L355 HydrophobicContact CD1-CD1 4.4Å; F350-L355 HydrophobicContact CD2-CD1 4.26Å; F350-L355 HydrophobicContact CE1-CB 3.98Å; F350-L355 HydrophobicContact CE1-CD1 3.91Å; F350-L355 HydrophobicContact CE2-CD1 3.76Å; F350-L355 HydrophobicContact CZ-CB 4.47Å; F350-L355 HydrophobicContact CZ-CD1 3.57Å; L355-C357 WeakPolarHBondContact CD1-O 3.5Å; L355-C357 WeakPolarHBondContact CD2-O 3.13Å; L355-C357 WeakPolarHBondContact CG-O 3.38Å; L355-M359 HydrophobicContact CD1-CG 3.82Å; L355-M359 HydrophobicContact CD2-CG 3.96Å
356L96.9Very high94.9Very high4 Ų443 Ų432%0.02123%0.23CC..  trans-74.1-31.1-173.6-68.5171.6000113.6L349 H351 I381 P387 W557 N558L349-L356 HydrophobicContact CB-CB 4.29Å; L349-L356 HydrophobicContact CB-CD1 4.34Å; L349-L356 PolarHBondContact O-N 3.47Å; H351-L356 HydrophobicContact CB-CD1 4.28Å; H351-L356 HydrophobicContact CB-CD2 3.76Å; H351-L356 HydrophobicContact CB-CG 4.15Å; L356-I381 HydrophobicContact CB-CD1 4.16Å; L356-P387 HydrophobicContact CD1-CG 3.88Å; L356-P387 HydrophobicContact CD2-CG 4.03Å; L356-W557 HydrophobicContact CD2-CB 4.1Å; L356-N558 HydrophobicContact CB-CB 4.35Å; L356-N558 HydrophobicContact CD2-CB 3.93Å; L356-N558 PolarHBondContact O-ND2 3.33Å
357C96.2Very high94.8Very high16 Ų1642.7 Ų42.711%0.10823%0.23CC..SBendtrans-157.2172.4-179.266.50000110.4L355 M359 D380 I381L355-C357 WeakPolarHBondContact CD1-O 3.5Å; L355-C357 WeakPolarHBondContact CD2-O 3.13Å; L355-C357 WeakPolarHBondContact CG-O 3.38Å; C357-M359 PolarHBondContact O-N 3.14Å; C357-D380 HydrophobicContact CB-CB 4.48Å; C357-D380 WeakPolarHBondContact CB-O 3.12Å; C357-I381 HydrophobicContact CB-CB 4.31Å
358K95.1Very high94.5Very high165 Ų16545.3 Ų45.372%0.71725%0.248SC*.PPolyproline II helixtrans-54.4137.6-179.8-171.7178.5176.1-177.50112.3
359M94.9Very high94.3Very high68 Ų6848.2 Ų48.234%0.33527%0.268SS..PPolyproline II helixtrans-65.8143.7174.4-66.8-178.2-70.800111.6A347 L355 C357 L455A347-M359 WeakPolarHBondContact O-CA 3.25Å; L355-M359 HydrophobicContact CD1-CG 3.82Å; L355-M359 HydrophobicContact CD2-CG 3.96Å; C357-M359 PolarHBondContact O-N 3.14Å; M359-L455 HydrophobicContact CG-CD1 4.27Å; M359-L455 HydrophobicContact SD-CD1 3.71Å; M359-L455 HydrophobicContact SD-CG 4.42Å
360M95.8Very high94.2Very high54 Ų5452.9 Ų52.927%0.26629%0.29SS..EExtended strand (participates in β ladder)trans-102.2144.9176.4-61.4-54.1-70.400110.6Q346 A347 L377 E378 F379Q346-M360 WeakPolarHBondContact CA-O 3.48Å; A347-M360 PolarHBondContact N-O 3.29Å; A347-M360 PolarHBondContact O-N 3Å; M360-L377 HydrophobicContact CB-CB 4.36Å; M360-E378 WeakPolarHBondContact CE-O 3.08Å; M360-F379 HydrophobicContact CB-CE1 4.22Å; M360-F379 HydrophobicContact CB-CZ 4.44Å; M360-F379 HydrophobicContact CG-CD1 3.84Å; M360-F379 HydrophobicContact CG-CE1 3.77Å; M360-F379 HydrophobicContact CG-CG 4.35Å; M360-F379 HydrophobicContact CG-CZ 4.21Å
361T95.3Very high94.1Very high68 Ų6852.1 Ų52.142%0.41729%0.287SS..EExtended strand (participates in β ladder)trans-127.7133.5177.8-56.50000108.6V344 Q346V344-T361 HydrophobicContact CG1-CG2 3.3Å; Q346-T361 HydrophobicContact CG-CG2 4.09Å
362S96.4Very high94.1Very high9 Ų957.6 Ų57.66%0.06332%0.315CS..PPolyproline II helixtrans-69.5169.5176.175.30000111.8V345 W373V345-S362 PolarHBondContact N-OG 3.03Å; V345-S362 PolarHBondContact O-N 2.79Å; V345-S362 PolarHBondContact O-OG 2.8Å; S362-W373 PolarHBondContact OG-NE1 3.41Å; S362-W373 VanDerWaalsContact OG-NE1 3.08Å
363S95.2Very high94.4Very high59 Ų5958.4 Ų58.441%0.41332%0.318SS..PPolyproline II helixtrans-60.7153.1161.151.80000111.5W373 Q375S363-W373 PolarHBondContact O-NE1 2.85Å; S363-Q375 PolarHBondContact OG-OE1 2.91Å
364E94.9Very high94.8Very high105 Ų10560.7 Ų60.749%0.49133%0.325SS..PPolyproline II helixtrans-75.7122.7172.9-69.4178.9-161.800109.7K342 V344 V399K342-E364 HydrophobicContact CB-CB 4.08Å; K342-E364 HydrophobicContact CB-CG 4.49Å; K342-E364 HydrophobicContact CG-CB 4.4Å; V344-E364 HydrophobicContact CG2-CB 4.33Å; V344-E364 HydrophobicContact CG2-CG 3.63Å; E364-V399 HydrophobicContact CG-CG2 4.39Å
365V94.7Very high95.1Very high24 Ų2460 Ų6015%0.14532%0.322CS..EExtended strand (participates in β ladder)trans-113.8150.2178.5177.60000109.6K342 L343 P371 L372 W373K342-V365 CarbonylContact C-O 3.58Å; K342-V365 VanDerWaalsContact CA-O 3.28Å; K342-V365 WeakPolarHBondContact CA-O 3.28Å; L343-V365 PolarHBondContact N-O 3.06Å; L343-V365 PolarHBondContact O-N 2.77Å; V365-P371 HydrophobicContact CG1-CB 4.13Å; V365-L372 WeakPolarHBondContact CG2-O 3.36Å; V365-W373 HydrophobicContact CB-CZ2 4.44Å; V365-W373 VanDerWaalsContact CG2-CD1 3.44Å; V365-W373 HydrophobicContact CG2-CD2 4.28Å; V365-W373 HydrophobicContact CG2-CG 4.04Å; V365-W373 VanDerWaalsContact CG2-NE1 3.31Å
366T92Very high95.2Very high85 Ų8562.7 Ų62.752%0.52133%0.328SS..EExtended strand (participates in β ladder)trans-61.4141.6173.544.80000111.1K342 C368K342-T366 HydrophobicContact CD-CG2 4.48Å; T366-C368 PolarHBondContact O-N 3.11Å
367V91.4Very high95.3Very high24 Ų2462.5 Ų62.515%0.14533%0.327CS..  trans-62123.4174.81700000110.1A337 D338 M341 L343A337-V367 HydrophobicContact CB-CG1 3.84Å; A337-V367 HydrophobicContact CB-CG2 4.16Å; D338-V367 WeakPolarHBondContact O-CG2 3.21Å; M341-V367 HydrophobicContact CB-CG2 4.17Å; M341-V367 WeakPolarHBondContact O-CG2 3.31Å; L343-V367 HydrophobicContact CD1-CG2 4.37Å; L343-V367 HydrophobicContact CD2-CG2 3.93Å; L343-V367 HydrophobicContact CG-CB 4.35Å; L343-V367 HydrophobicContact CG-CG2 3.68Å
368C92.2Very high95.4Very high55 Ų5565.9 Ų65.937%0.37234%0.341SS..  trans-155.1170.6168.264.10000109T366 E370 P371T366-C368 PolarHBondContact O-N 3.11Å; C368-E370 VanDerWaalsContact C-N 3.33Å; C368-E370 PolarHBondContact O-N 2.93Å; C368-E370 VanDerWaalsContact SG-C 3.55Å; C368-P371 WeakPolarHBondContact O-CD 3.39Å; C368-P371 WeakPolarHBondContact SG-CA 3.45Å
369S92.5Very high95.5Very high60 Ų6058.1 Ų58.142%0.4231%0.307SS..SBendtrans-64.6-37.2178.4-178.40000112.6S333 K334 V335 P371S333-S369 CarbonylContact C-O 3.58Å; S333-S369 VanDerWaalsContact C-O 3.3Å; S333-S369 WeakPolarHBondContact CA-O 3.34Å; K334-S369 PolarHBondContact N-O 3.27Å; V335-S369 PolarHBondContact N-O 3.26Å; S369-P371 VanDerWaalsContact O-CD 3.24Å; S369-P371 WeakPolarHBondContact O-CD 3.4Å
370E95.8Very high95.6Very high98 Ų9861.8 Ų61.846%0.45833%0.328SS..SBendtrans-120.767.6-174.2-56.1-57.612800110.9G332 S333 K334 C368G332-E370 WeakPolarHBondContact O-CA 3.36Å; S333-E370 WeakPolarHBondContact CA-OE1 3.24Å; S333-E370 WeakPolarHBondContact CA-OE2 3.23Å; S333-E370 WeakPolarHBondContact CB-OE2 3.3Å; K334-E370 PolarHBondContact N-OE1 2.65Å; C368-E370 VanDerWaalsContact C-N 3.33Å; C368-E370 PolarHBondContact O-N 2.93Å; C368-E370 VanDerWaalsContact SG-C 3.55Å
371P95.7Very high95.6Very high1 Ų159.8 Ų59.81%0.00632%0.318CS..  trans-70.4135.2-176.429-35.7000111.7H331 G332 V335 L343 V365 C368 S369 W373H331-P371 CarbonylContact C-O 3.55Å; H331-P371 WeakPolarHBondContact CA-O 3.24Å; H331-P371 VanDerWaalsContact CB-O 3.28Å; H331-P371 WeakPolarHBondContact CB-O 3.39Å; G332-P371 PolarHBondContact N-O 2.98Å; V335-P371 HydrophobicContact CB-CG 4.49Å; V335-P371 HydrophobicContact CG2-CG 3.94Å; L343-P371 HydrophobicContact CD1-CB 3.85Å; L343-P371 HydrophobicContact CD1-CG 3.82Å; V365-P371 HydrophobicContact CG1-CB 4.13Å; C368-P371 WeakPolarHBondContact O-CD 3.39Å; C368-P371 WeakPolarHBondContact SG-CA 3.45Å; S369-P371 VanDerWaalsContact O-CD 3.24Å; S369-P371 WeakPolarHBondContact O-CD 3.4Å; P371-W373 HydrophobicContact CB-CE3 4.45Å; P371-W373 HydrophobicContact CB-CH2 3.74Å; P371-W373 HydrophobicContact CB-CZ2 4.36Å; P371-W373 HydrophobicContact CB-CZ3 3.81Å; P371-W373 HydrophobicContact CG-CH2 3.54Å; P371-W373 HydrophobicContact CG-CZ3 3.53Å
372L96.9Very high95.7Very high116 Ų11659.4 Ų59.461%0.60731%0.314SS*.EExtended strand (participates in β ladder)trans-105.8128.8178.5-175.870.7000110.3H331 V365H331-L372 HydrophobicContact CB-CD1 3.94Å; V365-L372 WeakPolarHBondContact CG2-O 3.36Å
373W97.1Very high95.6Very high18 Ų1859 Ų597%0.06831%0.311CS..EExtended strand (participates in β ladder)trans-110.8-43.6173.5-77.6-82.8000112.6L329 V330 L343 V345 S362 S363 V365 P371 Q375 L396 L473L329-W373 HydrophobicContact CD1-CE3 4.49Å; L329-W373 HydrophobicContact CD2-CB 3.8Å; L329-W373 HydrophobicContact CD2-CD2 3.88Å; L329-W373 HydrophobicContact CD2-CE3 4.3Å; L329-W373 HydrophobicContact CD2-CG 3.63Å; L329-W373 HydrophobicContact CG-CB 3.87Å; L329-W373 HydrophobicContact CG-CD2 4.33Å; L329-W373 HydrophobicContact CG-CE3 4.36Å; L329-W373 HydrophobicContact CG-CG 4.14Å; V330-W373 PolarHBondContact O-N 2.79Å; L343-W373 HydrophobicContact CB-CH2 4.25Å; L343-W373 HydrophobicContact CB-CZ2 3.85Å; V345-W373 HydrophobicContact CG2-CD2 4.37Å; V345-W373 HydrophobicContact CG2-CE3 4.37Å; V345-W373 HydrophobicContact CG2-CH2 3.68Å; V345-W373 HydrophobicContact CG2-CZ2 3.67Å; V345-W373 HydrophobicContact CG2-CZ3 4.02Å; S362-W373 PolarHBondContact OG-NE1 3.41Å; S362-W373 VanDerWaalsContact OG-NE1 3.08Å; S363-W373 PolarHBondContact O-NE1 2.85Å; V365-W373 HydrophobicContact CB-CZ2 4.44Å; V365-W373 VanDerWaalsContact CG2-CD1 3.44Å; V365-W373 HydrophobicContact CG2-CD2 4.28Å; V365-W373 HydrophobicContact CG2-CG 4.04Å; V365-W373 VanDerWaalsContact CG2-NE1 3.31Å; P371-W373 HydrophobicContact CB-CE3 4.45Å; P371-W373 HydrophobicContact CB-CH2 3.74Å; P371-W373 HydrophobicContact CB-CZ2 4.36Å; P371-W373 HydrophobicContact CB-CZ3 3.81Å; P371-W373 HydrophobicContact CG-CH2 3.54Å; P371-W373 HydrophobicContact CG-CZ3 3.53Å; W373-Q375 VanDerWaalsContact C-N 3.26Å; W373-Q375 HydrophobicContact CB-CB 4.36Å; W373-Q375 PolarHBondContact O-N 3.27Å; W373-L396 HydrophobicContact CH2-CD1 3.84Å; W373-L396 HydrophobicContact CZ2-CD1 4.27Å; W373-L473 HydrophobicContact CZ3-CD1 4.4Å
374D96.3Very high95.6Very high111 Ų11156.3 Ų56.359%0.59429%0.292SS*.EExtended strand (participates in β ladder)trans40.352.6-173.9-163.530.2000113.4L329 V330L329-D374 CarbonylContact O-C 3.58Å; L329-D374 VanDerWaalsContact O-CA 3.3Å; L329-D374 WeakPolarHBondContact O-CA 3.08Å; L329-D374 PolarHBondContact O-N 2.99Å; L329-D374 VanDerWaalsContact O-N 3.14Å; V330-D374 PolarHBondContact O-N 3.02Å
375Q97.6Very high95.6Very high52 Ų5252.9 Ų52.924%0.24328%0.277CS..EExtended strand (participates in β ladder)trans-120130.4-169.5-174.4179.2-13.800111.3L329 S363 W373 L377L329-Q375 PolarHBondContact N-O 3.49Å; L329-Q375 PolarHBondContact O-N 3.23Å; S363-Q375 PolarHBondContact OG-OE1 2.91Å; W373-Q375 VanDerWaalsContact C-N 3.26Å; W373-Q375 HydrophobicContact CB-CB 4.36Å; W373-Q375 PolarHBondContact O-N 3.27Å; Q375-L377 HydrophobicContact CG-CD2 4.05Å; Q375-L377 PolarHBondContact O-N 2.72Å
376R97.4Very high95.7Very high125 Ų12551.9 Ų51.947%0.47227%0.271SS..EExtended strand (participates in β ladder)trans-75.4120.7167.1178.6174.2166.5165.9-3.2109.9Y326 E378Y326-R376 HydrophobicContact CD2-CG 3.93Å; Y326-R376 HydrophobicContact CG-CG 4.32Å; R376-E378 IonicContact CZ-OE2 3.94Å; R376-E378 IonicContact NE-OE2 2.71Å; R376-E378 PolarHBondContact NE-OE2 3.11Å; R376-E378 IonicContact NH2-OE2 2.69Å; R376-E378 PolarHBondContact NH2-OE2 3.47Å
377L97.8Very high95.9Very high0 Ų047.9 Ų47.90%025%0.246CC..EExtended strand (participates in β ladder)trans-104106.9171.4-57.7-175.7000108.3Y326 I327 L329 A347 M360 Q375 F379Y326-L377 CarbonylContact C-O 3.47Å; Y326-L377 VanDerWaalsContact CA-O 3.22Å; Y326-L377 WeakPolarHBondContact CA-O 3.33Å; Y326-L377 WeakPolarHBondContact CB-O 3.47Å; I327-L377 HydrophobicContact CD1-CB 4.19Å; I327-L377 HydrophobicContact CD1-CD1 4.08Å; I327-L377 HydrophobicContact CD1-CG 4.36Å; I327-L377 HydrophobicContact CG1-CB 4.28Å; I327-L377 PolarHBondContact N-O 3.32Å; I327-L377 PolarHBondContact O-N 3.5Å; L329-L377 HydrophobicContact CB-CD1 4.19Å; L329-L377 HydrophobicContact CB-CG 4.38Å; L329-L377 HydrophobicContact CD2-CD1 4.4Å; A347-L377 HydrophobicContact CB-CD1 4.03Å; M360-L377 HydrophobicContact CB-CB 4.36Å; Q375-L377 HydrophobicContact CG-CD2 4.05Å; Q375-L377 PolarHBondContact O-N 2.72Å; L377-F379 HydrophobicContact CB-CE2 4.38Å
378E97.8Very high96.1Very high87 Ų8747.3 Ų47.341%0.40724%0.242SC..EExtended strand (participates in β ladder)trans-97132.2178.1-175.8169.2109.900110.5P324 M360 R376P324-E378 HydrophobicContact CB-CG 3.97Å; M360-E378 WeakPolarHBondContact CE-O 3.08Å; R376-E378 IonicContact CZ-OE2 3.94Å; R376-E378 IonicContact NE-OE2 2.71Å; R376-E378 PolarHBondContact NE-OE2 3.11Å; R376-E378 IonicContact NH2-OE2 2.69Å; R376-E378 PolarHBondContact NH2-OE2 3.47Å
379F97.6Very high96.3Very high2 Ų245 Ų451%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-104.6142.2-178.2-65-92.8000109.9F325 I327 A347 L349 M360 L377 I381 L392F325-F379 HydrophobicContact CD1-CB 4.43Å; F325-F379 AromaticContact CD1-CD2 3.72Å; F325-F379 HydrophobicContact CD1-CD2 3.72Å; F325-F379 HydrophobicContact CD1-CE2 4.37Å; F325-F379 HydrophobicContact CD1-CG 4.31Å; F325-F379 HydrophobicContact CE1-CD2 4.09Å; F325-F379 HydrophobicContact CE1-CE2 4.28Å; F325-F379 PolarHBondContact O-N 3.45Å; I327-F379 HydrophobicContact CG1-CE2 3.96Å; A347-F379 HydrophobicContact CB-CE1 4.41Å; A347-F379 HydrophobicContact CB-CZ 3.94Å; L349-F379 HydrophobicContact CD1-CB 3.79Å; L349-F379 HydrophobicContact CD1-CD1 3.81Å; L349-F379 HydrophobicContact CD1-CD2 4.2Å; L349-F379 HydrophobicContact CD1-CE1 4.46Å; L349-F379 HydrophobicContact CD1-CG 3.66Å; L349-F379 HydrophobicContact CG-CD1 3.9Å; L349-F379 HydrophobicContact CG-CE1 4.1Å; L349-F379 HydrophobicContact CG-CG 4.19Å; M360-F379 HydrophobicContact CB-CE1 4.22Å; M360-F379 HydrophobicContact CB-CZ 4.44Å; M360-F379 HydrophobicContact CG-CD1 3.84Å; M360-F379 HydrophobicContact CG-CE1 3.77Å; M360-F379 HydrophobicContact CG-CG 4.35Å; M360-F379 HydrophobicContact CG-CZ 4.21Å; L377-F379 HydrophobicContact CB-CE2 4.38Å; F379-I381 HydrophobicContact CB-CG2 4.01Å; F379-I381 PolarHBondContact O-N 2.77Å; F379-L392 HydrophobicContact CE1-CD1 4.26Å; F379-L392 HydrophobicContact CE2-CD1 4.16Å; F379-L392 HydrophobicContact CZ-CD1 3.64Å
380D96.6Very high96.5Very high145 Ų14542.2 Ų42.278%0.77521%0.206SC*.EExtended strand (participates in β ladder)trans-78.360.9178.6-168.721.9000111.2C357C357-D380 HydrophobicContact CB-CB 4.48Å; C357-D380 WeakPolarHBondContact CB-O 3.12Å
381I96.9Very high96.6Very high12 Ų1237.7 Ų37.76%0.06218%0.184CC..EExtended strand (participates in β ladder)trans-155.4133.9176.1-173.2165.7000109.1P324 F325 L349 L356 C357 F379 D385 L386 N558P324-I381 WeakPolarHBondContact CA-O 3.24Å; F325-I381 HydrophobicContact CB-CG2 4.29Å; F325-I381 PolarHBondContact N-O 3.42Å; L349-I381 HydrophobicContact CD1-CG2 3.63Å; L356-I381 HydrophobicContact CB-CD1 4.16Å; C357-I381 HydrophobicContact CB-CB 4.31Å; F379-I381 HydrophobicContact CB-CG2 4.01Å; F379-I381 PolarHBondContact O-N 2.77Å; I381-D385 HydrophobicContact CG1-CB 4.19Å; I381-L386 HydrophobicContact CD1-CD2 4.12Å; I381-L386 HydrophobicContact CG1-CD2 4.48Å; I381-L386 HydrophobicContact CG2-CD2 4.11Å; I381-N558 HydrophobicContact CD1-CB 3.88Å
382N96.7Very high96.7Very high60 Ų6037.7 Ų37.732%0.32118%0.184SC..EExtended strand (participates in β ladder)trans-73.5150.1176-65.2-40.3000111E323 S384 D385 L386E323-N382 CarbonylContact O-C 2.98Å; E323-N382 WeakPolarHBondContact O-CA 3.32Å; N382-S384 PolarHBondContact O-N 2.8Å; N382-D385 PolarHBondContact O-N 3.4Å; N382-L386 PolarHBondContact O-N 2.94Å
383V95.4Very high96.7Very high1 Ų132.1 Ų32.11%0.00616%0.155CC..G310 helixtrans-57.8-35.6175.11740000111.7L318 I321 E323 F325 D385 L386 L434 I480L318-V383 HydrophobicContact CD1-CG1 3.48Å; L318-V383 VanDerWaalsContact CD1-CG1 3.48Å; L318-V383 HydrophobicContact CG-CG1 4.18Å; I321-V383 HydrophobicContact CB-CB 4.02Å; I321-V383 HydrophobicContact CB-CG1 3.93Å; I321-V383 HydrophobicContact CG1-CG1 4.48Å; I321-V383 HydrophobicContact CG2-CB 3.7Å; I321-V383 HydrophobicContact CG2-CG1 3.91Å; I321-V383 HydrophobicContact CG2-CG2 4.09Å; E323-V383 WeakPolarHBondContact O-CG2 3.46Å; E323-V383 PolarHBondContact O-N 3.42Å; F325-V383 HydrophobicContact CB-CG2 4.08Å; F325-V383 HydrophobicContact CD2-CG2 4.3Å; V383-D385 PolarHBondContact O-N 3.13Å; V383-L386 PolarHBondContact O-N 3.31Å; V383-L434 HydrophobicContact CG1-CD2 4.25Å; V383-I480 HydrophobicContact CB-CD1 4.45Å; V383-I480 HydrophobicContact CG1-CD1 4.03Å; V383-I480 HydrophobicContact CG2-CD1 3.7Å
384S93.9Very high96.7Very high1 Ų131.3 Ų31.31%0.00715%0.152CC..G310 helixtrans-64.2-22.7175.755.40000114.9W319 I321 N322 N382W319-S384 VanDerWaalsContact CD1-O 3.29Å; I321-S384 WeakPolarHBondContact O-CB 3.18Å; I321-S384 PolarHBondContact O-N 3.16Å; I321-S384 PolarHBondContact O-OG 3.45Å; N322-S384 PolarHBondContact OD1-OG 3.21Å; N382-S384 PolarHBondContact O-N 2.8Å
385D96.1Very high96.7Very high34 Ų3426.1 Ų26.118%0.18213%0.125CC..G310 helixtrans-102.4-1.5-174.7-68.3-51.7000113.2I381 N382 V383 P387 N558 R560I381-D385 HydrophobicContact CG1-CB 4.19Å; N382-D385 PolarHBondContact O-N 3.4Å; V383-D385 PolarHBondContact O-N 3.13Å; D385-P387 VanDerWaalsContact O-CD 3.28Å; D385-P387 WeakPolarHBondContact O-CD 3.41Å; D385-N558 WeakPolarHBondContact CB-O 3.44Å; D385-R560 WeakPolarHBondContact OD1-CG 3.42Å; D385-R560 PolarHBondContact OD1-N 3.02Å
386L96.5Very high96.5Very high2 Ų223.7 Ų23.71%0.0111%0.113CC..  trans-65.1118.9174.4-71.3170.2000110.3F325 L349 I381 N382 V383 V427 F428 Y487F325-L386 HydrophobicContact CB-CD1 4.18Å; F325-L386 HydrophobicContact CD2-CD1 3.63Å; F325-L386 HydrophobicContact CE2-CD1 4.2Å; F325-L386 HydrophobicContact CG-CD1 3.96Å; L349-L386 HydrophobicContact CD1-CD2 4.15Å; I381-L386 HydrophobicContact CD1-CD2 4.12Å; I381-L386 HydrophobicContact CG1-CD2 4.48Å; I381-L386 HydrophobicContact CG2-CD2 4.11Å; N382-L386 PolarHBondContact O-N 2.94Å; V383-L386 PolarHBondContact O-N 3.31Å; L386-V427 HydrophobicContact CD1-CG1 4.24Å; L386-F428 HydrophobicContact CB-CE2 4.11Å; L386-F428 HydrophobicContact CB-CZ 4.13Å; L386-Y487 WeakPolarHBondContact O-CE2 3.34Å
387P95.8Very high96.2Very high1 Ų118.6 Ų18.61%0.0069%0.094CC..  trans-68.4157.8173.827.9-35.2000111.2H351 L356 D385 M389 S390 F428 W557H351-P387 HydrophobicContact CB-CG 4.23Å; L356-P387 HydrophobicContact CD1-CG 3.88Å; L356-P387 HydrophobicContact CD2-CG 4.03Å; D385-P387 VanDerWaalsContact O-CD 3.28Å; D385-P387 WeakPolarHBondContact O-CD 3.41Å; P387-M389 PolarHBondContact O-N 3.38Å; P387-S390 WeakPolarHBondContact CD-OG 3.5Å; P387-S390 WeakPolarHBondContact CG-OG 3.3Å; P387-S390 WeakPolarHBondContact O-CB 3.41Å; P387-S390 PolarHBondContact O-N 2.89Å; P387-S390 PolarHBondContact O-OG 3.14Å; P387-F428 WeakPolarHBondContact O-CE2 3.23Å; P387-W557 WeakPolarHBondContact CD-O 3.29Å; P387-W557 HydrophobicContact CG-CB 4.47Å; P387-W557 WeakPolarHBondContact CG-O 3.47Å
388R95.1Very high95.9Very high13 Ų1318.7 Ų18.75%0.04910%0.095CC..THydrogen-bonded Turntrans-51.3-37.4-177.1177.957.3-172.183.4-5.1113.8S390 F428 D429 D432 Y487 P592 Y626R388-S390 VanDerWaalsContact C-N 3.35Å; R388-F428 VanDerWaalsContact O-CD2 3.27Å; R388-F428 WeakPolarHBondContact O-CD2 3.37Å; R388-D429 PolarHBondContact NH2-O 3.14Å; R388-D432 IonicContact CZ-OD1 3.93Å; R388-D432 IonicContact NE-OD1 3.59Å; R388-D432 PolarHBondContact NE-OD1 2.83Å; R388-D432 IonicContact NH2-OD1 3.34Å; R388-D432 PolarHBondContact NH2-OD1 3.11Å; R388-Y487 HydrophobicContact CB-CD1 4.02Å; R388-Y487 HydrophobicContact CB-CD2 4.17Å; R388-Y487 HydrophobicContact CB-CE1 3.78Å; R388-Y487 HydrophobicContact CB-CE2 3.95Å; R388-Y487 HydrophobicContact CB-CG 4.2Å; R388-Y487 HydrophobicContact CG-CD1 4.3Å; R388-Y487 HydrophobicContact CG-CE1 4.46Å; R388-Y487 HydrophobicContact CG-CG 4.49Å; R388-Y487 VanDerWaalsContact N-CE2 3.26Å; R388-P592 HydrophobicContact CG-CG 4.11Å; R388-Y626 PolarHBondContact NH1-OH 2.86Å
389M96.5Very high95.4Very high7 Ų715.4 Ų15.43%0.0348%0.081CC..THydrogen-bonded Turntrans-98.825-176.1-54.7-56.2-76.500113.3P387 R391 M426 P590 P592 S625 Y626P387-M389 PolarHBondContact O-N 3.38Å; M389-R391 PolarHBondContact O-N 3.44Å; M389-M426 HydrophobicContact CB-CE 4.25Å; M389-M426 HydrophobicContact CE-CE 4.03Å; M389-M426 HydrophobicContact SD-CE 4.33Å; M389-P590 HydrophobicContact CB-CB 4.08Å; M389-P590 HydrophobicContact CB-CG 4.11Å; M389-P590 HydrophobicContact CG-CB 4.41Å; M389-P590 WeakPolarHBondContact CG-O 3.37Å; M389-P592 HydrophobicContact CG-CG 4.22Å; M389-P592 HydrophobicContact SD-CG 3.81Å; M389-S625 WeakPolarHBondContact CE-OG 3.48Å; M389-Y626 HydrophobicContact CE-CE2 4.15Å; M389-Y626 HydrophobicContact SD-CE2 4.2Å
390S97.6Very high94.7Very high0 Ų018.5 Ų18.50%010%0.097CC..  trans-54.7121.3172.4-66.20000110.8P387 R388 V427P387-S390 WeakPolarHBondContact CD-OG 3.5Å; P387-S390 WeakPolarHBondContact CG-OG 3.3Å; P387-S390 WeakPolarHBondContact O-CB 3.41Å; P387-S390 PolarHBondContact O-N 2.89Å; P387-S390 PolarHBondContact O-OG 3.14Å; R388-S390 VanDerWaalsContact C-N 3.35Å; S390-V427 WeakPolarHBondContact O-CB 3.47Å; S390-V427 WeakPolarHBondContact O-CG2 3.34Å; S390-V427 PolarHBondContact O-N 2.83Å
391R97.6Very high93.3Very high4 Ų416.4 Ų16.42%0.0158%0.082CC..EExtended strand (participates in β ladder)trans-116.3130.2179.9-176.3179.9-69120.12.4109.5L349 F350 M389 N424 M426 V461 Y587 S625L349-R391 CarbonylContact C-O 3.49Å; L349-R391 WeakPolarHBondContact CA-O 3.49Å; F350-R391 PolarHBondContact N-O 2.8Å; F350-R391 PolarHBondContact O-N 2.85Å; M389-R391 PolarHBondContact O-N 3.44Å; R391-N424 HydrophobicContact CG-CB 4.23Å; R391-M426 HydrophobicContact CB-SD 4.15Å; R391-M426 HydrophobicContact CG-SD 4.25Å; R391-V461 HydrophobicContact CG-CG1 4.16Å; R391-Y587 PolarHBondContact NH1-OH 3.29Å; R391-S625 PolarHBondContact NH2-OG 3.47Å
392L97.8Very high91.6Very high0 Ų024.7 Ų24.70%012%0.118CC..EExtended strand (participates in β ladder)trans-96.6117.8173.3-171.362.8000108.7I327 L349 F379 F394 N424 T425 V427 I475 F477I327-L392 HydrophobicContact CG1-CD2 4.28Å; I327-L392 HydrophobicContact CG2-CD2 3.97Å; L349-L392 HydrophobicContact CD2-CB 4.27Å; L349-L392 HydrophobicContact CD2-CD1 3.79Å; L349-L392 HydrophobicContact CG-CD1 4.13Å; F379-L392 HydrophobicContact CE1-CD1 4.26Å; F379-L392 HydrophobicContact CE2-CD1 4.16Å; F379-L392 HydrophobicContact CZ-CD1 3.64Å; L392-F394 HydrophobicContact CB-CE2 4.37Å; L392-F394 HydrophobicContact CD1-CZ 4.3Å; L392-F394 HydrophobicContact CD2-CE1 4.42Å; L392-F394 HydrophobicContact CD2-CE2 3.51Å; L392-F394 HydrophobicContact CD2-CZ 3.33Å; L392-F394 HydrophobicContact CG-CD2 4.32Å; L392-F394 HydrophobicContact CG-CE1 4.43Å; L392-F394 HydrophobicContact CG-CE2 3.5Å; L392-F394 VanDerWaalsContact CG-CE2 3.5Å; L392-F394 HydrophobicContact CG-CZ 3.57Å; L392-N424 CarbonylContact O-C 3.55Å; L392-N424 WeakPolarHBondContact O-CA 3.44Å; L392-T425 HydrophobicContact CB-CG2 4.13Å; L392-T425 PolarHBondContact N-O 3.43Å; L392-T425 PolarHBondContact O-N 3.04Å; L392-V427 HydrophobicContact CB-CG2 4.25Å; L392-I475 HydrophobicContact CD2-CD1 4.28Å; L392-F477 HydrophobicContact CD2-CE1 4.43Å; L392-F477 HydrophobicContact CD2-CZ 4.35Å
393C97.4Very high89.5Confident0 Ų026.7 Ų26.70%013%0.132CC..EExtended strand (participates in β ladder)trans-111.5130.1-176.3-58.30000109.5A347 G348 F350 N424 L455A347-C393 CarbonylContact C-O 3.56Å; A347-C393 WeakPolarHBondContact CA-O 3.24Å; G348-C393 PolarHBondContact N-O 3.12Å; G348-C393 PolarHBondContact O-N 3.25Å; F350-C393 HydrophobicContact CD2-CB 3.85Å; F350-C393 VanDerWaalsContact CD2-SG 3.52Å; F350-C393 HydrophobicContact CE2-CB 3.93Å; C393-N424 WeakPolarHBondContact CA-OD1 3.43Å; C393-N424 WeakPolarHBondContact CB-OD1 3.32Å; C393-N424 PolarHBondContact SG-OD1 2.87Å; C393-L455 HydrophobicContact CB-CD1 4.46Å
394F96.8Very high87.1Confident0 Ų036.6 Ų36.60%018%0.175CC..EExtended strand (participates in β ladder)trans-120146.4178.9-62.7-85.5000111.8I327 V345 Q346 A347 L392 W422 V423 T425 L441 L473 I475I327-F394 HydrophobicContact CD1-CE1 4.13Å; I327-F394 HydrophobicContact CD1-CZ 4.1Å; V345-F394 HydrophobicContact CG1-CD1 3.91Å; Q346-F394 VanDerWaalsContact O-CA 3.26Å; Q346-F394 WeakPolarHBondContact O-CA 3.36Å; A347-F394 HydrophobicContact CB-CD1 3.64Å; A347-F394 HydrophobicContact CB-CE1 3.58Å; L392-F394 HydrophobicContact CB-CE2 4.37Å; L392-F394 HydrophobicContact CD1-CZ 4.3Å; L392-F394 HydrophobicContact CD2-CE1 4.42Å; L392-F394 HydrophobicContact CD2-CE2 3.51Å; L392-F394 HydrophobicContact CD2-CZ 3.33Å; L392-F394 HydrophobicContact CG-CD2 4.32Å; L392-F394 HydrophobicContact CG-CE1 4.43Å; L392-F394 HydrophobicContact CG-CE2 3.5Å; L392-F394 VanDerWaalsContact CG-CE2 3.5Å; L392-F394 HydrophobicContact CG-CZ 3.57Å; F394-W422 CarbonylContact O-C 3.46Å; F394-W422 WeakPolarHBondContact O-CA 3.05Å; F394-W422 WeakPolarHBondContact O-CB 3.21Å; F394-V423 HydrophobicContact CB-CG1 4.05Å; F394-V423 HydrophobicContact CD2-CG1 4.16Å; F394-V423 PolarHBondContact N-O 3.44Å; F394-V423 PolarHBondContact O-N 2.93Å; F394-T425 HydrophobicContact CE2-CG2 4.41Å; F394-L441 HydrophobicContact CD2-CD1 4.31Å; F394-L441 HydrophobicContact CE2-CD1 4.11Å; F394-L473 HydrophobicContact CB-CD2 4.02Å; F394-L473 HydrophobicContact CD1-CD2 3.82Å; F394-L473 HydrophobicContact CD2-CD2 4.33Å; F394-L473 HydrophobicContact CE1-CD2 4.3Å; F394-L473 HydrophobicContact CG-CD2 3.81Å; F394-I475 HydrophobicContact CE1-CG2 4.31Å; F394-I475 HydrophobicContact CE2-CD1 3.9Å; F394-I475 HydrophobicContact CE2-CG2 4.33Å; F394-I475 HydrophobicContact CZ-CD1 3.98Å; F394-I475 HydrophobicContact CZ-CG2 3.84Å
395A95.1Very high84.7Confident2 Ų245.1 Ų45.12%0.01721%0.212CC..EExtended strand (participates in β ladder)trans-136137.4164.500000110.8V345 Q346 Y397 A421 L454 L455V345-A395 WeakPolarHBondContact CA-O 3.42Å; Q346-A395 PolarHBondContact N-O 3.04Å; Q346-A395 PolarHBondContact O-N 3.03Å; A395-Y397 HydrophobicContact CB-CD2 4.21Å; A395-Y397 HydrophobicContact CB-CE2 3.5Å; A395-Y397 VanDerWaalsContact CB-CE2 3.5Å; A395-A421 CarbonylContact C-O 3.53Å; A395-A421 WeakPolarHBondContact CA-O 3.29Å; A395-L454 WeakPolarHBondContact CB-O 3.48Å; A395-L455 HydrophobicContact CB-CD2 3.64Å
396L94.4Very high82.2Confident2 Ų249.2 Ų49.21%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-101.2127.617617766000109V335 L343 V345 W373 I420 A421 M443V335-L396 HydrophobicContact CB-CD2 4.41Å; V335-L396 HydrophobicContact CG1-CD2 3.76Å; V335-L396 HydrophobicContact CG2-CD2 3.74Å; L343-L396 HydrophobicContact CB-CD1 4.4Å; L343-L396 HydrophobicContact CD2-CD1 4.38Å; V345-L396 HydrophobicContact CG2-CD1 3.84Å; W373-L396 HydrophobicContact CH2-CD1 3.84Å; W373-L396 HydrophobicContact CZ2-CD1 4.27Å; L396-I420 HydrophobicContact CD2-CB 4.39Å; L396-I420 HydrophobicContact CD2-CD1 4.33Å; L396-I420 HydrophobicContact CD2-CG2 4.26Å; L396-I420 HydrophobicContact CG-CB 4.28Å; L396-I420 HydrophobicContact CG-CD1 4.06Å; L396-I420 WeakPolarHBondContact O-CB 3.36Å; L396-I420 PolarHBondContact O-N 3.06Å; L396-A421 PolarHBondContact N-O 3.3Å; L396-A421 PolarHBondContact O-N 3.27Å; L396-M443 HydrophobicContact CB-CE 3.85Å; L396-M443 HydrophobicContact CB-SD 4.31Å; L396-M443 HydrophobicContact CD2-SD 4.4Å
397Y91Very high79.6Confident18 Ų1861.5 Ų61.57%0.07129%0.287CS..EExtended strand (participates in β ladder)trans-120.3147.1-177.2-76.5-85.8000111.9L343 V344 Q346 A395 D417 C418 P419 L454L343-Y397 VanDerWaalsContact CA-O 3.3Å; L343-Y397 WeakPolarHBondContact CA-O 3.46Å; V344-Y397 PolarHBondContact N-O 3.31Å; V344-Y397 PolarHBondContact O-N 2.93Å; Q346-Y397 HydrophobicContact CG-CD2 4.45Å; Q346-Y397 VanDerWaalsContact OE1-CE2 3.31Å; A395-Y397 HydrophobicContact CB-CD2 4.21Å; A395-Y397 HydrophobicContact CB-CE2 3.5Å; A395-Y397 VanDerWaalsContact CB-CE2 3.5Å; Y397-D417 HydrophobicContact CD1-CB 4.34Å; Y397-C418 WeakPolarHBondContact CA-O 3.43Å; Y397-P419 HydrophobicContact CD1-CB 4.16Å; Y397-P419 HydrophobicContact CE1-CB 3.58Å; Y397-P419 HydrophobicContact CE1-CG 4.4Å; Y397-L454 HydrophobicContact CE1-CD2 4.32Å; Y397-L454 HydrophobicContact CE2-CD2 4.36Å; Y397-L454 WeakPolarHBondContact CE2-O 3.45Å; Y397-L454 WeakPolarHBondContact OH-CA 3.47Å; Y397-L454 PolarHBondContact OH-O 2.91Å
398A90.6Very high77.2Confident2 Ų264.3 Ų64.32%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-101.7118.7156.900000109.8A337 M341 K342 C418 I420A337-A398 HydrophobicContact CB-CB 4.18Å; M341-A398 HydrophobicContact CB-CB 3.99Å; M341-A398 HydrophobicContact CG-CB 4.43Å; M341-A398 HydrophobicContact SD-CB 3.59Å; M341-A398 VanDerWaalsContact SD-CB 3.59Å; K342-A398 CarbonylContact O-C 3.54Å; K342-A398 VanDerWaalsContact O-CA 3.3Å; K342-A398 WeakPolarHBondContact O-CA 3.43Å; A398-C418 HydrophobicContact CB-CB 4.34Å; A398-C418 PolarHBondContact N-O 3.49Å; A398-C418 PolarHBondContact O-N 3.41Å; A398-I420 HydrophobicContact CB-CD1 3.86Å; A398-I420 HydrophobicContact CB-CG1 4.31Å
399V88.6Confident74.5Confident18 Ų1870.5 Ų70.511%0.10936%0.355CS..EExtended strand (participates in β ladder)trans-111.7146.3-179.9-58.10000110.3M341 K342 V344 E364 D417M341-V399 CarbonylContact C-O 3.49Å; M341-V399 WeakPolarHBondContact CA-O 2.93Å; M341-V399 WeakPolarHBondContact CB-O 3.36Å; K342-V399 HydrophobicContact CB-CG2 3.91Å; K342-V399 PolarHBondContact N-O 3.26Å; K342-V399 PolarHBondContact O-N 2.85Å; V344-V399 HydrophobicContact CG2-CG1 4.27Å; V344-V399 HydrophobicContact CG2-CG2 3.72Å; E364-V399 HydrophobicContact CG-CG2 4.39Å; V399-D417 HydrophobicContact CG1-CB 4.16Å
400I81.9Confident71.8Confident67 Ų6779.8 Ų79.834%0.34440%0.395SS..EExtended strand (participates in β ladder)trans-83133.5178.1-62.1174.6000109.1M341 K402 K415M341-I400 HydrophobicContact CE-CD1 4.48Å; M341-I400 HydrophobicContact CE-CG1 4.2Å; M341-I400 HydrophobicContact CG-CG1 4.33Å; M341-I400 HydrophobicContact SD-CG1 4.42Å; I400-K402 PolarHBondContact O-N 2.98Å; I400-K402 VanDerWaalsContact O-N 3.15Å; I400-K415 HydrophobicContact CD1-CB 3.24Å; I400-K415 HydrophobicContact CD1-CD 3.84Å; I400-K415 HydrophobicContact CD1-CG 4.17Å
401E67.6Low69.1Low101 Ų10190.4 Ų90.447%0.47244%0.442SS..  trans-54.9121.3176.5-166.6169.4-131.500110.3K342 T403K342-E401 VanDerWaalsContact CE-OE1 3.32Å; K342-E401 WeakPolarHBondContact CE-OE1 3.48Å; K342-E401 IonicContact NZ-OE1 3.26Å; E401-T403 PolarHBondContact O-N 3.32Å
402K61.2Low66.3Low186 Ų18699.6 Ų99.681%0.80948%0.482SS*.  trans-70.577177.5-72176.6-176.3161.20109.4I400 K404I400-K402 PolarHBondContact O-N 2.98Å; I400-K402 VanDerWaalsContact O-N 3.15Å; K402-K404 PolarHBondContact O-N 2.93Å
403T52.4Low63.5Low101 Ų101107.2 Ų107.262%0.6252%0.522SS*.  trans-65.6122.517142.50000109E401 K405E401-T403 PolarHBondContact O-N 3.32Å; T403-K405 PolarHBondContact O-N 3.36Å
404K44.9Very low61Low210 Ų210117.1 Ų117.191%0.91357%0.566SS**  trans-56.999170.6-77.6-180177.7173.50108.3K402K402-K404 PolarHBondContact O-N 2.93Å
405K43.8Very low58.9Low180 Ų180124.8 Ų124.878%0.78360%0.599SS**  trans-70.7133.1174.7-80.9-168.9176.3-177.40110.4T403T403-K405 PolarHBondContact O-N 3.36Å
406P43.2Very low57.5Low119 Ų119128.7 Ų128.777%0.77363%0.631SS**  trans-60.4146.2162.5-13.527.3000109.6G408P406-G408 PolarHBondContact O-N 3.17Å; P406-G408 VanDerWaalsContact O-N 3.11Å
407R42.8Very low56.6Low261 Ų261133.1 Ų133.199%0.98566%0.655SS**SBendtrans-54.7114.8174.9-77.8177.5172.7170.3-2.7110.1
408G45.2Very low56.3Low60 Ų60135.2 Ų135.262%0.61967%0.672SS**  trans152.5119.6164.900000115.2P406P406-G408 PolarHBondContact O-N 3.17Å; P406-G408 VanDerWaalsContact O-N 3.11Å
409T38.3Very low56.1Low142 Ų142137.3 Ų137.387%0.87169%0.685SS**  trans84.8114.9159.366.60000120.6
410K40.3Very low56.2Low202 Ų202138.1 Ų138.188%0.87869%0.688SS**  trans42.4115.1153.9-64.9-175.81791780119.2K412K410-K412 PolarHBondContact O-N 2.88Å
411K41.1Very low56.8Low223 Ų223135.1 Ų135.197%0.9767%0.673SS**  trans-42.296.4165.8-79.1176.7173.2176.10111.6
412K38.7Very low58.2Low197 Ų197131.8 Ų131.886%0.85766%0.657SS**  trans-88.8131.9152.2-87.2-177.3172.8178.80107.1K410 K414K410-K412 PolarHBondContact O-N 2.88Å; K412-K414 PolarHBondContact O-N 2.83Å
413N38.8Very low59.9Low160 Ų160123 Ų12386%0.85662%0.618SS**  trans-35.3123.6-179.1-69.3-17.6000112.4K415N413-K415 PolarHBondContact O-N 2.86Å
414K44.5Very low62Low209 Ų209118.3 Ų118.391%0.90959%0.589SS**  trans-54.6113.1164.9-94.1-178.8170.7-177.60106.7K412 A416K412-K414 PolarHBondContact O-N 2.83Å; K414-A416 PolarHBondContact O-N 3.2Å
415K53.5Low64.5Low161 Ų161108.6 Ų108.670%0.755%0.548SS*.PPolyproline II helixtrans-61.8122.2161.2-80.9-176.7174.2-172.50106I400 N413I400-K415 HydrophobicContact CD1-CB 3.24Å; I400-K415 HydrophobicContact CD1-CD 3.84Å; I400-K415 HydrophobicContact CD1-CG 4.17Å; N413-K415 PolarHBondContact O-N 2.86Å
416A65.4Low67Low84 Ų84100.3 Ų100.369%0.69451%0.512SS*.PPolyproline II helixtrans-73.9155.9-177.400000110.9K414 C418K414-A416 PolarHBondContact O-N 3.2Å; A416-C418 PolarHBondContact O-N 3.28Å
417D75.3Confident69.6Low95 Ų9594.6 Ų94.651%0.50848%0.475SS..PPolyproline II helixtrans-56135.3171-61.4-28.2000109.4Y397 V399 P419Y397-D417 HydrophobicContact CD1-CB 4.34Å; V399-D417 HydrophobicContact CG1-CB 4.16Å; D417-P419 WeakPolarHBondContact O-CD 3.35Å
418C83.7Confident72.2Confident62 Ų6282.2 Ų82.242%0.41943%0.428SS..EExtended strand (participates in β ladder)trans-101.3111.5-173.2-174.20000110Y397 A398 A416 I420Y397-C418 WeakPolarHBondContact CA-O 3.43Å; A398-C418 HydrophobicContact CB-CB 4.34Å; A398-C418 PolarHBondContact N-O 3.49Å; A398-C418 PolarHBondContact O-N 3.41Å; A416-C418 PolarHBondContact O-N 3.28Å; C418-I420 PolarHBondContact O-N 3.44Å
419P87.9Confident74.6Confident46 Ų4681 Ų8130%0.29941%0.408SS..EExtended strand (participates in β ladder)trans-69.7123.3172.828.7-32.8000109.5Y397 D417Y397-P419 HydrophobicContact CD1-CB 4.16Å; Y397-P419 HydrophobicContact CE1-CB 3.58Å; Y397-P419 HydrophobicContact CE1-CG 4.4Å; D417-P419 WeakPolarHBondContact O-CD 3.35Å
420I90.7Very high77.3Confident34 Ų3477 Ų7717%0.17438%0.377CS..EExtended strand (participates in β ladder)trans-92.6-57.3-178.9-61166.4000110V335 A337 L343 L396 A398 C418 S446V335-I420 HydrophobicContact CG1-CD1 4.37Å; A337-I420 HydrophobicContact CB-CD1 3.77Å; L343-I420 HydrophobicContact CD2-CD1 3.48Å; L343-I420 VanDerWaalsContact CD2-CD1 3.48Å; L396-I420 HydrophobicContact CD2-CB 4.39Å; L396-I420 HydrophobicContact CD2-CD1 4.33Å; L396-I420 HydrophobicContact CD2-CG2 4.26Å; L396-I420 HydrophobicContact CG-CB 4.28Å; L396-I420 HydrophobicContact CG-CD1 4.06Å; L396-I420 WeakPolarHBondContact O-CB 3.36Å; L396-I420 PolarHBondContact O-N 3.06Å; A398-I420 HydrophobicContact CB-CD1 3.86Å; A398-I420 HydrophobicContact CB-CG1 4.31Å; C418-I420 PolarHBondContact O-N 3.44Å; I420-S446 PolarHBondContact O-N 3.25Å
421A94.3Very high79.8Confident4 Ų471.8 Ų71.83%0.03335%0.354CS..EExtended strand (participates in β ladder)trans-154.7160.6-172.900000111.6A395 L396 M443 W444 S446A395-A421 CarbonylContact C-O 3.53Å; A395-A421 WeakPolarHBondContact CA-O 3.29Å; L396-A421 PolarHBondContact N-O 3.3Å; L396-A421 PolarHBondContact O-N 3.27Å; A421-M443 HydrophobicContact CB-CB 3.76Å; A421-M443 HydrophobicContact CB-CE 4.05Å; A421-M443 HydrophobicContact CB-SD 4.11Å; A421-W444 CarbonylContact C-O 3.09Å; A421-W444 WeakPolarHBondContact CA-O 3.49Å; A421-W444 VanDerWaalsContact CB-O 3.28Å; A421-W444 WeakPolarHBondContact CB-O 3.49Å; A421-S446 WeakPolarHBondContact CA-OG 3.07Å; A421-S446 PolarHBondContact N-OG 3.35Å
422W95.2Very high82.3Confident32 Ų3264.7 Ų64.712%0.12133%0.327CS..EExtended strand (participates in β ladder)trans-137.4155.4176.362.9-87.1000111.2F394 W444 P445 N456 T460F394-W422 CarbonylContact O-C 3.46Å; F394-W422 WeakPolarHBondContact O-CA 3.05Å; F394-W422 WeakPolarHBondContact O-CB 3.21Å; W422-W444 HydrophobicContact CD2-CB 3.98Å; W422-W444 VanDerWaalsContact CE2-CB 3.45Å; W422-W444 HydrophobicContact CE3-CB 4.49Å; W422-W444 HydrophobicContact CG-CB 4.48Å; W422-W444 HydrophobicContact CH2-CB 4.09Å; W422-W444 AromaticContact CH2-CD1 3.67Å; W422-W444 AromaticContact CH2-CG 3.88Å; W422-W444 HydrophobicContact CH2-CG 3.88Å; W422-W444 HydrophobicContact CZ2-CB 3.53Å; W422-W444 AromaticContact CZ2-CG 3.78Å; W422-W444 HydrophobicContact CZ2-CG 3.78Å; W422-W444 AromaticContact CZ3-CD1 3.81Å; W422-W444 HydrophobicContact CZ3-CG 4.36Å; W422-W444 PolarHBondContact N-O 3.07Å; W422-W444 PolarHBondContact O-N 3.34Å; W422-P445 PolarHBondContact NE1-O 3.49Å; W422-N456 HydrophobicContact CD2-CB 3.91Å; W422-N456 VanDerWaalsContact CE2-ND2 3.27Å; W422-N456 HydrophobicContact CE3-CB 4.14Å; W422-N456 HydrophobicContact CG-CB 4.07Å; W422-N456 VanDerWaalsContact CZ2-ND2 3.28Å; W422-N456 WeakPolarHBondContact CZ2-ND2 3.28Å; W422-T460 HydrophobicContact CH2-CG2 4.2Å
423V96.9Very high84.9Confident1 Ų157.3 Ų57.31%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-154.1141.6172.468.40000110.7F394 L441 M443F394-V423 HydrophobicContact CB-CG1 4.05Å; F394-V423 HydrophobicContact CD2-CG1 4.16Å; F394-V423 PolarHBondContact N-O 3.44Å; F394-V423 PolarHBondContact O-N 2.93Å; V423-L441 HydrophobicContact CG1-CB 3.93Å; V423-L441 HydrophobicContact CG1-CD1 4.04Å; V423-L441 HydrophobicContact CG2-CB 4Å; V423-M443 HydrophobicContact CB-CB 4.26Å; V423-M443 HydrophobicContact CB-CG 4.04Å; V423-M443 HydrophobicContact CG1-CE 4.11Å; V423-M443 HydrophobicContact CG1-CG 3.94Å
424N96.8Very high87.6Confident2 Ų249.8 Ų49.81%0.01126%0.255CS..EExtended strand (participates in β ladder)trans-116.8146.2176.8-58.1-22.3000109.9R391 L392 C393 N456 P457 G459 V461R391-N424 HydrophobicContact CG-CB 4.23Å; L392-N424 CarbonylContact O-C 3.55Å; L392-N424 WeakPolarHBondContact O-CA 3.44Å; C393-N424 WeakPolarHBondContact CA-OD1 3.43Å; C393-N424 WeakPolarHBondContact CB-OD1 3.32Å; C393-N424 PolarHBondContact SG-OD1 2.87Å; N424-N456 PolarHBondContact ND2-O 3.22Å; N424-P457 PolarHBondContact ND2-O 3.03Å; N424-G459 PolarHBondContact ND2-O 3.32Å; N424-V461 HydrophobicContact CB-CG1 4.17Å
425T97.5Very high90.1Very high7 Ų741.7 Ų41.74%0.04322%0.22CC..EExtended strand (participates in β ladder)trans-141.5142.3170.8176.60000110.1L392 F394 K435 L441 I475 F477L392-T425 HydrophobicContact CB-CG2 4.13Å; L392-T425 PolarHBondContact N-O 3.43Å; L392-T425 PolarHBondContact O-N 3.04Å; F394-T425 HydrophobicContact CE2-CG2 4.41Å; T425-K435 PolarHBondContact OG1-NZ 2.83Å; T425-L441 HydrophobicContact CG2-CD1 3.88Å; T425-I475 HydrophobicContact CG2-CD1 4.23Å; T425-F477 HydrophobicContact CG2-CZ 4.14Å
426M97.8Very high92Very high5 Ų536.7 Ų36.73%0.02520%0.203CC..EExtended strand (participates in β ladder)trans-67143169.1-58.7-53.7-68.800110.2M389 R391 F428 K435 V461 Y626M389-M426 HydrophobicContact CB-CE 4.25Å; M389-M426 HydrophobicContact CE-CE 4.03Å; M389-M426 HydrophobicContact SD-CE 4.33Å; R391-M426 HydrophobicContact CB-SD 4.15Å; R391-M426 HydrophobicContact CG-SD 4.25Å; M426-F428 WeakPolarHBondContact CB-O 3.43Å; M426-K435 VanDerWaalsContact O-CD 3.3Å; M426-K435 WeakPolarHBondContact O-CD 3.45Å; M426-K435 VanDerWaalsContact O-CE 3.29Å; M426-K435 WeakPolarHBondContact O-CE 3.43Å; M426-K435 PolarHBondContact O-NZ 3.02Å; M426-V461 HydrophobicContact CG-CB 4.39Å; M426-V461 HydrophobicContact CG-CG1 4.23Å; M426-V461 HydrophobicContact CG-CG2 4.38Å; M426-V461 HydrophobicContact SD-CG1 3.76Å; M426-Y626 HydrophobicContact CB-CE1 4.48Å; M426-Y626 HydrophobicContact CG-CE1 4.25Å
427V97.7Very high93.5Very high0 Ų034.1 Ų34.10%019%0.185CC..SBendtrans-74.1-35.9173.61740000110.8F325 L349 L386 S390 L392 L434 K435F325-V427 HydrophobicContact CE2-CG1 3.96Å; F325-V427 HydrophobicContact CZ-CG1 4.05Å; F325-V427 HydrophobicContact CZ-CG2 4.32Å; L349-V427 HydrophobicContact CD2-CG2 3.84Å; L386-V427 HydrophobicContact CD1-CG1 4.24Å; S390-V427 WeakPolarHBondContact O-CB 3.47Å; S390-V427 WeakPolarHBondContact O-CG2 3.34Å; S390-V427 PolarHBondContact O-N 2.83Å; L392-V427 HydrophobicContact CB-CG2 4.25Å; V427-L434 HydrophobicContact CG1-CD1 3.44Å; V427-L434 VanDerWaalsContact CG1-CD1 3.44Å; V427-K435 WeakPolarHBondContact O-CB 3.29Å; V427-K435 WeakPolarHBondContact O-CG 3.32Å; V427-K435 PolarHBondContact O-N 2.85Å
428F96.8Very high94.5Very high0 Ų033.7 Ų33.70%018%0.182CC..BIsolated β-bridgetrans-99.4149.8172.5-59.5-85.1000110.8L318 L386 P387 R388 M426 Q433 L434 Y487 Y626L318-F428 HydrophobicContact CD1-CE1 4.01Å; L318-F428 HydrophobicContact CD1-CZ 4.22Å; L318-F428 HydrophobicContact CD2-CE1 3.8Å; L318-F428 HydrophobicContact CD2-CZ 3.56Å; L386-F428 HydrophobicContact CB-CE2 4.11Å; L386-F428 HydrophobicContact CB-CZ 4.13Å; P387-F428 WeakPolarHBondContact O-CE2 3.23Å; R388-F428 VanDerWaalsContact O-CD2 3.27Å; R388-F428 WeakPolarHBondContact O-CD2 3.37Å; M426-F428 WeakPolarHBondContact CB-O 3.43Å; F428-Q433 CarbonylContact C-O 3.48Å; F428-Q433 VanDerWaalsContact CA-O 3.25Å; F428-Q433 WeakPolarHBondContact CA-O 3.41Å; F428-L434 HydrophobicContact CD1-CB 4.23Å; F428-L434 HydrophobicContact CD1-CD1 4.41Å; F428-L434 HydrophobicContact CE1-CB 4.06Å; F428-L434 HydrophobicContact CE1-CD1 4.02Å; F428-L434 HydrophobicContact CZ-CD1 4.28Å; F428-Y487 HydrophobicContact CE1-CD2 4.21Å; F428-Y487 HydrophobicContact CE2-CD2 4.35Å; F428-Y487 AromaticContact CZ-CD2 4Å; F428-Y487 HydrophobicContact CZ-CD2 4Å; F428-Y626 PolarHBondContact O-OH 3.46Å
429D95.4Very high95.1Very high36 Ų3633.2 Ų33.219%0.19317%0.173CC..  trans-85.3-174.7171.275.28.7000112.5R388 K431 D432 Q433 K435 Y626R388-D429 PolarHBondContact NH2-O 3.14Å; D429-K431 PolarHBondContact O-N 2.92Å; D429-K431 WeakPolarHBondContact OD1-CA 3.41Å; D429-K431 PolarHBondContact OD1-N 2.86Å; D429-D432 PolarHBondContact O-N 2.67Å; D429-D432 PolarHBondContact OD1-N 2.68Å; D429-Q433 PolarHBondContact N-O 2.78Å; D429-Q433 WeakPolarHBondContact OD1-CB 3.13Å; D429-Q433 PolarHBondContact OD1-N 3.49Å; D429-K435 HydrophobicContact CB-CG 4.48Å; D429-Y626 VanDerWaalsContact C-CE1 3.42Å; D429-Y626 VanDerWaalsContact O-CZ 3.27Å; D429-Y626 PolarHBondContact O-OH 2.73Å; D429-Y626 VanDerWaalsContact O-OH 3.08Å
430Y94.8Very high95.5Very high57 Ų5735.1 Ų35.122%0.22418%0.181CC..THydrogen-bonded Turntrans-71.9-11.4-178.472.6-79000113.4E135 E138E135-Y430 HydrophobicContact CB-CD1 3.73Å; E135-Y430 HydrophobicContact CB-CE1 3.87Å; E135-Y430 HydrophobicContact CB-CG 4.1Å; E135-Y430 HydrophobicContact CG-CD1 3.88Å; E135-Y430 HydrophobicContact CG-CD2 4.2Å; E135-Y430 HydrophobicContact CG-CE1 4.45Å; E135-Y430 HydrophobicContact CG-CG 3.76Å; E138-Y430 WeakPolarHBondContact OE2-CE2 3.1Å; E138-Y430 PolarHBondContact OE2-OH 2.91Å
431K93.2Very high95.8Very high93 Ų9333.6 Ų33.640%0.40417%0.173SC..THydrogen-bonded Turntrans-104.319.6177.1-74.3179.9163.2149.90112.3E138 D429 Q433 Y486E138-K431 WeakPolarHBondContact OE2-CE 3.45Å; E138-K431 IonicContact OE2-NZ 3.76Å; E138-K431 PolarHBondContact OE2-NZ 3.05Å; D429-K431 PolarHBondContact O-N 2.92Å; D429-K431 WeakPolarHBondContact OD1-CA 3.41Å; D429-K431 PolarHBondContact OD1-N 2.86Å; K431-Q433 PolarHBondContact O-N 3.34Å; K431-Q433 VanDerWaalsContact O-N 3.16Å; K431-Y486 WeakPolarHBondContact O-CD1 3.37Å
432D93.1Very high95.9Very high73 Ų7333.9 Ų33.939%0.3918%0.175SC..SBendtrans65.611.6-179.7-48.2-42.5000113.9R388 D429 Y486 Y487R388-D432 IonicContact CZ-OD1 3.93Å; R388-D432 IonicContact NE-OD1 3.59Å; R388-D432 PolarHBondContact NE-OD1 2.83Å; R388-D432 IonicContact NH2-OD1 3.34Å; R388-D432 PolarHBondContact NH2-OD1 3.11Å; D429-D432 PolarHBondContact O-N 2.67Å; D429-D432 PolarHBondContact OD1-N 2.68Å; D432-Y486 CarbonylContact O-C 3.59Å; D432-Y486 WeakPolarHBondContact O-CA 3.25Å; D432-Y487 PolarHBondContact O-N 3.08Å
433Q93.8Very high96Very high43 Ų4332.5 Ų32.520%0.20117%0.169CC..BIsolated β-bridgetrans-82.5134.1-179.1-163.1-177.3-37.100110.6F428 D429 K431 K435 P484 L485 Y486F428-Q433 CarbonylContact C-O 3.48Å; F428-Q433 VanDerWaalsContact CA-O 3.25Å; F428-Q433 WeakPolarHBondContact CA-O 3.41Å; D429-Q433 PolarHBondContact N-O 2.78Å; D429-Q433 WeakPolarHBondContact OD1-CB 3.13Å; D429-Q433 PolarHBondContact OD1-N 3.49Å; K431-Q433 PolarHBondContact O-N 3.34Å; K431-Q433 VanDerWaalsContact O-N 3.16Å; Q433-K435 PolarHBondContact O-N 3.08Å; Q433-P484 HydrophobicContact CG-CB 4.2Å; Q433-L485 CarbonylContact C-O 3.5Å; Q433-L485 WeakPolarHBondContact CA-O 3.48Å; Q433-L485 WeakPolarHBondContact CG-O 3.41Å; Q433-Y486 HydrophobicContact CB-CD1 3.86Å; Q433-Y486 HydrophobicContact CB-CE1 3.59Å; Q433-Y486 HydrophobicContact CG-CD1 4.21Å; Q433-Y486 HydrophobicContact CG-CE1 3.8Å; Q433-Y486 PolarHBondContact OE1-OH 3.05Å
434L95.3Very high95.9Very high2 Ų233.8 Ų33.81%0.0117%0.174CC..BIsolated β-bridgetrans-63.5124.2167.5-178.965.8000108.6L318 F325 V383 V427 F428 I480 L485L318-L434 HydrophobicContact CD1-CB 4.47Å; L318-L434 HydrophobicContact CD1-CD2 4.09Å; F325-L434 HydrophobicContact CE2-CD1 4.47Å; V383-L434 HydrophobicContact CG1-CD2 4.25Å; V427-L434 HydrophobicContact CG1-CD1 3.44Å; V427-L434 VanDerWaalsContact CG1-CD1 3.44Å; F428-L434 HydrophobicContact CD1-CB 4.23Å; F428-L434 HydrophobicContact CD1-CD1 4.41Å; F428-L434 HydrophobicContact CE1-CB 4.06Å; F428-L434 HydrophobicContact CE1-CD1 4.02Å; F428-L434 HydrophobicContact CZ-CD1 4.28Å; L434-I480 HydrophobicContact CD2-CD1 4.07Å; L434-L485 HydrophobicContact CB-CB 4.15Å; L434-L485 HydrophobicContact CD2-CB 4.47Å; L434-L485 HydrophobicContact CD2-CD1 4.05Å; L434-L485 PolarHBondContact N-O 3.32Å
435K95.9Very high95.7Very high38 Ų3837.9 Ų37.917%0.16520%0.201CC..PPolyproline II helixtrans-63.5143179.3-71-179.3-178.1168.50110.7T425 M426 V427 D429 Q433 F439 F477T425-K435 PolarHBondContact OG1-NZ 2.83Å; M426-K435 VanDerWaalsContact O-CD 3.3Å; M426-K435 WeakPolarHBondContact O-CD 3.45Å; M426-K435 VanDerWaalsContact O-CE 3.29Å; M426-K435 WeakPolarHBondContact O-CE 3.43Å; M426-K435 PolarHBondContact O-NZ 3.02Å; V427-K435 WeakPolarHBondContact O-CB 3.29Å; V427-K435 WeakPolarHBondContact O-CG 3.32Å; V427-K435 PolarHBondContact O-N 2.85Å; D429-K435 HydrophobicContact CB-CG 4.48Å; Q433-K435 PolarHBondContact O-N 3.08Å; K435-F439 HydrophobicContact CB-CE2 4.18Å; K435-F439 HydrophobicContact CB-CZ 4.1Å; K435-F439 HydrophobicContact CD-CE1 4.2Å; K435-F439 HydrophobicContact CD-CZ 4.03Å; K435-F439 HydrophobicContact CG-CZ 4.18Å; K435-F477 HydrophobicContact CB-CD1 4.2Å; K435-F477 HydrophobicContact CB-CD2 3.9Å; K435-F477 HydrophobicContact CB-CE1 4.39Å; K435-F477 HydrophobicContact CB-CE2 4.09Å; K435-F477 HydrophobicContact CB-CG 3.95Å; K435-F477 HydrophobicContact CB-CZ 4.34Å; K435-F477 HydrophobicContact CD-CE2 4.11Å; K435-F477 HydrophobicContact CD-CZ 4.3Å; K435-F477 WeakPolarHBondContact O-CB 3.34Å
436T95.4Very high95.2Very high57 Ų5738.8 Ų38.835%0.3521%0.208SC..  trans-138.3151.3175.961.90000110.1F439 P478T436-F439 WeakPolarHBondContact O-CE2 3.36Å; T436-P478 WeakPolarHBondContact CG2-O 3.45Å
437G96Very high94Very high30 Ų3044.3 Ų44.331%0.30924%0.241SC..EExtended strand (participates in β ladder)trans88.6-164.9177.800000114.6F439 R476 F477G437-F439 WeakPolarHBondContact O-CD2 3.3Å; G437-R476 CarbonylContact O-C 3.6Å; G437-R476 WeakPolarHBondContact O-CA 3.34Å; G437-F477 PolarHBondContact N-O 3.41Å; G437-F477 VanDerWaalsContact N-O 3.13Å; G437-F477 PolarHBondContact O-N 3.31Å
438D97.2Very high92.4Very high85 Ų8550 Ų5046%0.45528%0.278SS..EExtended strand (participates in β ladder)trans-90.7133.3-167.7-70.3-4000112.3L474 I475 R476D438-L474 HydrophobicContact CB-CD1 4.27Å; D438-I475 WeakPolarHBondContact CA-O 3.37Å; D438-R476 WeakPolarHBondContact OD1-CB 3.29Å; D438-R476 WeakPolarHBondContact OD1-CD 3.2Å; D438-R476 WeakPolarHBondContact OD1-CG 3.4Å; D438-R476 IonicContact OD1-CZ 3.06Å; D438-R476 IonicContact OD1-NE 2.77Å; D438-R476 PolarHBondContact OD1-NE 3.35Å; D438-R476 IonicContact OD1-NH2 3.65Å; D438-R476 PolarHBondContact OD1-NH2 2.92Å; D438-R476 IonicContact OD2-CZ 2.76Å; D438-R476 IonicContact OD2-NE 2.87Å; D438-R476 IonicContact OD2-NH2 3.25Å; D438-R476 PolarHBondContact OD2-NH2 3.42Å
439F96.3Very high90.5Very high52 Ų5254.3 Ų54.323%0.22830%0.302CS..EExtended strand (participates in β ladder)trans-132.7113.9178.8-70.2-99.7000110.5K435 T436 G437 L441 I475 F477K435-F439 HydrophobicContact CB-CE2 4.18Å; K435-F439 HydrophobicContact CB-CZ 4.1Å; K435-F439 HydrophobicContact CD-CE1 4.2Å; K435-F439 HydrophobicContact CD-CZ 4.03Å; K435-F439 HydrophobicContact CG-CZ 4.18Å; T436-F439 WeakPolarHBondContact O-CE2 3.36Å; G437-F439 WeakPolarHBondContact O-CD2 3.3Å; F439-L441 HydrophobicContact CB-CD2 4.06Å; F439-I475 HydrophobicContact CB-CG1 4.12Å; F439-I475 PolarHBondContact N-O 2.75Å; F439-I475 PolarHBondContact O-N 3.02Å; F439-F477 AromaticContact CD2-CD2 3.53Å; F439-F477 HydrophobicContact CD2-CD2 3.53Å; F439-F477 AromaticContact CD2-CE2 3.98Å; F439-F477 HydrophobicContact CD2-CE2 3.98Å; F439-F477 AromaticContact CE2-CD2 3.71Å; F439-F477 HydrophobicContact CE2-CD2 3.71Å; F439-F477 HydrophobicContact CE2-CE2 4.28Å; F439-F477 HydrophobicContact CG-CD2 4.37Å; F439-F477 HydrophobicContact CG-CE2 4.4Å
440L95.9Very high88.3Confident87 Ų8760.9 Ų60.946%0.45534%0.337SS..EExtended strand (participates in β ladder)trans-80.5117.3165.5-176.561.8000109.2K463 L474L440-K463 PolarHBondContact O-NZ 3.05Å; L440-L474 HydrophobicContact CB-CD1 4.3Å; L440-L474 HydrophobicContact CD1-CB 4.38Å
441L96.6Very high86.2Confident2 Ų262.2 Ų62.21%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-107.4103.6-177.7-55.8-175.9000110F394 V423 T425 F439 M443 G472 L473 I475F394-L441 HydrophobicContact CD2-CD1 4.31Å; F394-L441 HydrophobicContact CE2-CD1 4.11Å; V423-L441 HydrophobicContact CG1-CB 3.93Å; V423-L441 HydrophobicContact CG1-CD1 4.04Å; V423-L441 HydrophobicContact CG2-CB 4Å; T425-L441 HydrophobicContact CG2-CD1 3.88Å; F439-L441 HydrophobicContact CB-CD2 4.06Å; L441-M443 PolarHBondContact O-N 3.41Å; L441-G472 CarbonylContact O-C 3.54Å; L441-G472 WeakPolarHBondContact O-CA 3.46Å; L441-L473 WeakPolarHBondContact CB-O 2.92Å; L441-L473 PolarHBondContact N-O 2.95Å; L441-L473 PolarHBondContact O-N 3.06Å; L441-I475 HydrophobicContact CD1-CD1 3.67Å; L441-I475 HydrophobicContact CD1-CG1 4.01Å; L441-I475 HydrophobicContact CG-CD1 4.45Å; L441-I475 HydrophobicContact CG-CG1 4.34Å
442S96.4Very high84.2Confident10 Ų1063.2 Ų63.27%0.0736%0.363CS..EExtended strand (participates in β ladder)trans-69.9120.8172.2-55.50000110.2N464S442-N464 WeakPolarHBondContact CB-O 3.34Å; S442-N464 PolarHBondContact O-N 3.18Å
443M96.6Very high82.6Confident2 Ų265.2 Ų65.21%0.0137%0.373CS..PPolyproline II helixtrans-88.6154.3-169-51.7-17777.300112.8L396 A421 V423 L441 N464 A471 L473L396-M443 HydrophobicContact CB-CE 3.85Å; L396-M443 HydrophobicContact CB-SD 4.31Å; L396-M443 HydrophobicContact CD2-SD 4.4Å; A421-M443 HydrophobicContact CB-CB 3.76Å; A421-M443 HydrophobicContact CB-CE 4.05Å; A421-M443 HydrophobicContact CB-SD 4.11Å; V423-M443 HydrophobicContact CB-CB 4.26Å; V423-M443 HydrophobicContact CB-CG 4.04Å; V423-M443 HydrophobicContact CG1-CE 4.11Å; V423-M443 HydrophobicContact CG1-CG 3.94Å; L441-M443 PolarHBondContact O-N 3.41Å; M443-N464 VanDerWaalsContact O-CB 3.31Å; M443-N464 WeakPolarHBondContact O-CB 3.42Å; M443-N464 PolarHBondContact O-ND2 3.37Å; M443-A471 WeakPolarHBondContact CB-O 3.41Å; M443-A471 WeakPolarHBondContact CG-O 3.22Å; M443-A471 PolarHBondContact N-O 3.36Å; M443-L473 HydrophobicContact CG-CB 4.37Å; M443-L473 HydrophobicContact SD-CB 4.07Å
444W95.1Very high81.6Confident28 Ų2866.3 Ų66.311%0.10638%0.38CS..EExtended strand (participates in β ladder)trans-91.4140.6172.6-65.196.7000110.1A421 W422 T460 Q462 N464 A660A421-W444 CarbonylContact C-O 3.09Å; A421-W444 WeakPolarHBondContact CA-O 3.49Å; A421-W444 VanDerWaalsContact CB-O 3.28Å; A421-W444 WeakPolarHBondContact CB-O 3.49Å; W422-W444 HydrophobicContact CD2-CB 3.98Å; W422-W444 VanDerWaalsContact CE2-CB 3.45Å; W422-W444 HydrophobicContact CE3-CB 4.49Å; W422-W444 HydrophobicContact CG-CB 4.48Å; W422-W444 HydrophobicContact CH2-CB 4.09Å; W422-W444 AromaticContact CH2-CD1 3.67Å; W422-W444 AromaticContact CH2-CG 3.88Å; W422-W444 HydrophobicContact CH2-CG 3.88Å; W422-W444 HydrophobicContact CZ2-CB 3.53Å; W422-W444 AromaticContact CZ2-CG 3.78Å; W422-W444 HydrophobicContact CZ2-CG 3.78Å; W422-W444 AromaticContact CZ3-CD1 3.81Å; W422-W444 HydrophobicContact CZ3-CG 4.36Å; W422-W444 PolarHBondContact N-O 3.07Å; W422-W444 PolarHBondContact O-N 3.34Å; W444-T460 HydrophobicContact CZ2-CG2 3.94Å; W444-Q462 PolarHBondContact NE1-O 3.25Å; W444-N464 HydrophobicContact CD2-CB 4.04Å; W444-N464 HydrophobicContact CE3-CB 4.31Å; W444-N464 HydrophobicContact CG-CB 4.46Å; W444-N464 HydrophobicContact CH2-CB 4.5Å; W444-N464 HydrophobicContact CZ2-CB 4.26Å; W444-A660 HydrophobicContact CH2-CB 3.89Å; W444-A660 HydrophobicContact CZ3-CB 4.03Å
445P92.1Very high81.2Confident88 Ų8867 Ų6757%0.57138%0.384SS*.EExtended strand (participates in β ladder)trans-63.7140.7175.427.7-33.9000110.3W422W422-P445 PolarHBondContact NE1-O 3.49Å
446S87.5Confident80.8Confident27 Ų2768 Ų6819%0.18939%0.391CS..PPolyproline II helixtrans-78.4134.6171.7-64.70000109.8I420 A421I420-S446 PolarHBondContact O-N 3.25Å; A421-S446 WeakPolarHBondContact CA-OG 3.07Å; A421-S446 PolarHBondContact N-OG 3.35Å
447V73.4Confident80.6Confident120 Ų12066.3 Ų66.373%0.72738%0.381SS*.PPolyproline II helixtrans-95.3129.1171.7-176.70000107D449V447-D449 PolarHBondContact O-N 3.09Å
448P63.1Low80.2Confident119 Ų11968.1 Ų68.177%0.77338%0.382SS*.  trans-62.8104.1173.1-14.527.4000108.4
449D57.3Low79.8Confident92 Ų9264.6 Ų64.649%0.49237%0.366SS..  trans-99.5155.4170-161.6-1.4000108.6V447 K451V447-D449 PolarHBondContact O-N 3.09Å; D449-K451 PolarHBondContact O-N 2.95Å
450D48.4Very low79.7Confident174 Ų17463.3 Ų63.393%0.9336%0.363SS*.SBendtrans-64.1-8.1176-80.8-26.8000111.9
451K52.4Low79.6Confident84 Ų8460.3 Ų60.337%0.36535%0.347SS..SBendtrans-89.9123.7177.4-64.6-177.9-174.7169.50111.4D449 D453D449-K451 PolarHBondContact O-N 2.95Å; K451-D453 PolarHBondContact O-N 3.16Å
452S50.3Low79.5Confident115 Ų11562 Ų6280%0.80436%0.355SS*.  trans-72.727.3173.962.10000114.1L454S452-L454 PolarHBondContact O-N 2.74Å
453D59.5Low79.3Confident114 Ų11466.1 Ų66.161%0.6137%0.372SS*.  trans-75.5124-179-71.6-25.8000109.5K451 L455K451-D453 PolarHBondContact O-N 3.16Å; D453-L455 VanDerWaalsContact C-N 3.33Å; D453-L455 PolarHBondContact O-N 2.98Å
454L72.1Confident79.2Confident67 Ų6766.9 Ų66.935%0.35138%0.376SS..SBendtrans-77.8-16-170.8-74.8171.8000114.1A395 Y397 S452A395-L454 WeakPolarHBondContact CB-O 3.48Å; Y397-L454 HydrophobicContact CE1-CD2 4.32Å; Y397-L454 HydrophobicContact CE2-CD2 4.36Å; Y397-L454 WeakPolarHBondContact CE2-O 3.45Å; Y397-L454 WeakPolarHBondContact OH-CA 3.47Å; Y397-L454 PolarHBondContact OH-O 2.91Å; S452-L454 PolarHBondContact O-N 2.74Å
455L87.1Confident79Confident17 Ų1769.4 Ų69.49%0.08940%0.396CS..  trans-138.6158.7-179.4-69.3172.8000108.8Q346 F350 M359 C393 A395 D453 P457Q346-L455 HydrophobicContact CB-CD2 4.4Å; F350-L455 HydrophobicContact CE2-CD1 3.65Å; F350-L455 HydrophobicContact CZ-CB 4.48Å; F350-L455 HydrophobicContact CZ-CD1 3.99Å; M359-L455 HydrophobicContact CG-CD1 4.27Å; M359-L455 HydrophobicContact SD-CD1 3.71Å; M359-L455 HydrophobicContact SD-CG 4.42Å; C393-L455 HydrophobicContact CB-CD1 4.46Å; A395-L455 HydrophobicContact CB-CD2 3.64Å; D453-L455 VanDerWaalsContact C-N 3.33Å; D453-L455 PolarHBondContact O-N 2.98Å; L455-P457 WeakPolarHBondContact O-CD 3.38Å
456N89.1Confident78.9Confident58 Ų5869.2 Ų69.231%0.3139%0.39SS..  trans-113.971.4176.3-175.317.9000111.7W422 N424 M458 G459W422-N456 HydrophobicContact CD2-CB 3.91Å; W422-N456 VanDerWaalsContact CE2-ND2 3.27Å; W422-N456 HydrophobicContact CE3-CB 4.14Å; W422-N456 HydrophobicContact CG-CB 4.07Å; W422-N456 VanDerWaalsContact CZ2-ND2 3.28Å; W422-N456 WeakPolarHBondContact CZ2-ND2 3.28Å; N424-N456 PolarHBondContact ND2-O 3.22Å; N456-M458 VanDerWaalsContact C-N 3.29Å; N456-M458 PolarHBondContact O-N 3.44Å; N456-G459 PolarHBondContact O-N 3.36Å; N456-G459 PolarHBondContact OD1-N 2.88Å
457P90.1Very high79Confident22 Ų2271.6 Ų71.614%0.14340%0.404CS..THydrogen-bonded Turntrans-62-36.4-176.925.7-34.1000112.3F350 N424 L455 G459 Y587F350-P457 HydrophobicContact CB-CB 4.45Å; F350-P457 HydrophobicContact CD1-CB 3.74Å; F350-P457 HydrophobicContact CD1-CG 4.16Å; F350-P457 HydrophobicContact CD2-CB 4.27Å; F350-P457 HydrophobicContact CE1-CB 3.98Å; F350-P457 HydrophobicContact CE1-CG 3.95Å; F350-P457 HydrophobicContact CE2-CB 4.48Å; F350-P457 HydrophobicContact CG-CB 3.9Å; F350-P457 HydrophobicContact CZ-CB 4.34Å; F350-P457 HydrophobicContact CZ-CG 4.35Å; N424-P457 PolarHBondContact ND2-O 3.03Å; L455-P457 WeakPolarHBondContact O-CD 3.38Å; P457-G459 PolarHBondContact O-N 3.33Å; P457-G459 VanDerWaalsContact O-N 3.13Å; P457-Y587 VanDerWaalsContact C-CZ 3.5Å; P457-Y587 PolarHBondContact O-OH 3.32Å
458M87.6Confident79.7Confident67 Ų6771.9 Ų71.933%0.3340%0.401SS..THydrogen-bonded Turntrans-64.3-14.4176.2-66.9-171.666.500114N456 Y587 Y623N456-M458 VanDerWaalsContact C-N 3.29Å; N456-M458 PolarHBondContact O-N 3.44Å; M458-Y587 HydrophobicContact CB-CD1 4.5Å; M458-Y587 HydrophobicContact CB-CE1 4.41Å; M458-Y587 HydrophobicContact CG-CD1 3.68Å; M458-Y587 HydrophobicContact CG-CE1 3.75Å; M458-Y587 HydrophobicContact CG-CG 4.19Å; M458-Y623 HydrophobicContact CE-CE1 4.07Å; M458-Y623 WeakPolarHBondContact CE-OH 3.4Å
459G89.6Confident81Confident12 Ų1270 Ų7012%0.12439%0.391CS..SBendtrans-6615617800000113.4N424 N456 P457N424-G459 PolarHBondContact ND2-O 3.32Å; N456-G459 PolarHBondContact O-N 3.36Å; N456-G459 PolarHBondContact OD1-N 2.88Å; P457-G459 PolarHBondContact O-N 3.33Å; P457-G459 VanDerWaalsContact O-N 3.13Å
460T93.4Very high82.7Confident25 Ų2566.2 Ų66.215%0.15337%0.372CS..  trans-57.3147.9178.3-173.70000112.5W422 W444 Q462W422-T460 HydrophobicContact CH2-CG2 4.2Å; W444-T460 HydrophobicContact CZ2-CG2 3.94Å; T460-Q462 VanDerWaalsContact C-N 3.32Å; T460-Q462 HydrophobicContact CG2-CB 4.4Å; T460-Q462 WeakPolarHBondContact OG1-CB 3.49Å; T460-Q462 PolarHBondContact OG1-N 2.73Å; T460-Q462 VanDerWaalsContact OG1-N 3.1Å
461V94.5Very high85Confident23 Ų2358.6 Ų58.614%0.13933%0.334CS..SBendtrans-87.6-4.2169.8-61.90000112.9R391 N424 M426 S625R391-V461 HydrophobicContact CG-CG1 4.16Å; N424-V461 HydrophobicContact CB-CG1 4.17Å; M426-V461 HydrophobicContact CG-CB 4.39Å; M426-V461 HydrophobicContact CG-CG1 4.23Å; M426-V461 HydrophobicContact CG-CG2 4.38Å; M426-V461 HydrophobicContact SD-CG1 3.76Å; V461-S625 WeakPolarHBondContact CG2-O 3.12Å
462Q93.1Very high87.1Confident38 Ų3854.7 Ų54.718%0.17832%0.317CS..SBendtrans-73.8137.8173.7-65.7-64.6-33.400109.8W444 T460W444-Q462 PolarHBondContact NE1-O 3.25Å; T460-Q462 VanDerWaalsContact C-N 3.32Å; T460-Q462 HydrophobicContact CG2-CB 4.4Å; T460-Q462 WeakPolarHBondContact OG1-CB 3.49Å; T460-Q462 PolarHBondContact OG1-N 2.73Å; T460-Q462 VanDerWaalsContact OG1-N 3.1Å
463K92.3Very high89.4Confident97 Ų9749.3 Ų49.342%0.42228%0.279SS..PPolyproline II helixtrans-66.1151.9175.1-57.7-176.7-175-172.60109.9L440 P465L440-K463 PolarHBondContact O-NZ 3.05Å; K463-P465 WeakPolarHBondContact O-CD 3.23Å
464N94.6Very high91.2Very high17 Ų1745.2 Ų45.29%0.09126%0.257CS..PPolyproline II helixtrans-63.1120.6172-173.4-16.7000109.7S442 M443 W444 N466 A470S442-N464 WeakPolarHBondContact CB-O 3.34Å; S442-N464 PolarHBondContact O-N 3.18Å; M443-N464 VanDerWaalsContact O-CB 3.31Å; M443-N464 WeakPolarHBondContact O-CB 3.42Å; M443-N464 PolarHBondContact O-ND2 3.37Å; W444-N464 HydrophobicContact CD2-CB 4.04Å; W444-N464 HydrophobicContact CE3-CB 4.31Å; W444-N464 HydrophobicContact CG-CB 4.46Å; W444-N464 HydrophobicContact CH2-CB 4.5Å; W444-N464 HydrophobicContact CZ2-CB 4.26Å; N464-N466 PolarHBondContact O-N 3.27Å; N464-N466 WeakPolarHBondContact OD1-CB 3.13Å; N464-N466 PolarHBondContact OD1-N 3.41Å; N464-A470 HydrophobicContact CB-CB 4.34Å
465P90.9Very high92.4Very high82 Ų8242 Ų4253%0.53224%0.24SC..SBendtrans-69.2-15.5-178.127.9-34.8000113.2K463 V467 A660K463-P465 WeakPolarHBondContact O-CD 3.23Å; P465-V467 PolarHBondContact O-N 2.97Å; P465-A660 HydrophobicContact CG-CB 3.89Å
466N90.7Very high93Very high83 Ų8346 Ų4644%0.44425%0.254SS..  trans-8061.1175.3-1739000111.7N464 D468 S469 A470N464-N466 PolarHBondContact O-N 3.27Å; N464-N466 WeakPolarHBondContact OD1-CB 3.13Å; N464-N466 PolarHBondContact OD1-N 3.41Å; N466-D468 PolarHBondContact O-N 3.19Å; N466-S469 PolarHBondContact O-N 2.93Å; N466-A470 WeakPolarHBondContact O-CB 3.41Å; N466-A470 PolarHBondContact O-N 3.22Å
467V89.1Confident93.4Very high77 Ų7743.2 Ų43.247%0.46724%0.24SC..THydrogen-bonded Turntrans-61.5-25-174.4-61.80000113.5K334 P465K334-V467 PolarHBondContact NZ-O 2.77Å; P465-V467 PolarHBondContact O-N 2.97Å
468D88.1Confident93.4Very high127 Ų12742.4 Ų42.468%0.67923%0.234SC*.THydrogen-bonded Turntrans-74.6-33.9-176.4-65.6-33.3000112.7K334 N466K334-D468 WeakPolarHBondContact CD-O 3.37Å; K334-D468 VanDerWaalsContact NZ-C 3.31Å; K334-D468 PolarHBondContact NZ-O 3.12Å; N466-D468 PolarHBondContact O-N 3.19Å
469S90.1Very high93.6Very high80 Ų8044.8 Ų44.856%0.55925%0.248SC*.THydrogen-bonded Turntrans-116.7-19.1-174.8-52.60000114.5N466N466-S469 PolarHBondContact O-N 2.93Å
470A94.6Very high93.5Very high12 Ų1245.6 Ų45.610%0.09925%0.249CC..SBendtrans-71.9144.9-178.800000111.6N464 N466N464-A470 HydrophobicContact CB-CB 4.34Å; N466-A470 WeakPolarHBondContact O-CB 3.41Å; N466-A470 PolarHBondContact O-N 3.22Å
471A96.2Very high93.2Very high14 Ų1449 Ų4912%0.11626%0.259CS..  trans-57.7141167.500000109.7S333 M443S333-A471 CarbonylContact O-C 3.58Å; S333-A471 VanDerWaalsContact O-CA 3.3Å; S333-A471 WeakPolarHBondContact O-CA 3.32Å; M443-A471 WeakPolarHBondContact CB-O 3.41Å; M443-A471 WeakPolarHBondContact CG-O 3.22Å; M443-A471 PolarHBondContact N-O 3.36Å
472G96.9Very high92.7Very high2 Ų253.4 Ų53.42%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-120.5149.5179.200000111.8G332 S333 L441G332-G472 CarbonylContact C-O 3.46Å; G332-G472 VanDerWaalsContact CA-O 3.23Å; G332-G472 WeakPolarHBondContact CA-O 3.42Å; S333-G472 PolarHBondContact N-O 2.7Å; S333-G472 PolarHBondContact O-N 2.84Å; S333-G472 WeakPolarHBondContact OG-CA 3.41Å; S333-G472 PolarHBondContact OG-N 2.85Å; S333-G472 PolarHBondContact OG-O 3.5Å; L441-G472 CarbonylContact O-C 3.54Å; L441-G472 WeakPolarHBondContact O-CA 3.46Å
473L97.5Very high92.4Very high1 Ų155.5 Ų55.51%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-123.4117.8173.5-162.268.3000109.6L329 V345 W373 F394 L441 M443 I475L329-L473 HydrophobicContact CD1-CD1 3.66Å; L329-L473 HydrophobicContact CD1-CD2 4.09Å; L329-L473 HydrophobicContact CD1-CG 3.91Å; V345-L473 HydrophobicContact CG1-CD2 4.14Å; V345-L473 HydrophobicContact CG2-CD1 4.08Å; W373-L473 HydrophobicContact CZ3-CD1 4.4Å; F394-L473 HydrophobicContact CB-CD2 4.02Å; F394-L473 HydrophobicContact CD1-CD2 3.82Å; F394-L473 HydrophobicContact CD2-CD2 4.33Å; F394-L473 HydrophobicContact CE1-CD2 4.3Å; F394-L473 HydrophobicContact CG-CD2 3.81Å; L441-L473 WeakPolarHBondContact CB-O 2.92Å; L441-L473 PolarHBondContact N-O 2.95Å; L441-L473 PolarHBondContact O-N 3.06Å; M443-L473 HydrophobicContact CG-CB 4.37Å; M443-L473 HydrophobicContact SD-CB 4.07Å; L473-I475 HydrophobicContact CD2-CG2 4.17Å; L473-I475 HydrophobicContact CG-CG2 4.19Å
474L98.1Very high92.2Very high28 Ų2853.1 Ų53.115%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-88.4118.2172.9-176.364.6000109.4V330 H331 D438 L440V330-L474 HydrophobicContact CB-CB 4.27Å; V330-L474 HydrophobicContact CB-CD2 4.02Å; V330-L474 HydrophobicContact CB-CG 4.04Å; V330-L474 WeakPolarHBondContact CB-O 3.36Å; V330-L474 HydrophobicContact CG1-CD2 3.97Å; V330-L474 HydrophobicContact CG2-CD2 4.45Å; V330-L474 HydrophobicContact CG2-CG 4.3Å; V330-L474 PolarHBondContact N-O 2.95Å; H331-L474 VanDerWaalsContact CD2-CD2 3.47Å; H331-L474 WeakPolarHBondContact CD2-CD2 3.46Å; H331-L474 WeakPolarHBondContact NE2-CD2 3.44Å; H331-L474 PolarHBondContact O-N 3.46Å; D438-L474 HydrophobicContact CB-CD1 4.27Å; L440-L474 HydrophobicContact CB-CD1 4.3Å; L440-L474 HydrophobicContact CD1-CB 4.38Å
475I98.1Very high92.1Very high0 Ų052.7 Ų52.70%029%0.29CS..EExtended strand (participates in β ladder)trans-120155.4173.366.9166.9000110.4H328 L329 L392 F394 T425 D438 F439 L441 L473 F477H328-I475 CarbonylContact O-C 3.52Å; H328-I475 WeakPolarHBondContact O-CA 3.34Å; L329-I475 HydrophobicContact CD1-CG2 4.41Å; L392-I475 HydrophobicContact CD2-CD1 4.28Å; F394-I475 HydrophobicContact CE1-CG2 4.31Å; F394-I475 HydrophobicContact CE2-CD1 3.9Å; F394-I475 HydrophobicContact CE2-CG2 4.33Å; F394-I475 HydrophobicContact CZ-CD1 3.98Å; F394-I475 HydrophobicContact CZ-CG2 3.84Å; T425-I475 HydrophobicContact CG2-CD1 4.23Å; D438-I475 WeakPolarHBondContact CA-O 3.37Å; F439-I475 HydrophobicContact CB-CG1 4.12Å; F439-I475 PolarHBondContact N-O 2.75Å; F439-I475 PolarHBondContact O-N 3.02Å; L441-I475 HydrophobicContact CD1-CD1 3.67Å; L441-I475 HydrophobicContact CD1-CG1 4.01Å; L441-I475 HydrophobicContact CG-CD1 4.45Å; L441-I475 HydrophobicContact CG-CG1 4.34Å; L473-I475 HydrophobicContact CD2-CG2 4.17Å; L473-I475 HydrophobicContact CG-CG2 4.19Å; I475-F477 HydrophobicContact CD1-CD2 4.34Å; I475-F477 HydrophobicContact CD1-CE2 3.72Å; I475-F477 HydrophobicContact CD1-CZ 4.13Å; I475-F477 HydrophobicContact CG1-CE2 4.49Å
476R98.3Very high92.1Very high100 Ų10051.8 Ų51.838%0.37728%0.277SS..EExtended strand (participates in β ladder)trans-122.3119.4172.6175.4-179-65.6147.46.6110.2H328 V330 G437 D438H328-R476 HydrophobicContact CB-CB 4.16Å; H328-R476 PolarHBondContact N-O 3.06Å; H328-R476 PolarHBondContact O-N 2.78Å; V330-R476 HydrophobicContact CG2-CB 4.33Å; G437-R476 CarbonylContact O-C 3.6Å; G437-R476 WeakPolarHBondContact O-CA 3.34Å; D438-R476 WeakPolarHBondContact OD1-CB 3.29Å; D438-R476 WeakPolarHBondContact OD1-CD 3.2Å; D438-R476 WeakPolarHBondContact OD1-CG 3.4Å; D438-R476 IonicContact OD1-CZ 3.06Å; D438-R476 IonicContact OD1-NE 2.77Å; D438-R476 PolarHBondContact OD1-NE 3.35Å; D438-R476 IonicContact OD1-NH2 3.65Å; D438-R476 PolarHBondContact OD1-NH2 2.92Å; D438-R476 IonicContact OD2-CZ 2.76Å; D438-R476 IonicContact OD2-NE 2.87Å; D438-R476 IonicContact OD2-NH2 3.25Å; D438-R476 PolarHBondContact OD2-NH2 3.42Å
477F97.1Very high92.1Very high1 Ų148.8 Ų48.80%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-75.5143.5168.3-76.6-87.1000110.5F325 I327 L392 T425 K435 G437 F439 I475F325-F477 HydrophobicContact CZ-CD1 4.2Å; F325-F477 HydrophobicContact CZ-CE1 4.11Å; I327-F477 HydrophobicContact CG2-CD1 4.11Å; I327-F477 HydrophobicContact CG2-CE1 4.28Å; L392-F477 HydrophobicContact CD2-CE1 4.43Å; L392-F477 HydrophobicContact CD2-CZ 4.35Å; T425-F477 HydrophobicContact CG2-CZ 4.14Å; K435-F477 HydrophobicContact CB-CD1 4.2Å; K435-F477 HydrophobicContact CB-CD2 3.9Å; K435-F477 HydrophobicContact CB-CE1 4.39Å; K435-F477 HydrophobicContact CB-CE2 4.09Å; K435-F477 HydrophobicContact CB-CG 3.95Å; K435-F477 HydrophobicContact CB-CZ 4.34Å; K435-F477 HydrophobicContact CD-CE2 4.11Å; K435-F477 HydrophobicContact CD-CZ 4.3Å; K435-F477 WeakPolarHBondContact O-CB 3.34Å; G437-F477 PolarHBondContact N-O 3.41Å; G437-F477 VanDerWaalsContact N-O 3.13Å; G437-F477 PolarHBondContact O-N 3.31Å; F439-F477 AromaticContact CD2-CD2 3.53Å; F439-F477 HydrophobicContact CD2-CD2 3.53Å; F439-F477 AromaticContact CD2-CE2 3.98Å; F439-F477 HydrophobicContact CD2-CE2 3.98Å; F439-F477 AromaticContact CE2-CD2 3.71Å; F439-F477 HydrophobicContact CE2-CD2 3.71Å; F439-F477 HydrophobicContact CE2-CE2 4.28Å; F439-F477 HydrophobicContact CG-CD2 4.37Å; F439-F477 HydrophobicContact CG-CE2 4.4Å; I475-F477 HydrophobicContact CD1-CD2 4.34Å; I475-F477 HydrophobicContact CD1-CE2 3.72Å; I475-F477 HydrophobicContact CD1-CZ 4.13Å; I475-F477 HydrophobicContact CG1-CE2 4.49Å
478P91.9Very high92Very high5 Ų545.9 Ų45.93%0.03224%0.242CC..  trans-70.8141.4-174.430.9-36.2000111.4Y326 T436 I480Y326-P478 HydrophobicContact CD2-CB 4.27Å; Y326-P478 HydrophobicContact CE1-CB 3.96Å; Y326-P478 HydrophobicContact CE2-CB 3.61Å; Y326-P478 HydrophobicContact CE2-CG 4.48Å; Y326-P478 VanDerWaalsContact CZ-CB 3.43Å; Y326-P478 WeakPolarHBondContact O-CD 3.28Å; Y326-P478 VanDerWaalsContact O-CG 3.27Å; Y326-P478 WeakPolarHBondContact O-CG 3.42Å; Y326-P478 WeakPolarHBondContact OH-CB 3.15Å; T436-P478 WeakPolarHBondContact CG2-O 3.45Å; P478-I480 HydrophobicContact CB-CG1 4.08Å; P478-I480 HydrophobicContact CG-CD1 4.29Å; P478-I480 HydrophobicContact CG-CG1 4.1Å; P478-I480 PolarHBondContact O-N 3.49Å
479N90.6Very high91.5Very high117 Ų11743.4 Ų43.463%0.62623%0.233SC*.  trans-95.783.1169.2-165.112.6000109.5R481N479-R481 PolarHBondContact OD1-O 3.33Å
480I88.2Confident90.6Very high28 Ų2840.7 Ų40.714%0.14421%0.212CC..  trans-70.5-35.9-171.4-56.1171.9000111.8I321 V383 L434 P478 L485I321-I480 HydrophobicContact CD1-CG2 4.28Å; I321-I480 HydrophobicContact CG2-CD1 4.38Å; I321-I480 HydrophobicContact CG2-CG2 3.87Å; V383-I480 HydrophobicContact CB-CD1 4.45Å; V383-I480 HydrophobicContact CG1-CD1 4.03Å; V383-I480 HydrophobicContact CG2-CD1 3.7Å; L434-I480 HydrophobicContact CD2-CD1 4.07Å; P478-I480 HydrophobicContact CB-CG1 4.08Å; P478-I480 HydrophobicContact CG-CD1 4.29Å; P478-I480 HydrophobicContact CG-CG1 4.1Å; P478-I480 PolarHBondContact O-N 3.49Å; I480-L485 HydrophobicContact CB-CD1 4.26Å; I480-L485 HydrophobicContact CD1-CD1 4.45Å
481R86.3Confident88.8Confident97 Ų9748 Ų4837%0.36624%0.244SC..SBendtrans-132.8153.1-177.9-67.3-61.4-172.8-145.1-2109.9I321 N479 H483 L485I321-R481 HydrophobicContact CD1-CG 4.01Å; N479-R481 PolarHBondContact OD1-O 3.33Å; R481-H483 PolarHBondContact O-N 3.1Å; R481-L485 HydrophobicContact CB-CD2 4.43Å; R481-L485 HydrophobicContact CG-CD1 4.38Å; R481-L485 HydrophobicContact CG-CD2 4.15Å
482P84.4Confident86.7Confident116 Ų11655.6 Ų55.675%0.75327%0.274SS*.SBendtrans-67-18176.826-33.5000113.5
483H86.1Confident84.8Confident82 Ų8257.4 Ų57.438%0.3829%0.285SS..SBendtrans-108.3148.8177.5-57.391000110.5N314 R481N314-H483 WeakPolarHBondContact O-CB 2.97Å; N314-H483 PolarHBondContact O-CD2 3.29Å; R481-H483 PolarHBondContact O-N 3.1Å
484P89Confident82.6Confident46 Ų4664.7 Ų64.730%0.29932%0.322SS..  trans-53.3139.5173.6-28.136.5000113.4Q433 Y486Q433-P484 HydrophobicContact CG-CB 4.2Å; P484-Y486 HydrophobicContact CB-CD2 4.47Å; P484-Y486 HydrophobicContact CB-CE2 3.7Å
485L91.2Very high80.4Confident8 Ų868.5 Ų68.54%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-103.1131.4174.5-65.9175.4000109.3S316 I321 Q433 L434 I480 R481S316-L485 WeakPolarHBondContact O-CD2 3.31Å; I321-L485 HydrophobicContact CG1-CD1 4.05Å; Q433-L485 CarbonylContact C-O 3.5Å; Q433-L485 WeakPolarHBondContact CA-O 3.48Å; Q433-L485 WeakPolarHBondContact CG-O 3.41Å; L434-L485 HydrophobicContact CB-CB 4.15Å; L434-L485 HydrophobicContact CD2-CB 4.47Å; L434-L485 HydrophobicContact CD2-CD1 4.05Å; L434-L485 PolarHBondContact N-O 3.32Å; I480-L485 HydrophobicContact CB-CD1 4.26Å; I480-L485 HydrophobicContact CD1-CD1 4.45Å; R481-L485 HydrophobicContact CB-CD2 4.43Å; R481-L485 HydrophobicContact CG-CD1 4.38Å; R481-L485 HydrophobicContact CG-CD2 4.15Å
486Y90.9Very high78.1Confident64 Ų6471.6 Ų71.625%0.25136%0.363SS..EExtended strand (participates in β ladder)trans-116.4145.1178.3-66.2-88.2000110.7T315 L318 K431 D432 Q433 P484T315-Y486 HydrophobicContact CG2-CD2 3.95Å; T315-Y486 HydrophobicContact CG2-CE2 3.86Å; L318-Y486 WeakPolarHBondContact CB-O 3.3Å; L318-Y486 PolarHBondContact N-O 3.34Å; K431-Y486 WeakPolarHBondContact O-CD1 3.37Å; D432-Y486 CarbonylContact O-C 3.59Å; D432-Y486 WeakPolarHBondContact O-CA 3.25Å; Q433-Y486 HydrophobicContact CB-CD1 3.86Å; Q433-Y486 HydrophobicContact CB-CE1 3.59Å; Q433-Y486 HydrophobicContact CG-CD1 4.21Å; Q433-Y486 HydrophobicContact CG-CE1 3.8Å; Q433-Y486 PolarHBondContact OE1-OH 3.05Å; P484-Y486 HydrophobicContact CB-CD2 4.47Å; P484-Y486 HydrophobicContact CB-CE2 3.7Å
487Y91.3Very high75.6Confident20 Ų2074 Ų748%0.07838%0.378CS..  trans-64.1128.3169-168-89.9000109.1L318 L386 R388 F428 D432 L490L318-Y487 HydrophobicContact CD2-CD2 3.84Å; L318-Y487 HydrophobicContact CD2-CE2 4.4Å; L386-Y487 WeakPolarHBondContact O-CE2 3.34Å; R388-Y487 HydrophobicContact CB-CD1 4.02Å; R388-Y487 HydrophobicContact CB-CD2 4.17Å; R388-Y487 HydrophobicContact CB-CE1 3.78Å; R388-Y487 HydrophobicContact CB-CE2 3.95Å; R388-Y487 HydrophobicContact CB-CG 4.2Å; R388-Y487 HydrophobicContact CG-CD1 4.3Å; R388-Y487 HydrophobicContact CG-CE1 4.46Å; R388-Y487 HydrophobicContact CG-CG 4.49Å; R388-Y487 VanDerWaalsContact N-CE2 3.26Å; F428-Y487 HydrophobicContact CE1-CD2 4.21Å; F428-Y487 HydrophobicContact CE2-CD2 4.35Å; F428-Y487 AromaticContact CZ-CD2 4Å; F428-Y487 HydrophobicContact CZ-CD2 4Å; D432-Y487 PolarHBondContact O-N 3.08Å; Y487-L490 HydrophobicContact CE1-CD1 4.13Å; Y487-L490 HydrophobicContact CE1-CD2 4.26Å; Y487-L490 HydrophobicContact CE1-CG 4.04Å
488P86.6Confident73.3Confident15 Ų1581.1 Ų81.110%0.09741%0.414CS..  trans-65.3138-176.1-26.938.7000112.5S317 W319 L490S317-P488 WeakPolarHBondContact OG-CG 3.38Å; W319-P488 HydrophobicContact CD2-CB 4.26Å; W319-P488 HydrophobicContact CD2-CG 3.65Å; W319-P488 HydrophobicContact CE3-CB 4.29Å; W319-P488 HydrophobicContact CE3-CG 4.07Å; W319-P488 HydrophobicContact CG-CG 3.93Å; W319-P488 HydrophobicContact CH2-CB 4.27Å; W319-P488 HydrophobicContact CZ2-CB 4.2Å; W319-P488 HydrophobicContact CZ2-CG 4.24Å; W319-P488 HydrophobicContact CZ3-CB 4.3Å; P488-L490 PolarHBondContact O-N 3.31Å; P488-L490 VanDerWaalsContact O-N 3.07Å
489P77.8Confident70.9Confident76 Ų7687.4 Ų87.449%0.49445%0.447SS..  trans-68.4109172.726.9-32.3000109.7E491 K492P489-E491 PolarHBondContact O-N 2.89Å; P489-K492 HydrophobicContact CG-CD 4.26Å; P489-K492 PolarHBondContact O-N 3Å; P489-K492 VanDerWaalsContact O-N 3.1Å
490L71.1Confident68.8Low23 Ų2384.3 Ų84.312%0.1244%0.443CS..THydrogen-bonded Turntrans-65.7-6.9-179.8-57.9-179.1000113.6W319 Y487 P488 T493 V564 V567 K571W319-L490 HydrophobicContact CH2-CD2 3.62Å; W319-L490 HydrophobicContact CZ2-CD2 3.53Å; Y487-L490 HydrophobicContact CE1-CD1 4.13Å; Y487-L490 HydrophobicContact CE1-CD2 4.26Å; Y487-L490 HydrophobicContact CE1-CG 4.04Å; P488-L490 PolarHBondContact O-N 3.31Å; P488-L490 VanDerWaalsContact O-N 3.07Å; L490-T493 PolarHBondContact O-OG1 3.21Å; L490-T493 VanDerWaalsContact O-OG1 3.04Å; L490-V564 HydrophobicContact CD2-CG2 4.09Å; L490-V567 HydrophobicContact CB-CG1 3.99Å; L490-V567 HydrophobicContact CD1-CB 4.03Å; L490-V567 HydrophobicContact CD1-CG1 3.89Å; L490-V567 HydrophobicContact CD1-CG2 3.79Å; L490-K571 PolarHBondContact O-NZ 3.11Å
491E56.7Low66.8Low164 Ų16489.7 Ų89.777%0.76647%0.472SS*.THydrogen-bonded Turntrans-73.4-28.8172.9-66.3175.2177.500112.6P489P489-E491 PolarHBondContact O-N 2.89Å
492K53Low64.9Low175 Ų17591 Ų9176%0.76149%0.491SS*.SBendtrans-103.4-3.5-173.5-64.4-176.5-179.2176.30113.9P489 I494P489-K492 HydrophobicContact CG-CD 4.26Å; P489-K492 PolarHBondContact O-N 3Å; P489-K492 VanDerWaalsContact O-N 3.1Å; K492-I494 PolarHBondContact O-N 2.78Å
493T56.9Low63.8Low39 Ų3991.3 Ų91.324%0.23949%0.486CS..SBendtrans-75122.9175.345.50000108.5W319 L490 D495W319-T493 HydrophobicContact CH2-CG2 3.61Å; W319-T493 HydrophobicContact CZ3-CG2 3.5Å; W319-T493 VanDerWaalsContact CZ3-CG2 3.5Å; L490-T493 PolarHBondContact O-OG1 3.21Å; L490-T493 VanDerWaalsContact O-OG1 3.04Å; T493-D495 PolarHBondContact O-N 2.81Å
494I51.7Low62.9Low155 Ų15596 Ų9680%0.79551%0.506SS*.  trans-45.6130.3174.4-56.6171.6000107K492 P496K492-I494 PolarHBondContact O-N 2.78Å; I494-P496 WeakPolarHBondContact O-CD 3.14Å
495D51.8Low62.4Low107 Ų10795.5 Ų95.557%0.57250%0.502SS*.  trans-46.9113.6168.1-88.9-39.4000105.9T493 E497 S568T493-D495 PolarHBondContact O-N 2.81Å; D495-E497 PolarHBondContact O-N 3.42Å; D495-S568 PolarHBondContact OD1-OG 2.92Å
496P49.8Very low62.1Low66 Ų6697.6 Ų97.643%0.42952%0.518SS..  trans-53.1118.6167.523.1-29.8000103.7I494 M498 V564I494-P496 WeakPolarHBondContact O-CD 3.14Å; P496-M498 PolarHBondContact O-N 3.24Å; P496-M498 VanDerWaalsContact O-N 3.1Å; P496-V564 HydrophobicContact CG-CG1 4.43Å
497E44.6Very low61.8Low149 Ų149102.5 Ų102.570%0.69654%0.54SS*.  trans-38.9129176.5-71.8178.7159.500106.4D495 N499D495-E497 PolarHBondContact O-N 3.42Å; E497-N499 PolarHBondContact O-N 3.14Å; E497-N499 PolarHBondContact OE2-ND2 2.98Å
498M49Very low61.6Low152 Ų152107 Ų10775%0.74957%0.566SS**  trans-63.863.6168.4-72.3-170.49000108.1P496 G500 I538P496-M498 PolarHBondContact O-N 3.24Å; P496-M498 VanDerWaalsContact O-N 3.1Å; M498-G500 PolarHBondContact O-N 2.91Å; M498-I538 HydrophobicContact CE-CD1 3.8Å; M498-I538 HydrophobicContact CE-CG1 3.94Å
499N42.7Very low61.6Low136 Ų136108.5 Ų108.573%0.72757%0.572SS**  trans-78.259165.1-73-21.7000106.4E497E497-N499 PolarHBondContact O-N 3.14Å; E497-N499 PolarHBondContact OE2-ND2 2.98Å
500G45.8Very low62Low53 Ų53108.6 Ų108.655%0.54656%0.563SS.*  trans-105.5118.3159.700000105.9M498 T502M498-G500 PolarHBondContact O-N 2.91Å; G500-T502 PolarHBondContact O-N 3.38Å; G500-T502 VanDerWaalsContact O-N 3.16Å
501N46Very low62.8Low141 Ų141111.9 Ų111.975%0.75458%0.58SS**  trans-37.6126.2158.7-81.9-15.3000108.4D503N501-D503 PolarHBondContact O-N 2.9Å
502T47.6Very low64.3Low124 Ų124110 Ų11076%0.76157%0.569SS**  trans-68.263.8165.446.80000108.8G500 F504G500-T502 PolarHBondContact O-N 3.38Å; G500-T502 VanDerWaalsContact O-N 3.16Å; T502-F504 PolarHBondContact O-N 3.19Å
503D60Low66Low123 Ų123101.6 Ų101.666%0.65853%0.533SS*.  trans-76.3101.4164-85.8-21.8000105.8N501N501-D503 PolarHBondContact O-N 2.9Å
504F68.1Low67.4Low181 Ų181104.4 Ų104.479%0.79454%0.542SS*.PPolyproline II helixtrans-54.2134.2169.6-72.3-86000108.7T502 S506T502-F504 PolarHBondContact O-N 3.19Å; F504-S506 PolarHBondContact O-N 2.93Å
505P78.6Confident69.1Low34 Ų34103.7 Ų103.722%0.22154%0.535CS..PPolyproline II helixtrans-57.3133.9178.124-32.7000109.1L536 E539P505-L536 HydrophobicContact CB-CD1 4.47Å; P505-L536 HydrophobicContact CB-CD2 3.96Å; P505-E539 HydrophobicContact CG-CG 4.35Å
506S83.9Confident70.7Confident53 Ų5399 Ų9937%0.37151%0.51SS..PPolyproline II helixtrans-60.8153.4171.164.50000109.7F504 D508 E509 Y510F504-S506 PolarHBondContact O-N 2.93Å; S506-D508 PolarHBondContact O-N 2.83Å; S506-D508 VanDerWaalsContact O-N 3.15Å; S506-E509 WeakPolarHBondContact CB-OE2 3.45Å; S506-E509 PolarHBondContact N-OE2 3.01Å; S506-E509 PolarHBondContact O-N 3.49Å; S506-E509 VanDerWaalsContact O-N 3.1Å; S506-E509 WeakPolarHBondContact OG-CB 3.42Å; S506-E509 VanDerWaalsContact OG-CD 3.26Å; S506-E509 WeakPolarHBondContact OG-CG 3.22Å; S506-E509 PolarHBondContact OG-N 3.08Å; S506-E509 PolarHBondContact OG-OE2 3.22Å; S506-Y510 PolarHBondContact O-N 3.47Å
507K84.6Confident72.3Confident166 Ų16696.3 Ų96.372%0.72249%0.491SS*.Hα-helixtrans-55-36.2179-173.6178.4177.1-177.90111.9L511K507-L511 HydrophobicContact CG-CD1 4.21Å; K507-L511 WeakPolarHBondContact O-CB 3.42Å; K507-L511 VanDerWaalsContact O-CG 3.24Å; K507-L511 WeakPolarHBondContact O-CG 3.43Å; K507-L511 PolarHBondContact O-N 2.91Å
508D86.4Confident73.9Confident115 Ų11593.8 Ų93.862%0.61548%0.483SS*.Hα-helixtrans-71.6-39.5179.7-64.1-20.9000112.1S506 L511 K512S506-D508 PolarHBondContact O-N 2.83Å; S506-D508 VanDerWaalsContact O-N 3.15Å; D508-L511 PolarHBondContact O-N 3.45Å; D508-K512 WeakPolarHBondContact O-CG 3.44Å; D508-K512 PolarHBondContact O-N 3.42Å
509E87.6Confident75.1Confident46 Ų4689.6 Ų89.622%0.21546%0.463CS..Hα-helixtrans-63.8-42.3174-76.1168.4133.200111.6S506 K512 L513 L532 K535 L536S506-E509 WeakPolarHBondContact CB-OE2 3.45Å; S506-E509 PolarHBondContact N-OE2 3.01Å; S506-E509 PolarHBondContact O-N 3.49Å; S506-E509 VanDerWaalsContact O-N 3.1Å; S506-E509 WeakPolarHBondContact OG-CB 3.42Å; S506-E509 VanDerWaalsContact OG-CD 3.26Å; S506-E509 WeakPolarHBondContact OG-CG 3.22Å; S506-E509 PolarHBondContact OG-N 3.08Å; S506-E509 PolarHBondContact OG-OE2 3.22Å; E509-K512 PolarHBondContact O-N 3.34Å; E509-L513 WeakPolarHBondContact O-CB 2.86Å; E509-L513 PolarHBondContact O-N 3.24Å; E509-L532 HydrophobicContact CB-CD1 4.12Å; E509-L532 HydrophobicContact CG-CD1 3.96Å; E509-K535 IonicContact OE1-NZ 3.97Å; E509-K535 PolarHBondContact OE1-NZ 3.4Å; E509-L536 HydrophobicContact CB-CD1 4.3Å
510Y86.8Confident76.1Confident78 Ų7891.1 Ų91.131%0.30646%0.464SS..Hα-helixtrans-66.9-39.1176.9-173.2-92.3000112.3S506 L513 K514S506-Y510 PolarHBondContact O-N 3.47Å; Y510-L513 PolarHBondContact O-N 3.08Å; Y510-K514 WeakPolarHBondContact O-CB 3.41Å; Y510-K514 PolarHBondContact O-N 2.92Å
511L87.5Confident76.7Confident92 Ų9292 Ų9248%0.48246%0.456SS..Hα-helixtrans-62.9-44175.2-76.7169.7000111.6K507 D508 K514 E515K507-L511 HydrophobicContact CG-CD1 4.21Å; K507-L511 WeakPolarHBondContact O-CB 3.42Å; K507-L511 VanDerWaalsContact O-CG 3.24Å; K507-L511 WeakPolarHBondContact O-CG 3.43Å; K507-L511 PolarHBondContact O-N 2.91Å; D508-L511 PolarHBondContact O-N 3.45Å; L511-K514 PolarHBondContact O-N 2.95Å; L511-E515 PolarHBondContact O-N 3.34Å
512K87.8Confident77.5Confident124 Ų12488.1 Ų88.154%0.53943%0.431SS..Hα-helixtrans-63.3-43.9174.1-74.4-179.2179.7-174.30112.2D508 E509 K514 E515 I516 L532D508-K512 WeakPolarHBondContact O-CG 3.44Å; D508-K512 PolarHBondContact O-N 3.42Å; E509-K512 PolarHBondContact O-N 3.34Å; K512-K514 VanDerWaalsContact C-N 3.29Å; K512-K514 PolarHBondContact O-N 2.88Å; K512-E515 WeakPolarHBondContact O-CB 3.42Å; K512-E515 PolarHBondContact O-N 3.04Å; K512-I516 VanDerWaalsContact O-CG1 3.27Å; K512-I516 WeakPolarHBondContact O-CG1 3.48Å; K512-I516 PolarHBondContact O-N 3.3Å; K512-L532 HydrophobicContact CB-CD2 3.93Å
513L88.6Confident78Confident0 Ų087.7 Ų87.70%043%0.429CS..Hα-helixtrans-55-49.1175.1174.263.5000110.5E509 Y510 E515 I516 M517 L533 L536 E539 V540 F544E509-L513 WeakPolarHBondContact O-CB 2.86Å; E509-L513 PolarHBondContact O-N 3.24Å; Y510-L513 PolarHBondContact O-N 3.08Å; L513-E515 VanDerWaalsContact C-N 3.34Å; L513-E515 PolarHBondContact O-N 3.43Å; L513-I516 PolarHBondContact O-N 3.39Å; L513-M517 HydrophobicContact CD1-CE 4.3Å; L513-M517 HydrophobicContact CD1-CG 3.92Å; L513-M517 HydrophobicContact CD1-SD 4.42Å; L513-M517 HydrophobicContact CG-CG 4.28Å; L513-M517 VanDerWaalsContact O-CG 3.27Å; L513-M517 WeakPolarHBondContact O-CG 3.44Å; L513-M517 PolarHBondContact O-N 3.16Å; L513-L533 HydrophobicContact CD1-CD2 3.44Å; L513-L533 VanDerWaalsContact CD1-CD2 3.44Å; L513-L536 HydrophobicContact CB-CD1 4.24Å; L513-L536 HydrophobicContact CD2-CB 4.34Å; L513-L536 HydrophobicContact CD2-CD1 4.07Å; L513-E539 HydrophobicContact CD2-CB 4.08Å; L513-V540 HydrophobicContact CD1-CG2 3.9Å; L513-F544 HydrophobicContact CD2-CD2 4.36Å; L513-F544 HydrophobicContact CD2-CE2 4.02Å; L513-F544 HydrophobicContact CG-CE2 4.13Å
514K87.2Confident78.4Confident97 Ų9789.6 Ų89.642%0.42243%0.434SS..Hα-helixtrans-60-43.5178.7-173.7176.5-179.4-178.20112.1Y510 L511 K512 I516 M517 D518 F544Y510-K514 WeakPolarHBondContact O-CB 3.41Å; Y510-K514 PolarHBondContact O-N 2.92Å; L511-K514 PolarHBondContact O-N 2.95Å; K512-K514 VanDerWaalsContact C-N 3.29Å; K512-K514 PolarHBondContact O-N 2.88Å; K514-I516 VanDerWaalsContact C-N 3.34Å; K514-I516 PolarHBondContact O-N 3.06Å; K514-M517 PolarHBondContact O-N 3.34Å; K514-D518 WeakPolarHBondContact CE-OD2 3.2Å; K514-D518 WeakPolarHBondContact CG-OD2 3.43Å; K514-D518 VanDerWaalsContact O-CB 3.26Å; K514-D518 WeakPolarHBondContact O-CB 3.36Å; K514-D518 VanDerWaalsContact O-CG 3.28Å; K514-D518 PolarHBondContact O-N 2.92Å; K514-F544 HydrophobicContact CB-CZ 4.3Å; K514-F544 HydrophobicContact CG-CZ 4.32Å
515E86.3Confident79Confident140 Ų14082.4 Ų82.465%0.65440%0.402SS*.Hα-helixtrans-58.9-44.1175.8-174.7176.9-175.400112.1L511 K512 L513 N519L511-E515 PolarHBondContact O-N 3.34Å; K512-E515 WeakPolarHBondContact O-CB 3.42Å; K512-E515 PolarHBondContact O-N 3.04Å; L513-E515 VanDerWaalsContact C-N 3.34Å; L513-E515 PolarHBondContact O-N 3.43Å; E515-N519 WeakPolarHBondContact O-CB 3.33Å; E515-N519 PolarHBondContact O-N 3.17Å
516I85.1Confident79.4Confident9 Ų987.7 Ų87.75%0.04642%0.422CS..Hα-helixtrans-67.6-40.8178.7-61.8163.2000111.3K512 L513 K514 Y522 F525 E529 L532 L533 K550K512-I516 VanDerWaalsContact O-CG1 3.27Å; K512-I516 WeakPolarHBondContact O-CG1 3.48Å; K512-I516 PolarHBondContact O-N 3.3Å; L513-I516 PolarHBondContact O-N 3.39Å; K514-I516 VanDerWaalsContact C-N 3.34Å; K514-I516 PolarHBondContact O-N 3.06Å; I516-Y522 HydrophobicContact CB-CE2 4.47Å; I516-Y522 HydrophobicContact CG2-CE2 4.12Å; I516-F525 HydrophobicContact CG2-CD1 4.19Å; I516-F525 HydrophobicContact CG2-CE1 3.74Å; I516-E529 HydrophobicContact CD1-CB 4.12Å; I516-E529 HydrophobicContact CD1-CG 3.95Å; I516-L532 HydrophobicContact CD1-CD2 4.27Å; I516-L533 HydrophobicContact CG2-CD1 4.12Å; I516-L533 HydrophobicContact CG2-CD2 4.17Å; I516-L533 HydrophobicContact CG2-CG 4.49Å; I516-K550 PolarHBondContact O-NZ 2.87Å
517M84.3Confident79.6Confident9 Ų990.3 Ų90.34%0.04443%0.428CS..Hα-helixtrans-69.4-44.6179.5-66.5-58.395.200111.8L513 K514 N519 L533 V540 F544 C547 K550L513-M517 HydrophobicContact CD1-CE 4.3Å; L513-M517 HydrophobicContact CD1-CG 3.92Å; L513-M517 HydrophobicContact CD1-SD 4.42Å; L513-M517 HydrophobicContact CG-CG 4.28Å; L513-M517 VanDerWaalsContact O-CG 3.27Å; L513-M517 WeakPolarHBondContact O-CG 3.44Å; L513-M517 PolarHBondContact O-N 3.16Å; K514-M517 PolarHBondContact O-N 3.34Å; M517-N519 VanDerWaalsContact C-N 3.27Å; M517-N519 PolarHBondContact O-N 3Å; M517-L533 HydrophobicContact CE-CD1 4.13Å; M517-L533 HydrophobicContact CE-CD2 3.31Å; M517-L533 HydrophobicContact CE-CG 4.36Å; M517-V540 HydrophobicContact SD-CG1 4.32Å; M517-F544 HydrophobicContact CB-CD1 3.64Å; M517-F544 HydrophobicContact CB-CE1 3.85Å; M517-F544 HydrophobicContact CB-CG 4Å; M517-F544 HydrophobicContact CB-CZ 4.39Å; M517-F544 HydrophobicContact CG-CB 4.06Å; M517-F544 HydrophobicContact CG-CD1 3.87Å; M517-F544 HydrophobicContact CG-CD2 3.89Å; M517-F544 HydrophobicContact CG-CE1 4.24Å; M517-F544 HydrophobicContact CG-CE2 4.27Å; M517-F544 HydrophobicContact CG-CG 3.67Å; M517-F544 HydrophobicContact CG-CZ 4.43Å; M517-F544 HydrophobicContact SD-CB 4.18Å; M517-F544 HydrophobicContact SD-CG 4.43Å; M517-C547 HydrophobicContact SD-CB 3.45Å; M517-C547 WeakPolarHBondContact SD-CB 3.49Å; M517-C547 VanDerWaalsContact SD-SG 3.69Å; M517-K550 HydrophobicContact CE-CD 3.97Å; M517-K550 PolarHBondContact O-NZ 3.46Å; M517-K550 HydrophobicContact SD-CD 4.44Å
518D77.9Confident79.8Confident97 Ų9787.6 Ų87.652%0.51942%0.422SS..Hα-helixtrans-67.8-25.5-178.6-75.5-17.8000112.8K514 K520K514-D518 WeakPolarHBondContact CE-OD2 3.2Å; K514-D518 WeakPolarHBondContact CG-OD2 3.43Å; K514-D518 VanDerWaalsContact O-CB 3.26Å; K514-D518 WeakPolarHBondContact O-CB 3.36Å; K514-D518 VanDerWaalsContact O-CG 3.28Å; K514-D518 PolarHBondContact O-N 2.92Å; D518-K520 PolarHBondContact O-N 3.36Å
519N74.6Confident79.9Confident63 Ų6383.2 Ų83.234%0.33740%0.397SS..  trans-74.1109.7177.5-175.1-5.1000111.4E515 M517 N521 Y522 K550E515-N519 WeakPolarHBondContact O-CB 3.33Å; E515-N519 PolarHBondContact O-N 3.17Å; M517-N519 VanDerWaalsContact C-N 3.27Å; M517-N519 PolarHBondContact O-N 3Å; N519-N521 VanDerWaalsContact C-N 3.35Å; N519-N521 PolarHBondContact OD1-N 3.41Å; N519-Y522 HydrophobicContact CB-CD2 3.51Å; N519-Y522 HydrophobicContact CB-CE2 3.44Å; N519-Y522 VanDerWaalsContact CB-CE2 3.44Å; N519-Y522 VanDerWaalsContact CG-CD2 3.42Å; N519-Y522 WeakPolarHBondContact ND2-CD2 3.46Å; N519-Y522 WeakPolarHBondContact ND2-CE2 3.46Å; N519-K550 PolarHBondContact O-NZ 3.43Å
520K64.1Low80.1Confident169 Ų16984 Ų8474%0.73540%0.4SS*.THydrogen-bonded Turntrans-84.9-3.8179.9-62.9-175.6-179.6-177.40114.2D518D518-K520 PolarHBondContact O-N 3.36Å
521N57.8Low80.3Confident71 Ų7186.1 Ų86.138%0.3841%0.413SS..THydrogen-bonded Turntrans-105.88.9-175.3-83.7-4.5000114.4N519 T523 L1001 G1002N519-N521 VanDerWaalsContact C-N 3.35Å; N519-N521 PolarHBondContact OD1-N 3.41Å; N521-T523 PolarHBondContact O-N 3.4Å; N521-T523 VanDerWaalsContact O-N 3.17Å; N521-L1001 VanDerWaalsContact CG-O 3.29Å; N521-L1001 PolarHBondContact ND2-O 3.4Å; N521-L1001 PolarHBondContact OD1-O 2.89Å; N521-G1002 VanDerWaalsContact CG-CA 3.49Å; N521-G1002 VanDerWaalsContact ND2-CA 3.3Å; N521-G1002 WeakPolarHBondContact ND2-CA 3.36Å; N521-G1002 WeakPolarHBondContact OD1-CA 3.09Å; N521-G1002 PolarHBondContact OD1-N 2.95Å
522Y63.6Low80.5Confident59 Ų5982.9 Ų82.923%0.23140%0.396CS..  trans-59.9123.2178.3-93.6-78.6000111.3I516 N519 E524 F525 E529I516-Y522 HydrophobicContact CB-CE2 4.47Å; I516-Y522 HydrophobicContact CG2-CE2 4.12Å; N519-Y522 HydrophobicContact CB-CD2 3.51Å; N519-Y522 HydrophobicContact CB-CE2 3.44Å; N519-Y522 VanDerWaalsContact CB-CE2 3.44Å; N519-Y522 VanDerWaalsContact CG-CD2 3.42Å; N519-Y522 WeakPolarHBondContact ND2-CD2 3.46Å; N519-Y522 WeakPolarHBondContact ND2-CE2 3.46Å; Y522-E524 WeakPolarHBondContact CD1-O 3.48Å; Y522-F525 HydrophobicContact CD1-CD1 4.12Å; Y522-F525 HydrophobicContact CD1-CE1 4.15Å; Y522-F525 HydrophobicContact CD2-CE1 4.44Å; Y522-F525 HydrophobicContact CE1-CD1 4.32Å; Y522-F525 HydrophobicContact CG-CE1 4.08Å; Y522-E529 PolarHBondContact OH-OE1 2.88Å
523T56.4Low80.7Confident116 Ų11677.1 Ų77.171%0.71237%0.371SS*.SBendtrans-101.1-31.7171.947.70000111.7N521N521-T523 PolarHBondContact O-N 3.4Å; N521-T523 VanDerWaalsContact O-N 3.17Å
524E68.9Low80.9Confident163 Ų16378.9 Ų78.976%0.76238%0.378SS*.  trans-150.3143.7177.5-68.2-176.516300110Y522Y522-E524 WeakPolarHBondContact CD1-O 3.48Å
525F81.6Confident81.1Confident29 Ų2979.6 Ų79.613%0.12738%0.38CS..  trans-95138.7173.5-63.9-75.7000110.4I516 Y522 E529 K530 L533 K550 I554I516-F525 HydrophobicContact CG2-CD1 4.19Å; I516-F525 HydrophobicContact CG2-CE1 3.74Å; Y522-F525 HydrophobicContact CD1-CD1 4.12Å; Y522-F525 HydrophobicContact CD1-CE1 4.15Å; Y522-F525 HydrophobicContact CD2-CE1 4.44Å; Y522-F525 HydrophobicContact CE1-CD1 4.32Å; Y522-F525 HydrophobicContact CG-CE1 4.08Å; F525-E529 WeakPolarHBondContact CA-OE2 3.42Å; F525-E529 HydrophobicContact CB-CB 4.5Å; F525-K530 HydrophobicContact CB-CG 3.76Å; F525-K530 WeakPolarHBondContact O-CE 2.91Å; F525-L533 HydrophobicContact CD1-CD1 4.07Å; F525-L533 HydrophobicContact CE1-CD1 3.97Å; F525-L533 HydrophobicContact CZ-CD1 4.45Å; F525-K550 HydrophobicContact CE2-CB 4.2Å; F525-K550 HydrophobicContact CE2-CG 4.46Å; F525-K550 HydrophobicContact CZ-CB 3.77Å; F525-K550 HydrophobicContact CZ-CD 3.93Å; F525-K550 HydrophobicContact CZ-CG 3.81Å; F525-I554 HydrophobicContact CB-CG2 4.33Å; F525-I554 HydrophobicContact CD2-CG2 3.53Å; F525-I554 HydrophobicContact CE2-CG2 4.05Å; F525-I554 HydrophobicContact CG-CG2 4.02Å
526F86.4Confident81.4Confident145 Ų14573.4 Ų73.464%0.63635%0.352SS*.  trans-71.6155.4168.7-61-74.9000110.8D528 E529 K530F526-D528 VanDerWaalsContact C-N 3.29Å; F526-D528 WeakPolarHBondContact CB-OD1 3.49Å; F526-D528 PolarHBondContact O-N 3.37Å; F526-E529 HydrophobicContact CB-CG 4.23Å; F526-E529 WeakPolarHBondContact CD2-OE2 3.36Å; F526-E529 PolarHBondContact N-OE2 2.96Å; F526-E529 WeakPolarHBondContact O-CB 3.44Å; F526-E529 PolarHBondContact O-N 3.39Å; F526-E529 VanDerWaalsContact O-N 3.12Å; F526-K530 WeakPolarHBondContact O-CG 3.35Å; F526-K530 PolarHBondContact O-N 3.35Å
527E87.3Confident81.8Confident108 Ų10875.6 Ų75.651%0.50536%0.36SS..Hα-helixtrans-61.2-34.9-175.7-71.6-59.8133.300113.1K530 E531E527-K530 PolarHBondContact O-N 3.39Å; E527-K530 IonicContact OE1-NZ 3.85Å; E527-K530 PolarHBondContact OE1-NZ 3.03Å; E527-E531 WeakPolarHBondContact O-CG 3.36Å; E527-E531 PolarHBondContact O-N 2.84Å
528D88.7Confident82.1Confident110 Ų11077.3 Ų77.359%0.58837%0.368SS*.Hα-helixtrans-67.8-37.6174.861.7-42000112.5F526 E531 L532F526-D528 VanDerWaalsContact C-N 3.29Å; F526-D528 WeakPolarHBondContact CB-OD1 3.49Å; F526-D528 PolarHBondContact O-N 3.37Å; D528-E531 PolarHBondContact O-N 3.29Å; D528-L532 WeakPolarHBondContact O-CB 3.36Å; D528-L532 PolarHBondContact O-N 3.22Å
529E89.8Confident82.8Confident23 Ų2374.8 Ų74.811%0.10735%0.353CS..Hα-helixtrans-63.9-43.9171.6-63.3176.614600110.8I516 Y522 F525 F526 E531 L532 L533I516-E529 HydrophobicContact CD1-CB 4.12Å; I516-E529 HydrophobicContact CD1-CG 3.95Å; Y522-E529 PolarHBondContact OH-OE1 2.88Å; F525-E529 WeakPolarHBondContact CA-OE2 3.42Å; F525-E529 HydrophobicContact CB-CB 4.5Å; F526-E529 HydrophobicContact CB-CG 4.23Å; F526-E529 WeakPolarHBondContact CD2-OE2 3.36Å; F526-E529 PolarHBondContact N-OE2 2.96Å; F526-E529 WeakPolarHBondContact O-CB 3.44Å; F526-E529 PolarHBondContact O-N 3.39Å; F526-E529 VanDerWaalsContact O-N 3.12Å; E529-E531 VanDerWaalsContact C-N 3.34Å; E529-E531 PolarHBondContact O-N 3.09Å; E529-L532 PolarHBondContact O-N 2.98Å; E529-L533 WeakPolarHBondContact O-CB 3.48Å; E529-L533 VanDerWaalsContact O-CG 3.24Å; E529-L533 WeakPolarHBondContact O-CG 3.38Å; E529-L533 PolarHBondContact O-N 3.29Å
530K91.1Very high83.6Confident61 Ų6171.9 Ų71.927%0.26534%0.338SS..Hα-helixtrans-59.4-45.6177.1-65.2-178.4-171.3169.60111.5F525 F526 E527 L533 W534 I554F525-K530 HydrophobicContact CB-CG 3.76Å; F525-K530 WeakPolarHBondContact O-CE 2.91Å; F526-K530 WeakPolarHBondContact O-CG 3.35Å; F526-K530 PolarHBondContact O-N 3.35Å; E527-K530 PolarHBondContact O-N 3.39Å; E527-K530 IonicContact OE1-NZ 3.85Å; E527-K530 PolarHBondContact OE1-NZ 3.03Å; K530-L533 PolarHBondContact O-N 3.31Å; K530-W534 WeakPolarHBondContact O-CB 3.35Å; K530-W534 PolarHBondContact O-N 3.18Å; K530-I554 HydrophobicContact CB-CB 4.21Å; K530-I554 HydrophobicContact CB-CD1 4.48Å; K530-I554 HydrophobicContact CB-CG2 4.35Å; K530-I554 HydrophobicContact CD-CB 4.47Å; K530-I554 HydrophobicContact CD-CG2 4.38Å; K530-I554 HydrophobicContact CG-CB 4Å; K530-I554 HydrophobicContact CG-CG2 3.72Å; K530-I554 VanDerWaalsContact O-CD1 3.22Å; K530-I554 WeakPolarHBondContact O-CD1 3.19Å
531E91.3Very high85Confident124 Ų12466 Ų6658%0.57931%0.311SS*.Hα-helixtrans-63.5-42177.8-73.3-175.1170.300112.1E527 D528 E529 W534 K535E527-E531 WeakPolarHBondContact O-CG 3.36Å; E527-E531 PolarHBondContact O-N 2.84Å; D528-E531 PolarHBondContact O-N 3.29Å; E529-E531 VanDerWaalsContact C-N 3.34Å; E529-E531 PolarHBondContact O-N 3.09Å; E531-W534 PolarHBondContact O-N 2.98Å; E531-K535 VanDerWaalsContact O-CB 3.29Å; E531-K535 WeakPolarHBondContact O-CB 3.35Å; E531-K535 PolarHBondContact O-N 2.99Å
532L91.1Very high86.5Confident24 Ų2466.6 Ų66.613%0.12631%0.314CS..Hα-helixtrans-62.8-48.4176.1179.663.4000111.9E509 K512 I516 D528 E529 W534 K535 L536E509-L532 HydrophobicContact CB-CD1 4.12Å; E509-L532 HydrophobicContact CG-CD1 3.96Å; K512-L532 HydrophobicContact CB-CD2 3.93Å; I516-L532 HydrophobicContact CD1-CD2 4.27Å; D528-L532 WeakPolarHBondContact O-CB 3.36Å; D528-L532 PolarHBondContact O-N 3.22Å; E529-L532 PolarHBondContact O-N 2.98Å; L532-W534 VanDerWaalsContact C-N 3.34Å; L532-W534 PolarHBondContact O-N 3.5Å; L532-K535 WeakPolarHBondContact O-CB 3.25Å; L532-K535 PolarHBondContact O-N 2.85Å; L532-L536 HydrophobicContact CD1-CD1 3.72Å; L532-L536 HydrophobicContact CD1-CG 4.12Å; L532-L536 HydrophobicContact CG-CD1 4.25Å; L532-L536 WeakPolarHBondContact O-CB 3.46Å; L532-L536 WeakPolarHBondContact O-CG 3.32Å; L532-L536 PolarHBondContact O-N 3.07Å
533L91.6Very high87.8Confident2 Ų270.2 Ų70.21%0.0133%0.328CS..Hα-helixtrans-62.6-41.1178.8-70.5-178.4000111.7L513 I516 M517 F525 E529 K530 L536 R537 I554L513-L533 HydrophobicContact CD1-CD2 3.44Å; L513-L533 VanDerWaalsContact CD1-CD2 3.44Å; I516-L533 HydrophobicContact CG2-CD1 4.12Å; I516-L533 HydrophobicContact CG2-CD2 4.17Å; I516-L533 HydrophobicContact CG2-CG 4.49Å; M517-L533 HydrophobicContact CE-CD1 4.13Å; M517-L533 HydrophobicContact CE-CD2 3.31Å; M517-L533 HydrophobicContact CE-CG 4.36Å; F525-L533 HydrophobicContact CD1-CD1 4.07Å; F525-L533 HydrophobicContact CE1-CD1 3.97Å; F525-L533 HydrophobicContact CZ-CD1 4.45Å; E529-L533 WeakPolarHBondContact O-CB 3.48Å; E529-L533 VanDerWaalsContact O-CG 3.24Å; E529-L533 WeakPolarHBondContact O-CG 3.38Å; E529-L533 PolarHBondContact O-N 3.29Å; K530-L533 PolarHBondContact O-N 3.31Å; L533-L536 CarbonylContact O-C 3.48Å; L533-L536 PolarHBondContact O-N 3.19Å; L533-R537 PolarHBondContact O-N 2.9Å; L533-I554 HydrophobicContact CB-CD1 3.41Å; L533-I554 VanDerWaalsContact CB-CD1 3.41Å; L533-I554 HydrophobicContact CD1-CD1 4.25Å; L533-I554 HydrophobicContact CG-CD1 4.47Å
534W93.4Very high89.5Confident38 Ų3865.5 Ų65.514%0.14430%0.298CS..Hα-helixtrans-65.1-45175.1-171.9-112.9000111.2K530 E531 L532 L536 R537 L551 I554 T555 D562 Q565 M566K530-W534 WeakPolarHBondContact O-CB 3.35Å; K530-W534 PolarHBondContact O-N 3.18Å; E531-W534 PolarHBondContact O-N 2.98Å; L532-W534 VanDerWaalsContact C-N 3.34Å; L532-W534 PolarHBondContact O-N 3.5Å; W534-L536 VanDerWaalsContact C-N 3.3Å; W534-L536 PolarHBondContact O-N 3.15Å; W534-R537 WeakPolarHBondContact O-CB 3.27Å; W534-R537 WeakPolarHBondContact O-CD 3.47Å; W534-R537 VanDerWaalsContact O-CG 3.22Å; W534-R537 WeakPolarHBondContact O-CG 3.47Å; W534-R537 PolarHBondContact O-N 3.36Å; W534-R537 PolarHBondContact O-NH1 3.49Å; W534-L551 HydrophobicContact CE3-CD1 4.19Å; W534-I554 HydrophobicContact CB-CD1 4.18Å; W534-T555 HydrophobicContact CH2-CG2 4.09Å; W534-T555 HydrophobicContact CZ3-CG2 3.92Å; W534-T555 WeakPolarHBondContact CZ3-OG1 3.29Å; W534-D562 HydrophobicContact CH2-CB 3.97Å; W534-D562 WeakPolarHBondContact CH2-O 3.37Å; W534-D562 HydrophobicContact CZ2-CB 3.52Å; W534-D562 PolarHBondContact NE1-OD1 2.83Å; W534-Q565 HydrophobicContact CH2-CB 4.47Å; W534-Q565 HydrophobicContact CZ2-CB 4.3Å; W534-M566 HydrophobicContact CH2-CB 4.06Å; W534-M566 HydrophobicContact CZ3-CB 4.34Å; W534-M566 HydrophobicContact CZ3-SD 4.38Å
535K91.8Very high90.6Very high111 Ų11159.2 Ų59.248%0.48327%0.271SS..Hα-helixtrans-55.7-45.7175.4-178.8-175.3174.9-172.70111.3E509 E531 L532 R537E509-K535 IonicContact OE1-NZ 3.97Å; E509-K535 PolarHBondContact OE1-NZ 3.4Å; E531-K535 VanDerWaalsContact O-CB 3.29Å; E531-K535 WeakPolarHBondContact O-CB 3.35Å; E531-K535 PolarHBondContact O-N 2.99Å; L532-K535 WeakPolarHBondContact O-CB 3.25Å; L532-K535 PolarHBondContact O-N 2.85Å; K535-R537 PolarHBondContact O-NH1 3.26Å
536L92.7Very high91Very high10 Ų1062 Ų625%0.05229%0.285CS..THydrogen-bonded Turntrans-93.820.3-176.6-57.8-175.8000114.1P505 E509 L513 L532 L533 W534 I538 E539 V540P505-L536 HydrophobicContact CB-CD1 4.47Å; P505-L536 HydrophobicContact CB-CD2 3.96Å; E509-L536 HydrophobicContact CB-CD1 4.3Å; L513-L536 HydrophobicContact CB-CD1 4.24Å; L513-L536 HydrophobicContact CD2-CB 4.34Å; L513-L536 HydrophobicContact CD2-CD1 4.07Å; L532-L536 HydrophobicContact CD1-CD1 3.72Å; L532-L536 HydrophobicContact CD1-CG 4.12Å; L532-L536 HydrophobicContact CG-CD1 4.25Å; L532-L536 WeakPolarHBondContact O-CB 3.46Å; L532-L536 WeakPolarHBondContact O-CG 3.32Å; L532-L536 PolarHBondContact O-N 3.07Å; L533-L536 CarbonylContact O-C 3.48Å; L533-L536 PolarHBondContact O-N 3.19Å; W534-L536 VanDerWaalsContact C-N 3.3Å; W534-L536 PolarHBondContact O-N 3.15Å; L536-I538 PolarHBondContact O-N 3.19Å; L536-E539 HydrophobicContact CB-CB 4.29Å; L536-E539 HydrophobicContact CB-CG 4.35Å; L536-E539 HydrophobicContact CD2-CG 4.43Å; L536-E539 WeakPolarHBondContact O-CA 3.48Å; L536-E539 WeakPolarHBondContact O-CB 3.28Å; L536-E539 PolarHBondContact O-N 3.47Å; L536-V540 PolarHBondContact O-N 2.81Å
537R93.2Very high91.1Very high56 Ų5655.7 Ų55.721%0.21126%0.258CS..Hα-helixtrans-53.3-30.6-17763.2-165.1172.1-69.7-0.5115.2L533 W534 K535 R541 L551 L569L533-R537 PolarHBondContact O-N 2.9Å; W534-R537 WeakPolarHBondContact O-CB 3.27Å; W534-R537 WeakPolarHBondContact O-CD 3.47Å; W534-R537 VanDerWaalsContact O-CG 3.22Å; W534-R537 WeakPolarHBondContact O-CG 3.47Å; W534-R537 PolarHBondContact O-N 3.36Å; W534-R537 PolarHBondContact O-NH1 3.49Å; K535-R537 PolarHBondContact O-NH1 3.26Å; R537-R541 PolarHBondContact O-N 3.44Å; R537-R541 VanDerWaalsContact O-N 3.1Å; R537-L551 HydrophobicContact CB-CD1 4Å; R537-L551 HydrophobicContact CB-CD2 4.07Å; R537-L569 HydrophobicContact CB-CD2 4.07Å; R537-L569 HydrophobicContact CG-CD2 4.29Å
538I91.2Very high91.3Very high44 Ų4450.6 Ų50.623%0.22624%0.235CC..Hα-helixtrans-70.1-44.2174.8-56.1-56000110.9M498 L536 V540 R541 D542 L569M498-I538 HydrophobicContact CE-CD1 3.8Å; M498-I538 HydrophobicContact CE-CG1 3.94Å; L536-I538 PolarHBondContact O-N 3.19Å; I538-V540 VanDerWaalsContact C-N 3.3Å; I538-V540 PolarHBondContact O-N 3.4Å; I538-R541 WeakPolarHBondContact O-CB 3.33Å; I538-R541 PolarHBondContact O-N 3.47Å; I538-D542 PolarHBondContact O-N 3.11Å; I538-L569 HydrophobicContact CD1-CD1 3.59Å
539E91.6Very high91.5Very high44 Ų4446 Ų4621%0.20621%0.211CC..Hα-helixtrans-63-37.9174.6-55.9-66.1134.400111.2P505 L513 L536 D542 Y543P505-E539 HydrophobicContact CG-CG 4.35Å; L513-E539 HydrophobicContact CD2-CB 4.08Å; L536-E539 HydrophobicContact CB-CB 4.29Å; L536-E539 HydrophobicContact CB-CG 4.35Å; L536-E539 HydrophobicContact CD2-CG 4.43Å; L536-E539 WeakPolarHBondContact O-CA 3.48Å; L536-E539 WeakPolarHBondContact O-CB 3.28Å; L536-E539 PolarHBondContact O-N 3.47Å; E539-D542 PolarHBondContact O-N 2.89Å; E539-Y543 HydrophobicContact CB-CD2 4.32Å; E539-Y543 WeakPolarHBondContact O-CB 3.17Å; E539-Y543 WeakPolarHBondContact O-CD2 3.37Å; E539-Y543 PolarHBondContact O-N 2.75Å; E539-Y543 WeakPolarHBondContact OE2-CD2 3.45Å; E539-Y543 WeakPolarHBondContact OE2-CE2 3.46Å
540V91.8Very high91.5Very high2 Ų246.4 Ų46.41%0.01221%0.212CC..Hα-helixtrans-60.6-46.8173.9-179.60000110.5L513 M517 L536 I538 D542 F544 W573L513-V540 HydrophobicContact CD1-CG2 3.9Å; M517-V540 HydrophobicContact SD-CG1 4.32Å; L536-V540 PolarHBondContact O-N 2.81Å; I538-V540 VanDerWaalsContact C-N 3.3Å; I538-V540 PolarHBondContact O-N 3.4Å; V540-D542 VanDerWaalsContact C-N 3.32Å; V540-D542 PolarHBondContact O-N 3.22Å; V540-F544 HydrophobicContact CG1-CB 4.47Å; V540-F544 CarbonylContact O-C 3.57Å; V540-F544 VanDerWaalsContact O-CA 3.25Å; V540-F544 WeakPolarHBondContact O-CA 3.44Å; V540-F544 PolarHBondContact O-N 2.8Å; V540-W573 HydrophobicContact CG1-CH2 4.03Å
541R93.1Very high91.5Very high47 Ų4743.6 Ų43.618%0.17720%0.201CC..Hα-helixtrans-58.6-45.3176.7-178.7-162.565.3-163.7-5.5111.6R537 I538 L569 S572 W573 P574R537-R541 PolarHBondContact O-N 3.44Å; R537-R541 VanDerWaalsContact O-N 3.1Å; I538-R541 WeakPolarHBondContact O-CB 3.33Å; I538-R541 PolarHBondContact O-N 3.47Å; R541-L569 HydrophobicContact CB-CD1 4.3Å; R541-L569 HydrophobicContact CG-CD1 4.45Å; R541-S572 PolarHBondContact NH1-OG 3.33Å; R541-S572 VanDerWaalsContact NH1-OG 3.16Å; R541-W573 HydrophobicContact CB-CD2 4.42Å; R541-W573 HydrophobicContact CB-CE3 3.89Å; R541-W573 HydrophobicContact CB-CH2 4.07Å; R541-W573 HydrophobicContact CB-CZ3 3.69Å; R541-W573 HydrophobicContact CG-CD2 4Å; R541-W573 HydrophobicContact CG-CE3 3.76Å; R541-W573 HydrophobicContact CG-CZ3 4.12Å; R541-P574 HydrophobicContact CG-CG 4.49Å
542D91.1Very high91.7Very high82 Ų8237.8 Ų37.844%0.43917%0.173SC..Hα-helixtrans-81.1-35.2-169.1-67.7-16.2000112.9I538 E539 V540I538-D542 PolarHBondContact O-N 3.11Å; E539-D542 PolarHBondContact O-N 2.89Å; V540-D542 VanDerWaalsContact C-N 3.32Å; V540-D542 PolarHBondContact O-N 3.22Å
543Y90.6Very high91.7Very high135 Ų13540.7 Ų40.753%0.52919%0.188SC..Hα-helixtrans-110.7-21-175.1-61.9-78.2000114.8E539 P545E539-Y543 HydrophobicContact CB-CD2 4.32Å; E539-Y543 WeakPolarHBondContact O-CB 3.17Å; E539-Y543 WeakPolarHBondContact O-CD2 3.37Å; E539-Y543 PolarHBondContact O-N 2.75Å; E539-Y543 WeakPolarHBondContact OE2-CD2 3.45Å; E539-Y543 WeakPolarHBondContact OE2-CE2 3.46Å; Y543-P545 VanDerWaalsContact C-CD 3.49Å
544F91.7Very high91.7Very high17 Ų1741 Ų418%0.07519%0.19CC..  trans-135.950.4-176.9-54.9-83.1000112.7L513 K514 M517 V540 E546 C547L513-F544 HydrophobicContact CD2-CD2 4.36Å; L513-F544 HydrophobicContact CD2-CE2 4.02Å; L513-F544 HydrophobicContact CG-CE2 4.13Å; K514-F544 HydrophobicContact CB-CZ 4.3Å; K514-F544 HydrophobicContact CG-CZ 4.32Å; M517-F544 HydrophobicContact CB-CD1 3.64Å; M517-F544 HydrophobicContact CB-CE1 3.85Å; M517-F544 HydrophobicContact CB-CG 4Å; M517-F544 HydrophobicContact CB-CZ 4.39Å; M517-F544 HydrophobicContact CG-CB 4.06Å; M517-F544 HydrophobicContact CG-CD1 3.87Å; M517-F544 HydrophobicContact CG-CD2 3.89Å; M517-F544 HydrophobicContact CG-CE1 4.24Å; M517-F544 HydrophobicContact CG-CE2 4.27Å; M517-F544 HydrophobicContact CG-CG 3.67Å; M517-F544 HydrophobicContact CG-CZ 4.43Å; M517-F544 HydrophobicContact SD-CB 4.18Å; M517-F544 HydrophobicContact SD-CG 4.43Å; V540-F544 HydrophobicContact CG1-CB 4.47Å; V540-F544 CarbonylContact O-C 3.57Å; V540-F544 VanDerWaalsContact O-CA 3.25Å; V540-F544 WeakPolarHBondContact O-CA 3.44Å; V540-F544 PolarHBondContact O-N 2.8Å; F544-E546 PolarHBondContact O-N 3.41Å; F544-E546 VanDerWaalsContact O-N 3.12Å; F544-C547 HydrophobicContact CB-CB 4.3Å; F544-C547 WeakPolarHBondContact O-CB 3.48Å; F544-C547 PolarHBondContact O-N 2.77Å
545P91.9Very high91.8Very high31 Ų3139.2 Ų39.220%0.20118%0.184CC..G310 helixtrans-58.3-30.6-173.524.3-34.7000113.3Y543 C547 L548 W573 P574 L576Y543-P545 VanDerWaalsContact C-CD 3.49Å; P545-C547 PolarHBondContact O-N 2.87Å; P545-L548 PolarHBondContact O-N 3.4Å; P545-W573 WeakPolarHBondContact O-CZ2 3.29Å; P545-W573 PolarHBondContact O-NE1 3.46Å; P545-W573 VanDerWaalsContact O-NE1 3.07Å; P545-P574 HydrophobicContact CB-CB 4.09Å; P545-P574 HydrophobicContact CB-CG 4.08Å; P545-L576 HydrophobicContact CB-CD2 4.34Å; P545-L576 WeakPolarHBondContact O-CD2 3.42Å
546E88.8Confident92Very high89 Ų8937.3 Ų37.342%0.41618%0.175SC..G310 helixtrans-63.2-17.717670.6-72.3170.200114F544 L548 Q580F544-E546 PolarHBondContact O-N 3.41Å; F544-E546 VanDerWaalsContact O-N 3.12Å; E546-L548 VanDerWaalsContact C-N 3.29Å; E546-L548 PolarHBondContact O-N 3.19Å; E546-Q580 VanDerWaalsContact CB-OE1 3.25Å
547C88.8Confident92.1Very high11 Ų1137.2 Ų37.27%0.07417%0.174CC..G310 helixtrans-89.816179.7-67.60000113.5M517 F544 P545 S549 K550 L551M517-C547 HydrophobicContact SD-CB 3.45Å; M517-C547 WeakPolarHBondContact SD-CB 3.49Å; M517-C547 VanDerWaalsContact SD-SG 3.69Å; F544-C547 HydrophobicContact CB-CB 4.3Å; F544-C547 WeakPolarHBondContact O-CB 3.48Å; F544-C547 PolarHBondContact O-N 2.77Å; P545-C547 PolarHBondContact O-N 2.87Å; C547-S549 PolarHBondContact O-N 3.49Å; C547-S549 VanDerWaalsContact O-N 3.16Å; C547-K550 HydrophobicContact CB-CD 4.2Å; C547-K550 WeakPolarHBondContact O-CB 3.24Å; C547-K550 PolarHBondContact O-N 3Å; C547-L551 PolarHBondContact O-N 3.06Å
548L93.1Very high92.2Very high1 Ų137.1 Ų37.11%0.00518%0.178CC..Hα-helixtrans-50.8-40179.6177.355000113.2P545 E546 K550 L551 L552 M566 L570 W573 L576 L584 F597P545-L548 PolarHBondContact O-N 3.4Å; E546-L548 VanDerWaalsContact C-N 3.29Å; E546-L548 PolarHBondContact O-N 3.19Å; L548-K550 VanDerWaalsContact C-N 3.3Å; L548-K550 PolarHBondContact O-N 3.37Å; L548-L551 PolarHBondContact O-N 3.3Å; L548-L552 HydrophobicContact CD1-CD1 4.04Å; L548-L552 HydrophobicContact CD1-CD2 4.5Å; L548-L552 HydrophobicContact CD1-CG 3.94Å; L548-L552 HydrophobicContact CD2-CD1 4.45Å; L548-L552 HydrophobicContact CG-CD1 3.83Å; L548-L552 HydrophobicContact CG-CG 4.25Å; L548-L552 WeakPolarHBondContact O-CG 3.3Å; L548-L552 PolarHBondContact O-N 3.24Å; L548-M566 HydrophobicContact CD1-CE 3.41Å; L548-M566 VanDerWaalsContact CD1-CE 3.41Å; L548-L570 HydrophobicContact CD1-CD2 3.82Å; L548-L570 HydrophobicContact CD2-CD2 3.82Å; L548-L570 HydrophobicContact CG-CD2 4.43Å; L548-W573 HydrophobicContact CB-CH2 4.38Å; L548-W573 HydrophobicContact CB-CZ2 3.59Å; L548-W573 HydrophobicContact CD1-CD2 3.83Å; L548-W573 HydrophobicContact CD1-CE3 3.89Å; L548-W573 HydrophobicContact CD1-CH2 3.82Å; L548-W573 HydrophobicContact CD1-CZ2 3.74Å; L548-W573 HydrophobicContact CD1-CZ3 3.88Å; L548-W573 HydrophobicContact CD2-CD2 4.32Å; L548-W573 HydrophobicContact CD2-CG 4.27Å; L548-W573 HydrophobicContact CG-CD2 4.47Å; L548-W573 HydrophobicContact CG-CZ2 4.17Å; L548-L576 HydrophobicContact CB-CD1 4.23Å; L548-L576 HydrophobicContact CD2-CD1 4.23Å; L548-L584 HydrophobicContact CD2-CD1 3.83Å; L548-L584 HydrophobicContact CG-CD1 4.39Å; L548-F597 HydrophobicContact CD2-CD1 3.92Å; L548-F597 HydrophobicContact CD2-CE1 3.56Å; L548-F597 HydrophobicContact CD2-CZ 4.05Å
549S91.2Very high92.4Very high13 Ų1339.8 Ų39.89%0.09119%0.188CC..Hα-helixtrans-60.7-38.9179.562.60000112.4C547 L552 L553 E583C547-S549 PolarHBondContact O-N 3.49Å; C547-S549 VanDerWaalsContact O-N 3.16Å; S549-L552 PolarHBondContact O-N 2.91Å; S549-L553 VanDerWaalsContact O-CG 3.28Å; S549-L553 WeakPolarHBondContact O-CG 3.48Å; S549-L553 PolarHBondContact O-N 3.34Å; S549-E583 WeakPolarHBondContact CB-OE1 3.43Å; S549-E583 PolarHBondContact OG-OE1 3.44Å
550K89.7Confident92.4Very high32 Ų3241.3 Ų41.314%0.13919%0.192CC..Hα-helixtrans-61.3-45.3175.3-61.7-177.3171.2-178.20111I516 M517 N519 F525 C547 L548 L553 I554I516-K550 PolarHBondContact O-NZ 2.87Å; M517-K550 HydrophobicContact CE-CD 3.97Å; M517-K550 PolarHBondContact O-NZ 3.46Å; M517-K550 HydrophobicContact SD-CD 4.44Å; N519-K550 PolarHBondContact O-NZ 3.43Å; F525-K550 HydrophobicContact CE2-CB 4.2Å; F525-K550 HydrophobicContact CE2-CG 4.46Å; F525-K550 HydrophobicContact CZ-CB 3.77Å; F525-K550 HydrophobicContact CZ-CD 3.93Å; F525-K550 HydrophobicContact CZ-CG 3.81Å; C547-K550 HydrophobicContact CB-CD 4.2Å; C547-K550 WeakPolarHBondContact O-CB 3.24Å; C547-K550 PolarHBondContact O-N 3Å; L548-K550 VanDerWaalsContact C-N 3.3Å; L548-K550 PolarHBondContact O-N 3.37Å; K550-L553 PolarHBondContact O-N 2.89Å; K550-I554 PolarHBondContact O-N 3.03Å
551L92.8Very high92.4Very high3 Ų347.2 Ų47.22%0.01622%0.219CC..Hα-helixtrans-65.8-39.8179.4-175.262.3000112.1W534 R537 C547 L548 I554 T555 M566 L569 W573W534-L551 HydrophobicContact CE3-CD1 4.19Å; R537-L551 HydrophobicContact CB-CD1 4Å; R537-L551 HydrophobicContact CB-CD2 4.07Å; C547-L551 PolarHBondContact O-N 3.06Å; L548-L551 PolarHBondContact O-N 3.3Å; L551-I554 HydrophobicContact CD1-CD1 4.1Å; L551-I554 HydrophobicContact CD1-CG1 4.26Å; L551-I554 WeakPolarHBondContact O-CG1 3.44Å; L551-I554 PolarHBondContact O-N 3.39Å; L551-T555 PolarHBondContact O-N 2.97Å; L551-T555 PolarHBondContact O-OG1 3.02Å; L551-M566 HydrophobicContact CD2-CE 3.97Å; L551-M566 HydrophobicContact CD2-SD 3.92Å; L551-M566 HydrophobicContact CG-CE 4.2Å; L551-M566 HydrophobicContact CG-SD 4.06Å; L551-L569 HydrophobicContact CD2-CD2 3.85Å; L551-W573 HydrophobicContact CD2-CH2 3.65Å; L551-W573 HydrophobicContact CD2-CZ3 3.55Å
552L94.3Very high92.4Very high1 Ų145.9 Ų45.91%0.00522%0.215CC..Hα-helixtrans-64.7-39176.7-71.7168.8000112.5L548 S549 I554 T555 W557 M566 L570 L584 F589 V594L548-L552 HydrophobicContact CD1-CD1 4.04Å; L548-L552 HydrophobicContact CD1-CD2 4.5Å; L548-L552 HydrophobicContact CD1-CG 3.94Å; L548-L552 HydrophobicContact CD2-CD1 4.45Å; L548-L552 HydrophobicContact CG-CD1 3.83Å; L548-L552 HydrophobicContact CG-CG 4.25Å; L548-L552 WeakPolarHBondContact O-CG 3.3Å; L548-L552 PolarHBondContact O-N 3.24Å; S549-L552 PolarHBondContact O-N 2.91Å; L552-I554 VanDerWaalsContact C-N 3.28Å; L552-I554 PolarHBondContact O-N 3.44Å; L552-T555 WeakPolarHBondContact O-CB 3.26Å; L552-T555 PolarHBondContact O-N 2.78Å; L552-W557 HydrophobicContact CD2-CH2 4.43Å; L552-W557 HydrophobicContact CD2-CZ2 4.03Å; L552-W557 PolarHBondContact O-NE1 3.34Å; L552-W557 VanDerWaalsContact O-NE1 3.1Å; L552-M566 HydrophobicContact CD2-CE 3.39Å; L552-M566 HydrophobicContact CD2-CG 3.99Å; L552-M566 HydrophobicContact CD2-SD 4.42Å; L552-M566 HydrophobicContact CG-CE 3.87Å; L552-L570 HydrophobicContact CD2-CD1 4.48Å; L552-L584 HydrophobicContact CD1-CD2 3.73Å; L552-F589 HydrophobicContact CB-CD1 3.87Å; L552-F589 HydrophobicContact CB-CE1 3.8Å; L552-F589 HydrophobicContact CD1-CD1 3.97Å; L552-F589 HydrophobicContact CD1-CE1 4.29Å; L552-V594 HydrophobicContact CD1-CG1 3.76Å; L552-V594 HydrophobicContact CD1-CG2 4.01Å; L552-V594 HydrophobicContact CD2-CG2 3.59Å; L552-V594 HydrophobicContact CG-CG2 4.47Å
553L91.5Very high92.5Very high85 Ų8542.1 Ų42.145%0.44520%0.195SC..Hα-helixtrans-66.6-27.4179-74.7170.9000113.5S549 K550 F589S549-L553 VanDerWaalsContact O-CG 3.28Å; S549-L553 WeakPolarHBondContact O-CG 3.48Å; S549-L553 PolarHBondContact O-N 3.34Å; K550-L553 PolarHBondContact O-N 2.89Å; L553-F589 HydrophobicContact CD1-CZ 4.41Å; L553-F589 HydrophobicContact CD2-CE1 4.04Å; L553-F589 HydrophobicContact CD2-CZ 4.14Å; L553-F589 HydrophobicContact CG-CE1 3.9Å; L553-F589 HydrophobicContact CG-CZ 4.04Å
554I92.5Very high92.5Very high10 Ų1036.8 Ų36.85%0.05118%0.177CC..Hα-helixtrans-95.4-8.6179.867.7141.9000113.5F525 K530 L533 W534 K550 L551 L552 K556F525-I554 HydrophobicContact CB-CG2 4.33Å; F525-I554 HydrophobicContact CD2-CG2 3.53Å; F525-I554 HydrophobicContact CE2-CG2 4.05Å; F525-I554 HydrophobicContact CG-CG2 4.02Å; K530-I554 HydrophobicContact CB-CB 4.21Å; K530-I554 HydrophobicContact CB-CD1 4.48Å; K530-I554 HydrophobicContact CB-CG2 4.35Å; K530-I554 HydrophobicContact CD-CB 4.47Å; K530-I554 HydrophobicContact CD-CG2 4.38Å; K530-I554 HydrophobicContact CG-CB 4Å; K530-I554 HydrophobicContact CG-CG2 3.72Å; K530-I554 VanDerWaalsContact O-CD1 3.22Å; K530-I554 WeakPolarHBondContact O-CD1 3.19Å; L533-I554 HydrophobicContact CB-CD1 3.41Å; L533-I554 VanDerWaalsContact CB-CD1 3.41Å; L533-I554 HydrophobicContact CD1-CD1 4.25Å; L533-I554 HydrophobicContact CG-CD1 4.47Å; W534-I554 HydrophobicContact CB-CD1 4.18Å; K550-I554 PolarHBondContact O-N 3.03Å; L551-I554 HydrophobicContact CD1-CD1 4.1Å; L551-I554 HydrophobicContact CD1-CG1 4.26Å; L551-I554 WeakPolarHBondContact O-CG1 3.44Å; L551-I554 PolarHBondContact O-N 3.39Å; L552-I554 VanDerWaalsContact C-N 3.28Å; L552-I554 PolarHBondContact O-N 3.44Å; I554-K556 PolarHBondContact O-N 2.93Å
555T94.3Very high92.5Very high0 Ų038.7 Ų38.70%019%0.186CC..SBendtrans-63.8129.1179.9-62.90000108.8W534 L551 L552 W557 M566W534-T555 HydrophobicContact CH2-CG2 4.09Å; W534-T555 HydrophobicContact CZ3-CG2 3.92Å; W534-T555 WeakPolarHBondContact CZ3-OG1 3.29Å; L551-T555 PolarHBondContact O-N 2.97Å; L551-T555 PolarHBondContact O-OG1 3.02Å; L552-T555 WeakPolarHBondContact O-CB 3.26Å; L552-T555 PolarHBondContact O-N 2.78Å; T555-W557 HydrophobicContact CG2-CD2 4.37Å; T555-W557 HydrophobicContact CG2-CZ2 4.41Å; T555-W557 PolarHBondContact O-N 2.77Å; T555-W557 PolarHBondContact O-NE1 3.19Å; T555-M566 HydrophobicContact CG2-CB 3.99Å; T555-M566 HydrophobicContact CG2-CG 4.21Å
556K95.5Very high92.5Very high70 Ų7037.2 Ų37.230%0.30418%0.176SC..  trans-77.187.1178.7-66.1176.7179.7173.40109.7I554 N558 K559I554-K556 PolarHBondContact O-N 2.93Å; K556-N558 PolarHBondContact O-N 3.36Å; K556-N558 VanDerWaalsContact O-N 3.12Å; K556-K559 HydrophobicContact CB-CB 4.39Å; K556-K559 HydrophobicContact CB-CD 4.16Å; K556-K559 HydrophobicContact CB-CG 4.25Å; K556-K559 HydrophobicContact CD-CD 4.12Å; K556-K559 PolarHBondContact O-N 2.72Å
557W95.7Very high92.7Very high8 Ų833.3 Ų33.33%0.0316%0.159CC..THydrogen-bonded Turntrans-65.2-14.7-176.9-67.497.3000114.3H351 L356 P387 L552 T555 K559 V563 D591 V594H351-W557 HydrophobicContact CB-CB 4.2Å; H351-W557 AromaticContact CD2-CD1 3.88Å; H351-W557 AromaticContact CD2-CD2 3.69Å; H351-W557 AromaticContact CD2-CG 3.61Å; H351-W557 AromaticContact CE1-CD2 3.74Å; H351-W557 AromaticContact CE1-CE3 3.44Å; H351-W557 VanDerWaalsContact CE1-CE3 3.44Å; H351-W557 AromaticContact CE1-CZ3 3.85Å; H351-W557 AromaticContact CG-CG 3.98Å; H351-W557 AromaticContact NE2-CD2 3.39Å; H351-W557 AromaticContact NE2-CE2 3.66Å; H351-W557 AromaticContact NE2-CE3 3.54Å; H351-W557 AromaticContact NE2-CG 3.87Å; H351-W557 AromaticContact NE2-CZ3 3.92Å; L356-W557 HydrophobicContact CD2-CB 4.1Å; P387-W557 WeakPolarHBondContact CD-O 3.29Å; P387-W557 HydrophobicContact CG-CB 4.47Å; P387-W557 WeakPolarHBondContact CG-O 3.47Å; L552-W557 HydrophobicContact CD2-CH2 4.43Å; L552-W557 HydrophobicContact CD2-CZ2 4.03Å; L552-W557 PolarHBondContact O-NE1 3.34Å; L552-W557 VanDerWaalsContact O-NE1 3.1Å; T555-W557 HydrophobicContact CG2-CD2 4.37Å; T555-W557 HydrophobicContact CG2-CZ2 4.41Å; T555-W557 PolarHBondContact O-N 2.77Å; T555-W557 PolarHBondContact O-NE1 3.19Å; W557-K559 VanDerWaalsContact C-N 3.28Å; W557-V563 HydrophobicContact CE3-CG1 4.3Å; W557-V563 HydrophobicContact CE3-CG2 3.81Å; W557-V563 HydrophobicContact CZ3-CG1 4.17Å; W557-V563 HydrophobicContact CZ3-CG2 4.42Å; W557-D591 HydrophobicContact CH2-CB 3.69Å; W557-D591 HydrophobicContact CZ3-CB 3.8Å; W557-V594 HydrophobicContact CH2-CG2 4.41Å
558N95.8Very high92.7Very high55 Ų5534.2 Ų34.229%0.29417%0.165SC..THydrogen-bonded Turntrans-86.811.8172.466.3-4.5000113.9L356 I381 D385 K556L356-N558 HydrophobicContact CB-CB 4.35Å; L356-N558 HydrophobicContact CD2-CB 3.93Å; L356-N558 PolarHBondContact O-ND2 3.33Å; I381-N558 HydrophobicContact CD1-CB 3.88Å; D385-N558 WeakPolarHBondContact CB-O 3.44Å; K556-N558 PolarHBondContact O-N 3.36Å; K556-N558 VanDerWaalsContact O-N 3.12Å
559K94.9Very high92.6Very high99 Ų9934.7 Ų34.743%0.4317%0.168SC..  trans-127.9116.2174.9-67-173.1177.9-168.60110.2K556 W557 E561 D562 V563K556-K559 HydrophobicContact CB-CB 4.39Å; K556-K559 HydrophobicContact CB-CD 4.16Å; K556-K559 HydrophobicContact CB-CG 4.25Å; K556-K559 HydrophobicContact CD-CD 4.12Å; K556-K559 PolarHBondContact O-N 2.72Å; W557-K559 VanDerWaalsContact C-N 3.28Å; K559-E561 VanDerWaalsContact C-N 3.25Å; K559-E561 PolarHBondContact O-N 2.91Å; K559-D562 HydrophobicContact CB-CB 4.27Å; K559-D562 PolarHBondContact O-N 2.72Å; K559-V563 WeakPolarHBondContact O-CG2 3.36Å; K559-V563 PolarHBondContact O-N 2.88Å; K559-V563 VanDerWaalsContact O-N 3.14Å
560R91.7Very high92.7Very high76 Ų7634.4 Ų34.429%0.28717%0.165SC..Hα-helixtrans-57.9-37-177.372.9-174.2-178-171.2-5.2113.5W319 D385 D562 V563 V564W319-R560 PolarHBondContact O-NH1 3.26Å; D385-R560 WeakPolarHBondContact OD1-CG 3.42Å; D385-R560 PolarHBondContact OD1-N 3.02Å; R560-D562 VanDerWaalsContact C-N 3.33Å; R560-D562 PolarHBondContact O-N 3.25Å; R560-V563 PolarHBondContact O-N 2.86Å; R560-V564 VanDerWaalsContact O-CG2 3.25Å; R560-V564 WeakPolarHBondContact O-CG2 2.94Å; R560-V564 PolarHBondContact O-N 3.42Å
561E91Very high92.6Very high126 Ų12637.8 Ų37.859%0.58918%0.18SC*.Hα-helixtrans-66.3-38.1-176.5-66.6175-169.700111.5K559 Q565K559-E561 VanDerWaalsContact C-N 3.25Å; K559-E561 PolarHBondContact O-N 2.91Å; E561-Q565 VanDerWaalsContact O-CG 3.3Å; E561-Q565 WeakPolarHBondContact O-CG 3.44Å; E561-Q565 PolarHBondContact O-N 3.43Å; E561-Q565 VanDerWaalsContact O-N 3.17Å; E561-Q565 PolarHBondContact O-NE2 3.5Å; E561-Q565 VanDerWaalsContact O-NE2 3.16Å
562D93.4Very high92.5Very high19 Ų1940.7 Ų40.710%0.10220%0.2CC..Hα-helixtrans-72.6-41.2177.4-69.7-11.8000110.4W534 K559 R560 V564 Q565 M566W534-D562 HydrophobicContact CH2-CB 3.97Å; W534-D562 WeakPolarHBondContact CH2-O 3.37Å; W534-D562 HydrophobicContact CZ2-CB 3.52Å; W534-D562 PolarHBondContact NE1-OD1 2.83Å; K559-D562 HydrophobicContact CB-CB 4.27Å; K559-D562 PolarHBondContact O-N 2.72Å; R560-D562 VanDerWaalsContact C-N 3.33Å; R560-D562 PolarHBondContact O-N 3.25Å; D562-V564 PolarHBondContact O-N 2.92Å; D562-Q565 PolarHBondContact O-N 2.88Å; D562-M566 WeakPolarHBondContact O-CB 3.31Å; D562-M566 PolarHBondContact O-N 3.49Å
563V93Very high92.5Very high3 Ų341 Ų412%0.01820%0.201CC..Hα-helixtrans-60.6-46175.3176.60000111.7W557 K559 R560 Q565 M566 V567W557-V563 HydrophobicContact CE3-CG1 4.3Å; W557-V563 HydrophobicContact CE3-CG2 3.81Å; W557-V563 HydrophobicContact CZ3-CG1 4.17Å; W557-V563 HydrophobicContact CZ3-CG2 4.42Å; K559-V563 WeakPolarHBondContact O-CG2 3.36Å; K559-V563 PolarHBondContact O-N 2.88Å; K559-V563 VanDerWaalsContact O-N 3.14Å; R560-V563 PolarHBondContact O-N 2.86Å; V563-Q565 VanDerWaalsContact C-N 3.35Å; V563-Q565 PolarHBondContact O-N 3.28Å; V563-M566 PolarHBondContact O-N 3.32Å; V563-V567 HydrophobicContact CG1-CG2 4.35Å; V563-V567 WeakPolarHBondContact O-CB 3.39Å; V563-V567 VanDerWaalsContact O-CG2 3.32Å; V563-V567 WeakPolarHBondContact O-CG2 3.39Å; V563-V567 PolarHBondContact O-N 3.4Å
564V90.8Very high92.6Very high23 Ų2339.6 Ų39.614%0.13920%0.197CC..Hα-helixtrans-60.9-44.3178170.30000111W319 L490 P496 R560 D562 S568W319-V564 HydrophobicContact CH2-CG2 3.64Å; W319-V564 HydrophobicContact CZ2-CG2 3.84Å; L490-V564 HydrophobicContact CD2-CG2 4.09Å; P496-V564 HydrophobicContact CG-CG1 4.43Å; R560-V564 VanDerWaalsContact O-CG2 3.25Å; R560-V564 WeakPolarHBondContact O-CG2 2.94Å; R560-V564 PolarHBondContact O-N 3.42Å; D562-V564 PolarHBondContact O-N 2.92Å; V564-S568 WeakPolarHBondContact O-CB 3.24Å; V564-S568 PolarHBondContact O-N 2.99Å
565Q91.2Very high92.7Very high57 Ų5743.3 Ų43.327%0.26622%0.215SC..Hα-helixtrans-63.9-44.2177.3-74.8175.969.300112.1W534 E561 D562 V563 S568 L569W534-Q565 HydrophobicContact CH2-CB 4.47Å; W534-Q565 HydrophobicContact CZ2-CB 4.3Å; E561-Q565 VanDerWaalsContact O-CG 3.3Å; E561-Q565 WeakPolarHBondContact O-CG 3.44Å; E561-Q565 PolarHBondContact O-N 3.43Å; E561-Q565 VanDerWaalsContact O-N 3.17Å; E561-Q565 PolarHBondContact O-NE2 3.5Å; E561-Q565 VanDerWaalsContact O-NE2 3.16Å; D562-Q565 PolarHBondContact O-N 2.88Å; V563-Q565 VanDerWaalsContact C-N 3.35Å; V563-Q565 PolarHBondContact O-N 3.28Å; Q565-S568 PolarHBondContact O-N 2.99Å; Q565-L569 WeakPolarHBondContact O-CB 3.46Å; Q565-L569 PolarHBondContact O-N 3.03Å
566M93.4Very high92.7Very high0 Ų043.8 Ų43.80%022%0.217CC..Hα-helixtrans-65.2-43.1179.3-171.455.6-158.200111.8W534 L548 L551 L552 T555 D562 V563 S568 L569 L570W534-M566 HydrophobicContact CH2-CB 4.06Å; W534-M566 HydrophobicContact CZ3-CB 4.34Å; W534-M566 HydrophobicContact CZ3-SD 4.38Å; L548-M566 HydrophobicContact CD1-CE 3.41Å; L548-M566 VanDerWaalsContact CD1-CE 3.41Å; L551-M566 HydrophobicContact CD2-CE 3.97Å; L551-M566 HydrophobicContact CD2-SD 3.92Å; L551-M566 HydrophobicContact CG-CE 4.2Å; L551-M566 HydrophobicContact CG-SD 4.06Å; L552-M566 HydrophobicContact CD2-CE 3.39Å; L552-M566 HydrophobicContact CD2-CG 3.99Å; L552-M566 HydrophobicContact CD2-SD 4.42Å; L552-M566 HydrophobicContact CG-CE 3.87Å; T555-M566 HydrophobicContact CG2-CB 3.99Å; T555-M566 HydrophobicContact CG2-CG 4.21Å; D562-M566 WeakPolarHBondContact O-CB 3.31Å; D562-M566 PolarHBondContact O-N 3.49Å; V563-M566 PolarHBondContact O-N 3.32Å; M566-S568 PolarHBondContact O-N 3.42Å; M566-L569 WeakPolarHBondContact O-CB 3.48Å; M566-L569 PolarHBondContact O-N 3.3Å; M566-L569 HydrophobicContact SD-CD2 4.19Å; M566-L570 HydrophobicContact CE-CD2 4.08Å; M566-L570 HydrophobicContact CE-CG 4.05Å; M566-L570 WeakPolarHBondContact O-CG 3.12Å; M566-L570 PolarHBondContact O-N 3.16Å
567V91.4Very high92.5Very high8 Ų844 Ų445%0.04823%0.226CC..Hα-helixtrans-66.2-37.2177.3172.60000111.5L490 V563 L570 K571 A593L490-V567 HydrophobicContact CB-CG1 3.99Å; L490-V567 HydrophobicContact CD1-CB 4.03Å; L490-V567 HydrophobicContact CD1-CG1 3.89Å; L490-V567 HydrophobicContact CD1-CG2 3.79Å; V563-V567 HydrophobicContact CG1-CG2 4.35Å; V563-V567 WeakPolarHBondContact O-CB 3.39Å; V563-V567 VanDerWaalsContact O-CG2 3.32Å; V563-V567 WeakPolarHBondContact O-CG2 3.39Å; V563-V567 PolarHBondContact O-N 3.4Å; V567-L570 PolarHBondContact O-N 3.14Å; V567-K571 PolarHBondContact O-N 3.41Å; V567-A593 HydrophobicContact CG1-CB 3.93Å; V567-A593 HydrophobicContact CG2-CB 4.12Å
568S88.9Confident92.2Very high30 Ų3044.4 Ų44.421%0.2123%0.23CC..Hα-helixtrans-64-43.3171.6-1730000111.3D495 V564 Q565 M566 L570 K571D495-S568 PolarHBondContact OD1-OG 2.92Å; V564-S568 WeakPolarHBondContact O-CB 3.24Å; V564-S568 PolarHBondContact O-N 2.99Å; Q565-S568 PolarHBondContact O-N 2.99Å; M566-S568 PolarHBondContact O-N 3.42Å; S568-L570 VanDerWaalsContact C-N 3.31Å; S568-L570 PolarHBondContact O-N 2.93Å; S568-K571 WeakPolarHBondContact O-CB 3.44Å; S568-K571 PolarHBondContact O-N 2.98Å; S568-K571 VanDerWaalsContact O-N 3.09Å
569L91.4Very high91.6Very high10 Ų1044.6 Ų44.65%0.05223%0.231CC..Hα-helixtrans-58.3-42.8177.8-166.462.4000112R537 I538 R541 L551 Q565 M566 K571 S572 W573R537-L569 HydrophobicContact CB-CD2 4.07Å; R537-L569 HydrophobicContact CG-CD2 4.29Å; I538-L569 HydrophobicContact CD1-CD1 3.59Å; R541-L569 HydrophobicContact CB-CD1 4.3Å; R541-L569 HydrophobicContact CG-CD1 4.45Å; L551-L569 HydrophobicContact CD2-CD2 3.85Å; Q565-L569 WeakPolarHBondContact O-CB 3.46Å; Q565-L569 PolarHBondContact O-N 3.03Å; M566-L569 WeakPolarHBondContact O-CB 3.48Å; M566-L569 PolarHBondContact O-N 3.3Å; M566-L569 HydrophobicContact SD-CD2 4.19Å; L569-K571 VanDerWaalsContact C-N 3.28Å; L569-K571 PolarHBondContact O-N 2.96Å; L569-S572 CarbonylContact O-C 3.54Å; L569-S572 PolarHBondContact O-N 3.24Å; L569-S572 VanDerWaalsContact O-N 3.08Å; L569-S572 PolarHBondContact O-OG 2.84Å; L569-W573 HydrophobicContact CD2-CE3 4.09Å; L569-W573 HydrophobicContact CD2-CZ3 3.65Å; L569-W573 HydrophobicContact CG-CE3 3.87Å; L569-W573 HydrophobicContact CG-CZ3 3.95Å; L569-W573 PolarHBondContact O-N 3.48Å
570L92.6Very high91.2Very high7 Ų743.6 Ų43.64%0.03723%0.228CC..Hα-helixtrans-58.3-33.3176.3-76.3172.8000113.8L548 L552 M566 V567 S568 S572 W573 A593 V594 F597L548-L570 HydrophobicContact CD1-CD2 3.82Å; L548-L570 HydrophobicContact CD2-CD2 3.82Å; L548-L570 HydrophobicContact CG-CD2 4.43Å; L552-L570 HydrophobicContact CD2-CD1 4.48Å; M566-L570 HydrophobicContact CE-CD2 4.08Å; M566-L570 HydrophobicContact CE-CG 4.05Å; M566-L570 WeakPolarHBondContact O-CG 3.12Å; M566-L570 PolarHBondContact O-N 3.16Å; V567-L570 PolarHBondContact O-N 3.14Å; S568-L570 VanDerWaalsContact C-N 3.31Å; S568-L570 PolarHBondContact O-N 2.93Å; L570-S572 PolarHBondContact O-N 3.23Å; L570-W573 PolarHBondContact O-N 3.42Å; L570-A593 HydrophobicContact CD1-CB 4.2Å; L570-V594 HydrophobicContact CD1-CG2 3.71Å; L570-F597 HydrophobicContact CD2-CG 4.45Å
571K88.8Confident91.3Very high104 Ų10440 Ų4045%0.45221%0.214SC..Hα-helixtrans-61.5-36.8176.8-64.3175.3-174.4170.80111.3L490 V567 S568 L569L490-K571 PolarHBondContact O-NZ 3.11Å; V567-K571 PolarHBondContact O-N 3.41Å; S568-K571 WeakPolarHBondContact O-CB 3.44Å; S568-K571 PolarHBondContact O-N 2.98Å; S568-K571 VanDerWaalsContact O-N 3.09Å; L569-K571 VanDerWaalsContact C-N 3.28Å; L569-K571 PolarHBondContact O-N 2.96Å
572S89.6Confident91.3Very high64 Ų6434 Ų3445%0.44819%0.186SC..THydrogen-bonded Turntrans-95.50.4178.571.50000114.3R541 L569 L570R541-S572 PolarHBondContact NH1-OG 3.33Å; R541-S572 VanDerWaalsContact NH1-OG 3.16Å; L569-S572 CarbonylContact O-C 3.54Å; L569-S572 PolarHBondContact O-N 3.24Å; L569-S572 VanDerWaalsContact O-N 3.08Å; L569-S572 PolarHBondContact O-OG 2.84Å; L570-S572 PolarHBondContact O-N 3.23Å
573W94.6Very high91.2Very high6 Ų635.7 Ų35.72%0.02319%0.194CC..PPolyproline II helixtrans-69.7133.3-174.1-161.3-83.2000111.3V540 R541 P545 L548 L551 L569 L570 F597V540-W573 HydrophobicContact CG1-CH2 4.03Å; R541-W573 HydrophobicContact CB-CD2 4.42Å; R541-W573 HydrophobicContact CB-CE3 3.89Å; R541-W573 HydrophobicContact CB-CH2 4.07Å; R541-W573 HydrophobicContact CB-CZ3 3.69Å; R541-W573 HydrophobicContact CG-CD2 4Å; R541-W573 HydrophobicContact CG-CE3 3.76Å; R541-W573 HydrophobicContact CG-CZ3 4.12Å; P545-W573 WeakPolarHBondContact O-CZ2 3.29Å; P545-W573 PolarHBondContact O-NE1 3.46Å; P545-W573 VanDerWaalsContact O-NE1 3.07Å; L548-W573 HydrophobicContact CB-CH2 4.38Å; L548-W573 HydrophobicContact CB-CZ2 3.59Å; L548-W573 HydrophobicContact CD1-CD2 3.83Å; L548-W573 HydrophobicContact CD1-CE3 3.89Å; L548-W573 HydrophobicContact CD1-CH2 3.82Å; L548-W573 HydrophobicContact CD1-CZ2 3.74Å; L548-W573 HydrophobicContact CD1-CZ3 3.88Å; L548-W573 HydrophobicContact CD2-CD2 4.32Å; L548-W573 HydrophobicContact CD2-CG 4.27Å; L548-W573 HydrophobicContact CG-CD2 4.47Å; L548-W573 HydrophobicContact CG-CZ2 4.17Å; L551-W573 HydrophobicContact CD2-CH2 3.65Å; L551-W573 HydrophobicContact CD2-CZ3 3.55Å; L569-W573 HydrophobicContact CD2-CE3 4.09Å; L569-W573 HydrophobicContact CD2-CZ3 3.65Å; L569-W573 HydrophobicContact CG-CE3 3.87Å; L569-W573 HydrophobicContact CG-CZ3 3.95Å; L569-W573 PolarHBondContact O-N 3.48Å; L570-W573 PolarHBondContact O-N 3.42Å; W573-F597 HydrophobicContact CB-CD2 4.47Å; W573-F597 HydrophobicContact CB-CE2 3.86Å; W573-F597 HydrophobicContact CB-CZ 4.44Å; W573-F597 AromaticContact CD1-CE2 3.92Å; W573-F597 AromaticContact CD1-CZ 3.63Å; W573-F597 HydrophobicContact CG-CE2 4.21Å; W573-F597 HydrophobicContact CG-CZ 4.32Å
574P94.8Very high91.2Very high56 Ų5635.7 Ų35.736%0.36419%0.193SC..PPolyproline II helixtrans-57.4137.6176.1-24.934.2000112.1R541 P545 L576R541-P574 HydrophobicContact CG-CG 4.49Å; P545-P574 HydrophobicContact CB-CB 4.09Å; P545-P574 HydrophobicContact CB-CG 4.08Å; P574-L576 PolarHBondContact O-N 3.02Å
575E93.2Very high91.4Very high89 Ų8934.6 Ų34.642%0.41619%0.187SC..PPolyproline II helixtrans-63.1132.6180-67-176.1147.600111.8R600 K604E575-R600 IonicContact OE1-NE 2.68Å; E575-K604 WeakPolarHBondContact OE2-CE 3.31Å; E575-K604 IonicContact OE2-NZ 3.55Å; E575-K604 PolarHBondContact OE2-NZ 3.22Å
576L94.1Very high91.4Very high9 Ų933 Ų335%0.04718%0.18CC..PPolyproline II helixtrans-84.1154179.4-57.3-174.8000111.7P545 L548 P574 A578 A581 L584 F597P545-L576 HydrophobicContact CB-CD2 4.34Å; P545-L576 WeakPolarHBondContact O-CD2 3.42Å; L548-L576 HydrophobicContact CB-CD1 4.23Å; L548-L576 HydrophobicContact CD2-CD1 4.23Å; P574-L576 PolarHBondContact O-N 3.02Å; L576-A578 PolarHBondContact O-N 3.08Å; L576-A581 HydrophobicContact CB-CB 4.46Å; L576-L584 HydrophobicContact CD1-CD1 4.24Å; L576-F597 HydrophobicContact CD1-CE1 3.94Å; L576-F597 HydrophobicContact CD1-CZ 4.42Å; L576-F597 HydrophobicContact CG-CE1 3.85Å; L576-F597 HydrophobicContact CG-CZ 3.88Å
577P92Very high91.2Very high76 Ų7633.3 Ų33.349%0.49418%0.181SC..PPolyproline II helixtrans-52.6133.5160.2-22.933.4000110.4I579 Q580 A581P577-I579 PolarHBondContact O-N 3.17Å; P577-I579 VanDerWaalsContact O-N 3.09Å; P577-Q580 HydrophobicContact CB-CG 4.39Å; P577-Q580 PolarHBondContact O-N 2.83Å; P577-A581 PolarHBondContact O-N 3.18Å; P577-A581 VanDerWaalsContact O-N 3.13Å
578A89.1Confident91.2Very high15 Ų1534.4 Ų34.412%0.12419%0.189CC..Hα-helixtrans-55.1-35.8-173.700000113.6L576 Q580 A581 L582 L602 L605L576-A578 PolarHBondContact O-N 3.08Å; A578-Q580 VanDerWaalsContact C-N 3.33Å; A578-Q580 PolarHBondContact O-N 3.22Å; A578-A581 PolarHBondContact O-N 3.41Å; A578-L582 PolarHBondContact O-N 3.32Å; A578-L602 HydrophobicContact CB-CD2 4.08Å; A578-L602 VanDerWaalsContact O-CD2 3.29Å; A578-L602 WeakPolarHBondContact O-CD2 3.21Å; A578-L605 HydrophobicContact CB-CD1 4.46Å; A578-L605 HydrophobicContact CB-CD2 3.41Å; A578-L605 VanDerWaalsContact CB-CD2 3.41Å; A578-L605 HydrophobicContact CB-CG 3.6Å
579I84.1Confident91.4Very high59 Ų5933.4 Ų33.430%0.30318%0.181SC..Hα-helixtrans-60.9-39.3176.4-73.3168.4000112.4P577 L582 Y613 L970P577-I579 PolarHBondContact O-N 3.17Å; P577-I579 VanDerWaalsContact O-N 3.09Å; I579-L582 WeakPolarHBondContact O-CB 3.36Å; I579-Y613 HydrophobicContact CG1-CE2 4.38Å; I579-L970 HydrophobicContact CG1-CD1 4.5Å; I579-L970 HydrophobicContact CG2-CB 4.15Å; I579-L970 HydrophobicContact CG2-CD1 3.7Å; I579-L970 HydrophobicContact CG2-CG 4.32Å
580Q86.4Confident91.6Very high78 Ų7833.3 Ų33.336%0.36418%0.181SC..Hα-helixtrans-72.9-39177.8-65.8176.81.200110.5E546 P577 A578 L582 E583E546-Q580 VanDerWaalsContact CB-OE1 3.25Å; P577-Q580 HydrophobicContact CB-CG 4.39Å; P577-Q580 PolarHBondContact O-N 2.83Å; A578-Q580 VanDerWaalsContact C-N 3.33Å; A578-Q580 PolarHBondContact O-N 3.22Å; Q580-L582 PolarHBondContact O-N 3.06Å; Q580-E583 WeakPolarHBondContact O-CB 3.34Å; Q580-E583 PolarHBondContact O-N 3.04Å
581A93Very high91.8Very high0 Ų033.2 Ų33.20%018%0.181CC..Hα-helixtrans-61.6-23.8177.100000113.4L576 P577 A578 E583 L584 T598 C601 L602L576-A581 HydrophobicContact CB-CB 4.46Å; P577-A581 PolarHBondContact O-N 3.18Å; P577-A581 VanDerWaalsContact O-N 3.13Å; A578-A581 PolarHBondContact O-N 3.41Å; A581-E583 PolarHBondContact O-N 3.29Å; A581-L584 WeakPolarHBondContact O-CB 3.18Å; A581-L584 PolarHBondContact O-N 3Å; A581-T598 HydrophobicContact CB-CG2 4.31Å; A581-T598 WeakPolarHBondContact O-CG2 3.47Å; A581-C601 HydrophobicContact CB-CB 3.6Å; A581-L602 HydrophobicContact CB-CD2 4.34Å
582L91.7Very high92Very high0 Ų030.8 Ų30.80%018%0.175CC..G310 helixtrans-55.8-31.9175.5-71.4172.1000113.2A578 I579 Q580 L584 L585 L602 Y613 L617 L970 L974 M977A578-L582 PolarHBondContact O-N 3.32Å; I579-L582 WeakPolarHBondContact O-CB 3.36Å; Q580-L582 PolarHBondContact O-N 3.06Å; L582-L584 PolarHBondContact O-N 3.24Å; L582-L585 HydrophobicContact CD2-CD1 4.49Å; L582-L585 WeakPolarHBondContact O-CB 3.34Å; L582-L585 PolarHBondContact O-N 3.15Å; L582-L602 HydrophobicContact CD2-CD1 4.23Å; L582-L602 HydrophobicContact CD2-CD2 3.81Å; L582-L602 HydrophobicContact CG-CD2 4.14Å; L582-Y613 HydrophobicContact CD1-CD2 4.03Å; L582-Y613 HydrophobicContact CD1-CE2 4.35Å; L582-Y613 HydrophobicContact CD1-CG 4.21Å; L582-L617 HydrophobicContact CD2-CD2 3.92Å; L582-L970 HydrophobicContact CD1-CD1 4.44Å; L582-L974 HydrophobicContact CD1-CD2 4.3Å; L582-M977 HydrophobicContact CB-SD 4.15Å; L582-M977 HydrophobicContact CD2-CE 4.38Å; L582-M977 HydrophobicContact CD2-SD 4.47Å
583E90.4Very high92.2Very high56 Ų5629.1 Ų29.126%0.26217%0.166SC..G310 helixtrans-58.5-36.7176.7-168.4175.214400112.1S549 Q580 A581 L585 D586 F589 N973S549-E583 WeakPolarHBondContact CB-OE1 3.43Å; S549-E583 PolarHBondContact OG-OE1 3.44Å; Q580-E583 WeakPolarHBondContact O-CB 3.34Å; Q580-E583 PolarHBondContact O-N 3.04Å; A581-E583 PolarHBondContact O-N 3.29Å; E583-L585 PolarHBondContact O-N 3.4Å; E583-L585 VanDerWaalsContact O-N 3.16Å; E583-D586 VanDerWaalsContact O-CB 3.25Å; E583-D586 WeakPolarHBondContact O-CB 3.36Å; E583-D586 PolarHBondContact O-N 2.89Å; E583-F589 HydrophobicContact CG-CE2 4.4Å; E583-F589 WeakPolarHBondContact O-CD2 3.47Å; E583-F589 WeakPolarHBondContact O-CE2 3.43Å; E583-N973 PolarHBondContact OE2-ND2 3.14Å
584L94.4Very high92.3Very high2 Ų228.9 Ų28.91%0.0117%0.165CC..G310 helixtrans-73.7-3.5-176.9-56.3-179.9000113.1L548 L552 L576 A581 L582 F589 V594 F597 T598L548-L584 HydrophobicContact CD2-CD1 3.83Å; L548-L584 HydrophobicContact CG-CD1 4.39Å; L552-L584 HydrophobicContact CD1-CD2 3.73Å; L576-L584 HydrophobicContact CD1-CD1 4.24Å; A581-L584 WeakPolarHBondContact O-CB 3.18Å; A581-L584 PolarHBondContact O-N 3Å; L582-L584 PolarHBondContact O-N 3.24Å; L584-F589 HydrophobicContact CD2-CD1 4.29Å; L584-F589 HydrophobicContact CD2-CD2 4.3Å; L584-F589 HydrophobicContact CD2-CE1 4.27Å; L584-F589 HydrophobicContact CD2-CE2 4.28Å; L584-F589 HydrophobicContact CD2-CG 4.3Å; L584-F589 HydrophobicContact CD2-CZ 4.27Å; L584-F589 WeakPolarHBondContact O-CB 3.32Å; L584-V594 HydrophobicContact CB-CG1 4.2Å; L584-F597 HydrophobicContact CD1-CD1 4.13Å; L584-F597 HydrophobicContact CD1-CE1 4.23Å; L584-T598 HydrophobicContact CB-CG2 4.16Å; L584-T598 WeakPolarHBondContact CB-OG1 3.47Å
585L94.5Very high92.3Very high0 Ų026.6 Ų26.60%015%0.149CC..G310 helixtrans-86.6-9.3168.5-66-179.7000113.2L582 E583 R595 T598 I599 L602 L617 V620 L631 M977L582-L585 HydrophobicContact CD2-CD1 4.49Å; L582-L585 WeakPolarHBondContact O-CB 3.34Å; L582-L585 PolarHBondContact O-N 3.15Å; E583-L585 PolarHBondContact O-N 3.4Å; E583-L585 VanDerWaalsContact O-N 3.16Å; L585-R595 PolarHBondContact O-NH1 3.39Å; L585-R595 PolarHBondContact O-NH2 2.9Å; L585-T598 HydrophobicContact CD1-CG2 4.47Å; L585-T598 HydrophobicContact CD2-CG2 3.6Å; L585-T598 HydrophobicContact CG-CG2 3.66Å; L585-I599 HydrophobicContact CD2-CD1 4.22Å; L585-L602 HydrophobicContact CD1-CD1 3.67Å; L585-L602 HydrophobicContact CG-CD1 4.45Å; L585-L617 HydrophobicContact CD1-CD2 3.41Å; L585-L617 VanDerWaalsContact CD1-CD2 3.41Å; L585-V620 HydrophobicContact CB-CB 4.35Å; L585-V620 HydrophobicContact CB-CG1 4.37Å; L585-V620 HydrophobicContact CB-CG2 4.08Å; L585-V620 HydrophobicContact CD1-CG2 4.06Å; L585-L631 HydrophobicContact CD1-CD1 4.46Å; L585-M977 HydrophobicContact CB-CE 4.19Å; L585-M977 HydrophobicContact CD1-CE 4.01Å
586D90.3Very high92.4Very high24 Ų2428.9 Ų28.913%0.12816%0.155CC..SBendtrans-59.5153.4174.9-176.866.1000111.6E583 S588 F589 R595E583-D586 VanDerWaalsContact O-CB 3.25Å; E583-D586 WeakPolarHBondContact O-CB 3.36Å; E583-D586 PolarHBondContact O-N 2.89Å; D586-S588 PolarHBondContact O-N 3.36Å; D586-S588 WeakPolarHBondContact OD2-CB 3.41Å; D586-S588 PolarHBondContact OD2-N 3.34Å; D586-S588 PolarHBondContact OD2-OG 2.84Å; D586-F589 HydrophobicContact CB-CD2 4.15Å; D586-F589 HydrophobicContact CB-CE2 4.3Å; D586-F589 PolarHBondContact O-N 3.39Å; D586-R595 PolarHBondContact O-NH2 3.48Å
587Y89.5Confident92.5Very high6 Ų628.6 Ų28.62%0.02415%0.153CC..THydrogen-bonded Turntrans-54.1-25.1179.7175.1-96.4000114G352 S353 R391 P457 M458 F589 Y623G352-Y587 VanDerWaalsContact C-CZ 3.48Å; G352-Y587 WeakPolarHBondContact CA-O 3.02Å; G352-Y587 WeakPolarHBondContact O-CE1 3.35Å; G352-Y587 PolarHBondContact O-OH 3Å; S353-Y587 VanDerWaalsContact N-CE1 3.32Å; R391-Y587 PolarHBondContact NH1-OH 3.29Å; P457-Y587 VanDerWaalsContact C-CZ 3.5Å; P457-Y587 PolarHBondContact O-OH 3.32Å; M458-Y587 HydrophobicContact CB-CD1 4.5Å; M458-Y587 HydrophobicContact CB-CE1 4.41Å; M458-Y587 HydrophobicContact CG-CD1 3.68Å; M458-Y587 HydrophobicContact CG-CE1 3.75Å; M458-Y587 HydrophobicContact CG-CG 4.19Å; Y587-F589 PolarHBondContact O-N 3.21Å; Y587-Y623 AromaticContact CD2-CD1 3.8Å; Y587-Y623 HydrophobicContact CD2-CD1 3.8Å; Y587-Y623 HydrophobicContact CD2-CE1 4.36Å; Y587-Y623 HydrophobicContact CD2-CG 4.16Å; Y587-Y623 HydrophobicContact CG-CD1 4.2Å; Y587-Y623 HydrophobicContact CG-CE1 4.4Å; Y587-Y623 HydrophobicContact CG-CG 4.47Å
588S91Very high92.7Very high31 Ų3125 Ų2522%0.21713%0.13CC..THydrogen-bonded Turntrans-62.3-19.5176.9-500000113.7D586 P590D586-S588 PolarHBondContact O-N 3.36Å; D586-S588 WeakPolarHBondContact OD2-CB 3.41Å; D586-S588 PolarHBondContact OD2-N 3.34Å; D586-S588 PolarHBondContact OD2-OG 2.84Å; S588-P590 VanDerWaalsContact C-CD 3.45Å; S588-P590 VanDerWaalsContact O-CD 3.26Å; S588-P590 WeakPolarHBondContact O-CD 2.79Å
589F94.8Very high93.1Very high10 Ų1024.6 Ų24.64%0.04413%0.125CC..  trans-12068-174.5-49.9-73.1000111.6L552 L553 E583 L584 D586 Y587 D591 V594 R595L552-F589 HydrophobicContact CB-CD1 3.87Å; L552-F589 HydrophobicContact CB-CE1 3.8Å; L552-F589 HydrophobicContact CD1-CD1 3.97Å; L552-F589 HydrophobicContact CD1-CE1 4.29Å; L553-F589 HydrophobicContact CD1-CZ 4.41Å; L553-F589 HydrophobicContact CD2-CE1 4.04Å; L553-F589 HydrophobicContact CD2-CZ 4.14Å; L553-F589 HydrophobicContact CG-CE1 3.9Å; L553-F589 HydrophobicContact CG-CZ 4.04Å; E583-F589 HydrophobicContact CG-CE2 4.4Å; E583-F589 WeakPolarHBondContact O-CD2 3.47Å; E583-F589 WeakPolarHBondContact O-CE2 3.43Å; L584-F589 HydrophobicContact CD2-CD1 4.29Å; L584-F589 HydrophobicContact CD2-CD2 4.3Å; L584-F589 HydrophobicContact CD2-CE1 4.27Å; L584-F589 HydrophobicContact CD2-CE2 4.28Å; L584-F589 HydrophobicContact CD2-CG 4.3Å; L584-F589 HydrophobicContact CD2-CZ 4.27Å; L584-F589 WeakPolarHBondContact O-CB 3.32Å; D586-F589 HydrophobicContact CB-CD2 4.15Å; D586-F589 HydrophobicContact CB-CE2 4.3Å; D586-F589 PolarHBondContact O-N 3.39Å; Y587-F589 PolarHBondContact O-N 3.21Å; F589-D591 VanDerWaalsContact C-N 3.34Å; F589-D591 PolarHBondContact O-N 3.32Å; F589-V594 HydrophobicContact CB-CG1 4.01Å; F589-R595 VanDerWaalsContact O-CZ 3.26Å; F589-R595 PolarHBondContact O-NE 3.32Å; F589-R595 PolarHBondContact O-NH2 2.98Å
590P95.4Very high93.6Very high8 Ų825.3 Ų25.35%0.05212%0.124CC..  trans-79.9-14.4-17336.5-41.4000113.6H351 M389 S588H351-P590 VanDerWaalsContact NE2-CG 3.33Å; H351-P590 WeakPolarHBondContact NE2-CG 3.33Å; M389-P590 HydrophobicContact CB-CB 4.08Å; M389-P590 HydrophobicContact CB-CG 4.11Å; M389-P590 HydrophobicContact CG-CB 4.41Å; M389-P590 WeakPolarHBondContact CG-O 3.37Å; S588-P590 VanDerWaalsContact C-CD 3.45Å; S588-P590 VanDerWaalsContact O-CD 3.26Å; S588-P590 WeakPolarHBondContact O-CD 2.79Å
591D95.5Very high94.1Very high4 Ų421.6 Ų21.62%0.02111%0.107CC..  trans-62.3134.2-170.4-172.7-91.7000113.3W557 F589 A593 V594 R595W557-D591 HydrophobicContact CH2-CB 3.69Å; W557-D591 HydrophobicContact CZ3-CB 3.8Å; F589-D591 VanDerWaalsContact C-N 3.34Å; F589-D591 PolarHBondContact O-N 3.32Å; D591-A593 VanDerWaalsContact C-N 3.31Å; D591-A593 PolarHBondContact O-N 2.8Å; D591-A593 VanDerWaalsContact OD1-CB 3.28Å; D591-A593 WeakPolarHBondContact OD1-CB 3.39Å; D591-A593 PolarHBondContact OD1-N 3Å; D591-V594 HydrophobicContact CB-CB 4.35Å; D591-V594 HydrophobicContact CB-CG2 3.97Å; D591-V594 WeakPolarHBondContact O-CB 3.41Å; D591-V594 PolarHBondContact O-N 3.46Å; D591-V594 VanDerWaalsContact O-N 3.14Å; D591-R595 WeakPolarHBondContact O-CG 3.38Å; D591-R595 PolarHBondContact O-N 2.86Å
592P93.6Very high94.3Very high53 Ų5321.6 Ų21.634%0.34411%0.107SC..Hα-helixtrans-61.5-33.6-177-24.335.6000113.9R388 M389 V594 R595 Y596R388-P592 HydrophobicContact CG-CG 4.11Å; M389-P592 HydrophobicContact CG-CG 4.22Å; M389-P592 HydrophobicContact SD-CG 3.81Å; P592-V594 VanDerWaalsContact C-N 3.33Å; P592-R595 PolarHBondContact O-N 2.77Å; P592-Y596 VanDerWaalsContact O-CB 3.31Å; P592-Y596 WeakPolarHBondContact O-CB 3.33Å; P592-Y596 PolarHBondContact O-N 3.25Å
593A93.8Very high94.5Very high29 Ų2927.5 Ų27.524%0.2413%0.133CC..Hα-helixtrans-68.7-36.9178.400000111.2V567 L570 D591 F597V567-A593 HydrophobicContact CG1-CB 3.93Å; V567-A593 HydrophobicContact CG2-CB 4.12Å; L570-A593 HydrophobicContact CD1-CB 4.2Å; D591-A593 VanDerWaalsContact C-N 3.31Å; D591-A593 PolarHBondContact O-N 2.8Å; D591-A593 VanDerWaalsContact OD1-CB 3.28Å; D591-A593 WeakPolarHBondContact OD1-CB 3.39Å; D591-A593 PolarHBondContact OD1-N 3Å; A593-F597 WeakPolarHBondContact O-CB 3.26Å; A593-F597 PolarHBondContact O-N 2.92Å
594V95.9Very high94.6Very high1 Ų131.2 Ų31.21%0.00615%0.148CC..Hα-helixtrans-66.6-43.6173.1-178.70000110.7L552 W557 L570 L584 F589 D591 P592 F597 T598L552-V594 HydrophobicContact CD1-CG1 3.76Å; L552-V594 HydrophobicContact CD1-CG2 4.01Å; L552-V594 HydrophobicContact CD2-CG2 3.59Å; L552-V594 HydrophobicContact CG-CG2 4.47Å; W557-V594 HydrophobicContact CH2-CG2 4.41Å; L570-V594 HydrophobicContact CD1-CG2 3.71Å; L584-V594 HydrophobicContact CB-CG1 4.2Å; F589-V594 HydrophobicContact CB-CG1 4.01Å; D591-V594 HydrophobicContact CB-CB 4.35Å; D591-V594 HydrophobicContact CB-CG2 3.97Å; D591-V594 WeakPolarHBondContact O-CB 3.41Å; D591-V594 PolarHBondContact O-N 3.46Å; D591-V594 VanDerWaalsContact O-N 3.14Å; P592-V594 VanDerWaalsContact C-N 3.33Å; V594-F597 PolarHBondContact O-N 3.15Å; V594-T598 WeakPolarHBondContact O-CB 3.43Å; V594-T598 PolarHBondContact O-N 3.46Å; V594-T598 PolarHBondContact O-OG1 3.49Å
595R95.7Very high94.6Very high9 Ų931.5 Ų31.53%0.03415%0.149CC..Hα-helixtrans-61.1-47.2176.8-66-73.2164.5168.8-14111.1L585 D586 F589 D591 P592 F597 T598 I599 E624L585-R595 PolarHBondContact O-NH1 3.39Å; L585-R595 PolarHBondContact O-NH2 2.9Å; D586-R595 PolarHBondContact O-NH2 3.48Å; F589-R595 VanDerWaalsContact O-CZ 3.26Å; F589-R595 PolarHBondContact O-NE 3.32Å; F589-R595 PolarHBondContact O-NH2 2.98Å; D591-R595 WeakPolarHBondContact O-CG 3.38Å; D591-R595 PolarHBondContact O-N 2.86Å; P592-R595 PolarHBondContact O-N 2.77Å; R595-F597 PolarHBondContact O-N 2.89Å; R595-T598 WeakPolarHBondContact O-CB 3.49Å; R595-T598 PolarHBondContact O-N 3.39Å; R595-I599 WeakPolarHBondContact O-CG1 3.25Å; R595-I599 PolarHBondContact O-N 3.15Å; R595-E624 WeakPolarHBondContact CD-OE1 3.46Å; R595-E624 IonicContact CZ-OE1 3.33Å; R595-E624 IonicContact NE-OE1 3.43Å; R595-E624 IonicContact NH1-OE1 2.67Å; R595-E624 PolarHBondContact NH1-OE1 2.9Å
596Y94.9Very high94.5Very high137 Ų13734 Ų3454%0.53717%0.167SC..Hα-helixtrans-58.9-48.8176.1176.8-98.6000112.2P592 T598 I599 R600P592-Y596 VanDerWaalsContact O-CB 3.31Å; P592-Y596 WeakPolarHBondContact O-CB 3.33Å; P592-Y596 PolarHBondContact O-N 3.25Å; Y596-T598 VanDerWaalsContact C-N 3.27Å; Y596-T598 PolarHBondContact O-N 2.91Å; Y596-I599 PolarHBondContact O-N 3.33Å; Y596-R600 WeakPolarHBondContact O-CB 3.32Å; Y596-R600 PolarHBondContact O-N 3.34Å
597F96.2Very high94.7Very high3 Ų335.7 Ų35.71%0.01318%0.176CC..Hα-helixtrans-56.2-44.4175.4174.8-88.4000111.5L548 L570 W573 L576 L584 A593 V594 R595 R600 C601L548-F597 HydrophobicContact CD2-CD1 3.92Å; L548-F597 HydrophobicContact CD2-CE1 3.56Å; L548-F597 HydrophobicContact CD2-CZ 4.05Å; L570-F597 HydrophobicContact CD2-CG 4.45Å; W573-F597 HydrophobicContact CB-CD2 4.47Å; W573-F597 HydrophobicContact CB-CE2 3.86Å; W573-F597 HydrophobicContact CB-CZ 4.44Å; W573-F597 AromaticContact CD1-CE2 3.92Å; W573-F597 AromaticContact CD1-CZ 3.63Å; W573-F597 HydrophobicContact CG-CE2 4.21Å; W573-F597 HydrophobicContact CG-CZ 4.32Å; L576-F597 HydrophobicContact CD1-CE1 3.94Å; L576-F597 HydrophobicContact CD1-CZ 4.42Å; L576-F597 HydrophobicContact CG-CE1 3.85Å; L576-F597 HydrophobicContact CG-CZ 3.88Å; L584-F597 HydrophobicContact CD1-CD1 4.13Å; L584-F597 HydrophobicContact CD1-CE1 4.23Å; A593-F597 WeakPolarHBondContact O-CB 3.26Å; A593-F597 PolarHBondContact O-N 2.92Å; V594-F597 PolarHBondContact O-N 3.15Å; R595-F597 PolarHBondContact O-N 2.89Å; F597-R600 WeakPolarHBondContact O-CB 3.48Å; F597-R600 PolarHBondContact O-N 2.86Å; F597-C601 PolarHBondContact O-N 2.75Å; F597-C601 VanDerWaalsContact O-N 3.13Å; F597-C601 PolarHBondContact O-SG 3.39Å
598T96.8Very high94.7Very high0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-61.3-51.3179-57.50000111.3A581 L584 L585 V594 R595 Y596 R600 C601 L602A581-T598 HydrophobicContact CB-CG2 4.31Å; A581-T598 WeakPolarHBondContact O-CG2 3.47Å; L584-T598 HydrophobicContact CB-CG2 4.16Å; L584-T598 WeakPolarHBondContact CB-OG1 3.47Å; L585-T598 HydrophobicContact CD1-CG2 4.47Å; L585-T598 HydrophobicContact CD2-CG2 3.6Å; L585-T598 HydrophobicContact CG-CG2 3.66Å; V594-T598 WeakPolarHBondContact O-CB 3.43Å; V594-T598 PolarHBondContact O-N 3.46Å; V594-T598 PolarHBondContact O-OG1 3.49Å; R595-T598 WeakPolarHBondContact O-CB 3.49Å; R595-T598 PolarHBondContact O-N 3.39Å; Y596-T598 VanDerWaalsContact C-N 3.27Å; Y596-T598 PolarHBondContact O-N 2.91Å; T598-R600 VanDerWaalsContact C-N 3.3Å; T598-R600 PolarHBondContact O-N 2.68Å; T598-C601 WeakPolarHBondContact O-CB 3.49Å; T598-C601 PolarHBondContact O-N 3.39Å; T598-L602 HydrophobicContact CG2-CD1 4.23Å; T598-L602 HydrophobicContact CG2-CG 4.38Å; T598-L602 WeakPolarHBondContact O-CG 3.44Å; T598-L602 PolarHBondContact O-N 2.99Å
599I97.3Very high94.8Very high7 Ų740 Ų404%0.03620%0.195CC..Hα-helixtrans-63.1-36.5179.3-61.8-48.4000111.6L585 R595 Y596 C601 L602 K603 D630 L631 F634L585-I599 HydrophobicContact CD2-CD1 4.22Å; R595-I599 WeakPolarHBondContact O-CG1 3.25Å; R595-I599 PolarHBondContact O-N 3.15Å; Y596-I599 PolarHBondContact O-N 3.33Å; I599-C601 VanDerWaalsContact C-N 3.29Å; I599-C601 PolarHBondContact O-N 2.92Å; I599-L602 HydrophobicContact CD1-CD1 4.12Å; I599-L602 PolarHBondContact O-N 3.44Å; I599-K603 WeakPolarHBondContact O-CG 3.32Å; I599-K603 PolarHBondContact O-N 2.99Å; I599-D630 HydrophobicContact CB-CB 4.12Å; I599-D630 HydrophobicContact CG1-CB 3.66Å; I599-D630 HydrophobicContact CG2-CB 4.31Å; I599-L631 HydrophobicContact CD1-CB 4.01Å; I599-L631 HydrophobicContact CD1-CD1 3.79Å; I599-L631 HydrophobicContact CD1-CG 4.49Å; I599-F634 HydrophobicContact CG2-CB 3.77Å; I599-F634 HydrophobicContact CG2-CD2 4.33Å; I599-F634 HydrophobicContact CG2-CG 4.06Å
600R95.4Very high94.8Very high73 Ų7339.5 Ų39.528%0.27519%0.193SC..Hα-helixtrans-56.3-43.2171.8-178.7177.565.4167.93.5111.7E575 Y596 F597 T598E575-R600 IonicContact OE1-NE 2.68Å; Y596-R600 WeakPolarHBondContact O-CB 3.32Å; Y596-R600 PolarHBondContact O-N 3.34Å; F597-R600 WeakPolarHBondContact O-CB 3.48Å; F597-R600 PolarHBondContact O-N 2.86Å; T598-R600 VanDerWaalsContact C-N 3.3Å; T598-R600 PolarHBondContact O-N 2.68Å
601C96.3Very high94.8Very high0 Ų041 Ų410%020%0.2CC..Hα-helixtrans-67.4-42.1175.7-59.50000111.9A581 F597 T598 I599 K603 K604A581-C601 HydrophobicContact CB-CB 3.6Å; F597-C601 PolarHBondContact O-N 2.75Å; F597-C601 VanDerWaalsContact O-N 3.13Å; F597-C601 PolarHBondContact O-SG 3.39Å; T598-C601 WeakPolarHBondContact O-CB 3.49Å; T598-C601 PolarHBondContact O-N 3.39Å; I599-C601 VanDerWaalsContact C-N 3.29Å; I599-C601 PolarHBondContact O-N 2.92Å; C601-K603 VanDerWaalsContact C-N 3.3Å; C601-K603 PolarHBondContact O-N 2.79Å; C601-K604 PolarHBondContact O-N 3.11Å
602L96.4Very high94.7Very high0 Ų041.9 Ų41.90%020%0.204CC..Hα-helixtrans-69.3-22-178.8-62.5-174.1000114.1A578 A581 L582 L585 T598 I599 K604 L605 L617 F634A578-L602 HydrophobicContact CB-CD2 4.08Å; A578-L602 VanDerWaalsContact O-CD2 3.29Å; A578-L602 WeakPolarHBondContact O-CD2 3.21Å; A581-L602 HydrophobicContact CB-CD2 4.34Å; L582-L602 HydrophobicContact CD2-CD1 4.23Å; L582-L602 HydrophobicContact CD2-CD2 3.81Å; L582-L602 HydrophobicContact CG-CD2 4.14Å; L585-L602 HydrophobicContact CD1-CD1 3.67Å; L585-L602 HydrophobicContact CG-CD1 4.45Å; T598-L602 HydrophobicContact CG2-CD1 4.23Å; T598-L602 HydrophobicContact CG2-CG 4.38Å; T598-L602 WeakPolarHBondContact O-CG 3.44Å; T598-L602 PolarHBondContact O-N 2.99Å; I599-L602 HydrophobicContact CD1-CD1 4.12Å; I599-L602 PolarHBondContact O-N 3.44Å; L602-K604 PolarHBondContact O-N 3.29Å; L602-K604 VanDerWaalsContact O-N 3.08Å; L602-L605 HydrophobicContact CB-CD1 4.31Å; L602-L605 HydrophobicContact CD2-CD1 3.94Å; L602-L605 HydrophobicContact CD2-CG 4.49Å; L602-L605 WeakPolarHBondContact O-CB 3.39Å; L602-L605 WeakPolarHBondContact O-CG 3.23Å; L602-L605 PolarHBondContact O-N 3.26Å; L602-L617 HydrophobicContact CD1-CD2 4.09Å; L602-F634 HydrophobicContact CB-CE1 4.33Å; L602-F634 HydrophobicContact CB-CZ 4.17Å
603K95.6Very high94.8Very high125 Ų12539.8 Ų39.854%0.54319%0.189SC..THydrogen-bonded Turntrans-57.5-20.3172.3-79.1179.5176.9-175.40113.4I599 C601 F634I599-K603 WeakPolarHBondContact O-CG 3.32Å; I599-K603 PolarHBondContact O-N 2.99Å; C601-K603 VanDerWaalsContact C-N 3.3Å; C601-K603 PolarHBondContact O-N 2.79Å; K603-F634 HydrophobicContact CG-CD2 4.03Å; K603-F634 HydrophobicContact CG-CE2 4.07Å
604K93.6Very high95Very high133 Ų13338.4 Ų38.458%0.57818%0.178SC*.THydrogen-bonded Turntrans-82-11.3175.5-60.7-175.2179.8-178.40114.6E575 C601 L602 S606E575-K604 WeakPolarHBondContact OE2-CE 3.31Å; E575-K604 IonicContact OE2-NZ 3.55Å; E575-K604 PolarHBondContact OE2-NZ 3.22Å; C601-K604 PolarHBondContact O-N 3.11Å; L602-K604 PolarHBondContact O-N 3.29Å; L602-K604 VanDerWaalsContact O-N 3.08Å; K604-S606 PolarHBondContact O-N 3.38Å
605L93.7Very high95.1Very high8 Ų839.6 Ų39.64%0.04218%0.184CC..SBendtrans-61132.3176.8-73.5174000110.3A578 L602 E609 Y613 R638A578-L605 HydrophobicContact CB-CD1 4.46Å; A578-L605 HydrophobicContact CB-CD2 3.41Å; A578-L605 VanDerWaalsContact CB-CD2 3.41Å; A578-L605 HydrophobicContact CB-CG 3.6Å; L602-L605 HydrophobicContact CB-CD1 4.31Å; L602-L605 HydrophobicContact CD2-CD1 3.94Å; L602-L605 HydrophobicContact CD2-CG 4.49Å; L602-L605 WeakPolarHBondContact O-CB 3.39Å; L602-L605 WeakPolarHBondContact O-CG 3.23Å; L602-L605 PolarHBondContact O-N 3.26Å; L605-E609 HydrophobicContact CD2-CB 3.92Å; L605-Y613 HydrophobicContact CD1-CD2 4.46Å; L605-Y613 HydrophobicContact CD2-CD2 4.49Å; L605-Y613 HydrophobicContact CD2-CE2 4.28Å; L605-R638 PolarHBondContact O-NH1 3.16Å; L605-R638 PolarHBondContact O-NH2 3.25Å
606S92.9Very high95.1Very high52 Ų5239.1 Ų39.136%0.36418%0.182SC..  trans-61159165.6630000111K604 D608 E609 L610 R638K604-S606 PolarHBondContact O-N 3.38Å; S606-D608 PolarHBondContact O-N 3.37Å; S606-E609 PolarHBondContact N-OE2 3.43Å; S606-E609 VanDerWaalsContact N-OE2 3.16Å; S606-E609 PolarHBondContact O-N 3.44Å; S606-E609 WeakPolarHBondContact OG-CB 3.46Å; S606-E609 VanDerWaalsContact OG-CD 3.3Å; S606-E609 WeakPolarHBondContact OG-CG 3.21Å; S606-E609 PolarHBondContact OG-N 2.91Å; S606-E609 PolarHBondContact OG-OE2 3.31Å; S606-L610 WeakPolarHBondContact O-CB 3.43Å; S606-L610 PolarHBondContact O-N 3.31Å; S606-R638 PolarHBondContact O-NH2 3.11Å
607D94Very high95.3Very high60 Ų6032.6 Ų32.632%0.32116%0.157SC..Hα-helixtrans-61.7-34.6177.3-76.9-13.2000112.3L610 L611 R638 N642 I645D607-L610 PolarHBondContact O-N 2.98Å; D607-L611 WeakPolarHBondContact O-CB 3.22Å; D607-L611 WeakPolarHBondContact O-CG 3.37Å; D607-L611 PolarHBondContact O-N 3.5Å; D607-R638 IonicContact OD1-CZ 3.73Å; D607-R638 IonicContact OD1-NE 2.87Å; D607-R638 PolarHBondContact OD1-NE 2.92Å; D607-R638 IonicContact OD1-NH2 3.59Å; D607-R638 PolarHBondContact OD1-NH2 3.42Å; D607-N642 PolarHBondContact OD2-ND2 3.06Å; D607-I645 HydrophobicContact CB-CD1 3.91Å
608D90.8Very high95.4Very high71 Ų7132.5 Ų32.538%0.3816%0.156SC..Hα-helixtrans-67.3-42.6176.8-76.5-33.1000112.3S606 L611 Q612S606-D608 PolarHBondContact O-N 3.37Å; D608-L611 PolarHBondContact O-N 3.39Å; D608-Q612 WeakPolarHBondContact O-CB 3.4Å; D608-Q612 PolarHBondContact O-N 3.41Å
609E92.3Very high95.4Very high57 Ų5732.9 Ų32.927%0.26616%0.158SC..Hα-helixtrans-67.5-40.6174.5-70.6167.9136.200111.3L605 S606 L611 Q612 Y613L605-E609 HydrophobicContact CD2-CB 3.92Å; S606-E609 PolarHBondContact N-OE2 3.43Å; S606-E609 VanDerWaalsContact N-OE2 3.16Å; S606-E609 PolarHBondContact O-N 3.44Å; S606-E609 WeakPolarHBondContact OG-CB 3.46Å; S606-E609 VanDerWaalsContact OG-CD 3.3Å; S606-E609 WeakPolarHBondContact OG-CG 3.21Å; S606-E609 PolarHBondContact OG-N 2.91Å; S606-E609 PolarHBondContact OG-OE2 3.31Å; E609-L611 PolarHBondContact O-N 3.47Å; E609-Q612 WeakPolarHBondContact O-CB 3.39Å; E609-Q612 PolarHBondContact O-N 2.86Å; E609-Q612 VanDerWaalsContact O-N 3.1Å; E609-Y613 HydrophobicContact CB-CE2 4.07Å; E609-Y613 WeakPolarHBondContact O-CD2 3.3Å; E609-Y613 WeakPolarHBondContact O-CE2 3.41Å; E609-Y613 PolarHBondContact O-N 3.07Å; E609-Y613 VanDerWaalsContact O-N 3.15Å
610L95.5Very high95.4Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-60.3-45.9175.7178.758.4000111.3S606 D607 Q612 Y613 L614 L617 F634 R638 I645S606-L610 WeakPolarHBondContact O-CB 3.43Å; S606-L610 PolarHBondContact O-N 3.31Å; D607-L610 PolarHBondContact O-N 2.98Å; L610-Q612 VanDerWaalsContact C-N 3.25Å; L610-Q612 PolarHBondContact O-N 3.11Å; L610-Y613 CarbonylContact O-C 3.45Å; L610-Y613 PolarHBondContact O-N 3.46Å; L610-Y613 VanDerWaalsContact O-N 3.11Å; L610-L614 WeakPolarHBondContact O-CA 3.46Å; L610-L614 WeakPolarHBondContact O-CB 3.5Å; L610-L614 PolarHBondContact O-N 3.22Å; L610-L617 HydrophobicContact CD1-CD1 3.18Å; L610-F634 HydrophobicContact CD1-CE1 4.03Å; L610-F634 HydrophobicContact CD1-CZ 4.26Å; L610-F634 HydrophobicContact CD2-CZ 4.26Å; L610-R638 HydrophobicContact CD2-CB 3.55Å; L610-R638 HydrophobicContact CD2-CG 3.58Å; L610-I645 HydrophobicContact CB-CD1 4.48Å; L610-I645 HydrophobicContact CD2-CD1 3.79Å; L610-I645 HydrophobicContact CD2-CG2 4.5Å; L610-I645 HydrophobicContact CG-CD1 4.26Å
611L94.7Very high95.5Very high39 Ų3929.1 Ų29.120%0.20414%0.144CC..Hα-helixtrans-58.1-38.6173.2-79.9170.9000112.1D607 D608 E609 Y613 L614 R644 I645 F648D607-L611 WeakPolarHBondContact O-CB 3.22Å; D607-L611 WeakPolarHBondContact O-CG 3.37Å; D607-L611 PolarHBondContact O-N 3.5Å; D608-L611 PolarHBondContact O-N 3.39Å; E609-L611 PolarHBondContact O-N 3.47Å; L611-Y613 PolarHBondContact O-N 3.25Å; L611-L614 HydrophobicContact CD2-CD2 4.35Å; L611-L614 PolarHBondContact O-N 3Å; L611-R644 HydrophobicContact CD1-CG 4.1Å; L611-R644 HydrophobicContact CD2-CG 4.47Å; L611-I645 HydrophobicContact CD1-CG1 4.3Å; L611-I645 HydrophobicContact CD2-CB 4.36Å; L611-I645 HydrophobicContact CD2-CG1 3.7Å; L611-I645 HydrophobicContact CG-CG1 3.71Å; L611-F648 HydrophobicContact CD2-CD2 3.93Å
612Q94.4Very high95.5Very high22 Ų2230.8 Ų30.810%0.10315%0.151CC..Hα-helixtrans-67.1-21.3178.7-173.660.363.400113D608 E609 L610 Q789 L793D608-Q612 WeakPolarHBondContact O-CB 3.4Å; D608-Q612 PolarHBondContact O-N 3.41Å; E609-Q612 WeakPolarHBondContact O-CB 3.39Å; E609-Q612 PolarHBondContact O-N 2.86Å; E609-Q612 VanDerWaalsContact O-N 3.1Å; L610-Q612 VanDerWaalsContact C-N 3.25Å; L610-Q612 PolarHBondContact O-N 3.11Å; Q612-Q789 PolarHBondContact NE2-O 3.14Å; Q612-Q789 PolarHBondContact O-NE2 3.39Å; Q612-L793 HydrophobicContact CG-CD1 4.22Å
613Y95.6Very high95.4Very high9 Ų931.5 Ų31.54%0.03515%0.154CC..Hα-helixtrans-116.54.1-179.9-48-45.1000113.8I579 L582 L605 E609 L610 L611 I615 Q616 L617 L793 L970 L974I579-Y613 HydrophobicContact CG1-CE2 4.38Å; L582-Y613 HydrophobicContact CD1-CD2 4.03Å; L582-Y613 HydrophobicContact CD1-CE2 4.35Å; L582-Y613 HydrophobicContact CD1-CG 4.21Å; L605-Y613 HydrophobicContact CD1-CD2 4.46Å; L605-Y613 HydrophobicContact CD2-CD2 4.49Å; L605-Y613 HydrophobicContact CD2-CE2 4.28Å; E609-Y613 HydrophobicContact CB-CE2 4.07Å; E609-Y613 WeakPolarHBondContact O-CD2 3.3Å; E609-Y613 WeakPolarHBondContact O-CE2 3.41Å; E609-Y613 PolarHBondContact O-N 3.07Å; E609-Y613 VanDerWaalsContact O-N 3.15Å; L610-Y613 CarbonylContact O-C 3.45Å; L610-Y613 PolarHBondContact O-N 3.46Å; L610-Y613 VanDerWaalsContact O-N 3.11Å; L611-Y613 PolarHBondContact O-N 3.25Å; Y613-I615 VanDerWaalsContact C-N 3.29Å; Y613-I615 PolarHBondContact O-N 3.5Å; Y613-Q616 PolarHBondContact O-N 3.33Å; Y613-Q616 VanDerWaalsContact O-N 3.1Å; Y613-Q616 PolarHBondContact O-OE1 3.14Å; Y613-L617 WeakPolarHBondContact O-CG 3.34Å; Y613-L617 PolarHBondContact O-N 3.45Å; Y613-L617 VanDerWaalsContact O-N 3.09Å; Y613-L793 HydrophobicContact CE1-CD1 4.47Å; Y613-L970 HydrophobicContact CE1-CD1 4.16Å; Y613-L974 HydrophobicContact CD1-CD1 4.1Å; Y613-L974 HydrophobicContact CD1-CD2 3.62Å; Y613-L974 HydrophobicContact CE1-CD1 4.09Å; Y613-L974 HydrophobicContact CE1-CD2 4.26Å; Y613-L974 HydrophobicContact CG-CD2 4.23Å
614L97.9Very high95.4Very high1 Ų126.4 Ų26.41%0.00513%0.132CC..Hα-helixtrans-60.7-36.3-170.3-17361.8000112.8L610 L611 Q616 L617 V618 L635 I645 F648 L649L610-L614 WeakPolarHBondContact O-CA 3.46Å; L610-L614 WeakPolarHBondContact O-CB 3.5Å; L610-L614 PolarHBondContact O-N 3.22Å; L611-L614 HydrophobicContact CD2-CD2 4.35Å; L611-L614 PolarHBondContact O-N 3Å; L614-Q616 PolarHBondContact O-N 2.94Å; L614-L617 PolarHBondContact O-N 3.03Å; L614-V618 WeakPolarHBondContact O-CG2 3.44Å; L614-V618 PolarHBondContact O-N 3.1Å; L614-L635 HydrophobicContact CD1-CD2 3.98Å; L614-I645 HydrophobicContact CD2-CG2 4.45Å; L614-F648 HydrophobicContact CD2-CB 3.79Å; L614-L649 HydrophobicContact CD1-CD1 4.39Å; L614-L649 HydrophobicContact CD2-CB 4.41Å
615I97Very high95.5Very high25 Ų2520.3 Ų20.313%0.12811%0.106CC..Hα-helixtrans-58.4-50.7176.8-62.4175.4000109.5Y613 L617 V618 Q619 M785 M978Y613-I615 VanDerWaalsContact C-N 3.29Å; Y613-I615 PolarHBondContact O-N 3.5Å; I615-L617 PolarHBondContact O-N 2.94Å; I615-V618 PolarHBondContact O-N 3.13Å; I615-Q619 VanDerWaalsContact O-CG 3.31Å; I615-Q619 WeakPolarHBondContact O-CG 3.04Å; I615-Q619 PolarHBondContact O-N 2.89Å; I615-M785 HydrophobicContact CD1-CB 4.47Å; I615-M785 HydrophobicContact CD1-CE 4Å; I615-M978 HydrophobicContact CG2-CE 3.74Å; I615-M978 HydrophobicContact CG2-SD 3.72Å
616Q97.1Very high95.6Very high0 Ų021.2 Ų21.20%011%0.109CC..Hα-helixtrans-62.1-43.2-179.6-70.170.923.700111.4Y613 L614 V618 Q619 V620 Q789 L974 M977 M978Y613-Q616 PolarHBondContact O-N 3.33Å; Y613-Q616 VanDerWaalsContact O-N 3.1Å; Y613-Q616 PolarHBondContact O-OE1 3.14Å; L614-Q616 PolarHBondContact O-N 2.94Å; Q616-V618 VanDerWaalsContact C-N 3.33Å; Q616-V618 PolarHBondContact O-N 3.45Å; Q616-Q619 WeakPolarHBondContact O-CB 3.5Å; Q616-Q619 PolarHBondContact O-N 3.05Å; Q616-Q619 VanDerWaalsContact O-N 3.09Å; Q616-V620 WeakPolarHBondContact O-CG2 3.37Å; Q616-V620 PolarHBondContact O-N 3.22Å; Q616-Q789 VanDerWaalsContact CD-NE2 3.31Å; Q616-Q789 VanDerWaalsContact NE2-NE2 3.13Å; Q616-L974 HydrophobicContact CB-CD2 4.38Å; Q616-L974 HydrophobicContact CG-CB 4.2Å; Q616-L974 HydrophobicContact CG-CD2 3.79Å; Q616-L974 WeakPolarHBondContact CG-O 3.38Å; Q616-M977 HydrophobicContact CB-CB 3.95Å; Q616-M977 HydrophobicContact CB-CE 3.71Å; Q616-M977 HydrophobicContact CB-SD 3.9Å; Q616-M977 HydrophobicContact CG-CB 4.12Å; Q616-M977 HydrophobicContact CG-SD 4.47Å; Q616-M978 HydrophobicContact CG-CG 3.94Å; Q616-M978 HydrophobicContact CG-SD 3.93Å
617L97.9Very high95.8Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-62.7-38.3178.4-65.8172.8000112.4L582 L585 L602 L610 Y613 L614 I615 Q619 V620 L631 L635 M977L582-L617 HydrophobicContact CD2-CD2 3.92Å; L585-L617 HydrophobicContact CD1-CD2 3.41Å; L585-L617 VanDerWaalsContact CD1-CD2 3.41Å; L602-L617 HydrophobicContact CD1-CD2 4.09Å; L610-L617 HydrophobicContact CD1-CD1 3.18Å; Y613-L617 WeakPolarHBondContact O-CG 3.34Å; Y613-L617 PolarHBondContact O-N 3.45Å; Y613-L617 VanDerWaalsContact O-N 3.09Å; L614-L617 PolarHBondContact O-N 3.03Å; I615-L617 PolarHBondContact O-N 2.94Å; L617-Q619 VanDerWaalsContact C-N 3.34Å; L617-V620 VanDerWaalsContact O-CG2 3.27Å; L617-V620 WeakPolarHBondContact O-CG2 3.37Å; L617-L631 HydrophobicContact CD2-CD1 4.3Å; L617-L635 HydrophobicContact CB-CD1 4.4Å; L617-L635 HydrophobicContact CB-CD2 4.08Å; L617-L635 HydrophobicContact CD1-CD2 4.17Å; L617-M977 HydrophobicContact CD2-CE 4.1Å
618V98.3Very high95.9Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-66-38.6172.3171.90000111.2L614 I615 Q616 L621 L649 H652 L653 F666L614-V618 WeakPolarHBondContact O-CG2 3.44Å; L614-V618 PolarHBondContact O-N 3.1Å; I615-V618 PolarHBondContact O-N 3.13Å; Q616-V618 VanDerWaalsContact C-N 3.33Å; Q616-V618 PolarHBondContact O-N 3.45Å; V618-L621 WeakPolarHBondContact O-CB 3.31Å; V618-L621 PolarHBondContact O-N 3.36Å; V618-L649 HydrophobicContact CG2-CD1 3.57Å; V618-H652 HydrophobicContact CB-CB 4.4Å; V618-H652 HydrophobicContact CG1-CB 4.16Å; V618-H652 HydrophobicContact CG2-CB 4.1Å; V618-L653 HydrophobicContact CG1-CD2 3.87Å; V618-L653 HydrophobicContact CG1-CG 4.4Å; V618-F666 HydrophobicContact CG1-CE2 4.27Å; V618-F666 HydrophobicContact CG1-CZ 3.98Å
619Q96.8Very high96.1Very high8 Ų816.3 Ų16.34%0.0378%0.08CC..Hα-helixtrans-66.2-40.9179.2-66.4-44.1-5700112.9I615 Q616 L617 L621 K622 E656 M978 A980 A981I615-Q619 VanDerWaalsContact O-CG 3.31Å; I615-Q619 WeakPolarHBondContact O-CG 3.04Å; I615-Q619 PolarHBondContact O-N 2.89Å; Q616-Q619 WeakPolarHBondContact O-CB 3.5Å; Q616-Q619 PolarHBondContact O-N 3.05Å; Q616-Q619 VanDerWaalsContact O-N 3.09Å; L617-Q619 VanDerWaalsContact C-N 3.34Å; Q619-L621 PolarHBondContact O-N 2.85Å; Q619-K622 WeakPolarHBondContact O-CB 3.46Å; Q619-K622 WeakPolarHBondContact O-CG 3.48Å; Q619-K622 PolarHBondContact O-N 2.71Å; Q619-K622 VanDerWaalsContact O-N 3.1Å; Q619-E656 PolarHBondContact NE2-OE1 3.29Å; Q619-E656 PolarHBondContact OE1-OE1 3.47Å; Q619-M978 HydrophobicContact CB-SD 4.31Å; Q619-M978 HydrophobicContact CG-CE 3.88Å; Q619-M978 HydrophobicContact CG-SD 3.54Å; Q619-M978 VanDerWaalsContact CG-SD 3.54Å; Q619-A980 HydrophobicContact CB-CB 4.15Å; Q619-A980 WeakPolarHBondContact O-CB 3.3Å; Q619-A981 HydrophobicContact CG-CB 4.09Å
620V96.5Very high96.3Very high0 Ų016.6 Ų16.60%08%0.083CC..Hα-helixtrans-72.9-13.2-178.9-64.20000113.9L585 Q616 L617 K622 Y623 L631 M977L585-V620 HydrophobicContact CB-CB 4.35Å; L585-V620 HydrophobicContact CB-CG1 4.37Å; L585-V620 HydrophobicContact CB-CG2 4.08Å; L585-V620 HydrophobicContact CD1-CG2 4.06Å; Q616-V620 WeakPolarHBondContact O-CG2 3.37Å; Q616-V620 PolarHBondContact O-N 3.22Å; L617-V620 VanDerWaalsContact O-CG2 3.27Å; L617-V620 WeakPolarHBondContact O-CG2 3.37Å; V620-K622 PolarHBondContact O-N 3.14Å; V620-Y623 HydrophobicContact CB-CD2 4.13Å; V620-Y623 HydrophobicContact CG1-CD2 4.05Å; V620-Y623 HydrophobicContact CG1-CE2 4.15Å; V620-Y623 WeakPolarHBondContact O-CB 3.44Å; V620-Y623 PolarHBondContact O-N 3.42Å; V620-L631 HydrophobicContact CG2-CD2 3.66Å; V620-M977 HydrophobicContact CB-CE 4.34Å; V620-M977 HydrophobicContact CG1-CB 3.74Å; V620-M977 HydrophobicContact CG1-CE 3.56Å; V620-M977 HydrophobicContact CG1-CG 3.8Å; V620-M977 HydrophobicContact CG2-CE 3.78Å
621L97.6Very high96.5Very high2 Ų216.7 Ų16.71%0.018%0.084CC..THydrogen-bonded Turntrans-56.3-21.8165.9-72.2170.9000112.5V618 Q619 Y623 E624 L631 T632 L635 L653 R665 F666 I669V618-L621 WeakPolarHBondContact O-CB 3.31Å; V618-L621 PolarHBondContact O-N 3.36Å; Q619-L621 PolarHBondContact O-N 2.85Å; L621-Y623 VanDerWaalsContact C-N 3.27Å; L621-E624 WeakPolarHBondContact O-CB 3.39Å; L621-E624 PolarHBondContact O-N 3.42Å; L621-L631 HydrophobicContact CD2-CB 4.23Å; L621-L631 HydrophobicContact CD2-CD2 3.74Å; L621-L631 HydrophobicContact CD2-CG 3.75Å; L621-L631 HydrophobicContact CG-CD2 4.04Å; L621-L631 HydrophobicContact CG-CG 4.39Å; L621-T632 WeakPolarHBondContact CD2-OG1 3.2Å; L621-L635 HydrophobicContact CD1-CD1 3.89Å; L621-L635 HydrophobicContact CD2-CD1 4.32Å; L621-L635 HydrophobicContact CG-CD1 4.16Å; L621-L653 HydrophobicContact CD1-CD2 4.34Å; L621-R665 WeakPolarHBondContact O-CD 3.44Å; L621-R665 PolarHBondContact O-NE 3.09Å; L621-F666 HydrophobicContact CB-CE1 4.11Å; L621-F666 HydrophobicContact CD1-CE1 4.28Å; L621-I669 HydrophobicContact CD1-CD1 3.98Å
622K96.1Very high96.6Very high34 Ų3414.9 Ų14.915%0.1487%0.074CC..THydrogen-bonded Turntrans-71.8-21.5176.1-58.1179.8174.3171.50112.9Q619 V620 E656 V662 F666 A980Q619-K622 WeakPolarHBondContact O-CB 3.46Å; Q619-K622 WeakPolarHBondContact O-CG 3.48Å; Q619-K622 PolarHBondContact O-N 2.71Å; Q619-K622 VanDerWaalsContact O-N 3.1Å; V620-K622 PolarHBondContact O-N 3.14Å; K622-E656 VanDerWaalsContact NZ-CD 3.34Å; K622-E656 IonicContact NZ-OE1 3.05Å; K622-E656 PolarHBondContact NZ-OE1 3.02Å; K622-E656 IonicContact NZ-OE2 3.83Å; K622-E656 PolarHBondContact NZ-OE2 3.5Å; K622-V662 HydrophobicContact CB-CG1 4.48Å; K622-V662 HydrophobicContact CD-CG1 3.99Å; K622-V662 HydrophobicContact CG-CG1 3.7Å; K622-F666 HydrophobicContact CG-CZ 4.24Å; K622-A980 HydrophobicContact CB-CB 4.3Å; K622-A980 HydrophobicContact CD-CB 4.17Å; K622-A980 WeakPolarHBondContact CD-O 3.33Å; K622-A980 PolarHBondContact NZ-O 2.94Å; K622-A980 VanDerWaalsContact NZ-O 3.16Å
623Y94.9Very high96.8Very high15 Ų1515.6 Ų15.66%0.0598%0.08CC..THydrogen-bonded Turntrans-86.3-16.9175.5-59.9-35.3000112.9M458 Y587 V620 L621 A980M458-Y623 HydrophobicContact CE-CE1 4.07Å; M458-Y623 WeakPolarHBondContact CE-OH 3.4Å; Y587-Y623 AromaticContact CD2-CD1 3.8Å; Y587-Y623 HydrophobicContact CD2-CD1 3.8Å; Y587-Y623 HydrophobicContact CD2-CE1 4.36Å; Y587-Y623 HydrophobicContact CD2-CG 4.16Å; Y587-Y623 HydrophobicContact CG-CD1 4.2Å; Y587-Y623 HydrophobicContact CG-CE1 4.4Å; Y587-Y623 HydrophobicContact CG-CG 4.47Å; V620-Y623 HydrophobicContact CB-CD2 4.13Å; V620-Y623 HydrophobicContact CG1-CD2 4.05Å; V620-Y623 HydrophobicContact CG1-CE2 4.15Å; V620-Y623 WeakPolarHBondContact O-CB 3.44Å; V620-Y623 PolarHBondContact O-N 3.42Å; L621-Y623 VanDerWaalsContact C-N 3.27Å; Y623-A980 HydrophobicContact CD1-CB 4.43Å; Y623-A980 HydrophobicContact CE1-CB 3.76Å; Y623-A980 HydrophobicContact CE2-CB 4.03Å; Y623-A980 PolarHBondContact OH-N 3.48Å
624E96.2Very high96.9Very high18 Ų1815.3 Ų15.38%0.0848%0.079CC..  trans-65.5134.1177.6-62.8-62.1152.900110.7R595 L621 R665R595-E624 WeakPolarHBondContact CD-OE1 3.46Å; R595-E624 IonicContact CZ-OE1 3.33Å; R595-E624 IonicContact NE-OE1 3.43Å; R595-E624 IonicContact NH1-OE1 2.67Å; R595-E624 PolarHBondContact NH1-OE1 2.9Å; L621-E624 WeakPolarHBondContact O-CB 3.39Å; L621-E624 PolarHBondContact O-N 3.42Å; E624-R665 PolarHBondContact O-NH2 3.03Å
625S94.5Very high96.9Very high5 Ų515.4 Ų15.44%0.0358%0.079CC..SBendtrans-82.7-36.3-173.1-60.50000112.7M389 R391 V461M389-S625 WeakPolarHBondContact CE-OG 3.48Å; R391-S625 PolarHBondContact NH2-OG 3.47Å; V461-S625 WeakPolarHBondContact CG2-O 3.12Å
626Y96.7Very high97Very high28 Ų2814.2 Ų14.211%0.117%0.073CC..SBendtrans-113.8156.4-178.2-55.3-64.3000111.2E135 R388 M389 M426 F428 D429 R665E135-Y626 VanDerWaalsContact OE1-CA 3.23Å; E135-Y626 WeakPolarHBondContact OE1-CA 3.43Å; E135-Y626 WeakPolarHBondContact OE1-CB 3.46Å; R388-Y626 PolarHBondContact NH1-OH 2.86Å; M389-Y626 HydrophobicContact CE-CE2 4.15Å; M389-Y626 HydrophobicContact SD-CE2 4.2Å; M426-Y626 HydrophobicContact CB-CE1 4.48Å; M426-Y626 HydrophobicContact CG-CE1 4.25Å; F428-Y626 PolarHBondContact O-OH 3.46Å; D429-Y626 VanDerWaalsContact C-CE1 3.42Å; D429-Y626 VanDerWaalsContact O-CZ 3.27Å; D429-Y626 PolarHBondContact O-OH 2.73Å; D429-Y626 VanDerWaalsContact O-OH 3.08Å; Y626-R665 VanDerWaalsContact C-NH2 3.29Å; Y626-R665 VanDerWaalsContact O-CZ 3.23Å; Y626-R665 PolarHBondContact O-NH1 3.33Å; Y626-R665 PolarHBondContact O-NH2 2.95Å
627L96.6Very high97Very high1 Ų117 Ų171%0.0059%0.087CC..SBendtrans-64.2-49.3-178.8-67.3174.8000111.5E135 V136 F139 R665 L668E135-L627 HydrophobicContact CG-CB 4.38Å; E135-L627 HydrophobicContact CG-CD1 4.08Å; E135-L627 HydrophobicContact CG-CG 4.33Å; E135-L627 PolarHBondContact OE1-N 2.96Å; V136-L627 HydrophobicContact CB-CD1 4.44Å; V136-L627 HydrophobicContact CG2-CD1 3.75Å; F139-L627 HydrophobicContact CB-CB 4.14Å; F139-L627 HydrophobicContact CB-CD1 4.42Å; F139-L627 VanDerWaalsContact CD2-C 3.48Å; F139-L627 HydrophobicContact CD2-CB 3.68Å; F139-L627 HydrophobicContact CE2-CB 4.25Å; F139-L627 WeakPolarHBondContact CE2-O 3.41Å; F139-L627 HydrophobicContact CG-CB 3.93Å; L627-R665 HydrophobicContact CD2-CB 3.97Å; L627-R665 HydrophobicContact CD2-CG 4.18Å; L627-R665 PolarHBondContact O-NH1 3.43Å; L627-L668 HydrophobicContact CD1-CD1 3.65Å; L627-L668 HydrophobicContact CD2-CD1 4.11Å; L627-L668 HydrophobicContact CG-CD1 4.48Å
628D96.1Very high97Very high59 Ų5918.3 Ų18.332%0.3169%0.092SC..SBendtrans-82111.9176-172.115.7000109.9F139 K142F139-D628 HydrophobicContact CD2-CB 4.02Å; K142-D628 VanDerWaalsContact CD-OD2 3.25Å; K142-D628 WeakPolarHBondContact CD-OD2 3.49Å; K142-D628 WeakPolarHBondContact CE-OD2 3.43Å; K142-D628 IonicContact NZ-OD1 2.77Å; K142-D628 PolarHBondContact NZ-OD1 3.18Å; K142-D628 IonicContact NZ-OD2 3.1Å; K142-D628 PolarHBondContact NZ-OD2 3.03Å
629C96.1Very high97Very high19 Ų1918.3 Ų18.313%0.1289%0.092CC..  trans-149.5160.9178.467.70000111.4L631 T632 T633C629-L631 VanDerWaalsContact C-N 3.27Å; C629-L631 PolarHBondContact O-N 2.68Å; C629-T632 PolarHBondContact O-N 3.32Å; C629-T632 PolarHBondContact SG-OG1 3.46Å; C629-T633 PolarHBondContact O-N 3.31Å; C629-T633 VanDerWaalsContact O-N 3.09Å; C629-T633 PolarHBondContact O-OG1 3.02Å
630D96.7Very high97Very high64 Ų6418.1 Ų18.134%0.3429%0.091SC..Hα-helixtrans-58.5-38.7-177.5-67.1-59000112.4I599 T633 F634I599-D630 HydrophobicContact CB-CB 4.12Å; I599-D630 HydrophobicContact CG1-CB 3.66Å; I599-D630 HydrophobicContact CG2-CB 4.31Å; D630-T633 PolarHBondContact O-N 3.14Å; D630-F634 VanDerWaalsContact O-CB 3.25Å; D630-F634 WeakPolarHBondContact O-CB 3.46Å; D630-F634 PolarHBondContact O-N 3.38Å
631L97.9Very high96.9Very high2 Ų221.3 Ų21.31%0.0111%0.113CC..Hα-helixtrans-65.2-43.5179-179.860.4000111.9L585 I599 L617 V620 L621 C629 F634 L635L585-L631 HydrophobicContact CD1-CD1 4.46Å; I599-L631 HydrophobicContact CD1-CB 4.01Å; I599-L631 HydrophobicContact CD1-CD1 3.79Å; I599-L631 HydrophobicContact CD1-CG 4.49Å; L617-L631 HydrophobicContact CD2-CD1 4.3Å; V620-L631 HydrophobicContact CG2-CD2 3.66Å; L621-L631 HydrophobicContact CD2-CB 4.23Å; L621-L631 HydrophobicContact CD2-CD2 3.74Å; L621-L631 HydrophobicContact CD2-CG 3.75Å; L621-L631 HydrophobicContact CG-CD2 4.04Å; L621-L631 HydrophobicContact CG-CG 4.39Å; C629-L631 VanDerWaalsContact C-N 3.27Å; C629-L631 PolarHBondContact O-N 2.68Å; L631-F634 HydrophobicContact CD1-CD1 4.34Å; L631-F634 PolarHBondContact O-N 2.7Å; L631-L635 HydrophobicContact CD1-CD1 4.01Å; L631-L635 HydrophobicContact CD1-CG 4.04Å; L631-L635 HydrophobicContact CG-CD1 4.08Å; L631-L635 HydrophobicContact CG-CG 4.48Å; L631-L635 WeakPolarHBondContact O-CB 3.29Å; L631-L635 VanDerWaalsContact O-CG 3.3Å; L631-L635 WeakPolarHBondContact O-CG 3.46Å; L631-L635 PolarHBondContact O-N 3.05Å
632T98.3Very high96.9Very high1 Ų121.4 Ų21.41%0.00611%0.114CC..Hα-helixtrans-61.7-46.2176.8-64.20000110.7F139 L621 C629 L635 L636 I669F139-T632 HydrophobicContact CE2-CG2 3.98Å; F139-T632 HydrophobicContact CZ-CG2 3.96Å; L621-T632 WeakPolarHBondContact CD2-OG1 3.2Å; C629-T632 PolarHBondContact O-N 3.32Å; C629-T632 PolarHBondContact SG-OG1 3.46Å; T632-L635 PolarHBondContact O-N 2.88Å; T632-L636 HydrophobicContact CG2-CD1 4Å; T632-L636 WeakPolarHBondContact O-CB 3.49Å; T632-L636 WeakPolarHBondContact O-CG 3.29Å; T632-L636 PolarHBondContact O-N 3.22Å; T632-I669 HydrophobicContact CG2-CD1 3.9Å; T632-I669 HydrophobicContact CG2-CG1 3.78Å
633T97.8Very high96.8Very high36 Ų3620.4 Ų20.422%0.22111%0.109CC..Hα-helixtrans-62.3-46.3179-56.60000111F146 C629 D630 L636 E637F146-T633 HydrophobicContact CZ-CG2 4.3Å; C629-T633 PolarHBondContact O-N 3.31Å; C629-T633 VanDerWaalsContact O-N 3.09Å; C629-T633 PolarHBondContact O-OG1 3.02Å; D630-T633 PolarHBondContact O-N 3.14Å; T633-L636 PolarHBondContact O-N 3.25Å; T633-E637 VanDerWaalsContact O-CB 3.31Å; T633-E637 WeakPolarHBondContact O-CB 3.43Å; T633-E637 PolarHBondContact O-N 2.91Å
634F98.4Very high96.9Very high3 Ų321 Ų211%0.01311%0.111CC..Hα-helixtrans-58.7-48.2176.3169-109.1000112.3I599 L602 K603 L610 D630 L631 L636 E637 R638I599-F634 HydrophobicContact CG2-CB 3.77Å; I599-F634 HydrophobicContact CG2-CD2 4.33Å; I599-F634 HydrophobicContact CG2-CG 4.06Å; L602-F634 HydrophobicContact CB-CE1 4.33Å; L602-F634 HydrophobicContact CB-CZ 4.17Å; K603-F634 HydrophobicContact CG-CD2 4.03Å; K603-F634 HydrophobicContact CG-CE2 4.07Å; L610-F634 HydrophobicContact CD1-CE1 4.03Å; L610-F634 HydrophobicContact CD1-CZ 4.26Å; L610-F634 HydrophobicContact CD2-CZ 4.26Å; D630-F634 VanDerWaalsContact O-CB 3.25Å; D630-F634 WeakPolarHBondContact O-CB 3.46Å; D630-F634 PolarHBondContact O-N 3.38Å; L631-F634 HydrophobicContact CD1-CD1 4.34Å; L631-F634 PolarHBondContact O-N 2.7Å; F634-L636 PolarHBondContact O-N 3.46Å; F634-E637 PolarHBondContact O-N 2.89Å; F634-R638 HydrophobicContact CD2-CG 3.98Å; F634-R638 HydrophobicContact CE2-CG 3.66Å; F634-R638 HydrophobicContact CZ-CG 3.97Å; F634-R638 VanDerWaalsContact O-CG 3.22Å; F634-R638 WeakPolarHBondContact O-CG 3.11Å; F634-R638 PolarHBondContact O-N 3.28Å
635L98.6Very high97Very high3 Ų320.2 Ų20.22%0.01611%0.107CC..Hα-helixtrans-64.9-40.9-179.7-70.5175.5000112L614 L617 L621 L631 T632 A639 L649L614-L635 HydrophobicContact CD1-CD2 3.98Å; L617-L635 HydrophobicContact CB-CD1 4.4Å; L617-L635 HydrophobicContact CB-CD2 4.08Å; L617-L635 HydrophobicContact CD1-CD2 4.17Å; L621-L635 HydrophobicContact CD1-CD1 3.89Å; L621-L635 HydrophobicContact CD2-CD1 4.32Å; L621-L635 HydrophobicContact CG-CD1 4.16Å; L631-L635 HydrophobicContact CD1-CD1 4.01Å; L631-L635 HydrophobicContact CD1-CG 4.04Å; L631-L635 HydrophobicContact CG-CD1 4.08Å; L631-L635 HydrophobicContact CG-CG 4.48Å; L631-L635 WeakPolarHBondContact O-CB 3.29Å; L631-L635 VanDerWaalsContact O-CG 3.3Å; L631-L635 WeakPolarHBondContact O-CG 3.46Å; L631-L635 PolarHBondContact O-N 3.05Å; T632-L635 PolarHBondContact O-N 2.88Å; L635-A639 WeakPolarHBondContact O-CB 3.09Å; L635-A639 PolarHBondContact O-N 2.65Å; L635-L649 HydrophobicContact CB-CD2 4.37Å
636L98.3Very high97.2Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-64.7-44.1174.7-77.3171.7000111.7M143 F146 T632 T633 F634 R638 A639 L640 I669 A672M143-L636 HydrophobicContact SD-CD1 3.78Å; F146-L636 HydrophobicContact CE1-CB 4.14Å; T632-L636 HydrophobicContact CG2-CD1 4Å; T632-L636 WeakPolarHBondContact O-CB 3.49Å; T632-L636 WeakPolarHBondContact O-CG 3.29Å; T632-L636 PolarHBondContact O-N 3.22Å; T633-L636 PolarHBondContact O-N 3.25Å; F634-L636 PolarHBondContact O-N 3.46Å; L636-R638 PolarHBondContact O-N 3.48Å; L636-A639 PolarHBondContact O-N 3.25Å; L636-L640 WeakPolarHBondContact O-CB 3.37Å; L636-L640 VanDerWaalsContact O-CG 3.23Å; L636-L640 WeakPolarHBondContact O-CG 3.49Å; L636-L640 PolarHBondContact O-N 3.42Å; L636-I669 HydrophobicContact CD2-CG2 3.98Å; L636-I669 HydrophobicContact CG-CG2 4.26Å; L636-A672 HydrophobicContact CD1-CB 4.11Å; L636-A672 HydrophobicContact CD2-CB 4.41Å
637E97.5Very high97.3Very high60 Ų6018.6 Ų18.628%0.2810%0.1SC..Hα-helixtrans-56.5-48.9176.6-172.5176.3-165.100111.3F146 T633 F634 L640 S641F146-E637 HydrophobicContact CZ-CB 3.98Å; F146-E637 HydrophobicContact CZ-CG 4.39Å; T633-E637 VanDerWaalsContact O-CB 3.31Å; T633-E637 WeakPolarHBondContact O-CB 3.43Å; T633-E637 PolarHBondContact O-N 2.91Å; F634-E637 PolarHBondContact O-N 2.89Å; E637-L640 PolarHBondContact O-N 2.8Å; E637-S641 WeakPolarHBondContact O-CB 3.22Å; E637-S641 PolarHBondContact O-N 2.89Å; E637-S641 VanDerWaalsContact O-N 3.08Å; E637-S641 PolarHBondContact O-OG 3.17Å
638R97.7Very high97.4Very high27 Ų2720.1 Ų20.110%0.10211%0.107CC..Hα-helixtrans-66.9-41.3179.3-62.9-65.9-67.8-91.67112.1L605 S606 D607 L610 F634 L636 L640 S641 N642 I645L605-R638 PolarHBondContact O-NH1 3.16Å; L605-R638 PolarHBondContact O-NH2 3.25Å; S606-R638 PolarHBondContact O-NH2 3.11Å; D607-R638 IonicContact OD1-CZ 3.73Å; D607-R638 IonicContact OD1-NE 2.87Å; D607-R638 PolarHBondContact OD1-NE 2.92Å; D607-R638 IonicContact OD1-NH2 3.59Å; D607-R638 PolarHBondContact OD1-NH2 3.42Å; L610-R638 HydrophobicContact CD2-CB 3.55Å; L610-R638 HydrophobicContact CD2-CG 3.58Å; F634-R638 HydrophobicContact CD2-CG 3.98Å; F634-R638 HydrophobicContact CE2-CG 3.66Å; F634-R638 HydrophobicContact CZ-CG 3.97Å; F634-R638 VanDerWaalsContact O-CG 3.22Å; F634-R638 WeakPolarHBondContact O-CG 3.11Å; F634-R638 PolarHBondContact O-N 3.28Å; L636-R638 PolarHBondContact O-N 3.48Å; R638-L640 VanDerWaalsContact C-N 3.32Å; R638-L640 PolarHBondContact O-N 2.8Å; R638-S641 PolarHBondContact O-N 2.86Å; R638-N642 PolarHBondContact O-N 2.63Å; R638-I645 HydrophobicContact CB-CG2 4.43Å
639A97.9Very high97.5Very high0 Ų017.4 Ų17.40%09%0.092CC..Hα-helixtrans-65.7-30.8176.800000114.1L635 L636 N642 I645 L649 Y673L635-A639 WeakPolarHBondContact O-CB 3.09Å; L635-A639 PolarHBondContact O-N 2.65Å; L636-A639 PolarHBondContact O-N 3.25Å; A639-N642 VanDerWaalsContact O-O 3.12Å; A639-I645 HydrophobicContact CB-CG2 4.3Å; A639-L649 HydrophobicContact CB-CB 4.46Å; A639-L649 HydrophobicContact CB-CD2 3.48Å; A639-L649 VanDerWaalsContact CB-CD2 3.48Å; A639-Y673 HydrophobicContact CB-CD2 4.06Å; A639-Y673 HydrophobicContact CB-CE2 3.98Å
640L96Very high97.6Very high3 Ų316.6 Ų16.62%0.0169%0.086CC..Hα-helixtrans-84.4-16.7176.4-68171.2000113.1F146 C147 K150 R154 Y165 L636 E637 R638 Y673 N677F146-L640 HydrophobicContact CE1-CD1 4.41Å; C147-L640 HydrophobicContact CB-CD1 4.07Å; K150-L640 HydrophobicContact CB-CB 4.44Å; K150-L640 HydrophobicContact CB-CD1 4.05Å; K150-L640 HydrophobicContact CG-CD1 4.44Å; R154-L640 PolarHBondContact NH1-O 3.33Å; Y165-L640 WeakPolarHBondContact CD2-O 3.3Å; Y165-L640 WeakPolarHBondContact CE2-O 3.49Å; L636-L640 WeakPolarHBondContact O-CB 3.37Å; L636-L640 VanDerWaalsContact O-CG 3.23Å; L636-L640 WeakPolarHBondContact O-CG 3.49Å; L636-L640 PolarHBondContact O-N 3.42Å; E637-L640 PolarHBondContact O-N 2.8Å; R638-L640 VanDerWaalsContact C-N 3.32Å; R638-L640 PolarHBondContact O-N 2.8Å; L640-Y673 HydrophobicContact CD2-CD2 4.28Å; L640-Y673 HydrophobicContact CD2-CE2 4.49Å; L640-N677 HydrophobicContact CD2-CB 4.28Å
641S95.5Very high97.7Very high67 Ų6713.5 Ų13.547%0.4697%0.07SC..Hα-helixtrans-97.5-15.7177.6-53.60000113.4Y165 E637 R638Y165-S641 WeakPolarHBondContact CD2-O 3.4Å; E637-S641 WeakPolarHBondContact O-CB 3.22Å; E637-S641 PolarHBondContact O-N 2.89Å; E637-S641 VanDerWaalsContact O-N 3.08Å; E637-S641 PolarHBondContact O-OG 3.17Å; R638-S641 PolarHBondContact O-N 2.86Å
642N96.7Very high97.8Very high5 Ų514.2 Ų14.23%0.0277%0.073CC..  trans-141.8114.8175.5-179.4-50.3000110.2P168 D607 R638 A639 R644 I645 G646P168-N642 WeakPolarHBondContact CB-ND2 3.24Å; P168-N642 WeakPolarHBondContact CG-OD1 3.32Å; D607-N642 PolarHBondContact OD2-ND2 3.06Å; R638-N642 PolarHBondContact O-N 2.63Å; A639-N642 VanDerWaalsContact O-O 3.12Å; N642-R644 VanDerWaalsContact C-N 3.28Å; N642-R644 PolarHBondContact O-N 2.94Å; N642-R644 WeakPolarHBondContact OD1-CB 3.34Å; N642-R644 PolarHBondContact OD1-N 3.47Å; N642-I645 HydrophobicContact CB-CB 4.21Å; N642-I645 HydrophobicContact CB-CD1 3.89Å; N642-I645 HydrophobicContact CB-CG1 4.1Å; N642-I645 PolarHBondContact O-N 2.85Å; N642-I645 PolarHBondContact OD1-N 2.72Å; N642-I645 VanDerWaalsContact OD1-N 3.09Å; N642-G646 PolarHBondContact O-N 2.74Å
643R95.5Very high97.8Very high12 Ų1214.2 Ų14.25%0.0457%0.073CC..Hα-helixtrans-64.6-31.2-174.2-176.5172.1168.9-149.4-21.8113.4Y165 G646 H647 H680Y165-R643 HydrophobicContact CE1-CB 4.47Å; Y165-R643 HydrophobicContact CE2-CB 4.12Å; Y165-R643 VanDerWaalsContact O-CB 3.25Å; Y165-R643 WeakPolarHBondContact O-CB 3.36Å; Y165-R643 PolarHBondContact O-N 2.83Å; R643-G646 PolarHBondContact O-N 3.28Å; R643-H647 WeakPolarHBondContact O-CB 3.48Å; R643-H647 PolarHBondContact O-N 2.79Å; R643-H680 PolarHBondContact NE-CD2 3.23Å; R643-H680 PolarHBondContact NE-NE2 3.46Å
644R96.8Very high97.7Very high29 Ų2913.7 Ų13.711%0.1097%0.068CC..Hα-helixtrans-67.9-42.1177.5-172.4179.4-172167.416111.2P168 E170 L611 N642 G646 H647 F648P168-R644 HydrophobicContact CG-CB 3.67Å; E170-R644 VanDerWaalsContact CD-CZ 3.5Å; E170-R644 VanDerWaalsContact CD-NH2 3.35Å; E170-R644 IonicContact OE1-CZ 2.8Å; E170-R644 IonicContact OE1-NH1 2.67Å; E170-R644 IonicContact OE1-NH2 3.49Å; E170-R644 PolarHBondContact OE1-NH2 2.67Å; E170-R644 IonicContact OE2-CZ 3.65Å; E170-R644 IonicContact OE2-NH1 3.38Å; E170-R644 PolarHBondContact OE2-NH1 2.93Å; E170-R644 IonicContact OE2-NH2 3.62Å; E170-R644 PolarHBondContact OE2-NH2 3.14Å; L611-R644 HydrophobicContact CD1-CG 4.1Å; L611-R644 HydrophobicContact CD2-CG 4.47Å; N642-R644 VanDerWaalsContact C-N 3.28Å; N642-R644 PolarHBondContact O-N 2.94Å; N642-R644 WeakPolarHBondContact OD1-CB 3.34Å; N642-R644 PolarHBondContact OD1-N 3.47Å; R644-G646 VanDerWaalsContact C-N 3.34Å; R644-H647 PolarHBondContact O-N 3.47Å; R644-F648 HydrophobicContact CG-CD2 4.13Å; R644-F648 HydrophobicContact CG-CE2 3.9Å; R644-F648 VanDerWaalsContact O-CD2 3.28Å; R644-F648 WeakPolarHBondContact O-CD2 2.98Å; R644-F648 PolarHBondContact O-N 3.5Å
645I98.4Very high97.6Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-60.5-47.3171.9-66.3175.9000109.9D607 L610 L611 L614 R638 A639 N642 H647 F648 L649D607-I645 HydrophobicContact CB-CD1 3.91Å; L610-I645 HydrophobicContact CB-CD1 4.48Å; L610-I645 HydrophobicContact CD2-CD1 3.79Å; L610-I645 HydrophobicContact CD2-CG2 4.5Å; L610-I645 HydrophobicContact CG-CD1 4.26Å; L611-I645 HydrophobicContact CD1-CG1 4.3Å; L611-I645 HydrophobicContact CD2-CB 4.36Å; L611-I645 HydrophobicContact CD2-CG1 3.7Å; L611-I645 HydrophobicContact CG-CG1 3.71Å; L614-I645 HydrophobicContact CD2-CG2 4.45Å; R638-I645 HydrophobicContact CB-CG2 4.43Å; A639-I645 HydrophobicContact CB-CG2 4.3Å; N642-I645 HydrophobicContact CB-CB 4.21Å; N642-I645 HydrophobicContact CB-CD1 3.89Å; N642-I645 HydrophobicContact CB-CG1 4.1Å; N642-I645 PolarHBondContact O-N 2.85Å; N642-I645 PolarHBondContact OD1-N 2.72Å; N642-I645 VanDerWaalsContact OD1-N 3.09Å; I645-H647 VanDerWaalsContact C-N 3.32Å; I645-H647 PolarHBondContact O-N 2.77Å; I645-F648 PolarHBondContact O-N 2.67Å; I645-L649 VanDerWaalsContact O-CB 3.3Å; I645-L649 WeakPolarHBondContact O-CB 3.45Å; I645-L649 PolarHBondContact O-N 3.03Å
646G98.2Very high97.5Very high0 Ų013.9 Ų13.90%07%0.069CC..Hα-helixtrans-59.5-39.6178.200000114N642 R643 R644 F650 Y673N642-G646 PolarHBondContact O-N 2.74Å; R643-G646 PolarHBondContact O-N 3.28Å; R644-G646 VanDerWaalsContact C-N 3.34Å; G646-F650 WeakPolarHBondContact O-CB 3.41Å; G646-F650 PolarHBondContact O-N 2.79Å; G646-Y673 WeakPolarHBondContact CA-OH 3.23Å; G646-Y673 PolarHBondContact O-OH 3.16Å
647H98.4Very high97.3Very high0 Ų014.8 Ų14.80%07%0.074CC..Hα-helixtrans-58.5-51.2174.717784.2000112.4R643 R644 I645 F650 W651 Q687 P732 P735R643-H647 WeakPolarHBondContact O-CB 3.48Å; R643-H647 PolarHBondContact O-N 2.79Å; R644-H647 PolarHBondContact O-N 3.47Å; I645-H647 VanDerWaalsContact C-N 3.32Å; I645-H647 PolarHBondContact O-N 2.77Å; H647-F650 PolarHBondContact O-N 2.73Å; H647-W651 AromaticContact CD2-CD1 3.95Å; H647-W651 AromaticContact CE1-CD1 3.51Å; H647-W651 AromaticContact CE1-NE1 3.29Å; H647-W651 PolarHBondContact CE1-NE1 3.35Å; H647-W651 VanDerWaalsContact CE1-NE1 3.29Å; H647-W651 AromaticContact ND1-NE1 3.89Å; H647-W651 AromaticContact NE2-CD1 3.47Å; H647-W651 AromaticContact NE2-NE1 3.7Å; H647-W651 VanDerWaalsContact O-CD1 3.23Å; H647-W651 PolarHBondContact O-N 3.08Å; H647-Q687 PolarHBondContact CE1-OE1 3.19Å; H647-P732 PolarHBondContact NE2-O 2.89Å; H647-P735 HydrophobicContact CB-CG 4.32Å
648F98.6Very high97Very high33 Ų3316 Ų1615%0.1458%0.079CC..Hα-helixtrans-74.4-34.2-179.2-70.5-64.6000112.7L611 L614 R644 I645 F650 W651 H652L611-F648 HydrophobicContact CD2-CD2 3.93Å; L614-F648 HydrophobicContact CD2-CB 3.79Å; R644-F648 HydrophobicContact CG-CD2 4.13Å; R644-F648 HydrophobicContact CG-CE2 3.9Å; R644-F648 VanDerWaalsContact O-CD2 3.28Å; R644-F648 WeakPolarHBondContact O-CD2 2.98Å; R644-F648 PolarHBondContact O-N 3.5Å; I645-F648 PolarHBondContact O-N 2.67Å; F648-F650 VanDerWaalsContact C-N 3.31Å; F648-F650 PolarHBondContact O-N 3.37Å; F648-W651 PolarHBondContact O-N 3.36Å; F648-H652 WeakPolarHBondContact O-CB 3.16Å; F648-H652 PolarHBondContact O-CD2 3.3Å; F648-H652 PolarHBondContact O-N 3.29Å
649L98.8Very high96.8Very high2 Ų216.6 Ų16.61%0.019%0.086CC..Hα-helixtrans-58.1-46.6172.5179.964.4000110.4L614 V618 L635 A639 I645 W651 H652 L653L614-L649 HydrophobicContact CD1-CD1 4.39Å; L614-L649 HydrophobicContact CD2-CB 4.41Å; V618-L649 HydrophobicContact CG2-CD1 3.57Å; L635-L649 HydrophobicContact CB-CD2 4.37Å; A639-L649 HydrophobicContact CB-CB 4.46Å; A639-L649 HydrophobicContact CB-CD2 3.48Å; A639-L649 VanDerWaalsContact CB-CD2 3.48Å; I645-L649 VanDerWaalsContact O-CB 3.3Å; I645-L649 WeakPolarHBondContact O-CB 3.45Å; I645-L649 PolarHBondContact O-N 3.03Å; L649-W651 PolarHBondContact O-N 2.92Å; L649-H652 PolarHBondContact O-N 2.96Å; L649-L653 HydrophobicContact CD1-CD1 3.93Å; L649-L653 HydrophobicContact CD1-CG 4.2Å; L649-L653 HydrophobicContact CG-CD1 3.9Å; L649-L653 WeakPolarHBondContact O-CB 3.37Å; L649-L653 VanDerWaalsContact O-CG 3.29Å; L649-L653 WeakPolarHBondContact O-CG 3.4Å; L649-L653 PolarHBondContact O-N 2.98Å
650F98.6Very high96.6Very high1 Ų118.9 Ų18.90%0.00411%0.105CC..Hα-helixtrans-55-53.4175.1172.9-89.4000111.2L120 G646 H647 F648 H652 L653 K654 L670 Y673 L684L120-F650 HydrophobicContact CD1-CE1 4.46Å; L120-F650 HydrophobicContact CD1-CE2 4.3Å; L120-F650 HydrophobicContact CD1-CZ 3.65Å; L120-F650 HydrophobicContact CD2-CE2 3.77Å; L120-F650 HydrophobicContact CD2-CZ 3.96Å; L120-F650 HydrophobicContact CG-CE2 3.75Å; L120-F650 HydrophobicContact CG-CZ 3.58Å; G646-F650 WeakPolarHBondContact O-CB 3.41Å; G646-F650 PolarHBondContact O-N 2.79Å; H647-F650 PolarHBondContact O-N 2.73Å; F648-F650 VanDerWaalsContact C-N 3.31Å; F648-F650 PolarHBondContact O-N 3.37Å; F650-H652 PolarHBondContact O-N 3.39Å; F650-L653 PolarHBondContact O-N 3.45Å; F650-K654 HydrophobicContact CD1-CB 4.48Å; F650-K654 HydrophobicContact CE1-CB 4.13Å; F650-K654 HydrophobicContact CE1-CG 4.21Å; F650-K654 HydrophobicContact CZ-CB 4.26Å; F650-K654 HydrophobicContact CZ-CD 4.36Å; F650-K654 HydrophobicContact CZ-CG 4.17Å; F650-K654 WeakPolarHBondContact O-CB 3.49Å; F650-K654 PolarHBondContact O-N 3.44Å; F650-L670 HydrophobicContact CB-CD2 4.44Å; F650-L670 HydrophobicContact CD2-CD2 3.44Å; F650-L670 VanDerWaalsContact CD2-CD2 3.44Å; F650-L670 HydrophobicContact CE2-CD2 3.89Å; F650-L670 HydrophobicContact CG-CD2 4.15Å; F650-Y673 HydrophobicContact CB-CD1 4.4Å; F650-Y673 HydrophobicContact CB-CE1 4.08Å; F650-Y673 HydrophobicContact CD2-CD1 4.37Å; F650-Y673 HydrophobicContact CD2-CE1 4.47Å; F650-L684 HydrophobicContact CB-CD1 4.31Å; F650-L684 HydrophobicContact CD1-CD1 4Å; F650-L684 HydrophobicContact CD1-CD2 3.67Å; F650-L684 HydrophobicContact CD1-CG 4.34Å; F650-L684 HydrophobicContact CD2-CD1 3.7Å; F650-L684 HydrophobicContact CE1-CB 4.36Å; F650-L684 HydrophobicContact CE1-CD1 4.29Å; F650-L684 HydrophobicContact CE1-CD2 4Å; F650-L684 HydrophobicContact CE1-CG 4.45Å; F650-L684 HydrophobicContact CE2-CD1 4.01Å; F650-L684 HydrophobicContact CG-CD1 3.72Å; F650-L684 HydrophobicContact CG-CD2 4.15Å; F650-L684 HydrophobicContact CZ-CB 4.41Å; F650-L684 HydrophobicContact CZ-CD1 4.3Å
651W98.4Very high96.4Very high0 Ų020.5 Ų20.50%012%0.117CC..Hα-helixtrans-67.2-37.1-176.2-77112.6000113.4H647 F648 L649 K654 S655 Q687 L691 P732 L813 T815H647-W651 AromaticContact CD2-CD1 3.95Å; H647-W651 AromaticContact CE1-CD1 3.51Å; H647-W651 AromaticContact CE1-NE1 3.29Å; H647-W651 PolarHBondContact CE1-NE1 3.35Å; H647-W651 VanDerWaalsContact CE1-NE1 3.29Å; H647-W651 AromaticContact ND1-NE1 3.89Å; H647-W651 AromaticContact NE2-CD1 3.47Å; H647-W651 AromaticContact NE2-NE1 3.7Å; H647-W651 VanDerWaalsContact O-CD1 3.23Å; H647-W651 PolarHBondContact O-N 3.08Å; F648-W651 PolarHBondContact O-N 3.36Å; L649-W651 PolarHBondContact O-N 2.92Å; W651-K654 HydrophobicContact CE3-CB 4.49Å; W651-K654 HydrophobicContact CE3-CG 4.43Å; W651-K654 HydrophobicContact CZ3-CG 4.29Å; W651-K654 PolarHBondContact O-N 3.44Å; W651-S655 VanDerWaalsContact O-CB 3.25Å; W651-S655 WeakPolarHBondContact O-CB 3.3Å; W651-S655 PolarHBondContact O-N 3.47Å; W651-S655 PolarHBondContact O-OG 3.2Å; W651-Q687 HydrophobicContact CH2-CB 4.42Å; W651-Q687 HydrophobicContact CZ2-CB 3.75Å; W651-L691 HydrophobicContact CH2-CD1 3.31Å; W651-L691 HydrophobicContact CZ2-CD1 4.15Å; W651-L691 HydrophobicContact CZ3-CD1 3.57Å; W651-P732 HydrophobicContact CZ2-CB 4.42Å; W651-L813 HydrophobicContact CB-CD1 4Å; W651-L813 HydrophobicContact CB-CD2 3.99Å; W651-L813 HydrophobicContact CB-CG 4.37Å; W651-L813 HydrophobicContact CD2-CD2 4.37Å; W651-L813 HydrophobicContact CG-CD2 3.86Å; W651-T815 HydrophobicContact CD2-CG2 4.42Å; W651-T815 HydrophobicContact CE3-CG2 3.84Å; W651-T815 HydrophobicContact CZ3-CG2 4.05Å
652H98.6Very high96.4Very high17 Ų1717.7 Ų17.78%0.07910%0.097CC..Hα-helixtrans-63.5-46.4176-64.6-28.1000111.5V618 F648 L649 F650 S655V618-H652 HydrophobicContact CB-CB 4.4Å; V618-H652 HydrophobicContact CG1-CB 4.16Å; V618-H652 HydrophobicContact CG2-CB 4.1Å; F648-H652 WeakPolarHBondContact O-CB 3.16Å; F648-H652 PolarHBondContact O-CD2 3.3Å; F648-H652 PolarHBondContact O-N 3.29Å; L649-H652 PolarHBondContact O-N 2.96Å; F650-H652 PolarHBondContact O-N 3.39Å; H652-S655 PolarHBondContact O-OG 3.19Å
653L98.4Very high96.3Very high0 Ų018.4 Ų18.40%010%0.102CC..Hα-helixtrans-65.1-47.3175.1-66.2169.5000111.8V618 L621 L649 F650 S655 E656 I657 F666 I669 L670V618-L653 HydrophobicContact CG1-CD2 3.87Å; V618-L653 HydrophobicContact CG1-CG 4.4Å; L621-L653 HydrophobicContact CD1-CD2 4.34Å; L649-L653 HydrophobicContact CD1-CD1 3.93Å; L649-L653 HydrophobicContact CD1-CG 4.2Å; L649-L653 HydrophobicContact CG-CD1 3.9Å; L649-L653 WeakPolarHBondContact O-CB 3.37Å; L649-L653 VanDerWaalsContact O-CG 3.29Å; L649-L653 WeakPolarHBondContact O-CG 3.4Å; L649-L653 PolarHBondContact O-N 2.98Å; F650-L653 PolarHBondContact O-N 3.45Å; L653-S655 VanDerWaalsContact C-N 3.29Å; L653-S655 PolarHBondContact O-N 2.86Å; L653-E656 PolarHBondContact O-N 3.33Å; L653-I657 PolarHBondContact O-N 3.35Å; L653-F666 HydrophobicContact CB-CB 4.42Å; L653-F666 HydrophobicContact CB-CD2 4.42Å; L653-F666 HydrophobicContact CB-CG 4.47Å; L653-F666 HydrophobicContact CD2-CB 4.08Å; L653-F666 HydrophobicContact CD2-CD1 3.47Å; L653-F666 VanDerWaalsContact CD2-CD1 3.47Å; L653-F666 HydrophobicContact CD2-CD2 3.82Å; L653-F666 HydrophobicContact CD2-CE1 3.72Å; L653-F666 HydrophobicContact CD2-CE2 4.05Å; L653-F666 HydrophobicContact CD2-CG 3.53Å; L653-F666 HydrophobicContact CD2-CZ 4Å; L653-I669 HydrophobicContact CD1-CB 4.17Å; L653-I669 HydrophobicContact CD1-CG2 3.57Å; L653-L670 HydrophobicContact CB-CD1 4.13Å; L653-L670 HydrophobicContact CB-CD2 3.86Å; L653-L670 HydrophobicContact CB-CG 3.9Å; L653-L670 HydrophobicContact CD1-CD2 4.12Å; L653-L670 HydrophobicContact CD1-CG 4.22Å
654K97.3Very high96.2Very high26 Ų2618.7 Ų18.711%0.11311%0.105CC..Hα-helixtrans-62-36.5-177.8-178.865.6-17882.30112.1L120 I121 F650 W651 E656 I657 L670L120-K654 WeakPolarHBondContact O-CE 3.27Å; I121-K654 VanDerWaalsContact O-CE 3.25Å; I121-K654 WeakPolarHBondContact O-CE 3.16Å; I121-K654 PolarHBondContact O-NZ 3.35Å; F650-K654 HydrophobicContact CD1-CB 4.48Å; F650-K654 HydrophobicContact CE1-CB 4.13Å; F650-K654 HydrophobicContact CE1-CG 4.21Å; F650-K654 HydrophobicContact CZ-CB 4.26Å; F650-K654 HydrophobicContact CZ-CD 4.36Å; F650-K654 HydrophobicContact CZ-CG 4.17Å; F650-K654 WeakPolarHBondContact O-CB 3.49Å; F650-K654 PolarHBondContact O-N 3.44Å; W651-K654 HydrophobicContact CE3-CB 4.49Å; W651-K654 HydrophobicContact CE3-CG 4.43Å; W651-K654 HydrophobicContact CZ3-CG 4.29Å; W651-K654 PolarHBondContact O-N 3.44Å; K654-E656 PolarHBondContact O-N 3.05Å; K654-I657 HydrophobicContact CD-CG2 4.36Å; K654-I657 VanDerWaalsContact O-CG2 3.31Å; K654-I657 WeakPolarHBondContact O-CG2 3.38Å; K654-I657 PolarHBondContact O-N 3.18Å; K654-L670 HydrophobicContact CB-CD1 4.43Å
655S96.2Very high96.2Very high7 Ų718.1 Ų18.15%0.04910%0.102CC..Hα-helixtrans-61.6-28.6-179.174.60000112.8W651 H652 L653 H658 S814 G816W651-S655 VanDerWaalsContact O-CB 3.25Å; W651-S655 WeakPolarHBondContact O-CB 3.3Å; W651-S655 PolarHBondContact O-N 3.47Å; W651-S655 PolarHBondContact O-OG 3.2Å; H652-S655 PolarHBondContact O-OG 3.19Å; L653-S655 VanDerWaalsContact C-N 3.29Å; L653-S655 PolarHBondContact O-N 2.86Å; S655-H658 PolarHBondContact O-CE1 3.38Å; S655-H658 PolarHBondContact O-ND1 3.31Å; S655-S814 WeakPolarHBondContact CB-O 3.06Å; S655-G816 CarbonylContact O-C 3.58Å
656E96Very high96.2Very high2 Ų218.1 Ų18.11%0.00910%0.102CC..THydrogen-bonded Turntrans-106.56.7-177.4-62.9-161.6-99.900113.9Q619 K622 L653 K654 H658 V659 V662 F666 R782Q619-E656 PolarHBondContact NE2-OE1 3.29Å; Q619-E656 PolarHBondContact OE1-OE1 3.47Å; K622-E656 VanDerWaalsContact NZ-CD 3.34Å; K622-E656 IonicContact NZ-OE1 3.05Å; K622-E656 PolarHBondContact NZ-OE1 3.02Å; K622-E656 IonicContact NZ-OE2 3.83Å; K622-E656 PolarHBondContact NZ-OE2 3.5Å; L653-E656 PolarHBondContact O-N 3.33Å; K654-E656 PolarHBondContact O-N 3.05Å; E656-H658 PolarHBondContact O-N 3.29Å; E656-V659 HydrophobicContact CB-CG2 4.34Å; E656-V659 VanDerWaalsContact O-CB 3.3Å; E656-V659 WeakPolarHBondContact O-CB 3.29Å; E656-V659 PolarHBondContact O-N 3.04Å; E656-V662 HydrophobicContact CB-CG2 4.48Å; E656-F666 HydrophobicContact CB-CD2 4.13Å; E656-F666 HydrophobicContact CB-CE2 3.98Å; E656-R782 IonicContact OE2-NH1 2.77Å; E656-R782 PolarHBondContact OE2-NH1 3.34Å; E656-R782 VanDerWaalsContact OE2-NH1 3.09Å
657I93.4Very high96.1Very high20 Ų2018.1 Ų18.110%0.10310%0.102CC..THydrogen-bonded Turntrans-60.1-23.8-179-158.867000113.4L653 K654 V659 S663 F666 L670L653-I657 PolarHBondContact O-N 3.35Å; K654-I657 HydrophobicContact CD-CG2 4.36Å; K654-I657 VanDerWaalsContact O-CG2 3.31Å; K654-I657 WeakPolarHBondContact O-CG2 3.38Å; K654-I657 PolarHBondContact O-N 3.18Å; I657-V659 PolarHBondContact O-N 3.45Å; I657-S663 WeakPolarHBondContact CD1-O 3.25Å; I657-S663 VanDerWaalsContact O-CB 3.24Å; I657-S663 WeakPolarHBondContact O-CB 3.12Å; I657-S663 PolarHBondContact O-OG 3.33Å; I657-F666 HydrophobicContact CD1-CB 4.14Å; I657-L670 HydrophobicContact CD1-CD1 4.19Å
658H91.7Very high96Very high84 Ų8418.1 Ų18.139%0.38910%0.103SC..THydrogen-bonded Turntrans-72.8-14.817669.4-84.7000113.3S655 E656 A660 N817S655-H658 PolarHBondContact O-CE1 3.38Å; S655-H658 PolarHBondContact O-ND1 3.31Å; E656-H658 PolarHBondContact O-N 3.29Å; H658-A660 PolarHBondContact O-N 3.23Å; H658-N817 HydrophobicContact CB-CB 4.35Å
659V93.4Very high96Very high40 Ų4016.8 Ų16.824%0.24210%0.097CC..SBendtrans-83.4109.7178.7-178.50000108.6E656 I657 S661 V662 S663E656-V659 HydrophobicContact CB-CG2 4.34Å; E656-V659 VanDerWaalsContact O-CB 3.3Å; E656-V659 WeakPolarHBondContact O-CB 3.29Å; E656-V659 PolarHBondContact O-N 3.04Å; I657-V659 PolarHBondContact O-N 3.45Å; V659-S661 VanDerWaalsContact C-N 3.25Å; V659-S661 WeakPolarHBondContact CG1-OG 3.42Å; V659-S661 PolarHBondContact O-N 2.7Å; V659-S661 VanDerWaalsContact O-N 3.13Å; V659-V662 HydrophobicContact CB-CG2 3.82Å; V659-V662 HydrophobicContact CG1-CG2 4.08Å; V659-V662 WeakPolarHBondContact O-CG2 3.46Å; V659-V662 PolarHBondContact O-N 3.42Å; V659-V662 VanDerWaalsContact O-N 3.1Å; V659-S663 WeakPolarHBondContact O-CB 3.4Å; V659-S663 PolarHBondContact O-N 3.13Å
660A92.8Very high96Very high49 Ų4916.7 Ų16.741%0.40510%0.096SC..Hα-helixtrans-54.2-36.8-171.700000114.3W444 P465 H658 V662W444-A660 HydrophobicContact CH2-CB 3.89Å; W444-A660 HydrophobicContact CZ3-CB 4.03Å; P465-A660 HydrophobicContact CG-CB 3.89Å; H658-A660 PolarHBondContact O-N 3.23Å; A660-V662 PolarHBondContact O-N 3.11Å
661S92.7Very high95.9Very high37 Ų3717 Ų1726%0.25910%0.098SC..Hα-helixtrans-67.4-18.8-177.255.70000114.5V659V659-S661 VanDerWaalsContact C-N 3.25Å; V659-S661 WeakPolarHBondContact CG1-OG 3.42Å; V659-S661 PolarHBondContact O-N 2.7Å; V659-S661 VanDerWaalsContact O-N 3.13Å
662V95.2Very high95.8Very high7 Ų717.1 Ų17.14%0.04210%0.099CC..Hα-helixtrans-124.1-11.8-177.7-58.90000113.1K622 E656 V659 A660 L664 R665 F666K622-V662 HydrophobicContact CB-CG1 4.48Å; K622-V662 HydrophobicContact CD-CG1 3.99Å; K622-V662 HydrophobicContact CG-CG1 3.7Å; E656-V662 HydrophobicContact CB-CG2 4.48Å; V659-V662 HydrophobicContact CB-CG2 3.82Å; V659-V662 HydrophobicContact CG1-CG2 4.08Å; V659-V662 WeakPolarHBondContact O-CG2 3.46Å; V659-V662 PolarHBondContact O-N 3.42Å; V659-V662 VanDerWaalsContact O-N 3.1Å; A660-V662 PolarHBondContact O-N 3.11Å; V662-L664 PolarHBondContact O-N 3.1Å; V662-L664 VanDerWaalsContact O-N 3.14Å; V662-R665 PolarHBondContact O-N 3.48Å; V662-R665 VanDerWaalsContact O-N 3.12Å; V662-F666 HydrophobicContact CB-CD1 4.34Å; V662-F666 HydrophobicContact CB-CD2 4.18Å; V662-F666 HydrophobicContact CB-CE1 4.41Å; V662-F666 HydrophobicContact CB-CE2 4.26Å; V662-F666 HydrophobicContact CB-CG 4.24Å; V662-F666 HydrophobicContact CB-CZ 4.37Å; V662-F666 HydrophobicContact CG2-CD2 3.9Å; V662-F666 HydrophobicContact CG2-CE2 4.01Å; V662-F666 HydrophobicContact CG2-CG 4.39Å; V662-F666 WeakPolarHBondContact O-CB 3.25Å; V662-F666 PolarHBondContact O-N 3.23Å
663S94.3Very high95.7Very high20 Ų2016.4 Ų16.414%0.1410%0.096CC..Hα-helixtrans-49.9-41.2-177.3-177.30000113.2K123 I657 V659 G667K123-S663 PolarHBondContact NZ-OG 3.47Å; I657-S663 WeakPolarHBondContact CD1-O 3.25Å; I657-S663 VanDerWaalsContact O-CB 3.24Å; I657-S663 WeakPolarHBondContact O-CB 3.12Å; I657-S663 PolarHBondContact O-OG 3.33Å; V659-S663 WeakPolarHBondContact O-CB 3.4Å; V659-S663 PolarHBondContact O-N 3.13Å; S663-G667 PolarHBondContact O-N 3Å
664L94Very high95.6Very high19 Ų1916.4 Ų16.410%0.09910%0.096CC..Hα-helixtrans-64.9-59.4175.7178.959.8000111.6F128 V136 V662 F666 G667 L668F128-L664 HydrophobicContact CD1-CD1 3.54Å; F128-L664 HydrophobicContact CE1-CD1 3.75Å; V136-L664 HydrophobicContact CG2-CD1 4.32Å; V136-L664 HydrophobicContact CG2-CD2 4.11Å; V662-L664 PolarHBondContact O-N 3.1Å; V662-L664 VanDerWaalsContact O-N 3.14Å; L664-F666 PolarHBondContact O-N 2.96Å; L664-G667 PolarHBondContact O-N 3.46Å; L664-L668 HydrophobicContact CD1-CD1 3.82Å; L664-L668 HydrophobicContact CD1-CG 4.12Å; L664-L668 HydrophobicContact CG-CD1 4.04Å; L664-L668 VanDerWaalsContact O-CG 3.28Å; L664-L668 WeakPolarHBondContact O-CG 3.38Å; L664-L668 PolarHBondContact O-N 3.43Å
665R96.9Very high95.2Very high16 Ų1615.7 Ų15.76%0.069%0.092CC..Hα-helixtrans-55.9-51.7-178.1179.8-174.9-70.8-78.82.7111.4L621 E624 Y626 L627 V662 G667 L668 I669L621-R665 WeakPolarHBondContact O-CD 3.44Å; L621-R665 PolarHBondContact O-NE 3.09Å; E624-R665 PolarHBondContact O-NH2 3.03Å; Y626-R665 VanDerWaalsContact C-NH2 3.29Å; Y626-R665 VanDerWaalsContact O-CZ 3.23Å; Y626-R665 PolarHBondContact O-NH1 3.33Å; Y626-R665 PolarHBondContact O-NH2 2.95Å; L627-R665 HydrophobicContact CD2-CB 3.97Å; L627-R665 HydrophobicContact CD2-CG 4.18Å; L627-R665 PolarHBondContact O-NH1 3.43Å; V662-R665 PolarHBondContact O-N 3.48Å; V662-R665 VanDerWaalsContact O-N 3.12Å; R665-G667 VanDerWaalsContact C-N 3.34Å; R665-G667 PolarHBondContact O-N 3Å; R665-L668 PolarHBondContact O-N 3.42Å; R665-I669 HydrophobicContact CG-CD1 3.99Å; R665-I669 WeakPolarHBondContact O-CG1 3.45Å; R665-I669 PolarHBondContact O-N 3.4Å
666F97.9Very high95Very high0 Ų015.3 Ų15.30%09%0.09CC..Hα-helixtrans-67.4-36.7-177.5-73.36.9000111.4V618 L621 K622 L653 E656 I657 V662 L664 L668 I669 L670V618-F666 HydrophobicContact CG1-CE2 4.27Å; V618-F666 HydrophobicContact CG1-CZ 3.98Å; L621-F666 HydrophobicContact CB-CE1 4.11Å; L621-F666 HydrophobicContact CD1-CE1 4.28Å; K622-F666 HydrophobicContact CG-CZ 4.24Å; L653-F666 HydrophobicContact CB-CB 4.42Å; L653-F666 HydrophobicContact CB-CD2 4.42Å; L653-F666 HydrophobicContact CB-CG 4.47Å; L653-F666 HydrophobicContact CD2-CB 4.08Å; L653-F666 HydrophobicContact CD2-CD1 3.47Å; L653-F666 VanDerWaalsContact CD2-CD1 3.47Å; L653-F666 HydrophobicContact CD2-CD2 3.82Å; L653-F666 HydrophobicContact CD2-CE1 3.72Å; L653-F666 HydrophobicContact CD2-CE2 4.05Å; L653-F666 HydrophobicContact CD2-CG 3.53Å; L653-F666 HydrophobicContact CD2-CZ 4Å; E656-F666 HydrophobicContact CB-CD2 4.13Å; E656-F666 HydrophobicContact CB-CE2 3.98Å; I657-F666 HydrophobicContact CD1-CB 4.14Å; V662-F666 HydrophobicContact CB-CD1 4.34Å; V662-F666 HydrophobicContact CB-CD2 4.18Å; V662-F666 HydrophobicContact CB-CE1 4.41Å; V662-F666 HydrophobicContact CB-CE2 4.26Å; V662-F666 HydrophobicContact CB-CG 4.24Å; V662-F666 HydrophobicContact CB-CZ 4.37Å; V662-F666 HydrophobicContact CG2-CD2 3.9Å; V662-F666 HydrophobicContact CG2-CE2 4.01Å; V662-F666 HydrophobicContact CG2-CG 4.39Å; V662-F666 WeakPolarHBondContact O-CB 3.25Å; V662-F666 PolarHBondContact O-N 3.23Å; L664-F666 PolarHBondContact O-N 2.96Å; F666-L668 PolarHBondContact O-N 3.09Å; F666-I669 PolarHBondContact O-N 2.94Å; F666-L670 WeakPolarHBondContact O-CB 3.47Å; F666-L670 WeakPolarHBondContact O-CG 3.34Å; F666-L670 PolarHBondContact O-N 3.44Å
667G96.8Very high94.6Very high0 Ų015.4 Ų15.40%09%0.09CC..Hα-helixtrans-61.2-42.217400000113.1S663 L664 R665 L670 E671S663-G667 PolarHBondContact O-N 3Å; L664-G667 PolarHBondContact O-N 3.46Å; R665-G667 VanDerWaalsContact C-N 3.34Å; R665-G667 PolarHBondContact O-N 3Å; G667-L670 PolarHBondContact O-N 3.23Å; G667-E671 PolarHBondContact O-N 2.86Å
668L97.2Very high94.3Very high1 Ų114.7 Ų14.71%0.0059%0.086CC..Hα-helixtrans-68.8-39.3177.9-65.9172000112.6F128 V136 F139 R140 L627 L664 R665 F666 E671 A672F128-L668 HydrophobicContact CB-CD2 4.21Å; F128-L668 HydrophobicContact CD1-CD2 4.04Å; F128-L668 HydrophobicContact CD1-CG 4.47Å; F128-L668 HydrophobicContact CD2-CD2 3.81Å; F128-L668 HydrophobicContact CE1-CD2 4.35Å; F128-L668 HydrophobicContact CE1-CG 4.44Å; F128-L668 HydrophobicContact CE2-CD2 4.13Å; F128-L668 HydrophobicContact CG-CD2 3.77Å; F128-L668 HydrophobicContact CZ-CD2 4.4Å; V136-L668 HydrophobicContact CG1-CD1 4.03Å; V136-L668 HydrophobicContact CG1-CD2 3.96Å; V136-L668 HydrophobicContact CG2-CD1 4.26Å; F139-L668 HydrophobicContact CD1-CB 3.83Å; F139-L668 HydrophobicContact CD1-CD1 4.2Å; F139-L668 HydrophobicContact CD1-CG 4.49Å; F139-L668 HydrophobicContact CE1-CB 3.55Å; R140-L668 HydrophobicContact CG-CD2 3.52Å; L627-L668 HydrophobicContact CD1-CD1 3.65Å; L627-L668 HydrophobicContact CD2-CD1 4.11Å; L627-L668 HydrophobicContact CG-CD1 4.48Å; L664-L668 HydrophobicContact CD1-CD1 3.82Å; L664-L668 HydrophobicContact CD1-CG 4.12Å; L664-L668 HydrophobicContact CG-CD1 4.04Å; L664-L668 VanDerWaalsContact O-CG 3.28Å; L664-L668 WeakPolarHBondContact O-CG 3.38Å; L664-L668 PolarHBondContact O-N 3.43Å; R665-L668 PolarHBondContact O-N 3.42Å; F666-L668 PolarHBondContact O-N 3.09Å; L668-E671 PolarHBondContact O-N 2.82Å; L668-A672 PolarHBondContact O-N 3.16Å
669I98.4Very high94Very high4 Ų412.5 Ų12.52%0.0218%0.077CC..Hα-helixtrans-65.7-41.7174.6-63.1169.9000110.4F139 L621 T632 L636 L653 R665 F666 A672 Y673F139-I669 HydrophobicContact CZ-CG1 4.1Å; L621-I669 HydrophobicContact CD1-CD1 3.98Å; T632-I669 HydrophobicContact CG2-CD1 3.9Å; T632-I669 HydrophobicContact CG2-CG1 3.78Å; L636-I669 HydrophobicContact CD2-CG2 3.98Å; L636-I669 HydrophobicContact CG-CG2 4.26Å; L653-I669 HydrophobicContact CD1-CB 4.17Å; L653-I669 HydrophobicContact CD1-CG2 3.57Å; R665-I669 HydrophobicContact CG-CD1 3.99Å; R665-I669 WeakPolarHBondContact O-CG1 3.45Å; R665-I669 PolarHBondContact O-N 3.4Å; F666-I669 PolarHBondContact O-N 2.94Å; I669-A672 PolarHBondContact O-N 3.17Å; I669-Y673 WeakPolarHBondContact O-CB 3.4Å; I669-Y673 PolarHBondContact O-N 3.27Å
670L98.1Very high93.9Very high0 Ų010.7 Ų10.70%07%0.065CC..Hα-helixtrans-63-41.9175.4-74.8169.7000111.8I121 F650 L653 K654 I657 F666 G667 Y673 C674I121-L670 HydrophobicContact CG2-CB 3.72Å; I121-L670 HydrophobicContact CG2-CD1 4.28Å; F650-L670 HydrophobicContact CB-CD2 4.44Å; F650-L670 HydrophobicContact CD2-CD2 3.44Å; F650-L670 VanDerWaalsContact CD2-CD2 3.44Å; F650-L670 HydrophobicContact CE2-CD2 3.89Å; F650-L670 HydrophobicContact CG-CD2 4.15Å; L653-L670 HydrophobicContact CB-CD1 4.13Å; L653-L670 HydrophobicContact CB-CD2 3.86Å; L653-L670 HydrophobicContact CB-CG 3.9Å; L653-L670 HydrophobicContact CD1-CD2 4.12Å; L653-L670 HydrophobicContact CD1-CG 4.22Å; K654-L670 HydrophobicContact CB-CD1 4.43Å; I657-L670 HydrophobicContact CD1-CD1 4.19Å; F666-L670 WeakPolarHBondContact O-CB 3.47Å; F666-L670 WeakPolarHBondContact O-CG 3.34Å; F666-L670 PolarHBondContact O-N 3.44Å; G667-L670 PolarHBondContact O-N 3.23Å; L670-Y673 PolarHBondContact O-N 3.33Å; L670-C674 WeakPolarHBondContact O-CB 3.4Å; L670-C674 PolarHBondContact O-N 3.12Å; L670-C674 PolarHBondContact O-SG 3.27Å
671E96Very high93.9Very high7 Ų78.4 Ų8.43%0.0335%0.046CC..Hα-helixtrans-56.5-52173.2179.8-175.6-173.300110.5I117 L125 R140 G667 L668 Y673 C674 R675I117-E671 HydrophobicContact CG2-CB 4.46Å; I117-E671 HydrophobicContact CG2-CG 4.43Å; L125-E671 HydrophobicContact CD1-CG 4.36Å; L125-E671 HydrophobicContact CD2-CB 4.09Å; L125-E671 HydrophobicContact CD2-CG 3.81Å; R140-E671 IonicContact CZ-OE1 3.43Å; R140-E671 IonicContact CZ-OE2 3.52Å; R140-E671 IonicContact NE-OE1 3.32Å; R140-E671 PolarHBondContact NE-OE1 2.81Å; R140-E671 IonicContact NE-OE2 2.84Å; R140-E671 PolarHBondContact NE-OE2 3.26Å; R140-E671 IonicContact NH2-OE1 2.7Å; R140-E671 PolarHBondContact NH2-OE1 3.35Å; R140-E671 IonicContact NH2-OE2 3.89Å; G667-E671 PolarHBondContact O-N 2.86Å; L668-E671 PolarHBondContact O-N 2.82Å; E671-Y673 PolarHBondContact O-N 2.76Å; E671-C674 PolarHBondContact O-N 3.21Å; E671-R675 WeakPolarHBondContact O-CG 3.47Å; E671-R675 PolarHBondContact O-N 3.35Å; E671-R675 IonicContact OE1-CZ 2.93Å; E671-R675 IonicContact OE1-NE 2.85Å; E671-R675 PolarHBondContact OE1-NE 3.1Å; E671-R675 VanDerWaalsContact OE1-NE 3.08Å; E671-R675 IonicContact OE1-NH2 3.71Å; E671-R675 PolarHBondContact OE1-NH2 3.15Å
672A96.4Very high93.6Very high4 Ų411.6 Ų11.63%0.0336%0.055CC..Hα-helixtrans-58.3-49179.800000112.1M143 C147 L636 L668 I669 C674 R675 G676M143-A672 HydrophobicContact CB-CB 3.78Å; C147-A672 WeakPolarHBondContact CB-O 3.44Å; C147-A672 PolarHBondContact SG-O 3.4Å; C147-A672 VanDerWaalsContact SG-O 3.34Å; L636-A672 HydrophobicContact CD1-CB 4.11Å; L636-A672 HydrophobicContact CD2-CB 4.41Å; L668-A672 PolarHBondContact O-N 3.16Å; I669-A672 PolarHBondContact O-N 3.17Å; A672-C674 PolarHBondContact O-N 2.91Å; A672-R675 PolarHBondContact O-N 3.48Å; A672-G676 PolarHBondContact O-N 3.47Å
673Y97.4Very high93.5Very high2 Ų212.6 Ų12.61%0.0086%0.061CC..Hα-helixtrans-57.2-47.4177.1173.7-103.7000112.3A639 L640 G646 F650 I669 L670 E671 R675 G676 N677 H680 L684A639-Y673 HydrophobicContact CB-CD2 4.06Å; A639-Y673 HydrophobicContact CB-CE2 3.98Å; L640-Y673 HydrophobicContact CD2-CD2 4.28Å; L640-Y673 HydrophobicContact CD2-CE2 4.49Å; G646-Y673 WeakPolarHBondContact CA-OH 3.23Å; G646-Y673 PolarHBondContact O-OH 3.16Å; F650-Y673 HydrophobicContact CB-CD1 4.4Å; F650-Y673 HydrophobicContact CB-CE1 4.08Å; F650-Y673 HydrophobicContact CD2-CD1 4.37Å; F650-Y673 HydrophobicContact CD2-CE1 4.47Å; I669-Y673 WeakPolarHBondContact O-CB 3.4Å; I669-Y673 PolarHBondContact O-N 3.27Å; L670-Y673 PolarHBondContact O-N 3.33Å; E671-Y673 PolarHBondContact O-N 2.76Å; Y673-R675 PolarHBondContact O-N 2.89Å; Y673-G676 PolarHBondContact O-N 3.5Å; Y673-N677 WeakPolarHBondContact O-CB 3.42Å; Y673-N677 PolarHBondContact O-N 3.03Å; Y673-N677 VanDerWaalsContact O-N 3.14Å; Y673-H680 AromaticContact CZ-ND1 3.82Å; Y673-H680 PolarHBondContact OH-CE1 3.42Å; Y673-H680 PolarHBondContact OH-ND1 2.97Å; Y673-L684 HydrophobicContact CE1-CD1 4.16Å
674C94.8Very high93.6Very high0 Ų011.7 Ų11.70%05%0.054CC..Hα-helixtrans-63.2-42.1-179.5-67.60000111.4I117 L670 E671 A672 G676 N677 I678 I681I117-C674 HydrophobicContact CD1-CB 3.87Å; I117-C674 HydrophobicContact CG1-CB 3.69Å; I117-C674 HydrophobicContact CG2-CB 4.39Å; L670-C674 WeakPolarHBondContact O-CB 3.4Å; L670-C674 PolarHBondContact O-N 3.12Å; L670-C674 PolarHBondContact O-SG 3.27Å; E671-C674 PolarHBondContact O-N 3.21Å; A672-C674 PolarHBondContact O-N 2.91Å; C674-G676 VanDerWaalsContact C-N 3.31Å; C674-G676 PolarHBondContact O-N 3.44Å; C674-N677 CarbonylContact O-C 3.35Å; C674-N677 PolarHBondContact O-N 2.96Å; C674-I678 PolarHBondContact O-N 3.44Å; C674-I681 HydrophobicContact CB-CD1 3.82Å; C674-I681 HydrophobicContact CB-CG1 3.9Å; C674-I681 WeakPolarHBondContact O-CD1 3.17Å
675R89.8Confident93.6Very high10 Ų1012.3 Ų12.34%0.0386%0.06CC..Hα-helixtrans-61.6-39.1175.3-70-174.1-174.4-69.3-1.9112.3N114 I117 Y297 E671 A672 Y673 N677N114-R675 PolarHBondContact OD1-NH1 3.24Å; N114-R675 PolarHBondContact OD1-NH2 3.11Å; I117-R675 HydrophobicContact CD1-CG 3.74Å; Y297-R675 PolarHBondContact OH-O 3.22Å; E671-R675 WeakPolarHBondContact O-CG 3.47Å; E671-R675 PolarHBondContact O-N 3.35Å; E671-R675 IonicContact OE1-CZ 2.93Å; E671-R675 IonicContact OE1-NE 2.85Å; E671-R675 PolarHBondContact OE1-NE 3.1Å; E671-R675 VanDerWaalsContact OE1-NE 3.08Å; E671-R675 IonicContact OE1-NH2 3.71Å; E671-R675 PolarHBondContact OE1-NH2 3.15Å; A672-R675 PolarHBondContact O-N 3.48Å; Y673-R675 PolarHBondContact O-N 2.89Å; R675-N677 PolarHBondContact O-N 3.09Å
676G91.1Very high93.4Very high0 Ų015.6 Ų15.60%08%0.075CC..Hα-helixtrans-69.1-13.8174.100000114.2C147 S151 R154 A672 Y673 C674C147-G676 WeakPolarHBondContact O-CA 3.5Å; S151-G676 WeakPolarHBondContact CB-O 3.29Å; S151-G676 PolarHBondContact OG-O 3.36Å; S151-G676 VanDerWaalsContact OG-O 3.09Å; R154-G676 PolarHBondContact NH2-O 3.1Å; A672-G676 PolarHBondContact O-N 3.47Å; Y673-G676 PolarHBondContact O-N 3.5Å; C674-G676 VanDerWaalsContact C-N 3.31Å; C674-G676 PolarHBondContact O-N 3.44Å
677N89Confident93.4Very high3 Ų315.6 Ų15.62%0.0168%0.075CC..THydrogen-bonded Turntrans-144.653.9-168.8-142.8-24.5000113.9Y165 L640 Y673 C674 R675 H679 H680 I681Y165-N677 VanDerWaalsContact OH-CG 3.26Å; Y165-N677 PolarHBondContact OH-ND2 3.25Å; Y165-N677 PolarHBondContact OH-OD1 3.26Å; L640-N677 HydrophobicContact CD2-CB 4.28Å; Y673-N677 WeakPolarHBondContact O-CB 3.42Å; Y673-N677 PolarHBondContact O-N 3.03Å; Y673-N677 VanDerWaalsContact O-N 3.14Å; C674-N677 CarbonylContact O-C 3.35Å; C674-N677 PolarHBondContact O-N 2.96Å; R675-N677 PolarHBondContact O-N 3.09Å; N677-H679 VanDerWaalsContact C-N 3.26Å; N677-H679 PolarHBondContact O-N 3.26Å; N677-H679 VanDerWaalsContact O-N 3.15Å; N677-H680 HydrophobicContact CB-CB 4.18Å; N677-H680 WeakPolarHBondContact O-CB 3.27Å; N677-H680 PolarHBondContact O-N 2.68Å; N677-I681 PolarHBondContact O-N 3.25Å
678I85.9Confident93.3Very high5 Ų517.7 Ų17.73%0.0269%0.086CC..Hα-helixtrans-53.6-38.7-174.6-62147000113.1V292 M296 C674 H680 I681V292-I678 HydrophobicContact CG1-CG2 3.62Å; M296-I678 HydrophobicContact CE-CD1 4.01Å; M296-I678 HydrophobicContact CE-CG1 4.48Å; M296-I678 HydrophobicContact SD-CD1 3.4Å; M296-I678 WeakPolarHBondContact SD-CD1 3.47Å; M296-I678 HydrophobicContact SD-CG1 4.04Å; M296-I678 HydrophobicContact SD-CG2 4.07Å; C674-I678 PolarHBondContact O-N 3.44Å; I678-H680 VanDerWaalsContact C-N 3.3Å; I678-H680 PolarHBondContact O-N 3.06Å; I678-I681 VanDerWaalsContact O-CB 3.31Å; I678-I681 WeakPolarHBondContact O-CB 3.46Å; I678-I681 PolarHBondContact O-N 2.74Å
679H85.9Confident93Very high39 Ų3921.5 Ų21.518%0.18110%0.104CC..Hα-helixtrans-63.4-38.1176.8178.3-101.8000112.4Q289 N677 I681 K682Q289-H679 HydrophobicContact CB-CB 4.3Å; Q289-H679 HydrophobicContact CG-CB 3.83Å; Q289-H679 VanDerWaalsContact CG-CG 3.41Å; Q289-H679 PolarHBondContact NE2-CE1 3.01Å; Q289-H679 VanDerWaalsContact NE2-CE1 3.35Å; Q289-H679 PolarHBondContact NE2-ND1 3.09Å; Q289-H679 VanDerWaalsContact NE2-ND1 3.2Å; N677-H679 VanDerWaalsContact C-N 3.26Å; N677-H679 PolarHBondContact O-N 3.26Å; N677-H679 VanDerWaalsContact O-N 3.15Å; H679-I681 VanDerWaalsContact C-N 3.27Å; H679-I681 PolarHBondContact O-N 2.93Å; H679-K682 PolarHBondContact O-N 3.42Å
680H92.1Very high92.9Very high2 Ų221.4 Ų21.41%0.00910%0.103CC..Hα-helixtrans-69.1-27-179.8-158.8-156.1000112.5R643 Y673 N677 I678 K682 L683 L684R643-H680 PolarHBondContact NE-CD2 3.23Å; R643-H680 PolarHBondContact NE-NE2 3.46Å; Y673-H680 AromaticContact CZ-ND1 3.82Å; Y673-H680 PolarHBondContact OH-CE1 3.42Å; Y673-H680 PolarHBondContact OH-ND1 2.97Å; N677-H680 HydrophobicContact CB-CB 4.18Å; N677-H680 WeakPolarHBondContact O-CB 3.27Å; N677-H680 PolarHBondContact O-N 2.68Å; I678-H680 VanDerWaalsContact C-N 3.3Å; I678-H680 PolarHBondContact O-N 3.06Å; H680-K682 VanDerWaalsContact C-N 3.25Å; H680-K682 PolarHBondContact O-N 2.87Å; H680-L683 PolarHBondContact O-N 3.47Å; H680-L683 VanDerWaalsContact O-N 3.09Å; H680-L684 WeakPolarHBondContact O-CG 3.44Å; H680-L684 PolarHBondContact O-N 3.41Å
681I91.2Very high92.8Very high1 Ų121.7 Ų21.71%0.00511%0.105CC..Hα-helixtrans-51.3-46.5172.6-59.2177.8000110.4T113 Q116 I117 L120 C674 N677 I678 H679 L683 L684 S685T113-I681 HydrophobicContact CG2-CD1 4.45Å; Q116-I681 HydrophobicContact CB-CG2 4.01Å; I117-I681 HydrophobicContact CD1-CD1 4.36Å; I117-I681 HydrophobicContact CG1-CD1 3.85Å; L120-I681 HydrophobicContact CD2-CB 4.49Å; L120-I681 HydrophobicContact CD2-CG2 3.99Å; C674-I681 HydrophobicContact CB-CD1 3.82Å; C674-I681 HydrophobicContact CB-CG1 3.9Å; C674-I681 WeakPolarHBondContact O-CD1 3.17Å; N677-I681 PolarHBondContact O-N 3.25Å; I678-I681 VanDerWaalsContact O-CB 3.31Å; I678-I681 WeakPolarHBondContact O-CB 3.46Å; I678-I681 PolarHBondContact O-N 2.74Å; H679-I681 VanDerWaalsContact C-N 3.27Å; H679-I681 PolarHBondContact O-N 2.93Å; I681-L683 VanDerWaalsContact C-N 3.28Å; I681-L683 PolarHBondContact O-N 3.22Å; I681-L684 PolarHBondContact O-N 3.43Å; I681-S685 WeakPolarHBondContact O-CB 3.29Å; I681-S685 PolarHBondContact O-N 3.03Å; I681-S685 PolarHBondContact O-OG 3.4Å
682K88.1Confident92.6Very high103 Ų10323.3 Ų23.345%0.44812%0.124SC..Hα-helixtrans-58.4-41.1-179-64.8-175.6179.2-1790112.5H679 H680 K686H679-K682 PolarHBondContact O-N 3.42Å; H680-K682 VanDerWaalsContact C-N 3.25Å; H680-K682 PolarHBondContact O-N 2.87Å; K682-K686 PolarHBondContact O-N 3.26Å; K682-K686 VanDerWaalsContact O-N 3.16Å
683L92.9Very high92.4Very high29 Ų2924 Ų2415%0.15213%0.126CC..Hα-helixtrans-74.2-39.3-178.3-59.4176.9000111.5W247 H680 I681 Q687 L730W247-L683 HydrophobicContact CZ3-CD1 4.29Å; H680-L683 PolarHBondContact O-N 3.47Å; H680-L683 VanDerWaalsContact O-N 3.09Å; I681-L683 VanDerWaalsContact C-N 3.28Å; I681-L683 PolarHBondContact O-N 3.22Å; L683-Q687 WeakPolarHBondContact O-CG 3.17Å; L683-Q687 PolarHBondContact O-N 3.35Å; L683-L730 HydrophobicContact CD1-CD1 4.38Å
684L96.4Very high92.3Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-68.1-35.5174-65172000111.8L120 F650 Y673 H680 I681 Q687 N688L120-L684 HydrophobicContact CD1-CB 3.89Å; L120-L684 HydrophobicContact CD2-CB 3.76Å; L120-L684 HydrophobicContact CD2-CD1 4.21Å; L120-L684 HydrophobicContact CG-CB 4.45Å; F650-L684 HydrophobicContact CB-CD1 4.31Å; F650-L684 HydrophobicContact CD1-CD1 4Å; F650-L684 HydrophobicContact CD1-CD2 3.67Å; F650-L684 HydrophobicContact CD1-CG 4.34Å; F650-L684 HydrophobicContact CD2-CD1 3.7Å; F650-L684 HydrophobicContact CE1-CB 4.36Å; F650-L684 HydrophobicContact CE1-CD1 4.29Å; F650-L684 HydrophobicContact CE1-CD2 4Å; F650-L684 HydrophobicContact CE1-CG 4.45Å; F650-L684 HydrophobicContact CE2-CD1 4.01Å; F650-L684 HydrophobicContact CG-CD1 3.72Å; F650-L684 HydrophobicContact CG-CD2 4.15Å; F650-L684 HydrophobicContact CZ-CB 4.41Å; F650-L684 HydrophobicContact CZ-CD1 4.3Å; Y673-L684 HydrophobicContact CE1-CD1 4.16Å; H680-L684 WeakPolarHBondContact O-CG 3.44Å; H680-L684 PolarHBondContact O-N 3.41Å; I681-L684 PolarHBondContact O-N 3.43Å; L684-Q687 WeakPolarHBondContact O-CB 3.21Å; L684-Q687 PolarHBondContact O-N 3.43Å; L684-N688 WeakPolarHBondContact O-CB 3.33Å; L684-N688 PolarHBondContact O-N 2.86Å
685S92.2Very high92.2Very high32 Ų3227.8 Ų27.822%0.22414%0.142CC..Hα-helixtrans-64-45.8175-67.90000111.8I681 Q687 N688 E689I681-S685 WeakPolarHBondContact O-CB 3.29Å; I681-S685 PolarHBondContact O-N 3.03Å; I681-S685 PolarHBondContact O-OG 3.4Å; S685-Q687 VanDerWaalsContact C-N 3.28Å; S685-Q687 PolarHBondContact O-N 3Å; S685-N688 PolarHBondContact O-N 3.31Å; S685-N688 VanDerWaalsContact O-N 3.15Å; S685-E689 WeakPolarHBondContact O-CB 3.47Å; S685-E689 PolarHBondContact O-N 2.79Å
686K93.8Very high92.2Very high85 Ų8528.7 Ų28.737%0.3715%0.152SC..Hα-helixtrans-55.5-43.8171.9-80.8-167.9164.6-162.70111.7K682 A690 D728K682-K686 PolarHBondContact O-N 3.26Å; K682-K686 VanDerWaalsContact O-N 3.16Å; K686-A690 WeakPolarHBondContact O-CB 3.5Å; K686-A690 PolarHBondContact O-N 3.16Å; K686-D728 PolarHBondContact NZ-O 2.86Å; K686-D728 IonicContact NZ-OD2 3.98Å; K686-D728 PolarHBondContact NZ-OD2 2.79Å
687Q97.3Very high92.2Very high1 Ų128.7 Ų28.71%0.00515%0.152CC..Hα-helixtrans-64.1-42.7176.6-71.2172.30.600112.6H647 W651 L683 L684 S685 A690 L691 L729 L730 P732H647-Q687 PolarHBondContact CE1-OE1 3.19Å; W651-Q687 HydrophobicContact CH2-CB 4.42Å; W651-Q687 HydrophobicContact CZ2-CB 3.75Å; L683-Q687 WeakPolarHBondContact O-CG 3.17Å; L683-Q687 PolarHBondContact O-N 3.35Å; L684-Q687 WeakPolarHBondContact O-CB 3.21Å; L684-Q687 PolarHBondContact O-N 3.43Å; S685-Q687 VanDerWaalsContact C-N 3.28Å; S685-Q687 PolarHBondContact O-N 3Å; Q687-A690 PolarHBondContact O-N 2.91Å; Q687-L691 WeakPolarHBondContact O-CG 3.38Å; Q687-L691 PolarHBondContact O-N 2.95Å; Q687-L729 HydrophobicContact CG-CD1 4.48Å; Q687-L730 VanDerWaalsContact CG-O 3.23Å; Q687-L730 WeakPolarHBondContact CG-O 3.31Å; Q687-L730 PolarHBondContact NE2-O 3.36Å; Q687-P732 HydrophobicContact CB-CG 4.12Å; Q687-P732 HydrophobicContact CG-CG 3.95Å
688N94.4Very high92.3Very high43 Ų4328.6 Ų28.623%0.2315%0.151CC..Hα-helixtrans-66.9-38.5-179.9-168.256.1000111.6L120 L684 S685 L691 G692L120-N688 HydrophobicContact CD1-CB 3.94Å; L684-N688 WeakPolarHBondContact O-CB 3.33Å; L684-N688 PolarHBondContact O-N 2.86Å; S685-N688 PolarHBondContact O-N 3.31Å; S685-N688 VanDerWaalsContact O-N 3.15Å; N688-L691 PolarHBondContact O-N 3.03Å; N688-G692 PolarHBondContact O-N 2.86Å
689E91.4Very high92.4Very high82 Ų8230.8 Ų30.838%0.38316%0.163SC..Hα-helixtrans-61.6-49.1173.1-172.2-174.9168.500111.5S685 L691 G692 K693 A725S685-E689 WeakPolarHBondContact O-CB 3.47Å; S685-E689 PolarHBondContact O-N 2.79Å; E689-L691 VanDerWaalsContact C-N 3.32Å; E689-L691 PolarHBondContact O-N 2.72Å; E689-G692 WeakPolarHBondContact O-CA 3.26Å; E689-G692 PolarHBondContact O-N 3.09Å; E689-K693 PolarHBondContact O-N 3.29Å; E689-A725 HydrophobicContact CG-CB 4.02Å
690A96.1Very high92.3Very high1 Ų132 Ų321%0.00817%0.17CC..Hα-helixtrans-56.2-45.9175.800000111.7K686 Q687 G692 K693 M694 A725 L726 L729K686-A690 WeakPolarHBondContact O-CB 3.5Å; K686-A690 PolarHBondContact O-N 3.16Å; Q687-A690 PolarHBondContact O-N 2.91Å; A690-G692 VanDerWaalsContact C-N 3.31Å; A690-G692 PolarHBondContact O-N 3.5Å; A690-K693 PolarHBondContact O-N 2.91Å; A690-M694 HydrophobicContact CB-CE 4.28Å; A690-M694 VanDerWaalsContact O-CG 3.25Å; A690-M694 WeakPolarHBondContact O-CG 3.46Å; A690-M694 PolarHBondContact O-N 2.97Å; A690-A725 VanDerWaalsContact CB-O 3.26Å; A690-A725 WeakPolarHBondContact CB-O 3.49Å; A690-L726 HydrophobicContact CB-CD2 4.14Å; A690-L729 HydrophobicContact CB-CD1 3.54Å
691L96.3Very high92Very high7 Ų732.8 Ų32.84%0.03718%0.175CC..Hα-helixtrans-62.3-37.2175.7-74.5168000112.5W651 Q687 N688 E689 M694 K695 F775 T815 M819 L821W651-L691 HydrophobicContact CH2-CD1 3.31Å; W651-L691 HydrophobicContact CZ2-CD1 4.15Å; W651-L691 HydrophobicContact CZ3-CD1 3.57Å; Q687-L691 WeakPolarHBondContact O-CG 3.38Å; Q687-L691 PolarHBondContact O-N 2.95Å; N688-L691 PolarHBondContact O-N 3.03Å; E689-L691 VanDerWaalsContact C-N 3.32Å; E689-L691 PolarHBondContact O-N 2.72Å; L691-M694 HydrophobicContact CD2-SD 4.42Å; L691-M694 PolarHBondContact O-N 3.38Å; L691-K695 WeakPolarHBondContact O-CB 3.08Å; L691-K695 PolarHBondContact O-N 3.47Å; L691-F775 HydrophobicContact CD2-CD2 4.11Å; L691-F775 HydrophobicContact CD2-CE2 3.9Å; L691-T815 HydrophobicContact CD1-CG2 3.92Å; L691-T815 HydrophobicContact CD2-CG2 4.3Å; L691-M819 HydrophobicContact CB-CE 4.42Å; L691-M819 HydrophobicContact CD2-CE 4.41Å; L691-L821 HydrophobicContact CD2-CD1 4.11Å; L691-L821 HydrophobicContact CD2-CD2 4.2Å; L691-L821 HydrophobicContact CD2-CG 4.12Å
692G92.6Very high91.8Very high41 Ų4136.2 Ų36.242%0.42319%0.19SC..Hα-helixtrans-60.7-46.2173.400000112.2N688 E689 A690 K695 A696N688-G692 PolarHBondContact O-N 2.86Å; E689-G692 WeakPolarHBondContact O-CA 3.26Å; E689-G692 PolarHBondContact O-N 3.09Å; A690-G692 VanDerWaalsContact C-N 3.31Å; A690-G692 PolarHBondContact O-N 3.5Å; G692-K695 PolarHBondContact O-N 3.04Å; G692-A696 PolarHBondContact O-N 3.4Å
693K91.9Very high91.1Very high18 Ų1836.3 Ų36.38%0.07820%0.2CC..Hα-helixtrans-64.9-43.6175.3-66.8-72.3-177.1175.10111.7D91 E689 A690 K695 A696 L697 S721 Y722 A725 L726D91-K693 IonicContact OD1-NZ 3.15Å; E689-K693 PolarHBondContact O-N 3.29Å; A690-K693 PolarHBondContact O-N 2.91Å; K693-K695 VanDerWaalsContact C-N 3.33Å; K693-K695 PolarHBondContact O-N 2.88Å; K693-A696 PolarHBondContact O-N 3.16Å; K693-L697 WeakPolarHBondContact O-CG 3.41Å; K693-L697 PolarHBondContact O-N 3.36Å; K693-S721 PolarHBondContact NZ-OG 2.59Å; K693-S721 VanDerWaalsContact NZ-OG 3.15Å; K693-Y722 HydrophobicContact CB-CD1 3.8Å; K693-Y722 HydrophobicContact CB-CE1 3.59Å; K693-Y722 HydrophobicContact CD-CD1 3.98Å; K693-Y722 HydrophobicContact CD-CD2 4.47Å; K693-Y722 HydrophobicContact CD-CE1 3.74Å; K693-Y722 HydrophobicContact CD-CE2 4.29Å; K693-Y722 HydrophobicContact CD-CG 4.35Å; K693-Y722 HydrophobicContact CG-CD1 4.26Å; K693-Y722 HydrophobicContact CG-CE1 4.18Å; K693-Y722 WeakPolarHBondContact O-CE1 3.28Å; K693-A725 HydrophobicContact CG-CB 3.75Å; K693-L726 HydrophobicContact CB-CD2 4.2Å
694M95.6Very high89.4Confident4 Ų437 Ų372%0.0221%0.213CC..Hα-helixtrans-60.6-41.3174.9-67.9177-162.600112.2A690 L691 L697 S698 L726 L757 L759 I773 F775 L821A690-M694 HydrophobicContact CB-CE 4.28Å; A690-M694 VanDerWaalsContact O-CG 3.25Å; A690-M694 WeakPolarHBondContact O-CG 3.46Å; A690-M694 PolarHBondContact O-N 2.97Å; L691-M694 HydrophobicContact CD2-SD 4.42Å; L691-M694 PolarHBondContact O-N 3.38Å; M694-L697 PolarHBondContact O-N 2.88Å; M694-S698 WeakPolarHBondContact O-CB 3.19Å; M694-S698 PolarHBondContact O-N 3.18Å; M694-L726 HydrophobicContact CE-CD2 3.7Å; M694-L726 HydrophobicContact CG-CD2 3.76Å; M694-L757 WeakPolarHBondContact O-CD1 3.33Å; M694-L759 HydrophobicContact CE-CD1 3.84Å; M694-L759 HydrophobicContact CG-CD1 3.79Å; M694-L759 HydrophobicContact SD-CD1 3.76Å; M694-I773 HydrophobicContact CE-CD1 3.86Å; M694-I773 HydrophobicContact SD-CD1 4.48Å; M694-F775 HydrophobicContact CB-CB 4.36Å; M694-F775 HydrophobicContact CB-CD1 3.87Å; M694-F775 HydrophobicContact CB-CD2 3.72Å; M694-F775 HydrophobicContact CB-CE1 4.01Å; M694-F775 HydrophobicContact CB-CE2 3.86Å; M694-F775 HydrophobicContact CB-CG 3.72Å; M694-F775 HydrophobicContact CB-CZ 4.01Å; M694-F775 HydrophobicContact CG-CD2 4.38Å; M694-F775 HydrophobicContact CG-CG 4.39Å; M694-F775 WeakPolarHBondContact O-CE1 3.47Å; M694-F775 HydrophobicContact SD-CB 4.04Å; M694-F775 HydrophobicContact SD-CD2 3.82Å; M694-F775 HydrophobicContact SD-CG 4.11Å; M694-L821 HydrophobicContact SD-CD2 4.09Å
695K93.2Very high87Confident78 Ų7843.4 Ų43.434%0.33926%0.258SS..Hα-helixtrans-61.5-48.6175175.3167.9170.245.50111.3L691 G692 K693 L697 S698 D699 F775 M819L691-K695 WeakPolarHBondContact O-CB 3.08Å; L691-K695 PolarHBondContact O-N 3.47Å; G692-K695 PolarHBondContact O-N 3.04Å; K693-K695 VanDerWaalsContact C-N 3.33Å; K693-K695 PolarHBondContact O-N 2.88Å; K695-L697 VanDerWaalsContact C-N 3.35Å; K695-L697 PolarHBondContact O-N 3.46Å; K695-S698 PolarHBondContact O-N 2.96Å; K695-S698 VanDerWaalsContact O-N 3.16Å; K695-D699 WeakPolarHBondContact CG-OD2 3.3Å; K695-D699 IonicContact NZ-OD1 2.67Å; K695-D699 PolarHBondContact NZ-OD1 3.36Å; K695-D699 IonicContact NZ-OD2 3.65Å; K695-D699 PolarHBondContact NZ-OD2 3.45Å; K695-D699 VanDerWaalsContact O-CG 3.32Å; K695-D699 PolarHBondContact O-N 2.99Å; K695-F775 HydrophobicContact CB-CZ 4Å; K695-M819 HydrophobicContact CD-SD 4.19Å
696A89.8Confident85.3Confident29 Ų2950.2 Ų50.224%0.2429%0.286CS..Hα-helixtrans-57.2-47.2177.400000111.5G692 K693 S698 D699 I700G692-A696 PolarHBondContact O-N 3.4Å; K693-A696 PolarHBondContact O-N 3.16Å; A696-S698 VanDerWaalsContact C-N 3.34Å; A696-S698 PolarHBondContact O-N 2.96Å; A696-D699 PolarHBondContact O-N 3Å; A696-I700 VanDerWaalsContact O-CG1 3.25Å; A696-I700 WeakPolarHBondContact O-CG1 3.31Å; A696-I700 PolarHBondContact O-N 3.11Å
697L89.6Confident84Confident0 Ų055.9 Ų55.90%031%0.311CS..Hα-helixtrans-58.7-45.5175.3-70.5169.5000111.9K693 M694 K695 D699 I700 V701 L713 C716 I717 Y722 L726 L757K693-L697 WeakPolarHBondContact O-CG 3.41Å; K693-L697 PolarHBondContact O-N 3.36Å; M694-L697 PolarHBondContact O-N 2.88Å; K695-L697 VanDerWaalsContact C-N 3.35Å; K695-L697 PolarHBondContact O-N 3.46Å; L697-D699 VanDerWaalsContact C-N 3.34Å; L697-D699 PolarHBondContact O-N 3.36Å; L697-I700 PolarHBondContact O-N 2.84Å; L697-V701 VanDerWaalsContact O-CG2 3.3Å; L697-V701 WeakPolarHBondContact O-CG2 3.48Å; L697-V701 PolarHBondContact O-N 3.04Å; L697-L713 HydrophobicContact CB-CD1 4.42Å; L697-L713 HydrophobicContact CD2-CD1 4.17Å; L697-C716 HydrophobicContact CD2-CB 3.69Å; L697-I717 HydrophobicContact CD1-CG1 4.04Å; L697-Y722 HydrophobicContact CD1-CD1 3.8Å; L697-Y722 HydrophobicContact CD1-CE1 3.62Å; L697-Y722 HydrophobicContact CD2-CD1 4.29Å; L697-Y722 HydrophobicContact CD2-CE1 3.72Å; L697-Y722 HydrophobicContact CG-CD1 4.09Å; L697-Y722 HydrophobicContact CG-CE1 3.41Å; L697-Y722 VanDerWaalsContact CG-CE1 3.41Å; L697-L726 HydrophobicContact CD1-CD1 4.33Å; L697-L757 HydrophobicContact CB-CD1 3.8Å
698S91.4Very high83Confident0 Ų057.4 Ų57.40%032%0.319CS..Hα-helixtrans-64.1-39.6179.7179.80000112.4M694 K695 A696 V701 K702 N777M694-S698 WeakPolarHBondContact O-CB 3.19Å; M694-S698 PolarHBondContact O-N 3.18Å; K695-S698 PolarHBondContact O-N 2.96Å; K695-S698 VanDerWaalsContact O-N 3.16Å; A696-S698 VanDerWaalsContact C-N 3.34Å; A696-S698 PolarHBondContact O-N 2.96Å; S698-V701 PolarHBondContact O-N 3.21Å; S698-K702 VanDerWaalsContact O-CG 3.29Å; S698-K702 WeakPolarHBondContact O-CG 3.44Å; S698-K702 PolarHBondContact O-N 2.78Å; S698-K702 VanDerWaalsContact O-N 3.17Å; S698-N777 WeakPolarHBondContact OG-CB 3.37Å; S698-N777 PolarHBondContact OG-ND2 2.92Å
699D88.4Confident82.6Confident52 Ų5258.6 Ų58.628%0.27833%0.327SS..Hα-helixtrans-66.5-39.9177.7-68.5-22.4000110.5K695 A696 L697 K702 T703 N777K695-D699 WeakPolarHBondContact CG-OD2 3.3Å; K695-D699 IonicContact NZ-OD1 2.67Å; K695-D699 PolarHBondContact NZ-OD1 3.36Å; K695-D699 IonicContact NZ-OD2 3.65Å; K695-D699 PolarHBondContact NZ-OD2 3.45Å; K695-D699 VanDerWaalsContact O-CG 3.32Å; K695-D699 PolarHBondContact O-N 2.99Å; A696-D699 PolarHBondContact O-N 3Å; L697-D699 VanDerWaalsContact C-N 3.34Å; L697-D699 PolarHBondContact O-N 3.36Å; D699-K702 PolarHBondContact O-N 2.69Å; D699-T703 WeakPolarHBondContact O-CB 3.21Å; D699-T703 WeakPolarHBondContact O-CG2 3.48Å; D699-T703 PolarHBondContact O-N 2.94Å; D699-T703 PolarHBondContact O-OG1 3.45Å; D699-N777 PolarHBondContact OD1-ND2 2.8Å
700I83.9Confident82.4Confident63 Ų6357.1 Ų57.132%0.32332%0.324SS..Hα-helixtrans-61.8-47.5173.9-63.5163000111.1A696 L697 K702 T703 G704 M708A696-I700 VanDerWaalsContact O-CG1 3.25Å; A696-I700 WeakPolarHBondContact O-CG1 3.31Å; A696-I700 PolarHBondContact O-N 3.11Å; L697-I700 PolarHBondContact O-N 2.84Å; I700-K702 PolarHBondContact O-N 3.07Å; I700-K702 VanDerWaalsContact O-N 3.14Å; I700-T703 PolarHBondContact O-N 2.91Å; I700-G704 PolarHBondContact O-N 2.85Å; I700-M708 HydrophobicContact CB-CE 4.24Å; I700-M708 HydrophobicContact CG2-CE 3.69Å; I700-M708 HydrophobicContact CG2-SD 3.46Å; I700-M708 WeakPolarHBondContact CG2-SD 3.3Å
701V86.4Confident82Confident19 Ų1961.6 Ų61.612%0.11535%0.348CS..Hα-helixtrans-55.9-32.6176.7173.20000111.8L697 S698 M708 L713 F749 K755 L757L697-V701 VanDerWaalsContact O-CG2 3.3Å; L697-V701 WeakPolarHBondContact O-CG2 3.48Å; L697-V701 PolarHBondContact O-N 3.04Å; S698-V701 PolarHBondContact O-N 3.21Å; V701-M708 HydrophobicContact CB-CE 4.07Å; V701-M708 HydrophobicContact CG2-CE 3.19Å; V701-L713 HydrophobicContact CG2-CD1 4.43Å; V701-F749 HydrophobicContact CG1-CB 4.26Å; V701-F749 HydrophobicContact CG1-CD1 4Å; V701-F749 HydrophobicContact CG1-CD2 4.12Å; V701-F749 HydrophobicContact CG1-CE1 4.37Å; V701-F749 HydrophobicContact CG1-CE2 4.48Å; V701-F749 HydrophobicContact CG1-CG 3.86Å; V701-F749 HydrophobicContact CG2-CD1 4.15Å; V701-K755 HydrophobicContact CG1-CB 3.61Å; V701-K755 HydrophobicContact CG1-CG 4.08Å; V701-L757 HydrophobicContact CG2-CD2 4.02Å
702K85.6Confident81.6Confident73 Ų7364.3 Ų64.332%0.31736%0.362SS..Hα-helixtrans-86.7-33.6-179-69.9168.7-177.7173.40114.4S698 D699 I700 M754 N777S698-K702 VanDerWaalsContact O-CG 3.29Å; S698-K702 WeakPolarHBondContact O-CG 3.44Å; S698-K702 PolarHBondContact O-N 2.78Å; S698-K702 VanDerWaalsContact O-N 3.17Å; D699-K702 PolarHBondContact O-N 2.69Å; I700-K702 PolarHBondContact O-N 3.07Å; I700-K702 VanDerWaalsContact O-N 3.14Å; K702-M754 WeakPolarHBondContact CE-O 3.39Å; K702-N777 WeakPolarHBondContact CE-O 3.38Å; K702-N777 PolarHBondContact NZ-ND2 2.83Å; K702-N777 PolarHBondContact NZ-O 3.26Å
703T73.3Confident81.4Confident106 Ų10662.4 Ų62.465%0.6534%0.342SS*.Hα-helixtrans-97.7-11.1-168.452.40000114.4D699 I700 S705D699-T703 WeakPolarHBondContact O-CB 3.21Å; D699-T703 WeakPolarHBondContact O-CG2 3.48Å; D699-T703 PolarHBondContact O-N 2.94Å; D699-T703 PolarHBondContact O-OG1 3.45Å; I700-T703 PolarHBondContact O-N 2.91Å; T703-S705 PolarHBondContact O-N 3.4Å
704G58.7Low81.4Confident42 Ų4263.4 Ų63.443%0.43335%0.347SS..  trans-57.1116.8-177.200000114.3I700 Q706I700-G704 PolarHBondContact O-N 2.85Å; G704-Q706 CarbonylContact C-O 3.55Å; G704-Q706 PolarHBondContact O-N 3.15Å
705S45.5Very low81.1Confident136 Ų13668.4 Ų68.495%0.95137%0.373SS*.SBendtrans-65-22.7170.3-44.90000112.5T703T703-S705 PolarHBondContact O-N 3.4Å
706Q55.4Low80.9Confident174 Ų17465.7 Ų65.781%0.81336%0.363SS*.SBendtrans-100.8137.9160.2-78.8171.2-20.300108.5G704 M708G704-Q706 CarbonylContact C-O 3.55Å; G704-Q706 PolarHBondContact O-N 3.15Å; Q706-M708 PolarHBondContact O-N 3.22Å
707K68.1Low81Confident204 Ų20464.3 Ų64.389%0.88735%0.352SS*.  trans-61.199.1177.1-73.4178.5179.3173.80109.4T709K707-T709 PolarHBondContact O-N 3.01Å
708M75.9Confident81.1Confident34 Ų3469.6 Ų69.617%0.16737%0.372CS..  trans-59.1126174.1-168.7160.481.700109.5I700 V701 Q706 D712I700-M708 HydrophobicContact CB-CE 4.24Å; I700-M708 HydrophobicContact CG2-CE 3.69Å; I700-M708 HydrophobicContact CG2-SD 3.46Å; I700-M708 WeakPolarHBondContact CG2-SD 3.3Å; V701-M708 HydrophobicContact CB-CE 4.07Å; V701-M708 HydrophobicContact CG2-CE 3.19Å; Q706-M708 PolarHBondContact O-N 3.22Å; M708-D712 HydrophobicContact CG-CB 3.5Å; M708-D712 VanDerWaalsContact CG-CB 3.5Å; M708-D712 HydrophobicContact SD-CB 4.16Å
709T85.7Confident80.8Confident67 Ų6772.6 Ų72.641%0.41139%0.386SS..  trans-84.9168.8-179.969.90000110.9K707 D711 D712 L713K707-T709 PolarHBondContact O-N 3.01Å; T709-D711 PolarHBondContact O-N 3.49Å; T709-D711 PolarHBondContact OG1-N 2.67Å; T709-D712 WeakPolarHBondContact CB-OD2 3.28Å; T709-D712 PolarHBondContact N-OD2 2.82Å; T709-D712 PolarHBondContact O-N 2.94Å; T709-D712 PolarHBondContact OG1-N 2.72Å; T709-D712 PolarHBondContact OG1-OD2 3.37Å; T709-L713 PolarHBondContact O-N 3.25Å
710V86.4Confident80.7Confident52 Ų5276.3 Ų76.332%0.31540%0.402SS..Hα-helixtrans-64.4-30.6172.9174.90000110.9L713 K714 R748 F749V710-L713 WeakPolarHBondContact O-CB 3.13Å; V710-L713 PolarHBondContact O-N 3.44Å; V710-K714 WeakPolarHBondContact O-CG 3.31Å; V710-K714 PolarHBondContact O-N 3.45Å; V710-K714 VanDerWaalsContact O-N 3.14Å; V710-R748 HydrophobicContact CG1-CB 4.22Å; V710-F749 HydrophobicContact CG2-CD1 4.4Å; V710-F749 HydrophobicContact CG2-CE1 3.94Å; V710-F749 HydrophobicContact CG2-CZ 4.23Å
711D88Confident80.7Confident95 Ų9574.1 Ų74.151%0.50839%0.392SS..Hα-helixtrans-74.2-34.2179.3-65.9-36.1000112.3T709 K714 L715T709-D711 PolarHBondContact O-N 3.49Å; T709-D711 PolarHBondContact OG1-N 2.67Å; D711-K714 WeakPolarHBondContact O-CB 3.34Å; D711-K714 PolarHBondContact O-N 3.48Å; D711-K714 IonicContact OD1-NZ 2.7Å; D711-K714 PolarHBondContact OD1-NZ 3.49Å; D711-L715 WeakPolarHBondContact O-CG 3.32Å; D711-L715 PolarHBondContact O-N 3.24Å
712D87.3Confident80.8Confident64 Ų6473.9 Ų73.934%0.34239%0.389SS..Hα-helixtrans-61.2-44.2170.5-58.3-42.9000111.1M708 T709 K714 L715 C716M708-D712 HydrophobicContact CG-CB 3.5Å; M708-D712 VanDerWaalsContact CG-CB 3.5Å; M708-D712 HydrophobicContact SD-CB 4.16Å; T709-D712 WeakPolarHBondContact CB-OD2 3.28Å; T709-D712 PolarHBondContact N-OD2 2.82Å; T709-D712 PolarHBondContact O-N 2.94Å; T709-D712 PolarHBondContact OG1-N 2.72Å; T709-D712 PolarHBondContact OG1-OD2 3.37Å; D712-K714 VanDerWaalsContact C-N 3.28Å; D712-K714 PolarHBondContact O-N 3.35Å; D712-L715 WeakPolarHBondContact O-CB 3.41Å; D712-L715 PolarHBondContact O-N 3.14Å; D712-L715 VanDerWaalsContact O-N 3.11Å; D712-C716 PolarHBondContact O-N 3.32Å; D712-C716 PolarHBondContact O-SG 3.27Å; D712-C716 VanDerWaalsContact O-SG 3.35Å
713L89.7Confident81.1Confident0 Ų073.5 Ų73.50%039%0.39CS..Hα-helixtrans-56.3-44173.8175.470.6000111.2L697 V701 T709 V710 L715 C716 I717 F749 L757L697-L713 HydrophobicContact CB-CD1 4.42Å; L697-L713 HydrophobicContact CD2-CD1 4.17Å; V701-L713 HydrophobicContact CG2-CD1 4.43Å; T709-L713 PolarHBondContact O-N 3.25Å; V710-L713 WeakPolarHBondContact O-CB 3.13Å; V710-L713 PolarHBondContact O-N 3.44Å; L713-L715 VanDerWaalsContact C-N 3.32Å; L713-L715 PolarHBondContact O-N 3.18Å; L713-C716 PolarHBondContact O-N 3.05Å; L713-I717 HydrophobicContact CD1-CD1 4.18Å; L713-I717 HydrophobicContact CD1-CG1 4.48Å; L713-I717 HydrophobicContact CD2-CD1 4.49Å; L713-I717 HydrophobicContact CG-CD1 3.97Å; L713-I717 WeakPolarHBondContact O-CG1 3.46Å; L713-I717 PolarHBondContact O-N 3.42Å; L713-F749 HydrophobicContact CD2-CD1 4.16Å; L713-L757 HydrophobicContact CD1-CD2 4.46Å
714K92.3Very high81.9Confident40 Ų4074.3 Ų74.317%0.17439%0.386CS..Hα-helixtrans-63.7-38.6178.2-65.3172.5-171154.90111.6V710 D711 D712 I717 R718 A744V710-K714 WeakPolarHBondContact O-CG 3.31Å; V710-K714 PolarHBondContact O-N 3.45Å; V710-K714 VanDerWaalsContact O-N 3.14Å; D711-K714 WeakPolarHBondContact O-CB 3.34Å; D711-K714 PolarHBondContact O-N 3.48Å; D711-K714 IonicContact OD1-NZ 2.7Å; D711-K714 PolarHBondContact OD1-NZ 3.49Å; D712-K714 VanDerWaalsContact C-N 3.28Å; D712-K714 PolarHBondContact O-N 3.35Å; K714-I717 PolarHBondContact O-N 3.22Å; K714-R718 VanDerWaalsContact O-CG 3.31Å; K714-R718 WeakPolarHBondContact O-CG 3.16Å; K714-R718 PolarHBondContact O-N 3.24Å; K714-R718 VanDerWaalsContact O-N 3.13Å; K714-A744 WeakPolarHBondContact CG-O 3.17Å
715L89.3Confident83.4Confident109 Ų10972.6 Ų72.657%0.57137%0.369SS*.Hα-helixtrans-63.5-44.5175.7-71.9169.4000111.3D711 D712 L713 I717 R718 Q719D711-L715 WeakPolarHBondContact O-CG 3.32Å; D711-L715 PolarHBondContact O-N 3.24Å; D712-L715 WeakPolarHBondContact O-CB 3.41Å; D712-L715 PolarHBondContact O-N 3.14Å; D712-L715 VanDerWaalsContact O-N 3.11Å; L713-L715 VanDerWaalsContact C-N 3.32Å; L713-L715 PolarHBondContact O-N 3.18Å; L715-I717 PolarHBondContact O-N 3.44Å; L715-R718 PolarHBondContact O-N 3.48Å; L715-Q719 PolarHBondContact O-N 3.45Å
716C88.8Confident85.8Confident20 Ų2066.1 Ų66.114%0.13532%0.323CS..Hα-helixtrans-60.7-44.8175.9-61.90000112L697 D712 L713 R718 Q719L697-C716 HydrophobicContact CD2-CB 3.69Å; D712-C716 PolarHBondContact O-N 3.32Å; D712-C716 PolarHBondContact O-SG 3.27Å; D712-C716 VanDerWaalsContact O-SG 3.35Å; L713-C716 PolarHBondContact O-N 3.05Å; C716-R718 PolarHBondContact O-N 3.38Å; C716-Q719 WeakPolarHBondContact O-CB 3.43Å; C716-Q719 WeakPolarHBondContact O-CG 3.46Å; C716-Q719 PolarHBondContact O-N 3.43Å; C716-Q719 VanDerWaalsContact O-N 3.16Å
717I91Very high87.7Confident0 Ų058.8 Ų58.80%029%0.291CS..Hα-helixtrans-62-32.7178.4-68.6169.5000111.7L697 L713 K714 L715 Q719 L723 I742 A744 C747 L759L697-I717 HydrophobicContact CD1-CG1 4.04Å; L713-I717 HydrophobicContact CD1-CD1 4.18Å; L713-I717 HydrophobicContact CD1-CG1 4.48Å; L713-I717 HydrophobicContact CD2-CD1 4.49Å; L713-I717 HydrophobicContact CG-CD1 3.97Å; L713-I717 WeakPolarHBondContact O-CG1 3.46Å; L713-I717 PolarHBondContact O-N 3.42Å; K714-I717 PolarHBondContact O-N 3.22Å; L715-I717 PolarHBondContact O-N 3.44Å; I717-Q719 VanDerWaalsContact C-N 3.25Å; I717-Q719 PolarHBondContact O-N 3.09Å; I717-L723 WeakPolarHBondContact O-CD2 3.44Å; I717-L723 WeakPolarHBondContact O-CG 3.48Å; I717-I742 HydrophobicContact CG2-CD1 3.86Å; I717-I742 HydrophobicContact CG2-CG1 4.24Å; I717-I742 HydrophobicContact CG2-CG2 3.99Å; I717-A744 HydrophobicContact CB-CB 4.29Å; I717-A744 HydrophobicContact CG2-CB 3.82Å; I717-C747 HydrophobicContact CD1-CB 3.73Å; I717-L759 HydrophobicContact CD1-CD2 4.38Å
718R91.5Very high88.9Confident112 Ų11253.4 Ų53.442%0.42327%0.272SS..THydrogen-bonded Turntrans-76.3-7179.6-72.3-175.5-162.2108-7.5114.2K714 L715 C716 L723 A744 D745K714-R718 VanDerWaalsContact O-CG 3.31Å; K714-R718 WeakPolarHBondContact O-CG 3.16Å; K714-R718 PolarHBondContact O-N 3.24Å; K714-R718 VanDerWaalsContact O-N 3.13Å; L715-R718 PolarHBondContact O-N 3.48Å; C716-R718 PolarHBondContact O-N 3.38Å; R718-L723 WeakPolarHBondContact O-CD1 3.39Å; R718-A744 HydrophobicContact CG-CB 4Å; R718-D745 IonicContact CZ-OD1 3.22Å; R718-D745 IonicContact NH2-OD1 3.35Å; R718-D745 PolarHBondContact NH2-OD1 2.76Å
719Q86.3Confident89.7Confident62 Ų6252.1 Ų52.129%0.2927%0.266SS..SBendtrans-62.6141170.9-64.6176.9-2.900109.9D15 L715 C716 I717 S721 Y722 L723D15-Q719 PolarHBondContact OD2-NE2 2.89Å; D15-Q719 VanDerWaalsContact OD2-NE2 3.1Å; L715-Q719 PolarHBondContact O-N 3.45Å; C716-Q719 WeakPolarHBondContact O-CB 3.43Å; C716-Q719 WeakPolarHBondContact O-CG 3.46Å; C716-Q719 PolarHBondContact O-N 3.43Å; C716-Q719 VanDerWaalsContact O-N 3.16Å; I717-Q719 VanDerWaalsContact C-N 3.25Å; I717-Q719 PolarHBondContact O-N 3.09Å; Q719-S721 VanDerWaalsContact C-N 3.31Å; Q719-S721 PolarHBondContact O-N 2.69Å; Q719-Y722 HydrophobicContact CB-CD2 4.17Å; Q719-Y722 PolarHBondContact O-N 3.23Å; Q719-L723 PolarHBondContact O-N 3.3Å
720E85.4Confident90.1Very high130 Ų13049.4 Ų49.461%0.60725%0.249SC*.Hα-helixtrans-55.3-44.3-174.4-171.5-175.1-157.700112.6R88 Y722 L723 E724R88-E720 IonicContact NH1-OE2 2.68Å; R88-E720 IonicContact NH2-OE2 3.48Å; E720-Y722 PolarHBondContact O-N 3.13Å; E720-L723 PolarHBondContact O-N 3.4Å; E720-E724 WeakPolarHBondContact O-CB 3.38Å; E720-E724 PolarHBondContact O-N 3.19Å
721S83.8Confident90.6Very high17 Ų1747.2 Ų47.212%0.11924%0.236CC..Hα-helixtrans-65.2-24.8179.781.60000113.9K693 Q719 A725K693-S721 PolarHBondContact NZ-OG 2.59Å; K693-S721 VanDerWaalsContact NZ-OG 3.15Å; Q719-S721 VanDerWaalsContact C-N 3.31Å; Q719-S721 PolarHBondContact O-N 2.69Å; S721-A725 VanDerWaalsContact O-CB 3.3Å; S721-A725 WeakPolarHBondContact O-CB 3.38Å; S721-A725 PolarHBondContact O-N 3.17Å
722Y88.9Confident91.1Very high15 Ų1542.9 Ų42.96%0.05921%0.213CC..Hα-helixtrans-84.7-41.6175.5-86-85.2000111.2K693 L697 Q719 E720 L726K693-Y722 HydrophobicContact CB-CD1 3.8Å; K693-Y722 HydrophobicContact CB-CE1 3.59Å; K693-Y722 HydrophobicContact CD-CD1 3.98Å; K693-Y722 HydrophobicContact CD-CD2 4.47Å; K693-Y722 HydrophobicContact CD-CE1 3.74Å; K693-Y722 HydrophobicContact CD-CE2 4.29Å; K693-Y722 HydrophobicContact CD-CG 4.35Å; K693-Y722 HydrophobicContact CG-CD1 4.26Å; K693-Y722 HydrophobicContact CG-CE1 4.18Å; K693-Y722 WeakPolarHBondContact O-CE1 3.28Å; L697-Y722 HydrophobicContact CD1-CD1 3.8Å; L697-Y722 HydrophobicContact CD1-CE1 3.62Å; L697-Y722 HydrophobicContact CD2-CD1 4.29Å; L697-Y722 HydrophobicContact CD2-CE1 3.72Å; L697-Y722 HydrophobicContact CG-CD1 4.09Å; L697-Y722 HydrophobicContact CG-CE1 3.41Å; L697-Y722 VanDerWaalsContact CG-CE1 3.41Å; Q719-Y722 HydrophobicContact CB-CD2 4.17Å; Q719-Y722 PolarHBondContact O-N 3.23Å; E720-Y722 PolarHBondContact O-N 3.13Å; Y722-L726 HydrophobicContact CD1-CD1 4.08Å; Y722-L726 WeakPolarHBondContact O-CB 3.48Å; Y722-L726 WeakPolarHBondContact O-CG 3.4Å; Y722-L726 PolarHBondContact O-N 2.91Å
723L91.1Very high91.5Very high65 Ų6540.8 Ų40.834%0.3420%0.202SC..Hα-helixtrans-60.7-45.2176.1-72.4177.9000111.6I717 R718 Q719 E720 S727 I742I717-L723 WeakPolarHBondContact O-CD2 3.44Å; I717-L723 WeakPolarHBondContact O-CG 3.48Å; R718-L723 WeakPolarHBondContact O-CD1 3.39Å; Q719-L723 PolarHBondContact O-N 3.3Å; E720-L723 PolarHBondContact O-N 3.4Å; L723-S727 WeakPolarHBondContact O-CB 3.43Å; L723-S727 PolarHBondContact O-N 3.38Å; L723-S727 VanDerWaalsContact O-N 3.15Å; L723-S727 PolarHBondContact O-OG 3.25Å; L723-I742 HydrophobicContact CD2-CG2 3.62Å
724E90Very high91.8Very high122 Ų12242.3 Ų42.357%0.5721%0.21SC*.Hα-helixtrans-63.4-51.6178.9-174177.5-171.400111.3R88 E720 L726 S727R88-E724 IonicContact CZ-OE2 3.7Å; R88-E724 IonicContact NE-OE2 2.83Å; R88-E724 IonicContact NH2-OE2 2.77Å; R88-E724 PolarHBondContact NH2-OE2 2.99Å; E720-E724 WeakPolarHBondContact O-CB 3.38Å; E720-E724 PolarHBondContact O-N 3.19Å; E724-L726 PolarHBondContact O-N 3.29Å; E724-S727 PolarHBondContact O-N 2.97Å
725A91.2Very high91.9Very high7 Ų741.2 Ų41.26%0.05821%0.206CC..Hα-helixtrans-69.2-31.2-176.900000113.7E689 A690 K693 S721E689-A725 HydrophobicContact CG-CB 4.02Å; A690-A725 VanDerWaalsContact CB-O 3.26Å; A690-A725 WeakPolarHBondContact CB-O 3.49Å; K693-A725 HydrophobicContact CG-CB 3.75Å; S721-A725 VanDerWaalsContact O-CB 3.3Å; S721-A725 WeakPolarHBondContact O-CB 3.38Å; S721-A725 PolarHBondContact O-N 3.17Å
726L95.7Very high92Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-91.3-2.5-179.4-60.4176.4000113A690 K693 M694 L697 Y722 E724 L729 I742 Y761A690-L726 HydrophobicContact CB-CD2 4.14Å; K693-L726 HydrophobicContact CB-CD2 4.2Å; M694-L726 HydrophobicContact CE-CD2 3.7Å; M694-L726 HydrophobicContact CG-CD2 3.76Å; L697-L726 HydrophobicContact CD1-CD1 4.33Å; Y722-L726 HydrophobicContact CD1-CD1 4.08Å; Y722-L726 WeakPolarHBondContact O-CB 3.48Å; Y722-L726 WeakPolarHBondContact O-CG 3.4Å; Y722-L726 PolarHBondContact O-N 2.91Å; E724-L726 PolarHBondContact O-N 3.29Å; L726-L729 VanDerWaalsContact C-CD2 3.43Å; L726-L729 WeakPolarHBondContact O-CD2 3.4Å; L726-I742 HydrophobicContact CB-CD1 3.99Å; L726-I742 HydrophobicContact CB-CG2 4.4Å; L726-I742 HydrophobicContact CD1-CD1 3.71Å; L726-I742 HydrophobicContact CG-CD1 4.46Å; L726-Y761 WeakPolarHBondContact O-CE1 3.49Å
727S94.7Very high92.2Very high20 Ų2036.6 Ų36.614%0.1418%0.183CC..SBendtrans-117.2166.6-178.7-56.50000111.7L723 E724 L729 F740 I742L723-S727 WeakPolarHBondContact O-CB 3.43Å; L723-S727 PolarHBondContact O-N 3.38Å; L723-S727 VanDerWaalsContact O-N 3.15Å; L723-S727 PolarHBondContact O-OG 3.25Å; E724-S727 PolarHBondContact O-N 2.97Å; S727-L729 PolarHBondContact O-N 3.08Å; S727-F740 VanDerWaalsContact CB-O 3.29Å; S727-F740 WeakPolarHBondContact CB-O 2.88Å; S727-I742 PolarHBondContact OG-N 3.36Å
728D93.1Very high92.3Very high91 Ų9138 Ų3849%0.48719%0.19SC..SBendtrans47.554.9-179.9-17349.4000114.4K686 L739 F740K686-D728 PolarHBondContact NZ-O 2.86Å; K686-D728 IonicContact NZ-OD2 3.98Å; K686-D728 PolarHBondContact NZ-OD2 2.79Å; D728-L739 WeakPolarHBondContact CA-O 3.3Å; D728-L739 PolarHBondContact N-O 2.97Å; D728-F740 PolarHBondContact N-O 3.39Å
729L94Very high92.4Very high6 Ų632.6 Ų32.63%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-135.2153.8179.474.5154.4000115.3Q687 A690 L726 S727 S731 L739Q687-L729 HydrophobicContact CG-CD1 4.48Å; A690-L729 HydrophobicContact CB-CD1 3.54Å; L726-L729 VanDerWaalsContact C-CD2 3.43Å; L726-L729 WeakPolarHBondContact O-CD2 3.4Å; S727-L729 PolarHBondContact O-N 3.08Å; L729-S731 PolarHBondContact O-N 2.75Å; L729-L739 HydrophobicContact CD1-CD1 4.33Å; L729-L739 HydrophobicContact CD2-CB 3.75Å; L729-L739 HydrophobicContact CD2-CD1 4.23Å; L729-L739 HydrophobicContact CG-CB 4.04Å; L729-L739 HydrophobicContact CG-CD1 4.09Å; L729-L739 HydrophobicContact CG-CG 4.47Å; L729-L739 PolarHBondContact N-O 2.81Å; L729-L739 VanDerWaalsContact N-O 3.15Å; L729-L739 PolarHBondContact O-N 3.03Å
730L94.6Very high92.7Very high11 Ų1134 Ų346%0.05818%0.175CC..EExtended strand (participates in β ladder)trans-55.2118.7164.459.884.4000111.7W247 L683 Q687 P732 V737 I738W247-L730 HydrophobicContact CB-CD2 4.5Å; W247-L730 HydrophobicContact CD2-CD2 3.56Å; W247-L730 HydrophobicContact CE3-CD1 4.11Å; W247-L730 HydrophobicContact CE3-CD2 3.72Å; W247-L730 HydrophobicContact CG-CD2 3.91Å; W247-L730 HydrophobicContact CZ2-CD2 4.36Å; W247-L730 HydrophobicContact CZ3-CD1 4.19Å; W247-L730 HydrophobicContact CZ3-CD2 4.2Å; L683-L730 HydrophobicContact CD1-CD1 4.38Å; Q687-L730 VanDerWaalsContact CG-O 3.23Å; Q687-L730 WeakPolarHBondContact CG-O 3.31Å; Q687-L730 PolarHBondContact NE2-O 3.36Å; L730-P732 WeakPolarHBondContact O-CD 3.32Å; L730-V737 WeakPolarHBondContact CB-O 3.31Å; L730-I738 HydrophobicContact CD2-CG1 4.09Å
731S96.3Very high93Very high5 Ų531.7 Ų31.74%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-63.6127.1170.2178.60000110.8L729 L733 N734 V737L729-S731 PolarHBondContact O-N 2.75Å; S731-L733 PolarHBondContact O-N 3.1Å; S731-L733 PolarHBondContact OG-N 2.85Å; S731-N734 WeakPolarHBondContact CB-O 3.48Å; S731-N734 CarbonylContact O-C 3.44Å; S731-N734 PolarHBondContact O-N 2.76Å; S731-N734 VanDerWaalsContact O-O 3.09Å; S731-V737 WeakPolarHBondContact CB-O 3.36Å; S731-V737 PolarHBondContact N-O 3.45Å
732P97.8Very high93.6Very high4 Ų431 Ų313%0.02616%0.159CC..THydrogen-bonded Turntrans-63.1-27.2174.8-2333.8000113.2H647 W651 Q687 L730 L813 L821H647-P732 PolarHBondContact NE2-O 2.89Å; W651-P732 HydrophobicContact CZ2-CB 4.42Å; Q687-P732 HydrophobicContact CB-CG 4.12Å; Q687-P732 HydrophobicContact CG-CG 3.95Å; L730-P732 WeakPolarHBondContact O-CD 3.32Å; P732-L813 HydrophobicContact CB-CD2 3.87Å; P732-L813 VanDerWaalsContact O-CD2 3.28Å; P732-L813 WeakPolarHBondContact O-CD2 3.46Å; P732-L821 HydrophobicContact CB-CD1 3.83Å; P732-L821 HydrophobicContact CG-CD1 3.68Å
733L97.1Very high93.8Very high21 Ų2131 Ų3111%0.1116%0.161CC..THydrogen-bonded Turntrans-70.1-33.9178.2-69.5167.3000112.6S731 I773 L813 L821 E823S731-L733 PolarHBondContact O-N 3.1Å; S731-L733 PolarHBondContact OG-N 2.85Å; L733-I773 HydrophobicContact CD1-CB 4.44Å; L733-I773 HydrophobicContact CD1-CG2 3.97Å; L733-L813 HydrophobicContact CD2-CB 3.77Å; L733-L821 HydrophobicContact CD1-CB 3.98Å; L733-L821 HydrophobicContact CD2-CB 3.92Å; L733-L821 HydrophobicContact CG-CB 3.87Å; L733-L821 HydrophobicContact CG-CD1 4.48Å; L733-E823 HydrophobicContact CD1-CB 4.13Å
734N94.9Very high93.9Very high32 Ų3228.3 Ų28.317%0.17115%0.148CC..EExtended strand (participates in β ladder)trans-153.2109.5174.7-175.5-11.3000109.4S731 S736 V737S731-N734 WeakPolarHBondContact CB-O 3.48Å; S731-N734 CarbonylContact O-C 3.44Å; S731-N734 PolarHBondContact O-N 2.76Å; S731-N734 VanDerWaalsContact O-O 3.09Å; N734-S736 PolarHBondContact O-N 3.3Å; N734-S736 WeakPolarHBondContact OD1-CB 3.36Å; N734-S736 PolarHBondContact OD1-N 3.4Å; N734-S736 PolarHBondContact OD1-OG 3.07Å; N734-V737 HydrophobicContact CB-CB 4.5Å; N734-V737 HydrophobicContact CB-CG2 4.03Å; N734-V737 PolarHBondContact O-N 3.3Å
735P94.3Very high94Very high16 Ų1627.7 Ų27.710%0.10415%0.149CC..EExtended strand (participates in β ladder)trans-67.2-8.7-176.428.8-35.6000113.9H647 V737H647-P735 HydrophobicContact CB-CG 4.32Å; P735-V737 VanDerWaalsContact C-N 3.33Å
736S92.4Very high94.1Very high14 Ų1432.9 Ų32.910%0.09817%0.17CC..EExtended strand (participates in β ladder)trans-77.9-17.6171-48.10000112.8E170 R246 W247 N734E170-S736 PolarHBondContact OE1-OG 3.1Å; E170-S736 VanDerWaalsContact OE1-OG 3.12Å; R246-S736 WeakPolarHBondContact CA-O 3.49Å; R246-S736 WeakPolarHBondContact CB-O 3.38Å; W247-S736 PolarHBondContact N-O 2.94Å; N734-S736 PolarHBondContact O-N 3.3Å; N734-S736 WeakPolarHBondContact OD1-CB 3.36Å; N734-S736 PolarHBondContact OD1-N 3.4Å; N734-S736 PolarHBondContact OD1-OG 3.07Å
737V92.1Very high94.1Very high18 Ų1833 Ų3311%0.10917%0.171CC..EExtended strand (participates in β ladder)trans-96.9125-176.2177.30000110.5L730 S731 N734 P735 V771L730-V737 WeakPolarHBondContact CB-O 3.31Å; S731-V737 WeakPolarHBondContact CB-O 3.36Å; S731-V737 PolarHBondContact N-O 3.45Å; N734-V737 HydrophobicContact CB-CB 4.5Å; N734-V737 HydrophobicContact CB-CG2 4.03Å; N734-V737 PolarHBondContact O-N 3.3Å; P735-V737 VanDerWaalsContact C-N 3.33Å; V737-V771 HydrophobicContact CG1-CG1 4.05Å; V737-V771 HydrophobicContact CG1-CG2 4.21Å
738I92.3Very high94Very high29 Ų2938.1 Ų38.115%0.14919%0.187CC..EExtended strand (participates in β ladder)trans-89.5125177.8-50.2173.3000109.2L730 F740L730-I738 HydrophobicContact CD2-CG1 4.09Å; I738-F740 HydrophobicContact CG2-CB 4.35Å; I738-F740 PolarHBondContact O-N 2.89Å
739L93.9Very high94Very high0 Ų035.3 Ų35.30%017%0.171CC..EExtended strand (participates in β ladder)trans-89.990166.7-55.5-177.2000107.5D728 L729 Y761 V771 I773D728-L739 WeakPolarHBondContact CA-O 3.3Å; D728-L739 PolarHBondContact N-O 2.97Å; L729-L739 HydrophobicContact CD1-CD1 4.33Å; L729-L739 HydrophobicContact CD2-CB 3.75Å; L729-L739 HydrophobicContact CD2-CD1 4.23Å; L729-L739 HydrophobicContact CG-CB 4.04Å; L729-L739 HydrophobicContact CG-CD1 4.09Å; L729-L739 HydrophobicContact CG-CG 4.47Å; L729-L739 PolarHBondContact N-O 2.81Å; L729-L739 VanDerWaalsContact N-O 3.15Å; L729-L739 PolarHBondContact O-N 3.03Å; L739-Y761 HydrophobicContact CB-CD1 3.92Å; L739-Y761 HydrophobicContact CB-CD2 4.47Å; L739-Y761 HydrophobicContact CB-CE1 4.17Å; L739-Y761 HydrophobicContact CB-CG 4.09Å; L739-Y761 HydrophobicContact CD1-CE2 4.16Å; L739-Y761 HydrophobicContact CD2-CD2 3.79Å; L739-Y761 HydrophobicContact CD2-CE2 4.19Å; L739-Y761 HydrophobicContact CD2-CG 4.06Å; L739-Y761 HydrophobicContact CG-CD2 4.49Å; L739-V771 HydrophobicContact CD2-CG1 4.02Å; L739-I773 HydrophobicContact CD1-CD1 4.11Å
740F92.7Very high93.7Very high90 Ų9038.7 Ų38.740%0.39519%0.187SC..  trans-77.4-64.3-166.7179.8-114.9000113.5S727 D728 I738 P764S727-F740 VanDerWaalsContact CB-O 3.29Å; S727-F740 WeakPolarHBondContact CB-O 2.88Å; D728-F740 PolarHBondContact N-O 3.39Å; I738-F740 HydrophobicContact CG2-CB 4.35Å; I738-F740 PolarHBondContact O-N 2.89Å; F740-P764 HydrophobicContact CB-CG 3.81Å; F740-P764 HydrophobicContact CD2-CG 4.23Å; F740-P764 HydrophobicContact CG-CB 4.39Å; F740-P764 HydrophobicContact CG-CG 3.95Å
741E92.6Very high93.1Very high82 Ų8243.6 Ų43.638%0.38321%0.213SC..EExtended strand (participates in β ladder)trans-133.8125.1179.7-170.6-163149.400109.4C743 Y761 K762E741-C743 PolarHBondContact O-N 3.4Å; E741-Y761 CarbonylContact O-C 3.51Å; E741-Y761 VanDerWaalsContact O-CA 3.28Å; E741-Y761 WeakPolarHBondContact O-CA 3.44Å; E741-K762 HydrophobicContact CB-CB 4.42Å; E741-K762 HydrophobicContact CB-CD 4.42Å; E741-K762 PolarHBondContact O-N 2.99Å; E741-K762 IonicContact OE1-NZ 3.02Å; E741-K762 PolarHBondContact OE1-NZ 2.92Å; E741-K762 WeakPolarHBondContact OE2-CD 3.5Å; E741-K762 IonicContact OE2-NZ 3.14Å; E741-K762 PolarHBondContact OE2-NZ 3.34Å
742I95.1Very high92.3Very high4 Ų446.4 Ų46.42%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-69.5128.2176.1-167.9165.6000111.2I717 L723 L726 S727 A744 L759 Y761I717-I742 HydrophobicContact CG2-CD1 3.86Å; I717-I742 HydrophobicContact CG2-CG1 4.24Å; I717-I742 HydrophobicContact CG2-CG2 3.99Å; L723-I742 HydrophobicContact CD2-CG2 3.62Å; L726-I742 HydrophobicContact CB-CD1 3.99Å; L726-I742 HydrophobicContact CB-CG2 4.4Å; L726-I742 HydrophobicContact CD1-CD1 3.71Å; L726-I742 HydrophobicContact CG-CD1 4.46Å; S727-I742 PolarHBondContact OG-N 3.36Å; I742-A744 PolarHBondContact O-N 3.27Å; I742-L759 HydrophobicContact CD1-CD2 4.39Å; I742-Y761 HydrophobicContact CB-CD1 3.95Å; I742-Y761 HydrophobicContact CB-CE1 3.66Å; I742-Y761 HydrophobicContact CD1-CE1 4.11Å; I742-Y761 HydrophobicContact CG1-CD1 4.33Å; I742-Y761 HydrophobicContact CG1-CE1 3.87Å
743C93.8Very high91.4Very high14 Ų1455 Ų5510%0.09527%0.27CS..  trans-95.785.1178.5-172.40000109.6E741 D745 K746 C747 M760E741-C743 PolarHBondContact O-N 3.4Å; C743-D745 PolarHBondContact O-N 3.42Å; C743-D745 VanDerWaalsContact O-N 3.16Å; C743-K746 PolarHBondContact O-N 3.5Å; C743-C747 PolarHBondContact O-N 3.17Å; C743-C747 PolarHBondContact O-SG 2.85Å; C743-M760 PolarHBondContact N-O 3.08Å
744A93.5Very high90.9Very high9 Ų956 Ų567%0.07428%0.275CS..G310 helixtrans-50.3-42-177.100000112.5K714 I717 R718 I742 K746 C747K714-A744 WeakPolarHBondContact CG-O 3.17Å; I717-A744 HydrophobicContact CB-CB 4.29Å; I717-A744 HydrophobicContact CG2-CB 3.82Å; R718-A744 HydrophobicContact CG-CB 4Å; I742-A744 PolarHBondContact O-N 3.27Å; A744-K746 PolarHBondContact O-N 2.79Å; A744-K746 VanDerWaalsContact O-N 3.13Å; A744-C747 WeakPolarHBondContact O-CB 3.08Å; A744-C747 PolarHBondContact O-N 3.39Å
745D93.1Very high90.6Very high109 Ų10957.2 Ų57.258%0.58328%0.278SS*.G310 helixtrans-60.5-27.3-177.9-61.5-35.7000114R718 C743R718-D745 IonicContact CZ-OD1 3.22Å; R718-D745 IonicContact NH2-OD1 3.35Å; R718-D745 PolarHBondContact NH2-OD1 2.76Å; C743-D745 PolarHBondContact O-N 3.42Å; C743-D745 VanDerWaalsContact O-N 3.16Å
746K92.4Very high90.5Very high116 Ų11656.7 Ų56.750%0.50428%0.275SS..G310 helixtrans-99.80.9178.3-65.2-172.3179.2-170.60113.1C743 A744 M760 M770C743-K746 PolarHBondContact O-N 3.5Å; A744-K746 PolarHBondContact O-N 2.79Å; A744-K746 VanDerWaalsContact O-N 3.13Å; K746-M760 HydrophobicContact CB-CB 3.95Å; K746-M760 HydrophobicContact CB-CG 3.98Å; K746-M760 WeakPolarHBondContact O-CG 3.11Å; K746-M770 HydrophobicContact CD-CE 3.92Å; K746-M770 HydrophobicContact CD-SD 3.38Å; K746-M770 WeakPolarHBondContact CD-SD 3.49Å; K746-M770 PolarHBondContact NZ-SD 3.48Å
747C94.6Very high90.7Very high2 Ų256 Ų561%0.01427%0.27CS..  trans-83.3144.5174.3-63.40000110.7I717 C743 A744 W758 L759I717-C747 HydrophobicContact CD1-CB 3.73Å; C743-C747 PolarHBondContact O-N 3.17Å; C743-C747 PolarHBondContact O-SG 2.85Å; A744-C747 WeakPolarHBondContact O-CB 3.08Å; A744-C747 PolarHBondContact O-N 3.39Å; C747-W758 VanDerWaalsContact CA-O 3.24Å; C747-W758 WeakPolarHBondContact CA-O 3.29Å; C747-L759 HydrophobicContact CB-CD2 4.37Å
748R94.3Very high90.9Very high128 Ų12857.8 Ų57.848%0.48328%0.275SS..EExtended strand (participates in β ladder)trans-154.6173.8178.262.1-176.5179.3-1640.8110.2V710 W758V710-R748 HydrophobicContact CG1-CB 4.22Å; R748-W758 HydrophobicContact CG-CB 3.69Å; R748-W758 HydrophobicContact CG-CG 3.95Å; R748-W758 PolarHBondContact N-O 3.26Å; R748-W758 WeakPolarHBondContact O-CA 3.37Å; R748-W758 WeakPolarHBondContact O-CB 3.31Å; R748-W758 PolarHBondContact O-N 3.23Å
749F91.6Very high91.1Very high32 Ų3256.4 Ų56.414%0.1427%0.268CS..EExtended strand (participates in β ladder)trans-112.6151162.459.7-97.3000109.8V701 V710 L713 K755 P756 L757V701-F749 HydrophobicContact CG1-CB 4.26Å; V701-F749 HydrophobicContact CG1-CD1 4Å; V701-F749 HydrophobicContact CG1-CD2 4.12Å; V701-F749 HydrophobicContact CG1-CE1 4.37Å; V701-F749 HydrophobicContact CG1-CE2 4.48Å; V701-F749 HydrophobicContact CG1-CG 3.86Å; V701-F749 HydrophobicContact CG2-CD1 4.15Å; V710-F749 HydrophobicContact CG2-CD1 4.4Å; V710-F749 HydrophobicContact CG2-CE1 3.94Å; V710-F749 HydrophobicContact CG2-CZ 4.23Å; L713-F749 HydrophobicContact CD2-CD1 4.16Å; F749-K755 HydrophobicContact CD2-CB 4.43Å; F749-K755 HydrophobicContact CD2-CD 3.94Å; F749-K755 HydrophobicContact CE2-CD 4.21Å; F749-P756 CarbonylContact C-O 3.44Å; F749-P756 VanDerWaalsContact CA-O 3.26Å; F749-P756 WeakPolarHBondContact CA-O 3.39Å; F749-L757 HydrophobicContact CB-CD2 4.07Å
750M88.4Confident91.2Very high76 Ų7657.4 Ų57.437%0.37427%0.273SS..  trans-86.5156.5-178.8-58.3179.673.700111.5S752 K755 P756 W758 I774M750-S752 PolarHBondContact O-N 3.18Å; M750-S752 VanDerWaalsContact O-N 3.17Å; M750-K755 WeakPolarHBondContact O-CA 3.4Å; M750-K755 VanDerWaalsContact O-CD 3.24Å; M750-K755 WeakPolarHBondContact O-CD 3.36Å; M750-P756 HydrophobicContact CB-CG 4.49Å; M750-P756 PolarHBondContact N-O 3.46Å; M750-P756 HydrophobicContact SD-CB 4.37Å; M750-W758 HydrophobicContact SD-CE3 4.37Å; M750-I774 HydrophobicContact SD-CD1 4.24Å
751D81.2Confident91.2Very high114 Ų11453.1 Ų53.161%0.6125%0.254SS*.SBendtrans-74.9-3-175.6-79.6-43.2000116.1K755D751-K755 PolarHBondContact O-NZ 3.15Å; D751-K755 IonicContact OD1-NZ 2.84Å
752S79.6Confident91.1Very high64 Ų6451.8 Ų51.845%0.44825%0.247SC..SBendtrans-59.4161.8178.7-175.40000113.1M750 M754 K755M750-S752 PolarHBondContact O-N 3.18Å; M750-S752 VanDerWaalsContact O-N 3.17Å; S752-M754 PolarHBondContact O-N 2.94Å; S752-M754 VanDerWaalsContact O-N 3.16Å; S752-K755 WeakPolarHBondContact O-CD 3.44Å; S752-K755 PolarHBondContact O-N 3.19Å
753K80.4Confident90.1Very high185 Ų18552.8 Ų52.880%0.80425%0.252SS*.THydrogen-bonded Turntrans-50.9-41-178.9-177179.5177-175.80112.7K755K753-K755 VanDerWaalsContact C-N 3.35Å
754M84.9Confident88.9Confident42 Ų4254.5 Ų54.521%0.20726%0.263CS..THydrogen-bonded Turntrans-88.62.8-177.8-61.1-52.5168.100114.4K702 S752K702-M754 WeakPolarHBondContact CE-O 3.39Å; S752-M754 PolarHBondContact O-N 2.94Å; S752-M754 VanDerWaalsContact O-N 3.16Å
755K89.3Confident87.5Confident57 Ų5758.9 Ų58.925%0.24829%0.285CS..  trans41.358.4-176.5-58-64.3-173.9-172.40114.2V701 F749 M750 D751 S752 K753 L757V701-K755 HydrophobicContact CG1-CB 3.61Å; V701-K755 HydrophobicContact CG1-CG 4.08Å; F749-K755 HydrophobicContact CD2-CB 4.43Å; F749-K755 HydrophobicContact CD2-CD 3.94Å; F749-K755 HydrophobicContact CE2-CD 4.21Å; M750-K755 WeakPolarHBondContact O-CA 3.4Å; M750-K755 VanDerWaalsContact O-CD 3.24Å; M750-K755 WeakPolarHBondContact O-CD 3.36Å; D751-K755 PolarHBondContact O-NZ 3.15Å; D751-K755 IonicContact OD1-NZ 2.84Å; S752-K755 WeakPolarHBondContact O-CD 3.44Å; S752-K755 PolarHBondContact O-N 3.19Å; K753-K755 VanDerWaalsContact C-N 3.35Å; K755-L757 PolarHBondContact O-N 3.36Å
756P93.3Very high86Confident6 Ų659.1 Ų59.14%0.03928%0.283CS..  trans-54.4140.1178.2-18.626.9000112F749 M750 I774 F775 K776F749-P756 CarbonylContact C-O 3.44Å; F749-P756 VanDerWaalsContact CA-O 3.26Å; F749-P756 WeakPolarHBondContact CA-O 3.39Å; M750-P756 HydrophobicContact CB-CG 4.49Å; M750-P756 PolarHBondContact N-O 3.46Å; M750-P756 HydrophobicContact SD-CB 4.37Å; P756-I774 HydrophobicContact CB-CG2 3.74Å; P756-F775 CarbonylContact C-O 3.51Å; P756-F775 WeakPolarHBondContact CA-O 3.4Å; P756-K776 HydrophobicContact CB-CG 4.29Å; P756-K776 HydrophobicContact CG-CG 4.14Å
757L96.3Very high84.1Confident0 Ų061.3 Ų61.30%030%0.295CS..EExtended strand (participates in β ladder)trans-83.8132.1176-52.8179.8000109.6M694 L697 V701 L713 F749 K755 L759 I774 F775M694-L757 WeakPolarHBondContact O-CD1 3.33Å; L697-L757 HydrophobicContact CB-CD1 3.8Å; V701-L757 HydrophobicContact CG2-CD2 4.02Å; L713-L757 HydrophobicContact CD1-CD2 4.46Å; F749-L757 HydrophobicContact CB-CD2 4.07Å; K755-L757 PolarHBondContact O-N 3.36Å; L757-L759 HydrophobicContact CB-CD2 4.19Å; L757-L759 HydrophobicContact CB-CG 4.25Å; L757-I774 CarbonylContact O-C 3.5Å; L757-I774 WeakPolarHBondContact O-CA 3.47Å; L757-F775 HydrophobicContact CB-CB 4.25Å; L757-F775 HydrophobicContact CD1-CD1 4.02Å; L757-F775 HydrophobicContact CG-CD1 4.31Å; L757-F775 PolarHBondContact N-O 3.43Å; L757-F775 PolarHBondContact O-N 2.95Å
758W96.1Very high82.2Confident54 Ų5465.8 Ų65.821%0.20533%0.332CS..EExtended strand (participates in β ladder)trans-103.1109.5173.1179.3-73.1000107.9C747 R748 M750 M760 I774 I824C747-W758 VanDerWaalsContact CA-O 3.24Å; C747-W758 WeakPolarHBondContact CA-O 3.29Å; R748-W758 HydrophobicContact CG-CB 3.69Å; R748-W758 HydrophobicContact CG-CG 3.95Å; R748-W758 PolarHBondContact N-O 3.26Å; R748-W758 WeakPolarHBondContact O-CA 3.37Å; R748-W758 WeakPolarHBondContact O-CB 3.31Å; R748-W758 PolarHBondContact O-N 3.23Å; M750-W758 HydrophobicContact SD-CE3 4.37Å; W758-M760 HydrophobicContact CZ2-SD 4.39Å; W758-M760 PolarHBondContact NE1-SD 2.88Å; W758-I774 HydrophobicContact CE3-CD1 3.98Å; W758-I774 HydrophobicContact CE3-CG1 3.91Å; W758-I774 HydrophobicContact CZ3-CD1 4.02Å; W758-I774 HydrophobicContact CZ3-CG1 4.37Å; W758-I824 HydrophobicContact CD2-CD1 3.45Å; W758-I824 VanDerWaalsContact CD2-CD1 3.45Å; W758-I824 HydrophobicContact CD2-CG1 4.44Å; W758-I824 HydrophobicContact CE3-CD1 3.72Å; W758-I824 HydrophobicContact CE3-CG1 4.25Å; W758-I824 HydrophobicContact CG-CD1 4.02Å; W758-I824 HydrophobicContact CH2-CB 4.38Å; W758-I824 HydrophobicContact CH2-CD1 3.85Å; W758-I824 HydrophobicContact CH2-CG1 4.02Å; W758-I824 HydrophobicContact CH2-CG2 3.46Å; W758-I824 VanDerWaalsContact CH2-CG2 3.46Å; W758-I824 HydrophobicContact CZ2-CD1 3.59Å; W758-I824 HydrophobicContact CZ2-CG1 4.22Å; W758-I824 HydrophobicContact CZ2-CG2 3.62Å; W758-I824 HydrophobicContact CZ3-CD1 3.9Å; W758-I824 HydrophobicContact CZ3-CG1 4.03Å; W758-I824 HydrophobicContact CZ3-CG2 4.27Å
759L96.6Very high81.2Confident0 Ų062.5 Ų62.50%032%0.324CS..EExtended strand (participates in β ladder)trans-115.4129.4-173.6-54.3176.7000109.8M694 I717 I742 C747 L757 Y761 G772 I773 F775M694-L759 HydrophobicContact CE-CD1 3.84Å; M694-L759 HydrophobicContact CG-CD1 3.79Å; M694-L759 HydrophobicContact SD-CD1 3.76Å; I717-L759 HydrophobicContact CD1-CD2 4.38Å; I742-L759 HydrophobicContact CD1-CD2 4.39Å; C747-L759 HydrophobicContact CB-CD2 4.37Å; L757-L759 HydrophobicContact CB-CD2 4.19Å; L757-L759 HydrophobicContact CB-CG 4.25Å; L759-Y761 HydrophobicContact CB-CE2 3.99Å; L759-G772 WeakPolarHBondContact O-CA 3.3Å; L759-I773 HydrophobicContact CB-CG1 3.95Å; L759-I773 HydrophobicContact CD1-CD1 4.42Å; L759-I773 HydrophobicContact CD1-CG1 4.41Å; L759-I773 PolarHBondContact N-O 3.09Å; L759-I773 PolarHBondContact O-N 2.96Å; L759-F775 HydrophobicContact CD1-CB 4.47Å
760M95Very high80.9Confident22 Ų2262.3 Ų62.311%0.10832%0.324CS..EExtended strand (participates in β ladder)trans-118.8138.4-176.7-64.5-58.7-56.400110.5C743 K746 W758 M770 I824C743-M760 PolarHBondContact N-O 3.08Å; K746-M760 HydrophobicContact CB-CB 3.95Å; K746-M760 HydrophobicContact CB-CG 3.98Å; K746-M760 WeakPolarHBondContact O-CG 3.11Å; W758-M760 HydrophobicContact CZ2-SD 4.39Å; W758-M760 PolarHBondContact NE1-SD 2.88Å; M760-M770 HydrophobicContact CE-CB 3.82Å; M760-I824 HydrophobicContact SD-CD1 4.02Å
761Y94Very high81Confident0 Ų060 Ų600%031%0.314CS..EExtended strand (participates in β ladder)trans-124.5143.1-177.5-60.8-86.5000110.7L726 L739 E741 I742 L759 M770 V771 I773L726-Y761 WeakPolarHBondContact O-CE1 3.49Å; L739-Y761 HydrophobicContact CB-CD1 3.92Å; L739-Y761 HydrophobicContact CB-CD2 4.47Å; L739-Y761 HydrophobicContact CB-CE1 4.17Å; L739-Y761 HydrophobicContact CB-CG 4.09Å; L739-Y761 HydrophobicContact CD1-CE2 4.16Å; L739-Y761 HydrophobicContact CD2-CD2 3.79Å; L739-Y761 HydrophobicContact CD2-CE2 4.19Å; L739-Y761 HydrophobicContact CD2-CG 4.06Å; L739-Y761 HydrophobicContact CG-CD2 4.49Å; E741-Y761 CarbonylContact O-C 3.51Å; E741-Y761 VanDerWaalsContact O-CA 3.28Å; E741-Y761 WeakPolarHBondContact O-CA 3.44Å; I742-Y761 HydrophobicContact CB-CD1 3.95Å; I742-Y761 HydrophobicContact CB-CE1 3.66Å; I742-Y761 HydrophobicContact CD1-CE1 4.11Å; I742-Y761 HydrophobicContact CG1-CD1 4.33Å; I742-Y761 HydrophobicContact CG1-CE1 3.87Å; L759-Y761 HydrophobicContact CB-CE2 3.99Å; Y761-M770 CarbonylContact O-C 3.59Å; Y761-M770 WeakPolarHBondContact O-CA 3.44Å; Y761-M770 WeakPolarHBondContact O-CB 3.33Å; Y761-V771 PolarHBondContact N-O 3.48Å; Y761-V771 PolarHBondContact O-N 3.48Å; Y761-I773 HydrophobicContact CE2-CD1 3.62Å; Y761-I773 HydrophobicContact CE2-CG1 3.86Å
762K89.4Confident81.6Confident53 Ų5354.7 Ų54.723%0.2329%0.286CS..EExtended strand (participates in β ladder)trans-72.9147.5168.8-60.4-179.2-166.5159.90109.6E741E741-K762 HydrophobicContact CB-CB 4.42Å; E741-K762 HydrophobicContact CB-CD 4.42Å; E741-K762 PolarHBondContact O-N 2.99Å; E741-K762 IonicContact OE1-NZ 3.02Å; E741-K762 PolarHBondContact OE1-NZ 2.92Å; E741-K762 WeakPolarHBondContact OE2-CD 3.5Å; E741-K762 IonicContact OE2-NZ 3.14Å; E741-K762 PolarHBondContact OE2-NZ 3.34Å
763N74.2Confident82.4Confident25 Ų2551.8 Ų51.813%0.13427%0.265CS..  trans-85.3139.9168.4174.4-24.1000108.8L765 D769N763-L765 PolarHBondContact O-N 3.01Å; N763-L765 VanDerWaalsContact O-N 3.09Å; N763-L765 PolarHBondContact OD1-N 2.94Å; N763-D769 HydrophobicContact CB-CB 4.44Å; N763-D769 WeakPolarHBondContact CB-O 3.18Å; N763-D769 PolarHBondContact ND2-OD2 3.05Å
764P68.1Low83.2Confident50 Ų5044 Ų4433%0.32523%0.233SC..SBendtrans-51.7-28.4178.7-26.229.1000115.7F740F740-P764 HydrophobicContact CB-CG 3.81Å; F740-P764 HydrophobicContact CD2-CG 4.23Å; F740-P764 HydrophobicContact CG-CB 4.39Å; F740-P764 HydrophobicContact CG-CG 3.95Å
765L65.6Low83.8Confident101 Ų10142 Ų4253%0.52922%0.223SC..SBendtrans-109.8-30.9-169.9-64.5177.7000114.6N244 N763N244-L765 VanDerWaalsContact C-CD1 3.43Å; N244-L765 HydrophobicContact CB-CD1 3.44Å; N244-L765 VanDerWaalsContact CB-CD1 3.44Å; N763-L765 PolarHBondContact O-N 3.01Å; N763-L765 VanDerWaalsContact O-N 3.09Å; N763-L765 PolarHBondContact OD1-N 2.94Å
766E61.5Low84.1Confident115 Ų11540.4 Ų40.454%0.53722%0.216SC..  trans-135.7118.3-179.6-70.7-171.8-174.700110.9A768 D769E766-A768 PolarHBondContact O-N 3.48Å; E766-A768 VanDerWaalsContact O-N 3.15Å; E766-D769 HydrophobicContact CB-CB 4.31Å; E766-D769 PolarHBondContact O-N 2.83Å; E766-D769 VanDerWaalsContact O-N 3.16Å
767Q51.8Low84.2Confident161 Ų16140.7 Ų40.775%0.75222%0.217SC*.THydrogen-bonded Turntrans-60.9-23.9176.1-71.8-176.7-2.800113
768A54.3Low83.8Confident96 Ų9641.9 Ų41.979%0.79323%0.229SC*.THydrogen-bonded Turntrans-75.8-27.3179.200000113.2E766 M770E766-A768 PolarHBondContact O-N 3.48Å; E766-A768 VanDerWaalsContact O-N 3.15Å; A768-M770 PolarHBondContact O-N 3.12Å
769D72.9Confident83.6Confident59 Ų5941.6 Ų41.632%0.31623%0.232SC..SBendtrans-95.772.4-174.8-17335.2000112.4N763 E766 K826N763-D769 HydrophobicContact CB-CB 4.44Å; N763-D769 WeakPolarHBondContact CB-O 3.18Å; N763-D769 PolarHBondContact ND2-OD2 3.05Å; E766-D769 HydrophobicContact CB-CB 4.31Å; E766-D769 PolarHBondContact O-N 2.83Å; E766-D769 VanDerWaalsContact O-N 3.16Å; D769-K826 IonicContact OD1-NZ 3.59Å; D769-K826 PolarHBondContact OD1-NZ 3.33Å
770M85.7Confident83.3Confident28 Ų2843.9 Ų43.914%0.13824%0.244CC..  trans-80.5136.2-175.9-66.4-177.9172.200113.8K746 M760 Y761 A768 K826K746-M770 HydrophobicContact CD-CE 3.92Å; K746-M770 HydrophobicContact CD-SD 3.38Å; K746-M770 WeakPolarHBondContact CD-SD 3.49Å; K746-M770 PolarHBondContact NZ-SD 3.48Å; M760-M770 HydrophobicContact CE-CB 3.82Å; Y761-M770 CarbonylContact O-C 3.59Å; Y761-M770 WeakPolarHBondContact O-CA 3.44Å; Y761-M770 WeakPolarHBondContact O-CB 3.33Å; A768-M770 PolarHBondContact O-N 3.12Å; M770-K826 VanDerWaalsContact C-NZ 3.34Å; M770-K826 WeakPolarHBondContact O-CD 3.35Å; M770-K826 WeakPolarHBondContact O-CE 3.37Å; M770-K826 PolarHBondContact O-NZ 2.93Å
771V90.5Very high83.3Confident27 Ų2742.8 Ų42.816%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-90.7138.4175179.10000109.9V737 L739 Y761V737-V771 HydrophobicContact CG1-CG1 4.05Å; V737-V771 HydrophobicContact CG1-CG2 4.21Å; L739-V771 HydrophobicContact CD2-CG1 4.02Å; Y761-V771 PolarHBondContact N-O 3.48Å; Y761-V771 PolarHBondContact O-N 3.48Å
772G93.3Very high83.3Confident3 Ų344.9 Ų44.93%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-123139.6179.300000112.5L759 I824L759-G772 WeakPolarHBondContact O-CA 3.3Å; G772-I824 WeakPolarHBondContact O-CB 3.41Å; G772-I824 PolarHBondContact O-N 3.07Å
773I96.9Very high83.5Confident3 Ų343.2 Ų43.22%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-128.9146.7168.871.7-171000110.2M694 L733 L739 L759 Y761 L821 I822M694-I773 HydrophobicContact CE-CD1 3.86Å; M694-I773 HydrophobicContact SD-CD1 4.48Å; L733-I773 HydrophobicContact CD1-CB 4.44Å; L733-I773 HydrophobicContact CD1-CG2 3.97Å; L739-I773 HydrophobicContact CD1-CD1 4.11Å; L759-I773 HydrophobicContact CB-CG1 3.95Å; L759-I773 HydrophobicContact CD1-CD1 4.42Å; L759-I773 HydrophobicContact CD1-CG1 4.41Å; L759-I773 PolarHBondContact N-O 3.09Å; L759-I773 PolarHBondContact O-N 2.96Å; Y761-I773 HydrophobicContact CE2-CD1 3.62Å; Y761-I773 HydrophobicContact CE2-CG1 3.86Å; I773-L821 HydrophobicContact CD1-CD2 4.22Å; I773-I822 CarbonylContact C-O 3.53Å; I773-I822 WeakPolarHBondContact CA-O 3.49Å
774I97.8Very high84.4Confident22 Ų2242.5 Ų42.511%0.11324%0.236CC..EExtended strand (participates in β ladder)trans-102.4124.7167.3-66.6164.2000107.8M750 P756 L757 W758 L821 I822 I824M750-I774 HydrophobicContact SD-CD1 4.24Å; P756-I774 HydrophobicContact CB-CG2 3.74Å; L757-I774 CarbonylContact O-C 3.5Å; L757-I774 WeakPolarHBondContact O-CA 3.47Å; W758-I774 HydrophobicContact CE3-CD1 3.98Å; W758-I774 HydrophobicContact CE3-CG1 3.91Å; W758-I774 HydrophobicContact CZ3-CD1 4.02Å; W758-I774 HydrophobicContact CZ3-CG1 4.37Å; I774-L821 CarbonylContact O-C 3.4Å; I774-L821 VanDerWaalsContact O-CA 3.31Å; I774-L821 WeakPolarHBondContact O-CA 3.47Å; I774-I822 HydrophobicContact CB-CB 4.18Å; I774-I822 PolarHBondContact N-O 3.33Å; I774-I822 PolarHBondContact O-N 3.28Å; I774-I824 HydrophobicContact CD1-CG1 4.03Å; I774-I824 HydrophobicContact CG1-CD1 3.93Å; I774-I824 HydrophobicContact CG1-CG1 3.7Å
775F97.9Very high85.7Confident0 Ų040.9 Ų40.90%022%0.224CC..EExtended strand (participates in β ladder)trans-96121.8167.9175.9-95.7000109.5L691 M694 K695 P756 L757 L759 N777 M819 L821L691-F775 HydrophobicContact CD2-CD2 4.11Å; L691-F775 HydrophobicContact CD2-CE2 3.9Å; M694-F775 HydrophobicContact CB-CB 4.36Å; M694-F775 HydrophobicContact CB-CD1 3.87Å; M694-F775 HydrophobicContact CB-CD2 3.72Å; M694-F775 HydrophobicContact CB-CE1 4.01Å; M694-F775 HydrophobicContact CB-CE2 3.86Å; M694-F775 HydrophobicContact CB-CG 3.72Å; M694-F775 HydrophobicContact CB-CZ 4.01Å; M694-F775 HydrophobicContact CG-CD2 4.38Å; M694-F775 HydrophobicContact CG-CG 4.39Å; M694-F775 WeakPolarHBondContact O-CE1 3.47Å; M694-F775 HydrophobicContact SD-CB 4.04Å; M694-F775 HydrophobicContact SD-CD2 3.82Å; M694-F775 HydrophobicContact SD-CG 4.11Å; K695-F775 HydrophobicContact CB-CZ 4Å; P756-F775 CarbonylContact C-O 3.51Å; P756-F775 WeakPolarHBondContact CA-O 3.4Å; L757-F775 HydrophobicContact CB-CB 4.25Å; L757-F775 HydrophobicContact CD1-CD1 4.02Å; L757-F775 HydrophobicContact CG-CD1 4.31Å; L757-F775 PolarHBondContact N-O 3.43Å; L757-F775 PolarHBondContact O-N 2.95Å; L759-F775 HydrophobicContact CD1-CB 4.47Å; F775-N777 HydrophobicContact CD1-CB 4.48Å; F775-N777 HydrophobicContact CE1-CB 3.67Å; F775-N777 HydrophobicContact CZ-CB 4.12Å; F775-M819 HydrophobicContact CE2-CE 3.68Å; F775-M819 HydrophobicContact CZ-CE 3.84Å; F775-L821 HydrophobicContact CB-CD2 4.06Å; F775-L821 HydrophobicContact CD2-CD2 3.82Å; F775-L821 HydrophobicContact CG-CD2 4.46Å
776K95.7Very high87.2Confident24 Ų2436.1 Ų36.110%0.10420%0.199CC..EExtended strand (participates in β ladder)trans-115.5131.4180-151.5-180-165.8-158.20109P756 D779 L781 M819 G820 I822P756-K776 HydrophobicContact CB-CG 4.29Å; P756-K776 HydrophobicContact CG-CG 4.14Å; K776-D779 HydrophobicContact CD-CB 4.15Å; K776-D779 WeakPolarHBondContact CE-OD2 3.36Å; K776-D779 IonicContact NZ-OD2 2.69Å; K776-D779 PolarHBondContact NZ-OD2 3.33Å; K776-L781 HydrophobicContact CB-CD1 4.35Å; K776-L781 HydrophobicContact CD-CD2 3.85Å; K776-M819 CarbonylContact O-C 3.57Å; K776-M819 WeakPolarHBondContact O-CA 3.49Å; K776-G820 PolarHBondContact N-O 2.7Å; K776-G820 PolarHBondContact O-N 2.83Å; K776-I822 HydrophobicContact CD-CD1 4.36Å
777N94.1Very high88.8Confident12 Ų1230.6 Ų30.66%0.06417%0.173CC..EExtended strand (participates in β ladder)trans-133.5130.9177.8166.829000106.4S698 D699 K702 F775 K818 M819S698-N777 WeakPolarHBondContact OG-CB 3.37Å; S698-N777 PolarHBondContact OG-ND2 2.92Å; D699-N777 PolarHBondContact OD1-ND2 2.8Å; K702-N777 WeakPolarHBondContact CE-O 3.38Å; K702-N777 PolarHBondContact NZ-ND2 2.83Å; K702-N777 PolarHBondContact NZ-O 3.26Å; F775-N777 HydrophobicContact CD1-CB 4.48Å; F775-N777 HydrophobicContact CE1-CB 3.67Å; F775-N777 HydrophobicContact CZ-CB 4.12Å; N777-K818 CarbonylContact C-O 3.52Å; N777-M819 HydrophobicContact CB-CB 4.45Å
778G89.5Confident91Very high25 Ų2523.2 Ų23.226%0.25814%0.139SC..SBendtrans111-15.7-176.700000115.8K818G778-K818 PolarHBondContact N-O 3.38Å
779D90.1Very high93.1Very high47 Ų4719.4 Ų19.425%0.25111%0.105SC..SBendtrans-119.5144179.1-67.6-30.6000111.2K776 L781 K818K776-D779 HydrophobicContact CD-CB 4.15Å; K776-D779 WeakPolarHBondContact CE-OD2 3.36Å; K776-D779 IonicContact NZ-OD2 2.69Å; K776-D779 PolarHBondContact NZ-OD2 3.33Å; D779-L781 PolarHBondContact O-N 2.83Å; D779-K818 PolarHBondContact N-O 3.03Å; D779-K818 CarbonylContact O-C 3.32Å; D779-K818 VanDerWaalsContact O-CA 3.22Å; D779-K818 WeakPolarHBondContact O-CA 3.38Å
780D91.2Very high94.2Very high48 Ų4816.6 Ų16.626%0.2579%0.09SC..  trans-81.1106.9175.1-173.8-2.9000110.6R782 K818D780-R782 VanDerWaalsContact C-N 3.3Å; D780-R782 PolarHBondContact O-N 3.24Å; D780-R782 VanDerWaalsContact OD1-CB 3.31Å; D780-R782 WeakPolarHBondContact OD1-CB 3.45Å; D780-R782 VanDerWaalsContact OD1-CG 3.26Å; D780-R782 WeakPolarHBondContact OD1-CG 3.33Å; D780-R782 IonicContact OD1-CZ 3.75Å; D780-R782 PolarHBondContact OD1-N 3.29Å; D780-R782 IonicContact OD1-NE 2.83Å; D780-R782 PolarHBondContact OD1-NE 3.17Å; D780-R782 IonicContact OD2-CZ 3.8Å; D780-R782 IonicContact OD2-NE 2.93Å; D780-R782 PolarHBondContact OD2-NE 3.41Å; D780-R782 VanDerWaalsContact OD2-NE 3.14Å; D780-R782 IonicContact OD2-NH2 2.95Å; D780-R782 PolarHBondContact OD2-NH2 3.37Å; D780-K818 HydrophobicContact CB-CG 4.45Å
781L94.6Very high94.8Very high0 Ų015.3 Ų15.30%08%0.083CC..THydrogen-bonded Turntrans-81.3-4-177.8-66.2-174.9000114K776 D779 Q783 D784 M785 I822K776-L781 HydrophobicContact CB-CD1 4.35Å; K776-L781 HydrophobicContact CD-CD2 3.85Å; D779-L781 PolarHBondContact O-N 2.83Å; L781-Q783 PolarHBondContact O-N 3.39Å; L781-D784 PolarHBondContact O-N 3Å; L781-M785 VanDerWaalsContact O-CG 3.29Å; L781-M785 WeakPolarHBondContact O-CG 3.45Å; L781-M785 PolarHBondContact O-N 3.24Å; L781-I822 HydrophobicContact CD1-CD1 4.46Å; L781-I822 HydrophobicContact CD1-CG1 4.19Å; L781-I822 HydrophobicContact CD2-CD1 4.08Å
782R94.7Very high95.1Very high43 Ų4318.6 Ų18.616%0.1629%0.093CC..Hα-helixtrans-62-31.4-177-67178.3-63.4155.710.6112.4E656 D780 L786 A981 L983E656-R782 IonicContact OE2-NH1 2.77Å; E656-R782 PolarHBondContact OE2-NH1 3.34Å; E656-R782 VanDerWaalsContact OE2-NH1 3.09Å; D780-R782 VanDerWaalsContact C-N 3.3Å; D780-R782 PolarHBondContact O-N 3.24Å; D780-R782 VanDerWaalsContact OD1-CB 3.31Å; D780-R782 WeakPolarHBondContact OD1-CB 3.45Å; D780-R782 VanDerWaalsContact OD1-CG 3.26Å; D780-R782 WeakPolarHBondContact OD1-CG 3.33Å; D780-R782 IonicContact OD1-CZ 3.75Å; D780-R782 PolarHBondContact OD1-N 3.29Å; D780-R782 IonicContact OD1-NE 2.83Å; D780-R782 PolarHBondContact OD1-NE 3.17Å; D780-R782 IonicContact OD2-CZ 3.8Å; D780-R782 IonicContact OD2-NE 2.93Å; D780-R782 PolarHBondContact OD2-NE 3.41Å; D780-R782 VanDerWaalsContact OD2-NE 3.14Å; D780-R782 IonicContact OD2-NH2 2.95Å; D780-R782 PolarHBondContact OD2-NH2 3.37Å; R782-L786 WeakPolarHBondContact O-CB 3.44Å; R782-L786 PolarHBondContact O-N 3.44Å; R782-A981 PolarHBondContact NH1-O 3.37Å; R782-L983 HydrophobicContact CB-CD2 3.76Å
783Q92.6Very high95.2Very high18 Ų1818.8 Ų18.88%0.0849%0.093CC..Hα-helixtrans-70.7-44.1176-176.2168.3-18.700112.4L781 M785 L786 T787 G910 F912 E985L781-Q783 PolarHBondContact O-N 3.39Å; Q783-M785 VanDerWaalsContact C-N 3.35Å; Q783-L786 PolarHBondContact O-N 3.47Å; Q783-T787 PolarHBondContact O-N 3.3Å; Q783-T787 PolarHBondContact O-OG1 3.11Å; Q783-G910 PolarHBondContact NE2-O 2.83Å; Q783-G910 VanDerWaalsContact NE2-O 3.11Å; Q783-F912 HydrophobicContact CG-CD1 3.98Å; Q783-F912 HydrophobicContact CG-CE1 3.86Å; Q783-F912 HydrophobicContact CG-CZ 4.41Å; Q783-E985 PolarHBondContact NE2-OE2 3.01Å
784D94.1Very high95.3Very high10 Ų1018.6 Ų18.65%0.0539%0.092CC..Hα-helixtrans-60.7-44.1172.3-69.1-101.3000111.5L781 L786 T787 L788 F909L781-D784 PolarHBondContact O-N 3Å; D784-L786 PolarHBondContact O-N 3Å; D784-T787 PolarHBondContact O-N 3.5Å; D784-L788 WeakPolarHBondContact O-CB 3.28Å; D784-L788 WeakPolarHBondContact O-CD1 3.35Å; D784-L788 WeakPolarHBondContact O-CG 3.44Å; D784-L788 PolarHBondContact O-N 3.13Å; D784-F909 PolarHBondContact OD1-N 3.05Å
785M96.1Very high95.2Very high17 Ų1717.9 Ų17.98%0.0849%0.088CC..Hα-helixtrans-56.6-49.4175.9-71.9178.272.400112I615 L781 Q783 T787 L788 Q789 C812 L813 S814I615-M785 HydrophobicContact CD1-CB 4.47Å; I615-M785 HydrophobicContact CD1-CE 4Å; L781-M785 VanDerWaalsContact O-CG 3.29Å; L781-M785 WeakPolarHBondContact O-CG 3.45Å; L781-M785 PolarHBondContact O-N 3.24Å; Q783-M785 VanDerWaalsContact C-N 3.35Å; M785-T787 VanDerWaalsContact C-N 3.34Å; M785-T787 PolarHBondContact O-N 3.17Å; M785-L788 PolarHBondContact O-N 2.96Å; M785-Q789 VanDerWaalsContact O-CB 3.29Å; M785-Q789 WeakPolarHBondContact O-CB 3.38Å; M785-Q789 PolarHBondContact O-N 3.42Å; M785-C812 HydrophobicContact CG-CB 4.2Å; M785-C812 WeakPolarHBondContact CG-O 3.34Å; M785-L813 HydrophobicContact CE-CD1 3.8Å; M785-S814 VanDerWaalsContact SD-CB 3.51Å; M785-S814 PolarHBondContact SD-N 3.31Å
786L96.1Very high95Very high0 Ų019.8 Ų19.80%010%0.098CC..Hα-helixtrans-60.7-45.4178.7178.959.3000110.8R782 Q783 D784 L788 Q789 M790 F912 M978 L983 L986R782-L786 WeakPolarHBondContact O-CB 3.44Å; R782-L786 PolarHBondContact O-N 3.44Å; Q783-L786 PolarHBondContact O-N 3.47Å; D784-L786 PolarHBondContact O-N 3Å; L786-L788 PolarHBondContact O-N 3.36Å; L786-Q789 WeakPolarHBondContact O-CB 3.18Å; L786-Q789 PolarHBondContact O-N 2.85Å; L786-M790 HydrophobicContact CD1-CE 3.48Å; L786-M790 VanDerWaalsContact CD1-CE 3.48Å; L786-M790 HydrophobicContact CD1-CG 4.46Å; L786-M790 VanDerWaalsContact O-CG 3.29Å; L786-M790 WeakPolarHBondContact O-CG 3.23Å; L786-M790 PolarHBondContact O-N 3.21Å; L786-F912 HydrophobicContact CD2-CE2 3.78Å; L786-F912 HydrophobicContact CD2-CZ 4.05Å; L786-M978 HydrophobicContact CD1-CE 4.28Å; L786-M978 HydrophobicContact CD1-CG 3.73Å; L786-M978 HydrophobicContact CD1-SD 4.3Å; L786-M978 HydrophobicContact CD2-CB 4.13Å; L786-M978 HydrophobicContact CD2-CE 4.17Å; L786-M978 HydrophobicContact CD2-CG 3.94Å; L786-M978 HydrophobicContact CG-CG 4.5Å; L786-L983 HydrophobicContact CD2-CD1 3.91Å; L786-L986 HydrophobicContact CD2-CD2 4.21Å
787T95.4Very high95Very high0 Ų019.5 Ų19.50%010%0.098CC..Hα-helixtrans-62.7-46.1179.8-570000111.8Q783 D784 M785 Q789 M790 I791 L886 I888 F909Q783-T787 PolarHBondContact O-N 3.3Å; Q783-T787 PolarHBondContact O-OG1 3.11Å; D784-T787 PolarHBondContact O-N 3.5Å; M785-T787 VanDerWaalsContact C-N 3.34Å; M785-T787 PolarHBondContact O-N 3.17Å; T787-Q789 VanDerWaalsContact C-N 3.34Å; T787-Q789 PolarHBondContact O-N 3.08Å; T787-M790 PolarHBondContact O-N 3.31Å; T787-I791 HydrophobicContact CG2-CD1 4.03Å; T787-I791 WeakPolarHBondContact O-CG1 3.38Å; T787-I791 PolarHBondContact O-N 3.01Å; T787-L886 HydrophobicContact CG2-CD1 4.22Å; T787-I888 HydrophobicContact CG2-CD1 3.53Å; T787-I888 HydrophobicContact CG2-CG1 4.29Å; T787-F909 HydrophobicContact CG2-CB 3.79Å; T787-F909 HydrophobicContact CG2-CD1 3.67Å; T787-F909 HydrophobicContact CG2-CD2 4.1Å; T787-F909 HydrophobicContact CG2-CE1 4.22Å; T787-F909 HydrophobicContact CG2-CG 3.59Å
788L97.6Very high95Very high5 Ų519 Ų193%0.02610%0.095CC..Hα-helixtrans-65-36.7177.7-77161.3000112.5D784 M785 L786 I791 R792 Y810 C812 F909D784-L788 WeakPolarHBondContact O-CB 3.28Å; D784-L788 WeakPolarHBondContact O-CD1 3.35Å; D784-L788 WeakPolarHBondContact O-CG 3.44Å; D784-L788 PolarHBondContact O-N 3.13Å; M785-L788 PolarHBondContact O-N 2.96Å; L786-L788 PolarHBondContact O-N 3.36Å; L788-I791 PolarHBondContact O-N 2.9Å; L788-R792 WeakPolarHBondContact O-CB 3.4Å; L788-R792 PolarHBondContact O-N 3.35Å; L788-Y810 HydrophobicContact CD1-CD2 3.97Å; L788-Y810 HydrophobicContact CD1-CE2 3.54Å; L788-Y810 HydrophobicContact CD2-CD1 3.97Å; L788-Y810 HydrophobicContact CD2-CD2 4.31Å; L788-Y810 HydrophobicContact CD2-CE1 3.78Å; L788-Y810 HydrophobicContact CD2-CE2 4.15Å; L788-Y810 HydrophobicContact CD2-CG 4.22Å; L788-Y810 HydrophobicContact CG-CE2 4.46Å; L788-C812 HydrophobicContact CD1-CB 3.38Å; L788-F909 HydrophobicContact CD1-CE2 4.48Å; L788-F909 HydrophobicContact CD2-CD2 4.48Å; L788-F909 HydrophobicContact CD2-CE2 3.73Å; L788-F909 HydrophobicContact CG-CD2 4.12Å; L788-F909 HydrophobicContact CG-CE2 3.85Å
789Q97.3Very high95.1Very high17 Ų1718.7 Ų18.78%0.0799%0.087CC..Hα-helixtrans-61.2-44.8172-178.4-153.4-13.800110.9Q612 Q616 M785 L786 T787 R792 L793Q612-Q789 PolarHBondContact NE2-O 3.14Å; Q612-Q789 PolarHBondContact O-NE2 3.39Å; Q616-Q789 VanDerWaalsContact CD-NE2 3.31Å; Q616-Q789 VanDerWaalsContact NE2-NE2 3.13Å; M785-Q789 VanDerWaalsContact O-CB 3.29Å; M785-Q789 WeakPolarHBondContact O-CB 3.38Å; M785-Q789 PolarHBondContact O-N 3.42Å; L786-Q789 WeakPolarHBondContact O-CB 3.18Å; L786-Q789 PolarHBondContact O-N 2.85Å; T787-Q789 VanDerWaalsContact C-N 3.34Å; T787-Q789 PolarHBondContact O-N 3.08Å; Q789-R792 WeakPolarHBondContact O-CB 3.34Å; Q789-R792 PolarHBondContact O-N 3.43Å; Q789-L793 PolarHBondContact O-N 2.97Å
790M97.2Very high95.1Very high0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-65.4-42.3177.5-65.7-58.4146.100111.9L786 T787 R792 L793 M794 L886 F971 L974 F975L786-M790 HydrophobicContact CD1-CE 3.48Å; L786-M790 VanDerWaalsContact CD1-CE 3.48Å; L786-M790 HydrophobicContact CD1-CG 4.46Å; L786-M790 VanDerWaalsContact O-CG 3.29Å; L786-M790 WeakPolarHBondContact O-CG 3.23Å; L786-M790 PolarHBondContact O-N 3.21Å; T787-M790 PolarHBondContact O-N 3.31Å; M790-R792 VanDerWaalsContact C-N 3.29Å; M790-R792 PolarHBondContact O-N 3.41Å; M790-L793 WeakPolarHBondContact O-CB 3.5Å; M790-L793 PolarHBondContact O-N 3.08Å; M790-L793 VanDerWaalsContact O-N 3.16Å; M790-M794 VanDerWaalsContact O-CG 3.29Å; M790-M794 WeakPolarHBondContact O-CG 3.45Å; M790-M794 PolarHBondContact O-N 3.48Å; M790-L886 HydrophobicContact CB-CD1 3.94Å; M790-L886 HydrophobicContact CB-CD2 4.29Å; M790-F971 HydrophobicContact SD-CD1 3.84Å; M790-F971 HydrophobicContact SD-CE1 4.21Å; M790-L974 HydrophobicContact CE-CB 3.75Å; M790-L974 HydrophobicContact CE-CD1 3.91Å; M790-L974 HydrophobicContact CE-CG 4.44Å; M790-L974 HydrophobicContact SD-CD1 4.11Å; M790-F975 HydrophobicContact CE-CD2 4.39Å; M790-F975 HydrophobicContact CE-CE2 4.21Å; M790-F975 HydrophobicContact CG-CE2 3.61Å; M790-F975 HydrophobicContact CG-CZ 4.05Å; M790-F975 HydrophobicContact SD-CD2 4.29Å; M790-F975 HydrophobicContact SD-CE2 3.76Å
791I97.6Very high95.1Very high1 Ų125.9 Ų25.91%0.00512%0.115CC..Hα-helixtrans-60.1-40.9174.5-69.5166.9000110.9T787 L788 M794 E795 M807 P809 Y879 A882 L886 F909T787-I791 HydrophobicContact CG2-CD1 4.03Å; T787-I791 WeakPolarHBondContact O-CG1 3.38Å; T787-I791 PolarHBondContact O-N 3.01Å; L788-I791 PolarHBondContact O-N 2.9Å; I791-M794 PolarHBondContact O-N 3.32Å; I791-E795 PolarHBondContact O-N 2.93Å; I791-M807 HydrophobicContact CG2-CB 4.32Å; I791-M807 HydrophobicContact CG2-CE 3.59Å; I791-P809 HydrophobicContact CG2-CB 4.2Å; I791-Y879 HydrophobicContact CD1-CE1 4.16Å; I791-A882 HydrophobicContact CG1-CB 4.45Å; I791-L886 HydrophobicContact CG1-CD1 4.36Å; I791-F909 HydrophobicContact CD1-CE1 4.01Å; I791-F909 HydrophobicContact CD1-CE2 4.32Å; I791-F909 HydrophobicContact CD1-CZ 3.72Å
792R97Very high94.9Very high95 Ų9528.6 Ų28.636%0.35814%0.144SC..Hα-helixtrans-63-42174.9-171176.8-61.4-170.6-0.8112.2L788 Q789 M790 E795 N796 P809L788-R792 WeakPolarHBondContact O-CB 3.4Å; L788-R792 PolarHBondContact O-N 3.35Å; Q789-R792 WeakPolarHBondContact O-CB 3.34Å; Q789-R792 PolarHBondContact O-N 3.43Å; M790-R792 VanDerWaalsContact C-N 3.29Å; M790-R792 PolarHBondContact O-N 3.41Å; R792-E795 PolarHBondContact O-N 2.89Å; R792-N796 WeakPolarHBondContact O-CB 3.39Å; R792-N796 PolarHBondContact O-N 3.37Å; R792-N796 PolarHBondContact O-ND2 2.97Å; R792-P809 HydrophobicContact CB-CB 3.83Å; R792-P809 HydrophobicContact CB-CG 3.89Å; R792-P809 HydrophobicContact CG-CB 4.48Å; R792-P809 HydrophobicContact CG-CG 4.06Å; R792-P809 PolarHBondContact NH2-O 3.19Å
793L96.5Very high94.8Very high7 Ų727.5 Ų27.54%0.03714%0.141CC..Hα-helixtrans-62.6-45.5175.3177.760.3000111.3Q612 Y613 Q789 M790 E795 N796 L797 L970 F971 L974Q612-L793 HydrophobicContact CG-CD1 4.22Å; Y613-L793 HydrophobicContact CE1-CD1 4.47Å; Q789-L793 PolarHBondContact O-N 2.97Å; M790-L793 WeakPolarHBondContact O-CB 3.5Å; M790-L793 PolarHBondContact O-N 3.08Å; M790-L793 VanDerWaalsContact O-N 3.16Å; L793-E795 PolarHBondContact O-N 3.31Å; L793-N796 PolarHBondContact O-N 3.03Å; L793-L797 HydrophobicContact CD1-CD1 4.35Å; L793-L797 HydrophobicContact CD1-CG 4.24Å; L793-L797 HydrophobicContact CG-CD1 4.2Å; L793-L797 WeakPolarHBondContact O-CG 3.24Å; L793-L797 PolarHBondContact O-N 2.8Å; L793-L970 HydrophobicContact CD1-CD2 4.2Å; L793-L970 HydrophobicContact CD2-CD2 3.88Å; L793-L970 HydrophobicContact CD2-CG 4.22Å; L793-F971 HydrophobicContact CB-CE1 4.47Å; L793-F971 HydrophobicContact CD2-CD1 4.26Å; L793-F971 HydrophobicContact CD2-CE1 3.79Å; L793-F971 HydrophobicContact CD2-CZ 4.1Å; L793-F971 HydrophobicContact CG-CE1 4.15Å; L793-F971 HydrophobicContact CG-CZ 4.14Å; L793-L974 HydrophobicContact CD2-CD1 3.53Å
794M97.8Very high94.8Very high0 Ų027.1 Ų27.10%014%0.14CC..Hα-helixtrans-56.7-48.7176-68.4177.1177.700111.3M790 I791 N796 L797 W798 A882 V885 L886 L964 F971M790-M794 VanDerWaalsContact O-CG 3.29Å; M790-M794 WeakPolarHBondContact O-CG 3.45Å; M790-M794 PolarHBondContact O-N 3.48Å; I791-M794 PolarHBondContact O-N 3.32Å; M794-N796 VanDerWaalsContact C-N 3.34Å; M794-N796 PolarHBondContact O-N 3.47Å; M794-L797 PolarHBondContact O-N 3.3Å; M794-W798 HydrophobicContact CB-CD2 4.44Å; M794-W798 HydrophobicContact CB-CE3 4.29Å; M794-W798 HydrophobicContact CB-CH2 3.85Å; M794-W798 HydrophobicContact CB-CZ2 4Å; M794-W798 HydrophobicContact CB-CZ3 3.99Å; M794-W798 PolarHBondContact O-N 3.07Å; M794-W798 HydrophobicContact SD-CH2 4.45Å; M794-A882 HydrophobicContact SD-CB 3.61Å; M794-V885 HydrophobicContact CE-CB 4.28Å; M794-V885 HydrophobicContact CE-CG1 3.88Å; M794-L886 HydrophobicContact CE-CD1 3.97Å; M794-L886 HydrophobicContact CE-CD2 3.68Å; M794-L886 HydrophobicContact CE-CG 3.66Å; M794-L964 HydrophobicContact CB-CD2 3.99Å; M794-L964 HydrophobicContact CE-CD1 3.88Å; M794-L964 HydrophobicContact CG-CD1 3.96Å; M794-L964 HydrophobicContact CG-CD2 3.69Å; M794-L964 HydrophobicContact CG-CG 4.5Å; M794-L964 HydrophobicContact SD-CD1 3.79Å; M794-F971 HydrophobicContact CE-CD1 4.33Å; M794-F971 HydrophobicContact CE-CE1 3.79Å; M794-F971 HydrophobicContact CE-CZ 4.13Å; M794-F971 HydrophobicContact CG-CE1 3.77Å; M794-F971 HydrophobicContact CG-CZ 3.56Å
795E95.9Very high94.9Very high6 Ų626.7 Ų26.73%0.02814%0.137CC..Hα-helixtrans-60-42.9176.8179.665178.200112.4I791 R792 L793 L797 W798 K799 R806 M807I791-E795 PolarHBondContact O-N 2.93Å; R792-E795 PolarHBondContact O-N 2.89Å; L793-E795 PolarHBondContact O-N 3.31Å; E795-L797 VanDerWaalsContact C-N 3.34Å; E795-L797 PolarHBondContact O-N 2.98Å; E795-W798 PolarHBondContact O-N 3.36Å; E795-K799 HydrophobicContact CG-CD 4.19Å; E795-K799 WeakPolarHBondContact O-CB 3.44Å; E795-K799 WeakPolarHBondContact O-CG 3.43Å; E795-K799 PolarHBondContact O-N 2.83Å; E795-K799 WeakPolarHBondContact OE1-CE 3.43Å; E795-K799 IonicContact OE1-NZ 2.78Å; E795-R806 PolarHBondContact OE1-N 2.91Å; E795-M807 HydrophobicContact CB-CB 3.96Å; E795-M807 HydrophobicContact CB-CG 4.08Å; E795-M807 HydrophobicContact CG-CB 4.01Å; E795-M807 HydrophobicContact CG-CG 4.33Å; E795-M807 WeakPolarHBondContact OE2-CG 3.48Å
796N93.8Very high94.7Very high40 Ų4027 Ų2721%0.21414%0.137CC..Hα-helixtrans-63.9-40.2177.7-71-16.4000111.8P173 R792 L793 M794 K800P173-N796 HydrophobicContact CG-CB 4.04Å; P173-N796 WeakPolarHBondContact CG-OD1 3.19Å; R792-N796 WeakPolarHBondContact O-CB 3.39Å; R792-N796 PolarHBondContact O-N 3.37Å; R792-N796 PolarHBondContact O-ND2 2.97Å; L793-N796 PolarHBondContact O-N 3.03Å; M794-N796 VanDerWaalsContact C-N 3.34Å; M794-N796 PolarHBondContact O-N 3.47Å; N796-K800 VanDerWaalsContact O-CG 3.29Å; N796-K800 WeakPolarHBondContact O-CG 3.42Å; N796-K800 PolarHBondContact O-N 3.24Å
797L94.9Very high94.7Very high19 Ų1927.6 Ų27.610%0.09914%0.14CC..Hα-helixtrans-65.7-43.4175.7-68.8172.9000111.5L793 M794 E795 K800 E801 I963 L964 N967 F971L793-L797 HydrophobicContact CD1-CD1 4.35Å; L793-L797 HydrophobicContact CD1-CG 4.24Å; L793-L797 HydrophobicContact CG-CD1 4.2Å; L793-L797 WeakPolarHBondContact O-CG 3.24Å; L793-L797 PolarHBondContact O-N 2.8Å; M794-L797 PolarHBondContact O-N 3.3Å; E795-L797 VanDerWaalsContact C-N 3.34Å; E795-L797 PolarHBondContact O-N 2.98Å; L797-K800 PolarHBondContact O-N 2.71Å; L797-E801 PolarHBondContact O-N 3.43Å; L797-I963 HydrophobicContact CB-CG2 4.17Å; L797-L964 HydrophobicContact CD1-CD2 4.47Å; L797-N967 HydrophobicContact CD1-CB 3.81Å; L797-F971 HydrophobicContact CD1-CE2 3.85Å; L797-F971 HydrophobicContact CD1-CZ 3.88Å
798W95.8Very high94.7Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-63.5-44.7176.4-61-36.9000111.8M794 E795 K800 E801 G802 L803 L805 M807 G878 V881 A882 A960 L964M794-W798 HydrophobicContact CB-CD2 4.44Å; M794-W798 HydrophobicContact CB-CE3 4.29Å; M794-W798 HydrophobicContact CB-CH2 3.85Å; M794-W798 HydrophobicContact CB-CZ2 4Å; M794-W798 HydrophobicContact CB-CZ3 3.99Å; M794-W798 PolarHBondContact O-N 3.07Å; M794-W798 HydrophobicContact SD-CH2 4.45Å; E795-W798 PolarHBondContact O-N 3.36Å; W798-K800 PolarHBondContact O-N 3.29Å; W798-E801 CarbonylContact O-C 3.58Å; W798-E801 WeakPolarHBondContact O-CA 3.32Å; W798-E801 PolarHBondContact O-N 3.16Å; W798-E801 VanDerWaalsContact O-N 3.08Å; W798-G802 PolarHBondContact O-N 2.57Å; W798-L803 CarbonylContact C-O 3.55Å; W798-L803 HydrophobicContact CB-CB 4.24Å; W798-L803 HydrophobicContact CB-CD2 4.45Å; W798-L803 HydrophobicContact CB-CG 4.47Å; W798-L803 WeakPolarHBondContact CB-O 3.39Å; W798-L803 HydrophobicContact CG-CD2 4.49Å; W798-L803 CarbonylContact O-C 3.22Å; W798-L803 WeakPolarHBondContact O-CA 3.38Å; W798-L803 PolarHBondContact O-N 3.27Å; W798-L803 VanDerWaalsContact O-O 3.14Å; W798-L805 HydrophobicContact CD2-CD1 3.55Å; W798-L805 HydrophobicContact CD2-CG 4.27Å; W798-L805 HydrophobicContact CE3-CB 3.93Å; W798-L805 HydrophobicContact CE3-CD1 3.41Å; W798-L805 VanDerWaalsContact CE3-CD1 3.41Å; W798-L805 HydrophobicContact CE3-CG 3.95Å; W798-L805 HydrophobicContact CG-CD1 4.14Å; W798-L805 HydrophobicContact CH2-CD1 4.02Å; W798-L805 HydrophobicContact CZ2-CD1 4.13Å; W798-L805 HydrophobicContact CZ3-CB 4.23Å; W798-L805 HydrophobicContact CZ3-CD1 3.67Å; W798-L805 HydrophobicContact CZ3-CG 4.46Å; W798-M807 HydrophobicContact CE3-CG 4.24Å; W798-M807 HydrophobicContact CZ3-CE 4.27Å; W798-M807 HydrophobicContact CZ3-CG 3.72Å; W798-M807 HydrophobicContact CZ3-SD 4.03Å; W798-G878 WeakPolarHBondContact CH2-O 3.46Å; W798-V881 HydrophobicContact CZ2-CB 4.44Å; W798-V881 HydrophobicContact CZ2-CG1 4.14Å; W798-A882 HydrophobicContact CH2-CB 4.4Å; W798-A960 HydrophobicContact CZ2-CB 3.99Å; W798-A960 PolarHBondContact NE1-O 3.36Å; W798-L964 HydrophobicContact CZ2-CD1 3.76Å; W798-L964 HydrophobicContact CZ2-CD2 4.13Å; W798-L964 HydrophobicContact CZ2-CG 4.01Å
799K91.5Very high94.6Very high20 Ų2029.7 Ų29.79%0.08715%0.153CC..Hα-helixtrans-61.5-39176.6-79.7178168.7176.20113.1E172 E795 E801 G802 L803 D804E172-K799 IonicContact OE1-NZ 3.76Å; E172-K799 IonicContact OE2-NZ 3.63Å; E172-K799 PolarHBondContact OE2-NZ 3.18Å; E795-K799 HydrophobicContact CG-CD 4.19Å; E795-K799 WeakPolarHBondContact O-CB 3.44Å; E795-K799 WeakPolarHBondContact O-CG 3.43Å; E795-K799 PolarHBondContact O-N 2.83Å; E795-K799 WeakPolarHBondContact OE1-CE 3.43Å; E795-K799 IonicContact OE1-NZ 2.78Å; K799-E801 PolarHBondContact O-N 2.77Å; K799-G802 PolarHBondContact O-N 3.29Å; K799-L803 PolarHBondContact N-O 3.44Å; K799-D804 HydrophobicContact CG-CB 4.33Å
800K90.1Very high94.6Very high126 Ų12629.4 Ų29.455%0.54815%0.151SC..Hα-helixtrans-59.6-32.1174.8-78.6177.9179-1730112.1P173 N796 L797 W798 G802P173-K800 HydrophobicContact CB-CG 4.05Å; N796-K800 VanDerWaalsContact O-CG 3.29Å; N796-K800 WeakPolarHBondContact O-CG 3.42Å; N796-K800 PolarHBondContact O-N 3.24Å; L797-K800 PolarHBondContact O-N 2.71Å; W798-K800 PolarHBondContact O-N 3.29Å; K800-G802 VanDerWaalsContact C-N 3.32Å
801E91.3Very high94.6Very high119 Ų11929.9 Ų29.956%0.55616%0.156SC*.THydrogen-bonded Turntrans-91.211.9176.3-63.7-72.2160.400113L797 W798 K799 L803 I963L797-E801 PolarHBondContact O-N 3.43Å; W798-E801 CarbonylContact O-C 3.58Å; W798-E801 WeakPolarHBondContact O-CA 3.32Å; W798-E801 PolarHBondContact O-N 3.16Å; W798-E801 VanDerWaalsContact O-N 3.08Å; K799-E801 PolarHBondContact O-N 2.77Å; E801-L803 VanDerWaalsContact C-N 3.32Å; E801-L803 PolarHBondContact O-N 3.35Å; E801-I963 HydrophobicContact CB-CD1 3.71Å; E801-I963 HydrophobicContact CB-CG1 4.27Å; E801-I963 HydrophobicContact CG-CD1 4.08Å; E801-I963 HydrophobicContact CG-CG1 4.1Å; E801-I963 HydrophobicContact CG-CG2 4.11Å
802G89.5Confident94.6Very high58 Ų5830.7 Ų30.760%0.59816%0.162SC*.THydrogen-bonded Turntrans76.313178.400000115.2W798 K799 K800W798-G802 PolarHBondContact O-N 2.57Å; K799-G802 PolarHBondContact O-N 3.29Å; K800-G802 VanDerWaalsContact C-N 3.32Å
803L92.9Very high94.6Very high19 Ų1926.3 Ų26.310%0.09915%0.145CC..  trans-107.196.4177.5-175.968.3000110.3W798 K799 E801 L805 Y956 K959 A960 I963W798-L803 CarbonylContact C-O 3.55Å; W798-L803 HydrophobicContact CB-CB 4.24Å; W798-L803 HydrophobicContact CB-CD2 4.45Å; W798-L803 HydrophobicContact CB-CG 4.47Å; W798-L803 WeakPolarHBondContact CB-O 3.39Å; W798-L803 HydrophobicContact CG-CD2 4.49Å; W798-L803 CarbonylContact O-C 3.22Å; W798-L803 WeakPolarHBondContact O-CA 3.38Å; W798-L803 PolarHBondContact O-N 3.27Å; W798-L803 VanDerWaalsContact O-O 3.14Å; K799-L803 PolarHBondContact N-O 3.44Å; E801-L803 VanDerWaalsContact C-N 3.32Å; E801-L803 PolarHBondContact O-N 3.35Å; L803-L805 HydrophobicContact CD1-CD2 3.76Å; L803-L805 HydrophobicContact CD1-CG 4.5Å; L803-L805 HydrophobicContact CD2-CD1 4.04Å; L803-L805 HydrophobicContact CD2-CD2 3.97Å; L803-L805 HydrophobicContact CD2-CG 4.05Å; L803-L805 HydrophobicContact CG-CD1 4.41Å; L803-L805 HydrophobicContact CG-CD2 3.67Å; L803-L805 HydrophobicContact CG-CG 3.86Å; L803-L805 PolarHBondContact O-N 2.85Å; L803-Y956 HydrophobicContact CD1-CD1 3.8Å; L803-Y956 HydrophobicContact CD1-CE1 4.2Å; L803-K959 HydrophobicContact CD2-CB 4.15Å; L803-A960 HydrophobicContact CD2-CB 4.03Å; L803-I963 HydrophobicContact CB-CD1 4.45Å; L803-I963 HydrophobicContact CD2-CD1 4.08Å
804D92.2Very high94.7Very high11 Ų1126.1 Ų26.16%0.05914%0.144CC..  trans-88.6104.5174.2-172.2-31.8000109.3A178 R267 K799 R806A178-D804 HydrophobicContact CB-CB 4.29Å; R267-D804 IonicContact NH1-OD1 3.71Å; R267-D804 PolarHBondContact NH1-OD1 3.19Å; R267-D804 IonicContact NH1-OD2 3.13Å; K799-D804 HydrophobicContact CG-CB 4.33Å; D804-R806 VanDerWaalsContact C-N 3.3Å; D804-R806 WeakPolarHBondContact O-CD 3.39Å; D804-R806 WeakPolarHBondContact OD1-CD 3.46Å; D804-R806 IonicContact OD1-CZ 3.74Å; D804-R806 PolarHBondContact OD1-N 3.08Å; D804-R806 IonicContact OD1-NE 3.61Å; D804-R806 IonicContact OD1-NH1 3.6Å; D804-R806 PolarHBondContact OD1-NH1 2.86Å; D804-R806 IonicContact OD2-CZ 3.9Å; D804-R806 IonicContact OD2-NH1 3.54Å; D804-R806 PolarHBondContact OD2-NH1 2.71Å
805L95.4Very high94.6Very high0 Ų026.4 Ų26.40%015%0.146CC..  trans-91.411.8-179.2-63.4-176.1000112.8W798 L803 M807 L874 S875 A960W798-L805 HydrophobicContact CD2-CD1 3.55Å; W798-L805 HydrophobicContact CD2-CG 4.27Å; W798-L805 HydrophobicContact CE3-CB 3.93Å; W798-L805 HydrophobicContact CE3-CD1 3.41Å; W798-L805 VanDerWaalsContact CE3-CD1 3.41Å; W798-L805 HydrophobicContact CE3-CG 3.95Å; W798-L805 HydrophobicContact CG-CD1 4.14Å; W798-L805 HydrophobicContact CH2-CD1 4.02Å; W798-L805 HydrophobicContact CZ2-CD1 4.13Å; W798-L805 HydrophobicContact CZ3-CB 4.23Å; W798-L805 HydrophobicContact CZ3-CD1 3.67Å; W798-L805 HydrophobicContact CZ3-CG 4.46Å; L803-L805 HydrophobicContact CD1-CD2 3.76Å; L803-L805 HydrophobicContact CD1-CG 4.5Å; L803-L805 HydrophobicContact CD2-CD1 4.04Å; L803-L805 HydrophobicContact CD2-CD2 3.97Å; L803-L805 HydrophobicContact CD2-CG 4.05Å; L803-L805 HydrophobicContact CG-CD1 4.41Å; L803-L805 HydrophobicContact CG-CD2 3.67Å; L803-L805 HydrophobicContact CG-CG 3.86Å; L803-L805 PolarHBondContact O-N 2.85Å; L805-M807 HydrophobicContact CB-CG 4.35Å; L805-M807 PolarHBondContact O-N 3.5Å; L805-M807 VanDerWaalsContact O-N 3.16Å; L805-L874 HydrophobicContact CD2-CD2 4.23Å; L805-L874 CarbonylContact O-C 3.4Å; L805-L874 VanDerWaalsContact O-C 3.3Å; L805-S875 WeakPolarHBondContact O-CA 3.34Å; L805-S875 PolarHBondContact O-N 3.33Å; L805-A960 HydrophobicContact CD1-CB 3.51Å
806R93.4Very high94.5Very high23 Ų2326.6 Ų26.69%0.08715%0.15CC..  trans60.728.6169.5-43.8-38.1-134.1-175.4-26.6113.8R267 E795 D804 E871 L874 Q903R267-R806 VanDerWaalsContact CZ-CD 3.47Å; R267-R806 VanDerWaalsContact NH2-CG 3.29Å; E795-R806 PolarHBondContact OE1-N 2.91Å; D804-R806 VanDerWaalsContact C-N 3.3Å; D804-R806 WeakPolarHBondContact O-CD 3.39Å; D804-R806 WeakPolarHBondContact OD1-CD 3.46Å; D804-R806 IonicContact OD1-CZ 3.74Å; D804-R806 PolarHBondContact OD1-N 3.08Å; D804-R806 IonicContact OD1-NE 3.61Å; D804-R806 IonicContact OD1-NH1 3.6Å; D804-R806 PolarHBondContact OD1-NH1 2.86Å; D804-R806 IonicContact OD2-CZ 3.9Å; D804-R806 IonicContact OD2-NH1 3.54Å; D804-R806 PolarHBondContact OD2-NH1 2.71Å; R806-E871 WeakPolarHBondContact CG-OE2 3.46Å; R806-E871 IonicContact CZ-OE1 2.81Å; R806-E871 IonicContact NE-OE1 3.54Å; R806-E871 PolarHBondContact NE-OE1 2.81Å; R806-E871 IonicContact NE-OE2 3.19Å; R806-E871 IonicContact NH2-OE1 2.9Å; R806-E871 PolarHBondContact NH2-OE1 2.83Å; R806-L874 HydrophobicContact CB-CB 4.45Å; R806-L874 HydrophobicContact CG-CB 3.66Å; R806-L874 HydrophobicContact CG-CD1 3.81Å; R806-L874 HydrophobicContact CG-CG 4.4Å; R806-Q903 PolarHBondContact O-NE2 2.65Å
807M95.3Very high94.5Very high14 Ų1429.1 Ų29.17%0.06916%0.163CC..  trans-64.4150.4-178.9-59.4-61.7-78.200111.9I791 E795 W798 L805 P809 G878 Y879 A882I791-M807 HydrophobicContact CG2-CB 4.32Å; I791-M807 HydrophobicContact CG2-CE 3.59Å; E795-M807 HydrophobicContact CB-CB 3.96Å; E795-M807 HydrophobicContact CB-CG 4.08Å; E795-M807 HydrophobicContact CG-CB 4.01Å; E795-M807 HydrophobicContact CG-CG 4.33Å; E795-M807 WeakPolarHBondContact OE2-CG 3.48Å; W798-M807 HydrophobicContact CE3-CG 4.24Å; W798-M807 HydrophobicContact CZ3-CE 4.27Å; W798-M807 HydrophobicContact CZ3-CG 3.72Å; W798-M807 HydrophobicContact CZ3-SD 4.03Å; L805-M807 HydrophobicContact CB-CG 4.35Å; L805-M807 PolarHBondContact O-N 3.5Å; L805-M807 VanDerWaalsContact O-N 3.16Å; M807-P809 VanDerWaalsContact C-CD 3.47Å; M807-P809 WeakPolarHBondContact O-CD 3.48Å; M807-G878 VanDerWaalsContact SD-C 3.56Å; M807-G878 VanDerWaalsContact SD-CA 3.59Å; M807-Y879 HydrophobicContact CE-CD1 3.71Å; M807-Y879 HydrophobicContact CE-CD2 3.61Å; M807-Y879 HydrophobicContact CE-CE1 3.75Å; M807-Y879 HydrophobicContact CE-CE2 3.64Å; M807-Y879 HydrophobicContact CE-CG 3.63Å; M807-Y879 HydrophobicContact SD-CD2 3.66Å; M807-Y879 HydrophobicContact SD-CE2 3.78Å; M807-Y879 HydrophobicContact SD-CG 4.19Å; M807-A882 HydrophobicContact CE-CB 4.2Å
808I95.6Very high94.5Very high23 Ų2333.8 Ų33.812%0.11818%0.183CC..  trans-121.779.6178.4-56.4169.1000109.3Y810 V825 Y879 R899 Q903 F905I808-Y810 VanDerWaalsContact C-N 3.25Å; I808-Y810 PolarHBondContact O-N 3.36Å; I808-V825 HydrophobicContact CG2-CG1 4.38Å; I808-V825 HydrophobicContact CG2-CG2 3.96Å; I808-Y879 PolarHBondContact N-OH 3.45Å; I808-Y879 PolarHBondContact O-OH 2.9Å; I808-R899 VanDerWaalsContact CD1-CD 3.49Å; I808-R899 HydrophobicContact CD1-CG 4.1Å; I808-Q903 HydrophobicContact CD1-CB 3.8Å; I808-F905 HydrophobicContact CB-CB 4.04Å; I808-F905 HydrophobicContact CB-CG 4.31Å; I808-F905 HydrophobicContact CD1-CB 4.2Å; I808-F905 HydrophobicContact CD1-CD1 3.78Å; I808-F905 HydrophobicContact CD1-CE1 4.48Å; I808-F905 HydrophobicContact CD1-CG 4.15Å
809P95.8Very high94.4Very high26 Ų2634.9 Ų34.917%0.16919%0.188CC..  trans-80.773.5173.233.7-34.4000110.3I791 R792 M807I791-P809 HydrophobicContact CG2-CB 4.2Å; R792-P809 HydrophobicContact CB-CB 3.83Å; R792-P809 HydrophobicContact CB-CG 3.89Å; R792-P809 HydrophobicContact CG-CB 4.48Å; R792-P809 HydrophobicContact CG-CG 4.06Å; R792-P809 PolarHBondContact NH2-O 3.19Å; M807-P809 VanDerWaalsContact C-CD 3.47Å; M807-P809 WeakPolarHBondContact O-CD 3.48Å
810Y96.7Very high94.7Very high10 Ų1034 Ų344%0.03918%0.184CC..  trans-55.2153.5-179.758-94000112.1L788 I808 C812 I822 V825 F905 H906 I907 F909L788-Y810 HydrophobicContact CD1-CD2 3.97Å; L788-Y810 HydrophobicContact CD1-CE2 3.54Å; L788-Y810 HydrophobicContact CD2-CD1 3.97Å; L788-Y810 HydrophobicContact CD2-CD2 4.31Å; L788-Y810 HydrophobicContact CD2-CE1 3.78Å; L788-Y810 HydrophobicContact CD2-CE2 4.15Å; L788-Y810 HydrophobicContact CD2-CG 4.22Å; L788-Y810 HydrophobicContact CG-CE2 4.46Å; I808-Y810 VanDerWaalsContact C-N 3.25Å; I808-Y810 PolarHBondContact O-N 3.36Å; Y810-C812 PolarHBondContact O-N 2.94Å; Y810-I822 HydrophobicContact CD2-CG2 3.77Å; Y810-I822 HydrophobicContact CE2-CG2 3.61Å; Y810-V825 HydrophobicContact CD1-CG2 4.37Å; Y810-V825 HydrophobicContact CG-CG2 4.33Å; Y810-F905 HydrophobicContact CD1-CD2 4.28Å; Y810-F905 HydrophobicContact CE1-CD2 4.33Å; Y810-H906 WeakPolarHBondContact CE1-O 3.31Å; Y810-I907 HydrophobicContact CE1-CG2 3.81Å; Y810-I907 WeakPolarHBondContact OH-CA 3.32Å; Y810-F909 HydrophobicContact CE1-CE2 4.24Å; Y810-F909 WeakPolarHBondContact OH-CE2 3.4Å
811G96.7Very high95.1Very high10 Ų1028 Ų2810%0.10316%0.158CC..  trans-61.2131.6179.300000112.2I822 E823G811-I822 CarbonylContact O-C 3.59Å; G811-I822 WeakPolarHBondContact O-CA 2.97Å; G811-E823 PolarHBondContact N-OE2 3.03Å; G811-E823 PolarHBondContact O-N 3.37Å
812C97.9Very high95.4Very high19 Ų1923.5 Ų23.513%0.12814%0.138CC..EExtended strand (participates in β ladder)trans-139.3132.5169.1-177.40000107.8M785 L788 Y810 L821M785-C812 HydrophobicContact CG-CB 4.2Å; M785-C812 WeakPolarHBondContact CG-O 3.34Å; L788-C812 HydrophobicContact CD1-CB 3.38Å; Y810-C812 PolarHBondContact O-N 2.94Å; C812-L821 WeakPolarHBondContact CA-O 3.3Å
813L98.3Very high95.8Very high3 Ų325.1 Ų25.12%0.01613%0.13CC..EExtended strand (participates in β ladder)trans-144.3116.3-178-176.666.2000110.5W651 P732 L733 M785 T815 G820 L821W651-L813 HydrophobicContact CB-CD1 4Å; W651-L813 HydrophobicContact CB-CD2 3.99Å; W651-L813 HydrophobicContact CB-CG 4.37Å; W651-L813 HydrophobicContact CD2-CD2 4.37Å; W651-L813 HydrophobicContact CG-CD2 3.86Å; P732-L813 HydrophobicContact CB-CD2 3.87Å; P732-L813 VanDerWaalsContact O-CD2 3.28Å; P732-L813 WeakPolarHBondContact O-CD2 3.46Å; L733-L813 HydrophobicContact CD2-CB 3.77Å; M785-L813 HydrophobicContact CE-CD1 3.8Å; L813-T815 HydrophobicContact CD2-CG2 4.14Å; L813-T815 HydrophobicContact CG-CG2 4.1Å; L813-G820 CarbonylContact O-C 3.58Å; L813-G820 WeakPolarHBondContact O-CA 3.38Å; L813-L821 PolarHBondContact N-O 2.83Å; L813-L821 PolarHBondContact O-N 2.87Å
814S97.6Very high95.9Very high2 Ų225 Ų251%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-69.6128.9164.6-175.20000108.6S655 M785 G816S655-S814 WeakPolarHBondContact CB-O 3.06Å; M785-S814 VanDerWaalsContact SD-CB 3.51Å; M785-S814 PolarHBondContact SD-N 3.31Å; S814-G816 PolarHBondContact OG-O 3.35Å
815T96.4Very high96Very high6 Ų625.5 Ų25.54%0.03713%0.132CC..EExtended strand (participates in β ladder)trans-117.9-5.7-178.358.30000112.6W651 L691 L813 M819 G820W651-T815 HydrophobicContact CD2-CG2 4.42Å; W651-T815 HydrophobicContact CE3-CG2 3.84Å; W651-T815 HydrophobicContact CZ3-CG2 4.05Å; L691-T815 HydrophobicContact CD1-CG2 3.92Å; L691-T815 HydrophobicContact CD2-CG2 4.3Å; L813-T815 HydrophobicContact CD2-CG2 4.14Å; L813-T815 HydrophobicContact CG-CG2 4.1Å; T815-M819 PolarHBondContact N-O 2.95Å; T815-G820 WeakPolarHBondContact OG1-CA 3.24Å
816G93.9Very high95.6Very high10 Ų1029 Ų2910%0.10315%0.148CC..EExtended strand (participates in β ladder)trans-178-166.2179.400000112.9S655 S814 K818 M819S655-G816 CarbonylContact O-C 3.58Å; S814-G816 PolarHBondContact OG-O 3.35Å; G816-K818 PolarHBondContact O-N 2.91Å; G816-M819 PolarHBondContact N-O 3.04Å; G816-M819 PolarHBondContact O-N 3.25Å
817N93.7Very high95.5Very high94 Ų9431 Ų3150%0.50317%0.165SC..THydrogen-bonded Turntrans-63.2109.8178.7-173.55000111.2H658 M819H658-N817 HydrophobicContact CB-CB 4.35Å; N817-M819 PolarHBondContact O-N 3.13Å
818K94.1Very high95.4Very high116 Ų11631.8 Ų31.850%0.50417%0.172SC..THydrogen-bonded Turntrans51.138.3-179.7-62.4179.5-179-175.20112.9N777 G778 D779 D780 G816N777-K818 CarbonylContact C-O 3.52Å; G778-K818 PolarHBondContact N-O 3.38Å; D779-K818 PolarHBondContact N-O 3.03Å; D779-K818 CarbonylContact O-C 3.32Å; D779-K818 VanDerWaalsContact O-CA 3.22Å; D779-K818 WeakPolarHBondContact O-CA 3.38Å; D780-K818 HydrophobicContact CB-CG 4.45Å; G816-K818 PolarHBondContact O-N 2.91Å
819M94.9Very high95.3Very high24 Ų2432.5 Ų32.512%0.11818%0.176CC..EExtended strand (participates in β ladder)trans-145152176.563.6173.8-7900112.1L691 K695 F775 K776 N777 T815 G816 N817L691-M819 HydrophobicContact CB-CE 4.42Å; L691-M819 HydrophobicContact CD2-CE 4.41Å; K695-M819 HydrophobicContact CD-SD 4.19Å; F775-M819 HydrophobicContact CE2-CE 3.68Å; F775-M819 HydrophobicContact CZ-CE 3.84Å; K776-M819 CarbonylContact O-C 3.57Å; K776-M819 WeakPolarHBondContact O-CA 3.49Å; N777-M819 HydrophobicContact CB-CB 4.45Å; T815-M819 PolarHBondContact N-O 2.95Å; G816-M819 PolarHBondContact N-O 3.04Å; G816-M819 PolarHBondContact O-N 3.25Å; N817-M819 PolarHBondContact O-N 3.13Å
820G97.4Very high95.1Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans172.8-166175.100000113.8K776 L813 T815K776-G820 PolarHBondContact N-O 2.7Å; K776-G820 PolarHBondContact O-N 2.83Å; L813-G820 CarbonylContact O-C 3.58Å; L813-G820 WeakPolarHBondContact O-CA 3.38Å; T815-G820 WeakPolarHBondContact OG1-CA 3.24Å
821L98.4Very high94.8Very high1 Ų131.6 Ų31.61%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-120.2145.6-171.5-63173.6000111L691 M694 P732 L733 I773 I774 F775 C812 L813L691-L821 HydrophobicContact CD2-CD1 4.11Å; L691-L821 HydrophobicContact CD2-CD2 4.2Å; L691-L821 HydrophobicContact CD2-CG 4.12Å; M694-L821 HydrophobicContact SD-CD2 4.09Å; P732-L821 HydrophobicContact CB-CD1 3.83Å; P732-L821 HydrophobicContact CG-CD1 3.68Å; L733-L821 HydrophobicContact CD1-CB 3.98Å; L733-L821 HydrophobicContact CD2-CB 3.92Å; L733-L821 HydrophobicContact CG-CB 3.87Å; L733-L821 HydrophobicContact CG-CD1 4.48Å; I773-L821 HydrophobicContact CD1-CD2 4.22Å; I774-L821 CarbonylContact O-C 3.4Å; I774-L821 VanDerWaalsContact O-CA 3.31Å; I774-L821 WeakPolarHBondContact O-CA 3.47Å; F775-L821 HydrophobicContact CB-CD2 4.06Å; F775-L821 HydrophobicContact CD2-CD2 3.82Å; F775-L821 HydrophobicContact CG-CD2 4.46Å; C812-L821 WeakPolarHBondContact CA-O 3.3Å; L813-L821 PolarHBondContact N-O 2.83Å; L813-L821 PolarHBondContact O-N 2.87Å
822I97.9Very high94.3Very high24 Ų2431.4 Ų31.412%0.12317%0.169CC..EExtended strand (participates in β ladder)trans-129.9134.3173.1-60.2170.3000108.2I773 I774 K776 L781 Y810 G811I773-I822 CarbonylContact C-O 3.53Å; I773-I822 WeakPolarHBondContact CA-O 3.49Å; I774-I822 HydrophobicContact CB-CB 4.18Å; I774-I822 PolarHBondContact N-O 3.33Å; I774-I822 PolarHBondContact O-N 3.28Å; K776-I822 HydrophobicContact CD-CD1 4.36Å; L781-I822 HydrophobicContact CD1-CD1 4.46Å; L781-I822 HydrophobicContact CD1-CG1 4.19Å; L781-I822 HydrophobicContact CD2-CD1 4.08Å; Y810-I822 HydrophobicContact CD2-CG2 3.77Å; Y810-I822 HydrophobicContact CE2-CG2 3.61Å; G811-I822 CarbonylContact O-C 3.59Å; G811-I822 WeakPolarHBondContact O-CA 2.97Å
823E97.1Very high93.8Very high93 Ų9332.9 Ų32.944%0.43518%0.176SC..EExtended strand (participates in β ladder)trans-70.3135.2175.8-179.2-177.5-171.200110.9L733 G811L733-E823 HydrophobicContact CD1-CB 4.13Å; G811-E823 PolarHBondContact N-OE2 3.03Å; G811-E823 PolarHBondContact O-N 3.37Å
824I95.1Very high93.3Very high15 Ų1532.8 Ų32.88%0.07718%0.175CC..  trans-83.8119.6172-67.1171.2000109.8W758 M760 G772 I774 K826W758-I824 HydrophobicContact CD2-CD1 3.45Å; W758-I824 VanDerWaalsContact CD2-CD1 3.45Å; W758-I824 HydrophobicContact CD2-CG1 4.44Å; W758-I824 HydrophobicContact CE3-CD1 3.72Å; W758-I824 HydrophobicContact CE3-CG1 4.25Å; W758-I824 HydrophobicContact CG-CD1 4.02Å; W758-I824 HydrophobicContact CH2-CB 4.38Å; W758-I824 HydrophobicContact CH2-CD1 3.85Å; W758-I824 HydrophobicContact CH2-CG1 4.02Å; W758-I824 HydrophobicContact CH2-CG2 3.46Å; W758-I824 VanDerWaalsContact CH2-CG2 3.46Å; W758-I824 HydrophobicContact CZ2-CD1 3.59Å; W758-I824 HydrophobicContact CZ2-CG1 4.22Å; W758-I824 HydrophobicContact CZ2-CG2 3.62Å; W758-I824 HydrophobicContact CZ3-CD1 3.9Å; W758-I824 HydrophobicContact CZ3-CG1 4.03Å; W758-I824 HydrophobicContact CZ3-CG2 4.27Å; M760-I824 HydrophobicContact SD-CD1 4.02Å; G772-I824 WeakPolarHBondContact O-CB 3.41Å; G772-I824 PolarHBondContact O-N 3.07Å; I774-I824 HydrophobicContact CD1-CG1 4.03Å; I774-I824 HydrophobicContact CG1-CD1 3.93Å; I774-I824 HydrophobicContact CG1-CG1 3.7Å; I824-K826 PolarHBondContact O-N 3.18Å
825V93.6Very high92.6Very high22 Ų2233 Ų3313%0.13318%0.175CC..  trans-78.8107.8169.7-176.70000109.4I808 Y810 S828 R899 F905I808-V825 HydrophobicContact CG2-CG1 4.38Å; I808-V825 HydrophobicContact CG2-CG2 3.96Å; Y810-V825 HydrophobicContact CD1-CG2 4.37Å; Y810-V825 HydrophobicContact CG-CG2 4.33Å; V825-S828 PolarHBondContact O-OG 3.43Å; V825-R899 HydrophobicContact CG1-CG 3.99Å; V825-F905 HydrophobicContact CB-CE1 4.39Å; V825-F905 HydrophobicContact CB-CE2 4.08Å; V825-F905 HydrophobicContact CB-CZ 3.69Å; V825-F905 HydrophobicContact CG1-CE1 3.94Å; V825-F905 HydrophobicContact CG1-CE2 4.43Å; V825-F905 HydrophobicContact CG1-CZ 3.76Å; V825-F905 HydrophobicContact CG2-CE2 3.89Å; V825-F905 HydrophobicContact CG2-CZ 4.02Å
826K88.6Confident91.9Very high73 Ų7336.9 Ų36.932%0.31719%0.19SC..SBendtrans-65.6158.9-178.2-50.3-175.5-151.9-174.40112.7D769 M770 I824 S828D769-K826 IonicContact OD1-NZ 3.59Å; D769-K826 PolarHBondContact OD1-NZ 3.33Å; M770-K826 VanDerWaalsContact C-NZ 3.34Å; M770-K826 WeakPolarHBondContact O-CD 3.35Å; M770-K826 WeakPolarHBondContact O-CE 3.37Å; M770-K826 PolarHBondContact O-NZ 2.93Å; I824-K826 PolarHBondContact O-N 3.18Å; K826-S828 PolarHBondContact O-N 3.27Å
827S90.4Very high91Very high66 Ų6642.2 Ų42.246%0.46222%0.216SC..SBendtrans49.546.1178-64.40000111.7R899 E900S827-R899 CarbonylContact O-C 3.56Å; S827-R899 VanDerWaalsContact O-CA 3.24Å; S827-R899 WeakPolarHBondContact O-CA 3.44Å; S827-E900 WeakPolarHBondContact CB-OE2 3.38Å; S827-E900 PolarHBondContact O-N 3.46Å; S827-E900 PolarHBondContact OG-OE2 3.19Å
828S93.5Very high89.6Confident30 Ų3041 Ų4121%0.2121%0.21CC..EExtended strand (participates in β ladder)trans-131.1151.4178.371.40000110.4V825 K826 M897 I898V825-S828 PolarHBondContact O-OG 3.43Å; K826-S828 PolarHBondContact O-N 3.27Å; S828-M897 VanDerWaalsContact OG-CE 3.23Å; S828-M897 WeakPolarHBondContact OG-CE 3.37Å; S828-I898 VanDerWaalsContact CA-O 3.3Å; S828-I898 WeakPolarHBondContact CA-O 3.29Å
829D92.8Very high87.9Confident38 Ų3837 Ų3720%0.20320%0.196CC..EExtended strand (participates in β ladder)trans-140.8156.1174.5-153.3-8000110.8N833 I834 M897 I898D829-N833 WeakPolarHBondContact OD1-CB 3.42Å; D829-N833 PolarHBondContact OD1-ND2 2.92Å; D829-I834 HydrophobicContact CB-CD1 4.26Å; D829-I834 HydrophobicContact CB-CG1 4.02Å; D829-M897 CarbonylContact O-C 3.54Å; D829-M897 VanDerWaalsContact O-CA 3.24Å; D829-M897 WeakPolarHBondContact O-CA 3.49Å; D829-I898 PolarHBondContact N-O 3.21Å; D829-I898 PolarHBondContact O-N 3.09Å
830T92Very high86Confident17 Ų1744.6 Ų44.610%0.10424%0.237CC..EExtended strand (participates in β ladder)trans-73.6148.5175.3650000110A832 N833 I834 M897T830-A832 PolarHBondContact O-N 3.13Å; T830-N833 PolarHBondContact O-N 3.03Å; T830-N833 VanDerWaalsContact O-N 3.12Å; T830-N833 WeakPolarHBondContact OG1-CB 3.38Å; T830-N833 PolarHBondContact OG1-N 2.81Å; T830-N833 PolarHBondContact OG1-ND2 2.92Å; T830-I834 WeakPolarHBondContact O-CG1 3.36Å; T830-I834 PolarHBondContact O-N 3.16Å; T830-M897 HydrophobicContact CG2-CE 4.28Å; T830-M897 HydrophobicContact CG2-CG 3.98Å; T830-M897 HydrophobicContact CG2-SD 4.45Å
831I89.9Confident84Confident0 Ų047.1 Ų47.10%026%0.255CS..Hα-helixtrans-55.1-39.6174.1-67.9175.1000110.8N833 I834 Q835 L852 N893 I896 I898 F935I831-N833 VanDerWaalsContact C-N 3.33Å; I831-N833 PolarHBondContact O-N 3.02Å; I831-I834 PolarHBondContact O-N 3.32Å; I831-Q835 HydrophobicContact CG2-CG 4.22Å; I831-Q835 WeakPolarHBondContact O-CB 3.44Å; I831-Q835 WeakPolarHBondContact O-CG 3.25Å; I831-Q835 PolarHBondContact O-N 2.95Å; I831-L852 HydrophobicContact CG1-CD2 4.35Å; I831-L852 HydrophobicContact CG2-CD1 4.43Å; I831-L852 HydrophobicContact CG2-CD2 4.2Å; I831-N893 HydrophobicContact CB-CB 4.01Å; I831-N893 HydrophobicContact CG2-CB 3.82Å; I831-N893 PolarHBondContact N-O 3.13Å; I831-I896 HydrophobicContact CD1-CB 3.71Å; I831-I896 HydrophobicContact CD1-CG2 3.48Å; I831-I896 VanDerWaalsContact CD1-CG2 3.48Å; I831-I896 HydrophobicContact CG1-CB 4.39Å; I831-I896 HydrophobicContact CG1-CG2 4.27Å; I831-I896 PolarHBondContact N-O 2.7Å; I831-I898 HydrophobicContact CG1-CD1 4.02Å; I831-I898 HydrophobicContact CG1-CG1 4.27Å; I831-F935 HydrophobicContact CD1-CE1 3.35Å; I831-F935 HydrophobicContact CD1-CZ 3.41Å; I831-F935 VanDerWaalsContact CD1-CZ 3.41Å
832A87.1Confident81.9Confident6 Ų649.5 Ų49.55%0.0527%0.274CS..Hα-helixtrans-61.4-41.4-179.500000112.1T830 R836 N893 D894T830-A832 PolarHBondContact O-N 3.13Å; A832-R836 VanDerWaalsContact CB-NH2 3.3Å; A832-R836 WeakPolarHBondContact O-CB 3.18Å; A832-R836 WeakPolarHBondContact O-CG 3.36Å; A832-R836 PolarHBondContact O-N 3.18Å; A832-N893 HydrophobicContact CB-CB 3.82Å; A832-N893 PolarHBondContact N-O 2.87Å; A832-D894 WeakPolarHBondContact CB-OD1 3.43Å
833N87.6Confident79.7Confident51 Ų5150.9 Ų50.927%0.27329%0.289SS..Hα-helixtrans-67.6-43.8175.3-69.9-13.2000111.8D829 T830 I831 Q835 R836 N837D829-N833 WeakPolarHBondContact OD1-CB 3.42Å; D829-N833 PolarHBondContact OD1-ND2 2.92Å; T830-N833 PolarHBondContact O-N 3.03Å; T830-N833 VanDerWaalsContact O-N 3.12Å; T830-N833 WeakPolarHBondContact OG1-CB 3.38Å; T830-N833 PolarHBondContact OG1-N 2.81Å; T830-N833 PolarHBondContact OG1-ND2 2.92Å; I831-N833 VanDerWaalsContact C-N 3.33Å; I831-N833 PolarHBondContact O-N 3.02Å; N833-Q835 VanDerWaalsContact C-N 3.3Å; N833-Q835 PolarHBondContact O-N 3.01Å; N833-R836 PolarHBondContact O-N 2.86Å; N833-R836 PolarHBondContact OD1-NH1 3.01Å; N833-R836 PolarHBondContact OD1-NH2 3.17Å; N833-N837 WeakPolarHBondContact O-CB 3.28Å; N833-N837 VanDerWaalsContact O-CG 3.24Å; N833-N837 PolarHBondContact O-N 2.74Å; N833-N837 PolarHBondContact O-ND2 2.89Å
834I87.3Confident77.7Confident0 Ų050.4 Ų50.40%029%0.293CS..Hα-helixtrans-60.6-40.8179.1-64.2166.9000111.3D829 T830 I831 N838 L852 W855 I898D829-I834 HydrophobicContact CB-CD1 4.26Å; D829-I834 HydrophobicContact CB-CG1 4.02Å; T830-I834 WeakPolarHBondContact O-CG1 3.36Å; T830-I834 PolarHBondContact O-N 3.16Å; I831-I834 PolarHBondContact O-N 3.32Å; I834-N838 PolarHBondContact O-ND2 3Å; I834-L852 HydrophobicContact CB-CD2 4.14Å; I834-L852 HydrophobicContact CD1-CD2 4.24Å; I834-L852 HydrophobicContact CG2-CD2 3.75Å; I834-W855 HydrophobicContact CD1-CD2 3.9Å; I834-W855 HydrophobicContact CD1-CE3 3.99Å; I834-W855 HydrophobicContact CD1-CG 4.44Å; I834-W855 HydrophobicContact CD1-CH2 4.24Å; I834-W855 HydrophobicContact CD1-CZ2 4.17Å; I834-W855 HydrophobicContact CD1-CZ3 4.17Å; I834-W855 HydrophobicContact CG1-CD2 4.11Å; I834-W855 HydrophobicContact CG1-CG 4.24Å; I834-W855 HydrophobicContact CG1-CZ2 4.47Å; I834-W855 HydrophobicContact CG2-CB 3.49Å; I834-W855 VanDerWaalsContact CG2-CB 3.49Å; I834-W855 HydrophobicContact CG2-CD2 4.12Å; I834-W855 HydrophobicContact CG2-CG 3.53Å; I834-I898 HydrophobicContact CD1-CB 4.29Å; I834-I898 HydrophobicContact CD1-CD1 4.34Å
835Q83.8Confident76Confident6 Ų649.8 Ų49.83%0.02829%0.29CS..Hα-helixtrans-68.1-46.2176.7-73178-22.100111.6I831 N833 N837 N838 A851 N893 D934I831-Q835 HydrophobicContact CG2-CG 4.22Å; I831-Q835 WeakPolarHBondContact O-CB 3.44Å; I831-Q835 WeakPolarHBondContact O-CG 3.25Å; I831-Q835 PolarHBondContact O-N 2.95Å; N833-Q835 VanDerWaalsContact C-N 3.3Å; N833-Q835 PolarHBondContact O-N 3.01Å; Q835-N837 PolarHBondContact O-N 2.82Å; Q835-N838 PolarHBondContact O-N 3.37Å; Q835-A851 HydrophobicContact CG-CB 4.45Å; Q835-N893 PolarHBondContact OE1-ND2 2.94Å; Q835-D934 PolarHBondContact NE2-OD2 3.2Å
836R80.1Confident74.2Confident88 Ų8849.3 Ų49.333%0.33229%0.289SS..Hα-helixtrans-60.7-40.9179.2-79.8-172.9-106.4105.6-0.5112.7A832 N833 N838 S839 D894A832-R836 VanDerWaalsContact CB-NH2 3.3Å; A832-R836 WeakPolarHBondContact O-CB 3.18Å; A832-R836 WeakPolarHBondContact O-CG 3.36Å; A832-R836 PolarHBondContact O-N 3.18Å; N833-R836 PolarHBondContact O-N 2.86Å; N833-R836 PolarHBondContact OD1-NH1 3.01Å; N833-R836 PolarHBondContact OD1-NH2 3.17Å; R836-N838 PolarHBondContact O-N 2.89Å; R836-S839 PolarHBondContact O-N 2.83Å; R836-D894 IonicContact NH2-OD1 3.74Å
837N76Confident72.7Confident123 Ų12350 Ų5066%0.65829%0.291SS*.Hα-helixtrans-69.6-17.6-178.2-68.9-15.8000113.9N833 Q835N833-N837 WeakPolarHBondContact O-CB 3.28Å; N833-N837 VanDerWaalsContact O-CG 3.24Å; N833-N837 PolarHBondContact O-N 2.74Å; N833-N837 PolarHBondContact O-ND2 2.89Å; Q835-N837 PolarHBondContact O-N 2.82Å
838N64.1Low71.7Confident69 Ų6949.2 Ų49.237%0.36928%0.282SS..THydrogen-bonded Turntrans-104.516.5-176.7-77.5-51.9000113.2I834 Q835 R836 A851I834-N838 PolarHBondContact O-ND2 3Å; Q835-N838 PolarHBondContact O-N 3.37Å; R836-N838 PolarHBondContact O-N 2.89Å; N838-A851 HydrophobicContact CB-CB 4.09Å; N838-A851 PolarHBondContact ND2-O 3.42Å
839S59.2Low70.5Confident30 Ų3051.5 Ų51.521%0.2129%0.288CS..  trans-148.9137-175.4-66.90000113R836 S841 A845R836-S839 PolarHBondContact O-N 2.83Å; S839-S841 PolarHBondContact O-N 3.45Å; S839-A845 WeakPolarHBondContact OG-CA 3.27Å
840N54.1Low69.9Low184 Ų18453.1 Ų53.198%0.98430%0.297SS*.SBendtrans-75.2-2.1-179.6-66.4-15.7000114
841S55.1Low69.6Low54 Ų5452.4 Ų52.438%0.37829%0.293SS..  trans-143.4128.4177.3171.50000110.9S839 A843 T844 A845S839-S841 PolarHBondContact O-N 3.45Å; S841-A843 VanDerWaalsContact C-N 3.26Å; S841-A843 PolarHBondContact O-N 2.81Å; S841-T844 WeakPolarHBondContact CB-OG1 3.45Å; S841-T844 PolarHBondContact O-N 3.28Å; S841-T844 PolarHBondContact O-OG1 3.03Å; S841-A845 WeakPolarHBondContact O-CB 3.47Å; S841-A845 PolarHBondContact O-N 3.46Å
842A53.9Low69.6Low50 Ų5052.5 Ų52.541%0.41329%0.293SS..Hα-helixtrans-61.3-32.7-179.100000112.7
843A53Low69.7Low53 Ų5352.3 Ų52.344%0.43829%0.291SS..Hα-helixtrans-73.7-30.1-179.700000113.5S841S841-A843 VanDerWaalsContact C-N 3.26Å; S841-A843 PolarHBondContact O-N 2.81Å
844T54.8Low69.9Low84 Ų8453.1 Ų53.152%0.51530%0.296SS..Hα-helixtrans-95.3-15.5178.458.30000113.4S841 A846 F847S841-T844 WeakPolarHBondContact CB-OG1 3.45Å; S841-T844 PolarHBondContact O-N 3.28Å; S841-T844 PolarHBondContact O-OG1 3.03Å; T844-A846 VanDerWaalsContact C-N 3.32Å; T844-A846 PolarHBondContact O-N 3.24Å; T844-F847 PolarHBondContact O-N 3.41Å
845A58.5Low70.1Confident2 Ų254.5 Ų54.52%0.01730%0.301CS..Hα-helixtrans-56.4-40.3179.900000114S839 S841 F847 N848S839-A845 WeakPolarHBondContact OG-CA 3.27Å; S841-A845 WeakPolarHBondContact O-CB 3.47Å; S841-A845 PolarHBondContact O-N 3.46Å; A845-F847 PolarHBondContact O-N 2.95Å; A845-N848 PolarHBondContact O-N 3.34Å
846A56.6Low70.5Confident12 Ų1254.2 Ų54.210%0.09930%0.3CS..THydrogen-bonded Turntrans-67.7-15.3178.200000113.3T844 K1027T844-A846 VanDerWaalsContact C-N 3.32Å; T844-A846 PolarHBondContact O-N 3.24Å; A846-K1027 WeakPolarHBondContact O-CE 3.45Å; A846-K1027 PolarHBondContact O-NZ 3.28Å
847F57.9Low71.1Confident86 Ų8654.3 Ų54.338%0.37730%0.303SS..THydrogen-bonded Turntrans-94.9-13-179.8-70.3-79.4000114.1T844 A845 K849 K1027 M1031T844-F847 PolarHBondContact O-N 3.41Å; A845-F847 PolarHBondContact O-N 2.95Å; F847-K849 PolarHBondContact O-N 3.33Å; F847-K1027 PolarHBondContact O-NZ 2.92Å; F847-M1031 HydrophobicContact CE2-CG 4.21Å; F847-M1031 HydrophobicContact CE2-SD 3.52Å; F847-M1031 VanDerWaalsContact CE2-SD 3.52Å; F847-M1031 HydrophobicContact CZ-CG 4.41Å; F847-M1031 HydrophobicContact CZ-SD 3.47Å; F847-M1031 WeakPolarHBondContact CZ-SD 3.39Å
848N67.8Low71.9Confident50 Ų5052.3 Ų52.327%0.26730%0.298SS..  trans-73.495.1178.2-172.2-7000111A845 D850 A851A845-N848 PolarHBondContact O-N 3.34Å; N848-D850 PolarHBondContact O-N 2.92Å; N848-D850 PolarHBondContact OD1-N 3.48Å; N848-D850 VanDerWaalsContact OD1-N 3.17Å; N848-A851 HydrophobicContact CB-CB 4.15Å; N848-A851 WeakPolarHBondContact O-CB 3.35Å; N848-A851 PolarHBondContact O-N 3.38Å; N848-A851 PolarHBondContact OD1-N 3.49Å
849K69.1Low73.3Confident79 Ų7953.3 Ų53.334%0.34330%0.299SS..THydrogen-bonded Turntrans-63.5-27.7-178.9-68.1161.4164.7-1620112.5F847 Y933 H937F847-K849 PolarHBondContact O-N 3.33Å; K849-Y933 HydrophobicContact CB-CE1 4.45Å; K849-Y933 HydrophobicContact CD-CD1 3.66Å; K849-Y933 HydrophobicContact CD-CE1 3.32Å; K849-Y933 HydrophobicContact CG-CD1 3.8Å; K849-Y933 HydrophobicContact CG-CE1 3.88Å; K849-Y933 PolarHBondContact NZ-OH 2.89Å; K849-H937 PolarHBondContact O-CD2 3.41Å; K849-H937 VanDerWaalsContact O-CD2 3.29Å
850D81.1Confident74.9Confident72 Ų7252.9 Ų52.939%0.38529%0.294SS..THydrogen-bonded Turntrans-82.1-12.9-179.7-62.9-69.7000112.9N848 L852 L853 N854 H937N848-D850 PolarHBondContact O-N 2.92Å; N848-D850 PolarHBondContact OD1-N 3.48Å; N848-D850 VanDerWaalsContact OD1-N 3.17Å; D850-L852 PolarHBondContact O-N 3.32Å; D850-L853 PolarHBondContact O-N 3.25Å; D850-N854 VanDerWaalsContact O-CB 3.24Å; D850-N854 WeakPolarHBondContact O-CB 3.4Å; D850-N854 PolarHBondContact O-N 2.84Å; D850-N854 PolarHBondContact O-ND2 3.07Å; D850-H937 IonicContact OD1-CE1 3.7Å; D850-H937 IonicContact OD1-NE2 3.49Å; D850-H937 PolarHBondContact OD1-NE2 3Å
851A85.3Confident76.6Confident1 Ų148.4 Ų48.41%0.00828%0.276CS..Hα-helixtrans-57.9-45.7-173.200000113Q835 N838 N848 W855Q835-A851 HydrophobicContact CG-CB 4.45Å; N838-A851 HydrophobicContact CB-CB 4.09Å; N838-A851 PolarHBondContact ND2-O 3.42Å; N848-A851 HydrophobicContact CB-CB 4.15Å; N848-A851 WeakPolarHBondContact O-CB 3.35Å; N848-A851 PolarHBondContact O-N 3.38Å; N848-A851 PolarHBondContact OD1-N 3.49Å; A851-W855 WeakPolarHBondContact O-CB 3.47Å; A851-W855 PolarHBondContact O-N 3.27Å
852L88.6Confident78.2Confident2 Ų248.8 Ų48.81%0.0129%0.288CS..Hα-helixtrans-65.8-45.7178.4-70.4-176.6000111.7I831 I834 D850 W855 L856 I898 D934 F935 V938I831-L852 HydrophobicContact CG1-CD2 4.35Å; I831-L852 HydrophobicContact CG2-CD1 4.43Å; I831-L852 HydrophobicContact CG2-CD2 4.2Å; I834-L852 HydrophobicContact CB-CD2 4.14Å; I834-L852 HydrophobicContact CD1-CD2 4.24Å; I834-L852 HydrophobicContact CG2-CD2 3.75Å; D850-L852 PolarHBondContact O-N 3.32Å; L852-W855 PolarHBondContact O-N 3.05Å; L852-L856 WeakPolarHBondContact O-CG 3.16Å; L852-L856 PolarHBondContact O-N 2.82Å; L852-I898 HydrophobicContact CD1-CD1 4.32Å; L852-I898 HydrophobicContact CD2-CD1 3.76Å; L852-D934 HydrophobicContact CD1-CB 4Å; L852-F935 HydrophobicContact CD1-CD1 4.16Å; L852-F935 HydrophobicContact CD1-CE1 4.1Å; L852-V938 HydrophobicContact CB-CG2 3.9Å
853L90.6Very high79.6Confident2 Ų253.7 Ų53.71%0.0131%0.307CS..Hα-helixtrans-66.3-40-179.9-178.559.7000111.5D850 L856 K857 I869 V938D850-L853 PolarHBondContact O-N 3.25Å; L853-L856 PolarHBondContact O-N 2.77Å; L853-K857 HydrophobicContact CG-CD 4.39Å; L853-K857 WeakPolarHBondContact O-CB 3.22Å; L853-K857 VanDerWaalsContact O-CG 3.3Å; L853-K857 WeakPolarHBondContact O-CG 3.2Å; L853-K857 PolarHBondContact O-N 2.98Å; L853-I869 HydrophobicContact CD1-CD1 4Å; L853-V938 HydrophobicContact CB-CG2 4.26Å
854N90.4Very high81.2Confident69 Ų6957.4 Ų57.437%0.36931%0.313SS..Hα-helixtrans-67.3-38.3176.5-70.9-18.4000111.8D850 K857 S858D850-N854 VanDerWaalsContact O-CB 3.24Å; D850-N854 WeakPolarHBondContact O-CB 3.4Å; D850-N854 PolarHBondContact O-N 2.84Å; D850-N854 PolarHBondContact O-ND2 3.07Å; N854-K857 WeakPolarHBondContact O-CB 3.5Å; N854-K857 PolarHBondContact O-N 3.32Å; N854-S858 WeakPolarHBondContact O-CB 3.21Å; N854-S858 PolarHBondContact O-N 3.04Å
855W91.9Very high83Confident28 Ų2855 Ų5511%0.10630%0.297CS..Hα-helixtrans-61.8-46172-177.387.6000111.2I834 A851 L852 K857 S858 K859 I898 E900I834-W855 HydrophobicContact CD1-CD2 3.9Å; I834-W855 HydrophobicContact CD1-CE3 3.99Å; I834-W855 HydrophobicContact CD1-CG 4.44Å; I834-W855 HydrophobicContact CD1-CH2 4.24Å; I834-W855 HydrophobicContact CD1-CZ2 4.17Å; I834-W855 HydrophobicContact CD1-CZ3 4.17Å; I834-W855 HydrophobicContact CG1-CD2 4.11Å; I834-W855 HydrophobicContact CG1-CG 4.24Å; I834-W855 HydrophobicContact CG1-CZ2 4.47Å; I834-W855 HydrophobicContact CG2-CB 3.49Å; I834-W855 VanDerWaalsContact CG2-CB 3.49Å; I834-W855 HydrophobicContact CG2-CD2 4.12Å; I834-W855 HydrophobicContact CG2-CG 3.53Å; A851-W855 WeakPolarHBondContact O-CB 3.47Å; A851-W855 PolarHBondContact O-N 3.27Å; L852-W855 PolarHBondContact O-N 3.05Å; W855-K857 PolarHBondContact O-N 3.46Å; W855-S858 PolarHBondContact O-N 2.85Å; W855-S858 VanDerWaalsContact O-N 3.13Å; W855-S858 PolarHBondContact O-OG 3Å; W855-K859 HydrophobicContact CD2-CG 4.3Å; W855-K859 HydrophobicContact CZ2-CG 4.22Å; W855-K859 WeakPolarHBondContact O-CG 3.47Å; W855-K859 PolarHBondContact O-N 3.03Å; W855-K859 VanDerWaalsContact O-N 3.09Å; W855-I898 HydrophobicContact CH2-CG2 4.49Å; W855-I898 HydrophobicContact CZ3-CB 4.2Å; W855-I898 HydrophobicContact CZ3-CG2 3.8Å; W855-E900 HydrophobicContact CH2-CG 4.14Å; W855-E900 HydrophobicContact CZ2-CG 4.15Å
856L92.9Very high84.5Confident0 Ų059.4 Ų59.40%032%0.321CS..Hα-helixtrans-60.6-42.6175.1-72.9173.7000112.5L852 L853 S858 K859 N860 L865 F872 I898 V938L852-L856 WeakPolarHBondContact O-CG 3.16Å; L852-L856 PolarHBondContact O-N 2.82Å; L853-L856 PolarHBondContact O-N 2.77Å; L856-S858 VanDerWaalsContact C-N 3.32Å; L856-S858 PolarHBondContact O-N 3.31Å; L856-K859 PolarHBondContact O-N 3.21Å; L856-N860 WeakPolarHBondContact O-CB 3.26Å; L856-N860 PolarHBondContact O-N 3.18Å; L856-N860 PolarHBondContact O-ND2 3.28Å; L856-L865 HydrophobicContact CB-CD1 4.31Å; L856-F872 HydrophobicContact CD1-CD2 4.45Å; L856-I898 HydrophobicContact CD2-CG2 4.23Å; L856-V938 HydrophobicContact CD1-CG1 3.71Å
857K92.4Very high86.1Confident91 Ų9164.4 Ų64.440%0.39634%0.342SS..Hα-helixtrans-58.4-42.2172.8-75.6169.5179.2171.80112.1L853 N854 W855 K859 N860 L865L853-K857 HydrophobicContact CG-CD 4.39Å; L853-K857 WeakPolarHBondContact O-CB 3.22Å; L853-K857 VanDerWaalsContact O-CG 3.3Å; L853-K857 WeakPolarHBondContact O-CG 3.2Å; L853-K857 PolarHBondContact O-N 2.98Å; N854-K857 WeakPolarHBondContact O-CB 3.5Å; N854-K857 PolarHBondContact O-N 3.32Å; W855-K857 PolarHBondContact O-N 3.46Å; K857-K859 VanDerWaalsContact C-N 3.3Å; K857-K859 PolarHBondContact O-N 2.99Å; K857-N860 CarbonylContact O-C 3.3Å; K857-N860 PolarHBondContact O-N 2.96Å; K857-L865 HydrophobicContact CD-CD2 4.49Å; K857-L865 HydrophobicContact CG-CD1 3.88Å; K857-L865 HydrophobicContact CG-CD2 3.61Å; K857-L865 HydrophobicContact CG-CG 4.39Å
858S93Very high87.8Confident81 Ų8160.4 Ų60.457%0.56632%0.324SS*.Hα-helixtrans-65.8-33.1179.8790000112.7N854 W855 L856N854-S858 WeakPolarHBondContact O-CB 3.21Å; N854-S858 PolarHBondContact O-N 3.04Å; W855-S858 PolarHBondContact O-N 2.85Å; W855-S858 VanDerWaalsContact O-N 3.13Å; W855-S858 PolarHBondContact O-OG 3Å; L856-S858 VanDerWaalsContact C-N 3.32Å; L856-S858 PolarHBondContact O-N 3.31Å
859K93.4Very high89Confident89 Ų8958.3 Ų58.339%0.38731%0.313SS..Hα-helixtrans-86.8-25.9179.5-62.6-61.8-177.6164.70113W855 L856 K857 E900W855-K859 HydrophobicContact CD2-CG 4.3Å; W855-K859 HydrophobicContact CZ2-CG 4.22Å; W855-K859 WeakPolarHBondContact O-CG 3.47Å; W855-K859 PolarHBondContact O-N 3.03Å; W855-K859 VanDerWaalsContact O-N 3.09Å; L856-K859 PolarHBondContact O-N 3.21Å; K857-K859 VanDerWaalsContact C-N 3.3Å; K857-K859 PolarHBondContact O-N 2.99Å; K859-E900 HydrophobicContact CB-CB 4.32Å; K859-E900 HydrophobicContact CD-CG 3.96Å; K859-E900 WeakPolarHBondContact CE-OE1 3.46Å; K859-E900 HydrophobicContact CG-CB 4.37Å; K859-E900 HydrophobicContact CG-CG 4.14Å; K859-E900 IonicContact NZ-OE1 2.72Å; K859-E900 PolarHBondContact NZ-OE1 2.89Å
860N92.9Very high90.2Very high21 Ų2156 Ų5611%0.11230%0.304CS..SBendtrans-131.378.3-174.9-54.6-82.5000110.4L856 K857 K864 L865 A868 E900L856-N860 WeakPolarHBondContact O-CB 3.26Å; L856-N860 PolarHBondContact O-N 3.18Å; L856-N860 PolarHBondContact O-ND2 3.28Å; K857-N860 CarbonylContact O-C 3.3Å; K857-N860 PolarHBondContact O-N 2.96Å; N860-K864 HydrophobicContact CB-CB 3.98Å; N860-L865 WeakPolarHBondContact O-CB 3.37Å; N860-L865 PolarHBondContact O-N 3.22Å; N860-A868 HydrophobicContact CB-CB 4Å; N860-E900 PolarHBondContact ND2-O 2.84Å; N860-E900 PolarHBondContact OD1-O 2.93Å
861P90Very high90.8Very high91 Ų9153.3 Ų53.359%0.59129%0.289SS*.  trans-73149.6178.729.7-34.7000112.1
862G88Confident91.4Very high61 Ų6153.2 Ų53.263%0.62929%0.288SS*.THydrogen-bonded Turntrans65.1-139.2176.800000113.2K864 L865G862-K864 PolarHBondContact O-N 3.39Å; G862-K864 VanDerWaalsContact O-N 3.09Å; G862-L865 WeakPolarHBondContact O-CB 3.42Å; G862-L865 PolarHBondContact O-N 3.33Å
863D82.8Confident91.7Very high153 Ų15353.5 Ų53.582%0.81829%0.29SS*.THydrogen-bonded Turntrans-63.1-17.9-174.9-56.4-21.3000113.7L865D863-L865 PolarHBondContact O-N 3.36Å
864K87.3Confident92Very high132 Ų13254 Ų5457%0.57429%0.292SS*.Hα-helixtrans-67.4-22.3175.6-66-176178.4-179.60112.6N860 G862 Q867 A868N860-K864 HydrophobicContact CB-CB 3.98Å; G862-K864 PolarHBondContact O-N 3.39Å; G862-K864 VanDerWaalsContact O-N 3.09Å; K864-Q867 PolarHBondContact O-N 3.43Å; K864-A868 PolarHBondContact O-N 3.1Å
865L91.9Very high92.3Very high32 Ų3250.7 Ų50.717%0.16828%0.275CS..Hα-helixtrans-64-43.1-179.7-17860.2000111.9L856 K857 N860 G862 D863 Q867 A868 I869L856-L865 HydrophobicContact CB-CD1 4.31Å; K857-L865 HydrophobicContact CD-CD2 4.49Å; K857-L865 HydrophobicContact CG-CD1 3.88Å; K857-L865 HydrophobicContact CG-CD2 3.61Å; K857-L865 HydrophobicContact CG-CG 4.39Å; N860-L865 WeakPolarHBondContact O-CB 3.37Å; N860-L865 PolarHBondContact O-N 3.22Å; G862-L865 WeakPolarHBondContact O-CB 3.42Å; G862-L865 PolarHBondContact O-N 3.33Å; D863-L865 PolarHBondContact O-N 3.36Å; L865-Q867 VanDerWaalsContact C-N 3.28Å; L865-Q867 PolarHBondContact O-N 3.15Å; L865-A868 PolarHBondContact O-N 3.43Å; L865-A868 VanDerWaalsContact O-N 3.14Å; L865-I869 HydrophobicContact CD1-CD1 4.05Å; L865-I869 HydrophobicContact CD1-CG1 4.17Å; L865-I869 HydrophobicContact CD2-CD1 4.44Å; L865-I869 HydrophobicContact CG-CD1 3.88Å; L865-I869 HydrophobicContact CG-CG1 4.37Å; L865-I869 WeakPolarHBondContact O-CG1 3.39Å; L865-I869 PolarHBondContact O-N 3.33Å
866D90.5Very high92.5Very high96 Ų9649.4 Ų49.451%0.51327%0.27SS..Hα-helixtrans-63.4-38.6-179.8-77.3-37.3000111.3I869 E870 Q941D866-I869 PolarHBondContact O-N 3.04Å; D866-E870 WeakPolarHBondContact O-CB 3.25Å; D866-E870 PolarHBondContact O-N 3.16Å; D866-Q941 PolarHBondContact OD1-NE2 3.36Å
867Q90.2Very high92.6Very high116 Ų11649.4 Ų49.454%0.54227%0.27SS..Hα-helixtrans-63.8-44172.7-173.3178.55.200111.7K864 L865 I869 E870 E871K864-Q867 PolarHBondContact O-N 3.43Å; L865-Q867 VanDerWaalsContact C-N 3.28Å; L865-Q867 PolarHBondContact O-N 3.15Å; Q867-I869 PolarHBondContact O-N 3.44Å; Q867-E870 WeakPolarHBondContact O-CB 3.4Å; Q867-E870 PolarHBondContact O-N 3.49Å; Q867-E871 WeakPolarHBondContact O-CG 3.4Å; Q867-E871 PolarHBondContact O-N 2.8Å
868A93.5Very high92.8Very high2 Ų245.1 Ų45.12%0.01725%0.252CS..Hα-helixtrans-65.4-38.6178.900000112.6N860 K864 L865 E870 E871 F872 T901 G902N860-A868 HydrophobicContact CB-CB 4Å; K864-A868 PolarHBondContact O-N 3.1Å; L865-A868 PolarHBondContact O-N 3.43Å; L865-A868 VanDerWaalsContact O-N 3.14Å; A868-E870 VanDerWaalsContact C-N 3.34Å; A868-E871 PolarHBondContact O-N 3.33Å; A868-F872 WeakPolarHBondContact O-CB 3.33Å; A868-F872 PolarHBondContact O-N 3.47Å; A868-T901 WeakPolarHBondContact CA-O 3.46Å; A868-G902 WeakPolarHBondContact O-CA 3.47Å
869I94.2Very high92.9Very high7 Ų741.3 Ų41.34%0.03623%0.225CC..Hα-helixtrans-67.2-36.7174.8-66.7174000110.9L853 L865 D866 Q867 F872 T873 Q941L853-I869 HydrophobicContact CD1-CD1 4Å; L865-I869 HydrophobicContact CD1-CD1 4.05Å; L865-I869 HydrophobicContact CD1-CG1 4.17Å; L865-I869 HydrophobicContact CD2-CD1 4.44Å; L865-I869 HydrophobicContact CG-CD1 3.88Å; L865-I869 HydrophobicContact CG-CG1 4.37Å; L865-I869 WeakPolarHBondContact O-CG1 3.39Å; L865-I869 PolarHBondContact O-N 3.33Å; D866-I869 PolarHBondContact O-N 3.04Å; Q867-I869 PolarHBondContact O-N 3.44Å; I869-F872 WeakPolarHBondContact O-CB 3.35Å; I869-F872 PolarHBondContact O-N 3.34Å; I869-T873 WeakPolarHBondContact O-CB 3.39Å; I869-T873 PolarHBondContact O-N 3.04Å; I869-T873 PolarHBondContact O-OG1 3.44Å; I869-Q941 HydrophobicContact CD1-CB 4.39Å; I869-Q941 HydrophobicContact CD1-CG 3.93Å; I869-Q941 HydrophobicContact CG2-CG 4.16Å
870E93.4Very high92.9Very high30 Ų3037.4 Ų37.414%0.1421%0.209CC..Hα-helixtrans-65.1-46.2173.9-176.171.5-178.600111.6D866 Q867 A868 F872 T873 L874 R952D866-E870 WeakPolarHBondContact O-CB 3.25Å; D866-E870 PolarHBondContact O-N 3.16Å; Q867-E870 WeakPolarHBondContact O-CB 3.4Å; Q867-E870 PolarHBondContact O-N 3.49Å; A868-E870 VanDerWaalsContact C-N 3.34Å; E870-F872 VanDerWaalsContact C-N 3.29Å; E870-F872 PolarHBondContact O-N 3.28Å; E870-T873 PolarHBondContact O-N 3.28Å; E870-T873 VanDerWaalsContact O-N 3.14Å; E870-L874 HydrophobicContact CG-CD1 4.02Å; E870-L874 WeakPolarHBondContact O-CG 3.09Å; E870-L874 PolarHBondContact O-N 2.89Å; E870-R952 IonicContact OE1-CZ 2.84Å; E870-R952 IonicContact OE1-NH1 3.32Å; E870-R952 PolarHBondContact OE1-NH1 2.81Å; E870-R952 IonicContact OE1-NH2 3.33Å; E870-R952 PolarHBondContact OE1-NH2 3Å; E870-R952 IonicContact OE2-CZ 2.75Å; E870-R952 IonicContact OE2-NH1 3.82Å; E870-R952 PolarHBondContact OE2-NH1 3.47Å; E870-R952 IonicContact OE2-NH2 2.8Å
871E94.3Very high93Very high15 Ų1536.4 Ų36.47%0.0720%0.203CC..Hα-helixtrans-59.7-40.5174.8-71-66.5129.300111.3R267 R806 Q867 A868 S875 Q903R267-E871 IonicContact CZ-OE2 2.8Å; R267-E871 IonicContact NE-OE2 3.49Å; R267-E871 IonicContact NH2-OE1 3.4Å; R267-E871 IonicContact NH2-OE2 3.21Å; R267-E871 PolarHBondContact NH2-OE2 2.89Å; R806-E871 WeakPolarHBondContact CG-OE2 3.46Å; R806-E871 IonicContact CZ-OE1 2.81Å; R806-E871 IonicContact NE-OE1 3.54Å; R806-E871 PolarHBondContact NE-OE1 2.81Å; R806-E871 IonicContact NE-OE2 3.19Å; R806-E871 IonicContact NH2-OE1 2.9Å; R806-E871 PolarHBondContact NH2-OE1 2.83Å; Q867-E871 WeakPolarHBondContact O-CG 3.4Å; Q867-E871 PolarHBondContact O-N 2.8Å; A868-E871 PolarHBondContact O-N 3.33Å; E871-S875 WeakPolarHBondContact O-CB 3.49Å; E871-S875 PolarHBondContact O-N 3.06Å; E871-S875 VanDerWaalsContact O-N 3.11Å; E871-S875 PolarHBondContact O-OG 2.95Å; E871-Q903 HydrophobicContact CB-CG 3.97Å; E871-Q903 HydrophobicContact CG-CG 4.45Å; E871-Q903 WeakPolarHBondContact OE2-CG 3.48Å
872F96.4Very high93.2Very high0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-60.9-47.3172.4-176.1-87.1000111.6L856 A868 I869 E870 S875 C876 I898 G902 L904 F935 V938 I939L856-F872 HydrophobicContact CD1-CD2 4.45Å; A868-F872 WeakPolarHBondContact O-CB 3.33Å; A868-F872 PolarHBondContact O-N 3.47Å; I869-F872 WeakPolarHBondContact O-CB 3.35Å; I869-F872 PolarHBondContact O-N 3.34Å; E870-F872 VanDerWaalsContact C-N 3.29Å; E870-F872 PolarHBondContact O-N 3.28Å; F872-S875 PolarHBondContact O-OG 3.25Å; F872-C876 HydrophobicContact CD1-CB 4.48Å; F872-C876 HydrophobicContact CE1-CB 4.33Å; F872-C876 WeakPolarHBondContact O-CB 3.28Å; F872-C876 PolarHBondContact O-N 3.38Å; F872-I898 HydrophobicContact CD2-CD1 4.47Å; F872-I898 HydrophobicContact CD2-CG2 4.45Å; F872-I898 HydrophobicContact CE2-CD1 3.85Å; F872-I898 HydrophobicContact CE2-CG1 4.36Å; F872-G902 WeakPolarHBondContact CA-O 3.38Å; F872-G902 WeakPolarHBondContact CB-O 3.34Å; F872-G902 WeakPolarHBondContact CD2-O 3.32Å; F872-G902 PolarHBondContact N-O 3.13Å; F872-L904 HydrophobicContact CD2-CB 4.22Å; F872-L904 HydrophobicContact CD2-CD1 4.46Å; F872-L904 HydrophobicContact CE2-CB 4.2Å; F872-L904 HydrophobicContact CE2-CD1 3.64Å; F872-L904 HydrophobicContact CZ-CD1 3.83Å; F872-F935 HydrophobicContact CE1-CB 4.2Å; F872-F935 HydrophobicContact CZ-CB 4.12Å; F872-F935 AromaticContact CZ-CD1 3.7Å; F872-F935 HydrophobicContact CZ-CD1 3.7Å; F872-F935 HydrophobicContact CZ-CE1 4.35Å; F872-F935 HydrophobicContact CZ-CG 4.06Å; F872-V938 HydrophobicContact CB-CG1 4.38Å; F872-V938 HydrophobicContact CD1-CB 4.11Å; F872-V938 HydrophobicContact CD1-CG1 3.48Å; F872-V938 VanDerWaalsContact CD1-CG1 3.48Å; F872-V938 HydrophobicContact CD2-CG1 4.21Å; F872-V938 HydrophobicContact CE1-CB 3.83Å; F872-V938 HydrophobicContact CE1-CG1 3.73Å; F872-V938 HydrophobicContact CE2-CG1 4.4Å; F872-V938 HydrophobicContact CG-CG1 3.75Å; F872-V938 HydrophobicContact CZ-CB 4.2Å; F872-V938 HydrophobicContact CZ-CG1 4.19Å; F872-I939 HydrophobicContact CD1-CG1 4.12Å; F872-I939 HydrophobicContact CE1-CD1 4.47Å; F872-I939 HydrophobicContact CE1-CG1 4.08Å
873T95.8Very high93.4Very high8 Ų829.4 Ų29.45%0.04915%0.147CC..Hα-helixtrans-64.6-45.5-176.1-58.80000111.7I869 E870 A877 I939 F953I869-T873 WeakPolarHBondContact O-CB 3.39Å; I869-T873 PolarHBondContact O-N 3.04Å; I869-T873 PolarHBondContact O-OG1 3.44Å; E870-T873 PolarHBondContact O-N 3.28Å; E870-T873 VanDerWaalsContact O-N 3.14Å; T873-A877 WeakPolarHBondContact O-CB 3.26Å; T873-A877 PolarHBondContact O-N 2.76Å; T873-I939 HydrophobicContact CG2-CG1 4.38Å; T873-I939 HydrophobicContact CG2-CG2 4.21Å; T873-F953 HydrophobicContact CG2-CB 3.88Å; T873-F953 HydrophobicContact CG2-CD2 3.95Å; T873-F953 HydrophobicContact CG2-CG 4.39Å
874L96.3Very high93.8Very high11 Ų1123.1 Ų23.16%0.05811%0.112CC..Hα-helixtrans-65.9-49179.2-70.8166.7000111.9L805 R806 E870 A877 G878 Y956L805-L874 HydrophobicContact CD2-CD2 4.23Å; L805-L874 CarbonylContact O-C 3.4Å; L805-L874 VanDerWaalsContact O-C 3.3Å; R806-L874 HydrophobicContact CB-CB 4.45Å; R806-L874 HydrophobicContact CG-CB 3.66Å; R806-L874 HydrophobicContact CG-CD1 3.81Å; R806-L874 HydrophobicContact CG-CG 4.4Å; E870-L874 HydrophobicContact CG-CD1 4.02Å; E870-L874 WeakPolarHBondContact O-CG 3.09Å; E870-L874 PolarHBondContact O-N 2.89Å; L874-A877 WeakPolarHBondContact O-CB 3.33Å; L874-A877 PolarHBondContact O-N 3.38Å; L874-G878 PolarHBondContact O-N 2.84Å; L874-Y956 HydrophobicContact CD2-CD1 4.24Å; L874-Y956 HydrophobicContact CD2-CD2 3.88Å; L874-Y956 HydrophobicContact CD2-CE1 4Å; L874-Y956 HydrophobicContact CD2-CE2 3.61Å; L874-Y956 HydrophobicContact CD2-CG 4.2Å; L874-Y956 HydrophobicContact CG-CE2 4.45Å
875S97Very high94Very high0 Ų016.9 Ų16.90%08%0.084CC..Hα-helixtrans-65.1-39.7178.556.50000112.6L805 E871 F872 A877 G878 Y879 L904L805-S875 WeakPolarHBondContact O-CA 3.34Å; L805-S875 PolarHBondContact O-N 3.33Å; E871-S875 WeakPolarHBondContact O-CB 3.49Å; E871-S875 PolarHBondContact O-N 3.06Å; E871-S875 VanDerWaalsContact O-N 3.11Å; E871-S875 PolarHBondContact O-OG 2.95Å; F872-S875 PolarHBondContact O-OG 3.25Å; S875-A877 VanDerWaalsContact C-N 3.34Å; S875-A877 PolarHBondContact O-N 3.11Å; S875-G878 PolarHBondContact O-N 3.33Å; S875-Y879 WeakPolarHBondContact O-CD2 3.27Å; S875-Y879 PolarHBondContact O-N 3.42Å; S875-L904 WeakPolarHBondContact CB-O 3.36Å; S875-L904 PolarHBondContact OG-N 2.98Å
876C95.9Very high94Very high2 Ų215.4 Ų15.41%0.0148%0.077CC..Hα-helixtrans-59.9-44.3172.6-171.70000111.2F872 G878 Y879 C880 F953F872-C876 HydrophobicContact CD1-CB 4.48Å; F872-C876 HydrophobicContact CE1-CB 4.33Å; F872-C876 WeakPolarHBondContact O-CB 3.28Å; F872-C876 PolarHBondContact O-N 3.38Å; C876-G878 PolarHBondContact O-N 3.49Å; C876-Y879 PolarHBondContact O-N 3.32Å; C876-C880 WeakPolarHBondContact O-CB 3.21Å; C876-C880 PolarHBondContact O-N 3.22Å; C876-C880 PolarHBondContact O-SG 2.93Å; C876-F953 HydrophobicContact CB-CE2 4.18Å
877A95.8Very high94Very high0 Ų010.9 Ų10.90%05%0.053CC..Hα-helixtrans-61.1-45.7178.200000111.8T873 L874 S875 C880 V881 F953T873-A877 WeakPolarHBondContact O-CB 3.26Å; T873-A877 PolarHBondContact O-N 2.76Å; L874-A877 WeakPolarHBondContact O-CB 3.33Å; L874-A877 PolarHBondContact O-N 3.38Å; S875-A877 VanDerWaalsContact C-N 3.34Å; S875-A877 PolarHBondContact O-N 3.11Å; A877-C880 PolarHBondContact O-N 3.4Å; A877-V881 WeakPolarHBondContact O-CG2 3.18Å; A877-V881 PolarHBondContact O-N 3.47Å; A877-V881 VanDerWaalsContact O-N 3.15Å; A877-F953 HydrophobicContact CB-CD2 3.95Å; A877-F953 HydrophobicContact CB-CE2 3.81Å
878G96.4Very high93.9Very high0 Ų05.8 Ų5.80%03%0.029CC..Hα-helixtrans-61.8-47.6176.800000113W798 M807 L874 S875 C876 V881 A882W798-G878 WeakPolarHBondContact CH2-O 3.46Å; M807-G878 VanDerWaalsContact SD-C 3.56Å; M807-G878 VanDerWaalsContact SD-CA 3.59Å; L874-G878 PolarHBondContact O-N 2.84Å; S875-G878 PolarHBondContact O-N 3.33Å; C876-G878 PolarHBondContact O-N 3.49Å; G878-V881 PolarHBondContact O-N 2.79Å; G878-A882 VanDerWaalsContact O-CB 3.3Å; G878-A882 WeakPolarHBondContact O-CB 3.42Å; G878-A882 PolarHBondContact O-N 3.33Å
879Y95.7Very high93.3Very high1 Ų15.7 Ų5.70%0.0043%0.028CC..Hα-helixtrans-68.3-34178-84.4-76.3000113.2I791 M807 I808 S875 C876 T883 L904 F905 H906I791-Y879 HydrophobicContact CD1-CE1 4.16Å; M807-Y879 HydrophobicContact CE-CD1 3.71Å; M807-Y879 HydrophobicContact CE-CD2 3.61Å; M807-Y879 HydrophobicContact CE-CE1 3.75Å; M807-Y879 HydrophobicContact CE-CE2 3.64Å; M807-Y879 HydrophobicContact CE-CG 3.63Å; M807-Y879 HydrophobicContact SD-CD2 3.66Å; M807-Y879 HydrophobicContact SD-CE2 3.78Å; M807-Y879 HydrophobicContact SD-CG 4.19Å; I808-Y879 PolarHBondContact N-OH 3.45Å; I808-Y879 PolarHBondContact O-OH 2.9Å; S875-Y879 WeakPolarHBondContact O-CD2 3.27Å; S875-Y879 PolarHBondContact O-N 3.42Å; C876-Y879 PolarHBondContact O-N 3.32Å; Y879-T883 WeakPolarHBondContact O-CB 3.21Å; Y879-T883 VanDerWaalsContact O-CG2 3.24Å; Y879-T883 WeakPolarHBondContact O-CG2 3.16Å; Y879-T883 PolarHBondContact O-N 3.01Å; Y879-T883 PolarHBondContact O-OG1 2.79Å; Y879-L904 HydrophobicContact CD2-CD2 4.2Å; Y879-L904 WeakPolarHBondContact CD2-O 3.5Å; Y879-L904 VanDerWaalsContact CE2-O 3.24Å; Y879-L904 WeakPolarHBondContact CE2-O 3.43Å; Y879-L904 HydrophobicContact CG-CD2 4.36Å; Y879-F905 VanDerWaalsContact CE2-CA 3.4Å; Y879-F905 HydrophobicContact CE2-CB 3.61Å; Y879-F905 WeakPolarHBondContact OH-CB 3.42Å; Y879-H906 HydrophobicContact CD1-CB 3.88Å; Y879-H906 AromaticContact CD1-CD2 3.57Å; Y879-H906 AromaticContact CD1-CG 3.74Å; Y879-H906 HydrophobicContact CE1-CB 3.91Å; Y879-H906 AromaticContact CG-CD2 3.66Å
880C92.4Very high92.6Very high7 Ų76.7 Ų6.75%0.0473%0.034CC..Hα-helixtrans-59.7-47.1172.7-76.20000111.4C876 A877 T883 Y884 F929C876-C880 WeakPolarHBondContact O-CB 3.21Å; C876-C880 PolarHBondContact O-N 3.22Å; C876-C880 PolarHBondContact O-SG 2.93Å; A877-C880 PolarHBondContact O-N 3.4Å; C880-T883 PolarHBondContact O-OG1 3.06Å; C880-Y884 WeakPolarHBondContact O-CB 3.45Å; C880-Y884 PolarHBondContact O-N 3.34Å; C880-F929 HydrophobicContact CB-CD2 4.06Å; C880-F929 HydrophobicContact CB-CE2 4.49Å
881V95.1Very high92.2Very high0 Ų05.8 Ų5.80%03%0.029CC..Hα-helixtrans-70.3-44.1179.1175.30000111.5W798 A877 G878 Y884 V885 C957 A960 Y961 L964 F1012W798-V881 HydrophobicContact CZ2-CB 4.44Å; W798-V881 HydrophobicContact CZ2-CG1 4.14Å; A877-V881 WeakPolarHBondContact O-CG2 3.18Å; A877-V881 PolarHBondContact O-N 3.47Å; A877-V881 VanDerWaalsContact O-N 3.15Å; G878-V881 PolarHBondContact O-N 2.79Å; V881-Y884 WeakPolarHBondContact O-CB 3.44Å; V881-Y884 PolarHBondContact O-N 2.97Å; V881-V885 HydrophobicContact CG1-CG2 4.38Å; V881-V885 WeakPolarHBondContact O-CG2 3.49Å; V881-V885 PolarHBondContact O-N 3.2Å; V881-C957 HydrophobicContact CG2-CB 4Å; V881-C957 WeakPolarHBondContact CG2-O 3.33Å; V881-A960 HydrophobicContact CB-CB 4.41Å; V881-A960 HydrophobicContact CG1-CB 4.34Å; V881-A960 HydrophobicContact CG2-CB 4.1Å; V881-Y961 HydrophobicContact CG1-CD2 4.41Å; V881-L964 HydrophobicContact CG1-CD1 3.88Å; V881-F1012 HydrophobicContact CG2-CZ 4.01Å
882A94.8Very high91.7Very high0 Ų06 Ų60%03%0.03CC..Hα-helixtrans-62.6-45.7-179.500000112.2I791 M794 W798 M807 G878 Y884 V885 L886I791-A882 HydrophobicContact CG1-CB 4.45Å; M794-A882 HydrophobicContact SD-CB 3.61Å; W798-A882 HydrophobicContact CH2-CB 4.4Å; M807-A882 HydrophobicContact CE-CB 4.2Å; G878-A882 VanDerWaalsContact O-CB 3.3Å; G878-A882 WeakPolarHBondContact O-CB 3.42Å; G878-A882 PolarHBondContact O-N 3.33Å; A882-Y884 VanDerWaalsContact C-N 3.34Å; A882-Y884 PolarHBondContact O-N 2.77Å; A882-V885 PolarHBondContact O-N 2.79Å; A882-L886 VanDerWaalsContact O-CB 3.31Å; A882-L886 WeakPolarHBondContact O-CB 3.35Å; A882-L886 WeakPolarHBondContact O-CG 3.18Å; A882-L886 PolarHBondContact O-N 2.93Å
883T91.9Very high91.2Very high5 Ų56.8 Ų6.83%0.0313%0.034CC..Hα-helixtrans-67.2-34179.254.40000112.7Y879 C880 G887 I888Y879-T883 WeakPolarHBondContact O-CB 3.21Å; Y879-T883 VanDerWaalsContact O-CG2 3.24Å; Y879-T883 WeakPolarHBondContact O-CG2 3.16Å; Y879-T883 PolarHBondContact O-N 3.01Å; Y879-T883 PolarHBondContact O-OG1 2.79Å; C880-T883 PolarHBondContact O-OG1 3.06Å; T883-G887 WeakPolarHBondContact O-CA 3.42Å; T883-G887 PolarHBondContact O-N 2.72Å; T883-I888 HydrophobicContact CG2-CB 4.2Å; T883-I888 HydrophobicContact CG2-CD1 4.1Å; T883-I888 PolarHBondContact O-N 3.03Å
884Y90.8Very high90.6Very high22 Ų227.7 Ų7.79%0.0864%0.039CC..Hα-helixtrans-62-56.3171.7172.4-113.7000111.8C880 V881 A882 L886 G887 P928 Y961 S998 F1012C880-Y884 WeakPolarHBondContact O-CB 3.45Å; C880-Y884 PolarHBondContact O-N 3.34Å; V881-Y884 WeakPolarHBondContact O-CB 3.44Å; V881-Y884 PolarHBondContact O-N 2.97Å; A882-Y884 VanDerWaalsContact C-N 3.34Å; A882-Y884 PolarHBondContact O-N 2.77Å; Y884-L886 VanDerWaalsContact C-N 3.34Å; Y884-L886 PolarHBondContact O-N 3.06Å; Y884-G887 PolarHBondContact O-N 3.3Å; Y884-P928 HydrophobicContact CD2-CB 3.96Å; Y884-P928 HydrophobicContact CE2-CB 3.97Å; Y884-Y961 HydrophobicContact CD1-CD2 4.34Å; Y884-Y961 HydrophobicContact CD1-CE2 4.13Å; Y884-Y961 HydrophobicContact CE1-CD2 4.26Å; Y884-Y961 AromaticContact CE1-CE2 3.65Å; Y884-Y961 HydrophobicContact CE1-CE2 3.65Å; Y884-S998 WeakPolarHBondContact CE1-O 3.42Å; Y884-S998 PolarHBondContact OH-O 3.39Å; Y884-F1012 AromaticContact CD1-CD2 3.95Å; Y884-F1012 HydrophobicContact CD1-CD2 3.95Å; Y884-F1012 AromaticContact CD1-CE2 3.9Å; Y884-F1012 HydrophobicContact CD1-CE2 3.9Å; Y884-F1012 AromaticContact CE1-CD2 3.79Å; Y884-F1012 HydrophobicContact CE1-CD2 3.79Å; Y884-F1012 HydrophobicContact CE1-CE2 4.22Å; Y884-F1012 HydrophobicContact CG-CE2 4.48Å
885V92.3Very high90.3Very high0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-62.7-42.2-175.8167.80000111.2M794 V881 A882 G887 Y961 L964 L995 S998 L999M794-V885 HydrophobicContact CE-CB 4.28Å; M794-V885 HydrophobicContact CE-CG1 3.88Å; V881-V885 HydrophobicContact CG1-CG2 4.38Å; V881-V885 WeakPolarHBondContact O-CG2 3.49Å; V881-V885 PolarHBondContact O-N 3.2Å; A882-V885 PolarHBondContact O-N 2.79Å; V885-G887 VanDerWaalsContact C-N 3.3Å; V885-G887 PolarHBondContact O-N 2.85Å; V885-Y961 HydrophobicContact CG2-CD2 4.15Å; V885-Y961 HydrophobicContact CG2-CE2 4.2Å; V885-L964 HydrophobicContact CB-CD1 4.46Å; V885-L964 HydrophobicContact CG2-CD1 4.02Å; V885-L995 HydrophobicContact CG1-CD1 3.74Å; V885-L995 WeakPolarHBondContact O-CD1 3.34Å; V885-S998 PolarHBondContact O-OG 2.9Å; V885-S998 VanDerWaalsContact O-OG 3.06Å; V885-L999 HydrophobicContact CG1-CD1 4.19Å; V885-L999 HydrophobicContact CG1-CD2 3.72Å; V885-L999 HydrophobicContact CG1-CG 3.88Å; V885-L999 HydrophobicContact CG2-CD2 3.92Å
886L92.1Very high90.1Very high1 Ų17.4 Ų7.41%0.0054%0.038CC..Hα-helixtrans-83.1-6.7-179.5-61.3-178000113.3T787 M790 I791 M794 A882 Y884 I888 L913 F975 L995T787-L886 HydrophobicContact CG2-CD1 4.22Å; M790-L886 HydrophobicContact CB-CD1 3.94Å; M790-L886 HydrophobicContact CB-CD2 4.29Å; I791-L886 HydrophobicContact CG1-CD1 4.36Å; M794-L886 HydrophobicContact CE-CD1 3.97Å; M794-L886 HydrophobicContact CE-CD2 3.68Å; M794-L886 HydrophobicContact CE-CG 3.66Å; A882-L886 VanDerWaalsContact O-CB 3.31Å; A882-L886 WeakPolarHBondContact O-CB 3.35Å; A882-L886 WeakPolarHBondContact O-CG 3.18Å; A882-L886 PolarHBondContact O-N 2.93Å; Y884-L886 VanDerWaalsContact C-N 3.34Å; Y884-L886 PolarHBondContact O-N 3.06Å; L886-I888 VanDerWaalsContact C-N 3.31Å; L886-I888 HydrophobicContact CB-CD1 3.95Å; L886-I888 HydrophobicContact CB-CG1 3.74Å; L886-I888 HydrophobicContact CD1-CD1 4.07Å; L886-I888 PolarHBondContact O-N 3.22Å; L886-L913 PolarHBondContact O-N 3.16Å; L886-F975 HydrophobicContact CD2-CE2 4.07Å; L886-F975 HydrophobicContact CD2-CZ 3.81Å; L886-L995 HydrophobicContact CD2-CD1 4.43Å
887G89.3Confident90.1Very high1 Ų18.8 Ų8.81%0.014%0.044CC..THydrogen-bonded Turntrans58.241.1-178.300000113.2T883 Y884 V885 G889 F912 L913 G914 Y994T883-G887 WeakPolarHBondContact O-CA 3.42Å; T883-G887 PolarHBondContact O-N 2.72Å; Y884-G887 PolarHBondContact O-N 3.3Å; V885-G887 VanDerWaalsContact C-N 3.3Å; V885-G887 PolarHBondContact O-N 2.85Å; G887-G889 PolarHBondContact O-N 2.83Å; G887-F912 CarbonylContact O-C 3.59Å; G887-F912 WeakPolarHBondContact O-CA 3.49Å; G887-L913 PolarHBondContact O-N 3.29Å; G887-G914 PolarHBondContact O-N 3.32Å; G887-Y994 VanDerWaalsContact CA-OH 3.28Å; G887-Y994 WeakPolarHBondContact CA-OH 3.3Å
888I88.6Confident90.1Very high9 Ų98.8 Ų8.85%0.0464%0.044CC..  trans-75.2120.2-175.4-62.2170.9000109.6T787 T883 L886 F909 H911T787-I888 HydrophobicContact CG2-CD1 3.53Å; T787-I888 HydrophobicContact CG2-CG1 4.29Å; T883-I888 HydrophobicContact CG2-CB 4.2Å; T883-I888 HydrophobicContact CG2-CD1 4.1Å; T883-I888 PolarHBondContact O-N 3.03Å; L886-I888 VanDerWaalsContact C-N 3.31Å; L886-I888 HydrophobicContact CB-CD1 3.95Å; L886-I888 HydrophobicContact CB-CG1 3.74Å; L886-I888 HydrophobicContact CD1-CD1 4.07Å; L886-I888 PolarHBondContact O-N 3.22Å; I888-F909 HydrophobicContact CD1-CD1 3.88Å; I888-F909 HydrophobicContact CD1-CE1 4.09Å; I888-F909 HydrophobicContact CG2-CD1 3.87Å; I888-H911 WeakPolarHBondContact CA-O 3.15Å
889G80.6Confident90.1Very high0 Ų010.9 Ų10.90%05%0.052CC..  trans-97.6-179.9-176.600000115.8G887 R891 H911 E925G887-G889 PolarHBondContact O-N 2.83Å; G889-R891 VanDerWaalsContact C-N 3.35Å; G889-R891 PolarHBondContact O-N 2.68Å; G889-R891 PolarHBondContact O-NE 2.79Å; G889-R891 PolarHBondContact O-NH2 3.29Å; G889-H911 PolarHBondContact N-O 3.47Å; G889-H911 VanDerWaalsContact N-O 3.07Å; G889-E925 WeakPolarHBondContact CA-OE2 3.3Å
890D79.2Confident90Very high29 Ų2914 Ų1416%0.1557%0.067CC..  trans55.134.2179-148.523.3000114.6H892 N895 K917 R924 E925D890-H892 PolarHBondContact O-CD2 2.89Å; D890-N895 PolarHBondContact O-ND2 3.33Å; D890-K917 IonicContact OD2-NZ 3.49Å; D890-K917 PolarHBondContact OD2-NZ 2.95Å; D890-R924 IonicContact OD1-NH1 2.72Å; D890-E925 WeakPolarHBondContact CA-OE1 3.42Å; D890-E925 PolarHBondContact N-OE1 3.14Å; D890-E925 PolarHBondContact N-OE2 2.98Å
891R86Confident89.9Confident10 Ų1015.9 Ų15.94%0.0388%0.078CC..  trans-81.9130.3178.2-29.9-80.981.1-171.28.3112.9G889 N895 I896 H906 I907 D908 E925 I930 W1030G889-R891 VanDerWaalsContact C-N 3.35Å; G889-R891 PolarHBondContact O-N 2.68Å; G889-R891 PolarHBondContact O-NE 2.79Å; G889-R891 PolarHBondContact O-NH2 3.29Å; R891-N895 WeakPolarHBondContact CA-OD1 3.46Å; R891-I896 HydrophobicContact CB-CD1 4.22Å; R891-I896 HydrophobicContact CB-CG1 4.47Å; R891-H906 VanDerWaalsContact CD-ND1 3.32Å; R891-H906 WeakPolarHBondContact CD-ND1 3.4Å; R891-I907 PolarHBondContact NH1-O 2.99Å; R891-D908 VanDerWaalsContact CZ-O 3.28Å; R891-D908 PolarHBondContact NH1-O 3.34Å; R891-D908 PolarHBondContact NH2-O 2.87Å; R891-E925 PolarHBondContact N-OE1 2.87Å; R891-I930 HydrophobicContact CB-CD1 3.33Å; R891-I930 HydrophobicContact CG-CD1 3.6Å; R891-W1030 PolarHBondContact O-NE1 3.2Å; R891-W1030 VanDerWaalsContact O-NE1 3.08Å
892H84.1Confident89.9Confident21 Ų2115.9 Ų15.910%0.0978%0.078CC..  trans-156.8172.8-174.955.941.5000111.7D890 D894 N895 I896 H1033D890-H892 PolarHBondContact O-CD2 2.89Å; H892-D894 PolarHBondContact ND1-N 3.5Å; H892-D894 PolarHBondContact O-N 3.05Å; H892-N895 VanDerWaalsContact CE1-CG 3.42Å; H892-N895 PolarHBondContact CE1-ND2 2.67Å; H892-N895 PolarHBondContact N-OD1 2.85Å; H892-N895 PolarHBondContact ND1-N 2.69Å; H892-N895 PolarHBondContact ND1-OD1 2.85Å; H892-N895 PolarHBondContact O-N 2.95Å; H892-N895 PolarHBondContact O-OD1 2.83Å; H892-I896 PolarHBondContact O-N 3.2Å; H892-H1033 AromaticContact CD2-CD2 3.74Å; H892-H1033 AromaticContact CD2-CE1 3.44Å; H892-H1033 PolarHBondContact CD2-CE1 3.33Å; H892-H1033 VanDerWaalsContact CD2-CE1 3.44Å; H892-H1033 AromaticContact CD2-CG 3.97Å; H892-H1033 AromaticContact CD2-ND1 3.8Å; H892-H1033 AromaticContact CD2-NE2 3.45Å; H892-H1033 PolarHBondContact CD2-NE2 3.38Å; H892-H1033 AromaticContact CE1-CE1 3.93Å; H892-H1033 AromaticContact CG-CE1 4Å; H892-H1033 AromaticContact CG-ND1 4Å; H892-H1033 AromaticContact NE2-CE1 3.37Å; H892-H1033 PolarHBondContact NE2-CE1 3.35Å; H892-H1033 AromaticContact NE2-NE2 3.51Å
893N84.7Confident89.9Confident15 Ų1516.4 Ų16.48%0.088%0.081CC..THydrogen-bonded Turntrans-59.1-22.6-172.2-66.6-4.2000115.7I831 A832 Q835 W1030I831-N893 HydrophobicContact CB-CB 4.01Å; I831-N893 HydrophobicContact CG2-CB 3.82Å; I831-N893 PolarHBondContact N-O 3.13Å; A832-N893 HydrophobicContact CB-CB 3.82Å; A832-N893 PolarHBondContact N-O 2.87Å; Q835-N893 PolarHBondContact OE1-ND2 2.94Å; N893-W1030 VanDerWaalsContact OD1-CH2 3.26Å; N893-W1030 WeakPolarHBondContact OD1-CH2 3.49Å; N893-W1030 WeakPolarHBondContact OD1-CZ3 3.27Å
894D83.6Confident90.1Very high28 Ų2816.2 Ų16.215%0.158%0.079CC..THydrogen-bonded Turntrans-80.3-18.7176.7-70.3-62.5000113.8A832 R836 H892 H1033 K1037A832-D894 WeakPolarHBondContact CB-OD1 3.43Å; R836-D894 IonicContact NH2-OD1 3.74Å; H892-D894 PolarHBondContact ND1-N 3.5Å; H892-D894 PolarHBondContact O-N 3.05Å; D894-H1033 IonicContact OD2-CE1 2.91Å; D894-H1033 IonicContact OD2-ND1 2.59Å; D894-K1037 IonicContact OD1-NZ 2.73Å; D894-K1037 PolarHBondContact OD1-NZ 3.3Å; D894-K1037 VanDerWaalsContact OD1-NZ 3.16Å; D894-K1037 IonicContact OD2-NZ 3.55Å; D894-K1037 PolarHBondContact OD2-NZ 2.69Å
895N90.2Very high90.4Very high5 Ų515.3 Ų15.33%0.0278%0.076CC..SBendtrans-121.916.1-176.872.40.5000113.6D890 R891 H892 I907 D908D890-N895 PolarHBondContact O-ND2 3.33Å; R891-N895 WeakPolarHBondContact CA-OD1 3.46Å; H892-N895 VanDerWaalsContact CE1-CG 3.42Å; H892-N895 PolarHBondContact CE1-ND2 2.67Å; H892-N895 PolarHBondContact N-OD1 2.85Å; H892-N895 PolarHBondContact ND1-N 2.69Å; H892-N895 PolarHBondContact ND1-OD1 2.85Å; H892-N895 PolarHBondContact O-N 2.95Å; H892-N895 PolarHBondContact O-OD1 2.83Å; N895-I907 HydrophobicContact CB-CG1 3.98Å; N895-I907 WeakPolarHBondContact O-CG1 3.44Å; N895-I907 PolarHBondContact O-N 2.96Å; N895-D908 HydrophobicContact CB-CB 4.37Å
896I93.2Very high90.5Very high0 Ų015.6 Ų15.60%08%0.077CC..EExtended strand (participates in β ladder)trans-118.9129.2165.8-56.7172.2000106.9I831 R891 H892 L904 F935 W1030I831-I896 HydrophobicContact CD1-CB 3.71Å; I831-I896 HydrophobicContact CD1-CG2 3.48Å; I831-I896 VanDerWaalsContact CD1-CG2 3.48Å; I831-I896 HydrophobicContact CG1-CB 4.39Å; I831-I896 HydrophobicContact CG1-CG2 4.27Å; I831-I896 PolarHBondContact N-O 2.7Å; R891-I896 HydrophobicContact CB-CD1 4.22Å; R891-I896 HydrophobicContact CB-CG1 4.47Å; H892-I896 PolarHBondContact O-N 3.2Å; I896-L904 HydrophobicContact CG2-CD1 3.95Å; I896-L904 HydrophobicContact CG2-CD2 4.14Å; I896-L904 HydrophobicContact CG2-CG 3.93Å; I896-F935 HydrophobicContact CD1-CE2 4.36Å; I896-F935 HydrophobicContact CD1-CZ 4.12Å; I896-F935 HydrophobicContact CG2-CZ 4.17Å; I896-W1030 HydrophobicContact CD1-CH2 4.08Å; I896-W1030 HydrophobicContact CD1-CZ2 3.82Å
897M95.5Very high90.6Very high30 Ų3017.5 Ų17.515%0.1489%0.087CC..EExtended strand (participates in β ladder)trans-121.6154-175.6-63.6-169.77700111S828 D829 T830 L904 F905 I907S828-M897 VanDerWaalsContact OG-CE 3.23Å; S828-M897 WeakPolarHBondContact OG-CE 3.37Å; D829-M897 CarbonylContact O-C 3.54Å; D829-M897 VanDerWaalsContact O-CA 3.24Å; D829-M897 WeakPolarHBondContact O-CA 3.49Å; T830-M897 HydrophobicContact CG2-CE 4.28Å; T830-M897 HydrophobicContact CG2-CG 3.98Å; T830-M897 HydrophobicContact CG2-SD 4.45Å; M897-L904 WeakPolarHBondContact O-CA 3.3Å; M897-F905 HydrophobicContact CB-CD1 4.06Å; M897-F905 HydrophobicContact CB-CD2 4.31Å; M897-F905 HydrophobicContact CB-CE1 3.51Å; M897-F905 HydrophobicContact CB-CE2 3.81Å; M897-F905 HydrophobicContact CB-CG 4.42Å; M897-F905 HydrophobicContact CB-CZ 3.37Å; M897-F905 HydrophobicContact CE-CZ 4.31Å; M897-F905 HydrophobicContact CG-CE2 4.26Å; M897-F905 HydrophobicContact CG-CZ 4.09Å; M897-F905 PolarHBondContact N-O 3Å; M897-F905 PolarHBondContact O-N 2.76Å; M897-F905 HydrophobicContact SD-CE2 3.86Å; M897-F905 HydrophobicContact SD-CZ 3.72Å; M897-I907 HydrophobicContact CG-CD1 4.11Å; M897-I907 HydrophobicContact CG-CG1 4.33Å; M897-I907 HydrophobicContact CG-CG2 4.35Å; M897-I907 HydrophobicContact SD-CD1 3.76Å; M897-I907 HydrophobicContact SD-CG1 4.37Å; M897-I907 HydrophobicContact SD-CG2 3.91Å
898I96.1Very high90.6Very high0 Ų021.3 Ų21.30%011%0.107CC..EExtended strand (participates in β ladder)trans-129.4131.5176.7-53.1172.3000108.1S828 D829 I831 I834 L852 W855 L856 F872 Q903S828-I898 VanDerWaalsContact CA-O 3.3Å; S828-I898 WeakPolarHBondContact CA-O 3.29Å; D829-I898 PolarHBondContact N-O 3.21Å; D829-I898 PolarHBondContact O-N 3.09Å; I831-I898 HydrophobicContact CG1-CD1 4.02Å; I831-I898 HydrophobicContact CG1-CG1 4.27Å; I834-I898 HydrophobicContact CD1-CB 4.29Å; I834-I898 HydrophobicContact CD1-CD1 4.34Å; L852-I898 HydrophobicContact CD1-CD1 4.32Å; L852-I898 HydrophobicContact CD2-CD1 3.76Å; W855-I898 HydrophobicContact CH2-CG2 4.49Å; W855-I898 HydrophobicContact CZ3-CB 4.2Å; W855-I898 HydrophobicContact CZ3-CG2 3.8Å; L856-I898 HydrophobicContact CD2-CG2 4.23Å; F872-I898 HydrophobicContact CD2-CD1 4.47Å; F872-I898 HydrophobicContact CD2-CG2 4.45Å; F872-I898 HydrophobicContact CE2-CD1 3.85Å; F872-I898 HydrophobicContact CE2-CG1 4.36Å; I898-Q903 CarbonylContact C-O 3.58Å; I898-Q903 WeakPolarHBondContact CA-O 3.48Å
899R95.3Very high90.6Very high45 Ų4520.9 Ų20.917%0.1711%0.105CC..EExtended strand (participates in β ladder)trans-77.3154.4170.6-66.4-171.569.3-154.83110.8I808 V825 S827 T901 G902 Q903 F905I808-R899 VanDerWaalsContact CD1-CD 3.49Å; I808-R899 HydrophobicContact CD1-CG 4.1Å; V825-R899 HydrophobicContact CG1-CG 3.99Å; S827-R899 CarbonylContact O-C 3.56Å; S827-R899 VanDerWaalsContact O-CA 3.24Å; S827-R899 WeakPolarHBondContact O-CA 3.44Å; R899-T901 PolarHBondContact O-N 3.03Å; R899-T901 VanDerWaalsContact O-N 3.08Å; R899-G902 PolarHBondContact O-N 2.98Å; R899-Q903 HydrophobicContact CB-CB 4.33Å; R899-Q903 HydrophobicContact CG-CB 4.47Å; R899-Q903 PolarHBondContact N-O 3.03Å; R899-F905 HydrophobicContact CG-CD1 4.31Å; R899-F905 HydrophobicContact CG-CE1 3.87Å
900E93.7Very high90.5Very high66 Ų6622 Ų2231%0.30812%0.117SC..THydrogen-bonded Turntrans-56.4-27.5174.3-68.5-178.1153.200112.3S827 W855 K859 N860 G902S827-E900 WeakPolarHBondContact CB-OE2 3.38Å; S827-E900 PolarHBondContact O-N 3.46Å; S827-E900 PolarHBondContact OG-OE2 3.19Å; W855-E900 HydrophobicContact CH2-CG 4.14Å; W855-E900 HydrophobicContact CZ2-CG 4.15Å; K859-E900 HydrophobicContact CB-CB 4.32Å; K859-E900 HydrophobicContact CD-CG 3.96Å; K859-E900 WeakPolarHBondContact CE-OE1 3.46Å; K859-E900 HydrophobicContact CG-CB 4.37Å; K859-E900 HydrophobicContact CG-CG 4.14Å; K859-E900 IonicContact NZ-OE1 2.72Å; K859-E900 PolarHBondContact NZ-OE1 2.89Å; N860-E900 PolarHBondContact ND2-O 2.84Å; N860-E900 PolarHBondContact OD1-O 2.93Å; E900-G902 PolarHBondContact O-N 2.63Å
901T91.5Very high90.7Very high47 Ų4722.6 Ų22.629%0.28812%0.118SC..THydrogen-bonded Turntrans-74.4-2.3174.3570000114.5A868 R899 Q903A868-T901 WeakPolarHBondContact CA-O 3.46Å; R899-T901 PolarHBondContact O-N 3.03Å; R899-T901 VanDerWaalsContact O-N 3.08Å; T901-Q903 PolarHBondContact OG1-OE1 2.73Å
902G94.1Very high90.7Very high0 Ų022.1 Ų22.10%012%0.117CC..SBendtrans96.8-15.4-179.300000115.5A868 F872 R899 E900 L904A868-G902 WeakPolarHBondContact O-CA 3.47Å; F872-G902 WeakPolarHBondContact CA-O 3.38Å; F872-G902 WeakPolarHBondContact CB-O 3.34Å; F872-G902 WeakPolarHBondContact CD2-O 3.32Å; F872-G902 PolarHBondContact N-O 3.13Å; R899-G902 PolarHBondContact O-N 2.98Å; E900-G902 PolarHBondContact O-N 2.63Å; G902-L904 PolarHBondContact O-N 3.25Å
903Q95.4Very high90.7Very high11 Ų1121.4 Ų21.45%0.05111%0.113CC..  trans-64.3124.2-178.7-62.7175.5-80.900112.1R267 R806 I808 E871 I898 R899 T901R267-Q903 VanDerWaalsContact NH2-NE2 3.13Å; R806-Q903 PolarHBondContact O-NE2 2.65Å; I808-Q903 HydrophobicContact CD1-CB 3.8Å; E871-Q903 HydrophobicContact CB-CG 3.97Å; E871-Q903 HydrophobicContact CG-CG 4.45Å; E871-Q903 WeakPolarHBondContact OE2-CG 3.48Å; I898-Q903 CarbonylContact C-O 3.58Å; I898-Q903 WeakPolarHBondContact CA-O 3.48Å; R899-Q903 HydrophobicContact CB-CB 4.33Å; R899-Q903 HydrophobicContact CG-CB 4.47Å; R899-Q903 PolarHBondContact N-O 3.03Å; T901-Q903 PolarHBondContact OG1-OE1 2.73Å
904L96.3Very high90.2Very high1 Ų121.8 Ų21.81%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-88.8140.9173.4-179.2147.1000110.3F872 S875 Y879 I896 M897 G902 F935F872-L904 HydrophobicContact CD2-CB 4.22Å; F872-L904 HydrophobicContact CD2-CD1 4.46Å; F872-L904 HydrophobicContact CE2-CB 4.2Å; F872-L904 HydrophobicContact CE2-CD1 3.64Å; F872-L904 HydrophobicContact CZ-CD1 3.83Å; S875-L904 WeakPolarHBondContact CB-O 3.36Å; S875-L904 PolarHBondContact OG-N 2.98Å; Y879-L904 HydrophobicContact CD2-CD2 4.2Å; Y879-L904 WeakPolarHBondContact CD2-O 3.5Å; Y879-L904 VanDerWaalsContact CE2-O 3.24Å; Y879-L904 WeakPolarHBondContact CE2-O 3.43Å; Y879-L904 HydrophobicContact CG-CD2 4.36Å; I896-L904 HydrophobicContact CG2-CD1 3.95Å; I896-L904 HydrophobicContact CG2-CD2 4.14Å; I896-L904 HydrophobicContact CG2-CG 3.93Å; M897-L904 WeakPolarHBondContact O-CA 3.3Å; G902-L904 PolarHBondContact O-N 3.25Å; L904-F935 HydrophobicContact CD1-CD1 4.47Å; L904-F935 HydrophobicContact CD1-CE1 4.03Å; L904-F935 HydrophobicContact CD1-CE2 4.2Å; L904-F935 HydrophobicContact CD1-CZ 3.89Å
905F96.9Very high89.8Confident2 Ų223.1 Ų23.11%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-150.5154.1172.166.7-77000112.7I808 Y810 V825 Y879 M897 R899 I907I808-F905 HydrophobicContact CB-CB 4.04Å; I808-F905 HydrophobicContact CB-CG 4.31Å; I808-F905 HydrophobicContact CD1-CB 4.2Å; I808-F905 HydrophobicContact CD1-CD1 3.78Å; I808-F905 HydrophobicContact CD1-CE1 4.48Å; I808-F905 HydrophobicContact CD1-CG 4.15Å; Y810-F905 HydrophobicContact CD1-CD2 4.28Å; Y810-F905 HydrophobicContact CE1-CD2 4.33Å; V825-F905 HydrophobicContact CB-CE1 4.39Å; V825-F905 HydrophobicContact CB-CE2 4.08Å; V825-F905 HydrophobicContact CB-CZ 3.69Å; V825-F905 HydrophobicContact CG1-CE1 3.94Å; V825-F905 HydrophobicContact CG1-CE2 4.43Å; V825-F905 HydrophobicContact CG1-CZ 3.76Å; V825-F905 HydrophobicContact CG2-CE2 3.89Å; V825-F905 HydrophobicContact CG2-CZ 4.02Å; Y879-F905 VanDerWaalsContact CE2-CA 3.4Å; Y879-F905 HydrophobicContact CE2-CB 3.61Å; Y879-F905 WeakPolarHBondContact OH-CB 3.42Å; M897-F905 HydrophobicContact CB-CD1 4.06Å; M897-F905 HydrophobicContact CB-CD2 4.31Å; M897-F905 HydrophobicContact CB-CE1 3.51Å; M897-F905 HydrophobicContact CB-CE2 3.81Å; M897-F905 HydrophobicContact CB-CG 4.42Å; M897-F905 HydrophobicContact CB-CZ 3.37Å; M897-F905 HydrophobicContact CE-CZ 4.31Å; M897-F905 HydrophobicContact CG-CE2 4.26Å; M897-F905 HydrophobicContact CG-CZ 4.09Å; M897-F905 PolarHBondContact N-O 3Å; M897-F905 PolarHBondContact O-N 2.76Å; M897-F905 HydrophobicContact SD-CE2 3.86Å; M897-F905 HydrophobicContact SD-CZ 3.72Å; R899-F905 HydrophobicContact CG-CD1 4.31Å; R899-F905 HydrophobicContact CG-CE1 3.87Å; F905-I907 HydrophobicContact CD2-CG2 3.89Å; F905-I907 HydrophobicContact CE2-CG2 3.63Å
906H94.5Very high88.8Confident6 Ų625.2 Ų25.23%0.02814%0.137CC..EExtended strand (participates in β ladder)trans-99.3146.7-179.4-70-141.4000109.7Y810 Y879 R891 F909Y810-H906 WeakPolarHBondContact CE1-O 3.31Å; Y879-H906 HydrophobicContact CD1-CB 3.88Å; Y879-H906 AromaticContact CD1-CD2 3.57Å; Y879-H906 AromaticContact CD1-CG 3.74Å; Y879-H906 HydrophobicContact CE1-CB 3.91Å; Y879-H906 AromaticContact CG-CD2 3.66Å; R891-H906 VanDerWaalsContact CD-ND1 3.32Å; R891-H906 WeakPolarHBondContact CD-ND1 3.4Å; H906-F909 HydrophobicContact CB-CE1 3.73Å; H906-F909 HydrophobicContact CB-CZ 3.92Å; H906-F909 WeakPolarHBondContact O-CZ 3.44Å
907I93.8Very high87.2Confident41 Ų4129.6 Ų29.621%0.2116%0.156CC..  trans-125.6168.7174.160.9164.6000111Y810 R891 N895 M897 F905Y810-I907 HydrophobicContact CE1-CG2 3.81Å; Y810-I907 WeakPolarHBondContact OH-CA 3.32Å; R891-I907 PolarHBondContact NH1-O 2.99Å; N895-I907 HydrophobicContact CB-CG1 3.98Å; N895-I907 WeakPolarHBondContact O-CG1 3.44Å; N895-I907 PolarHBondContact O-N 2.96Å; M897-I907 HydrophobicContact CG-CD1 4.11Å; M897-I907 HydrophobicContact CG-CG1 4.33Å; M897-I907 HydrophobicContact CG-CG2 4.35Å; M897-I907 HydrophobicContact SD-CD1 3.76Å; M897-I907 HydrophobicContact SD-CG1 4.37Å; M897-I907 HydrophobicContact SD-CG2 3.91Å; F905-I907 HydrophobicContact CD2-CG2 3.89Å; F905-I907 HydrophobicContact CE2-CG2 3.63Å
908D89.1Confident85.2Confident82 Ų8237.2 Ų37.244%0.43918%0.183SC..  trans5881173.8-167.32.7000112.6R891 N895 G910R891-D908 VanDerWaalsContact CZ-O 3.28Å; R891-D908 PolarHBondContact NH1-O 3.34Å; R891-D908 PolarHBondContact NH2-O 2.87Å; N895-D908 HydrophobicContact CB-CB 4.37Å; D908-G910 VanDerWaalsContact C-N 3.34Å; D908-G910 PolarHBondContact O-N 2.77Å
909F88.8Confident82.7Confident0 Ų043.7 Ų43.70%021%0.211CC..  trans-96.434.4-172.4-59.5-72.6000113.4D784 T787 L788 I791 Y810 I888 H906 H911D784-F909 PolarHBondContact OD1-N 3.05Å; T787-F909 HydrophobicContact CG2-CB 3.79Å; T787-F909 HydrophobicContact CG2-CD1 3.67Å; T787-F909 HydrophobicContact CG2-CD2 4.1Å; T787-F909 HydrophobicContact CG2-CE1 4.22Å; T787-F909 HydrophobicContact CG2-CG 3.59Å; L788-F909 HydrophobicContact CD1-CE2 4.48Å; L788-F909 HydrophobicContact CD2-CD2 4.48Å; L788-F909 HydrophobicContact CD2-CE2 3.73Å; L788-F909 HydrophobicContact CG-CD2 4.12Å; L788-F909 HydrophobicContact CG-CE2 3.85Å; I791-F909 HydrophobicContact CD1-CE1 4.01Å; I791-F909 HydrophobicContact CD1-CE2 4.32Å; I791-F909 HydrophobicContact CD1-CZ 3.72Å; Y810-F909 HydrophobicContact CE1-CE2 4.24Å; Y810-F909 WeakPolarHBondContact OH-CE2 3.4Å; I888-F909 HydrophobicContact CD1-CD1 3.88Å; I888-F909 HydrophobicContact CD1-CE1 4.09Å; I888-F909 HydrophobicContact CG2-CD1 3.87Å; H906-F909 HydrophobicContact CB-CE1 3.73Å; H906-F909 HydrophobicContact CB-CZ 3.92Å; H906-F909 WeakPolarHBondContact O-CZ 3.44Å; F909-H911 PolarHBondContact O-N 2.83Å
910G78.1Confident80.2Confident24 Ų2449.6 Ų49.625%0.24725%0.245CC..  trans-63.6-1.7-174.600000116.8Q783 D908Q783-G910 PolarHBondContact NE2-O 2.83Å; Q783-G910 VanDerWaalsContact NE2-O 3.11Å; D908-G910 VanDerWaalsContact C-N 3.34Å; D908-G910 PolarHBondContact O-N 2.77Å
911H83.2Confident77.7Confident40 Ų4049.8 Ų49.819%0.18527%0.265CS..  trans-139.7125.1176.5-62.6-63.8000112.2I888 G889 F909 K917 E985I888-H911 WeakPolarHBondContact CA-O 3.15Å; G889-H911 PolarHBondContact N-O 3.47Å; G889-H911 VanDerWaalsContact N-O 3.07Å; F909-H911 PolarHBondContact O-N 2.83Å; H911-K917 WeakPolarHBondContact NE2-CE 3.27Å; H911-K917 PolarHBondContact NE2-NZ 2.78Å; H911-E985 WeakPolarHBondContact CA-OE2 3.33Å; H911-E985 IonicContact CE1-OE1 2.79Å; H911-E985 PolarHBondContact CE1-OE1 3.16Å; H911-E985 IonicContact CG-OE1 3.89Å; H911-E985 IonicContact ND1-OE1 2.79Å; H911-E985 PolarHBondContact ND1-OE1 3.33Å
912F87.3Confident75.6Confident1 Ų152.1 Ų52.10%0.00427%0.274CS..  trans-142.7173179.177-38.6000113.5Q783 L786 G887 G914 N915 F975 L983 E985 L986Q783-F912 HydrophobicContact CG-CD1 3.98Å; Q783-F912 HydrophobicContact CG-CE1 3.86Å; Q783-F912 HydrophobicContact CG-CZ 4.41Å; L786-F912 HydrophobicContact CD2-CE2 3.78Å; L786-F912 HydrophobicContact CD2-CZ 4.05Å; G887-F912 CarbonylContact O-C 3.59Å; G887-F912 WeakPolarHBondContact O-CA 3.49Å; F912-G914 PolarHBondContact O-N 3.31Å; F912-N915 WeakPolarHBondContact O-CB 3.41Å; F912-N915 PolarHBondContact O-N 2.94Å; F912-N915 PolarHBondContact O-ND2 3.44Å; F912-F975 AromaticContact CD2-CE1 3.61Å; F912-F975 HydrophobicContact CD2-CE1 3.61Å; F912-F975 HydrophobicContact CD2-CZ 4.15Å; F912-F975 HydrophobicContact CE2-CD1 4.06Å; F912-F975 AromaticContact CE2-CE1 3.27Å; F912-F975 HydrophobicContact CE2-CE1 3.27Å; F912-F975 HydrophobicContact CE2-CZ 4.06Å; F912-F975 HydrophobicContact CZ-CE1 4.37Å; F912-L983 HydrophobicContact CZ-CD1 4.33Å; F912-E985 HydrophobicContact CD1-CB 3.83Å; F912-E985 WeakPolarHBondContact CD1-OE2 3.07Å; F912-E985 HydrophobicContact CE1-CB 3.63Å; F912-E985 PolarHBondContact N-OE2 3.33Å; F912-L986 HydrophobicContact CE1-CB 4.43Å; F912-L986 HydrophobicContact CZ-CB 3.96Å; F912-L986 HydrophobicContact CZ-CD2 4.27Å
913L83.8Confident73.6Confident6 Ų655.3 Ų55.33%0.03129%0.292CS..THydrogen-bonded Turntrans57.830.4-179.9-56.9173.7000114.4L886 G887 N915 F975 L986 D991 Y994 L995L886-L913 PolarHBondContact O-N 3.16Å; G887-L913 PolarHBondContact O-N 3.29Å; L913-N915 VanDerWaalsContact C-N 3.32Å; L913-N915 PolarHBondContact O-N 3.21Å; L913-F975 HydrophobicContact CD1-CD1 3.85Å; L913-F975 HydrophobicContact CD1-CE1 3.87Å; L913-F975 HydrophobicContact CD2-CD1 4.1Å; L913-F975 HydrophobicContact CD2-CE1 3.69Å; L913-F975 HydrophobicContact CD2-CZ 4.44Å; L913-F975 HydrophobicContact CG-CD1 4.41Å; L913-F975 HydrophobicContact CG-CE1 3.99Å; L913-L986 HydrophobicContact CD1-CB 4.48Å; L913-L986 HydrophobicContact CD1-CD1 3.78Å; L913-D991 HydrophobicContact CD1-CB 3.99Å; L913-Y994 HydrophobicContact CD2-CD1 4.43Å; L913-L995 HydrophobicContact CD2-CB 4.27Å
914G73.6Confident71.4Confident22 Ų2259.2 Ų59.223%0.22731%0.306CS..THydrogen-bonded Turntrans80.29.5177.600000115G887 F912 F916G887-G914 PolarHBondContact O-N 3.32Å; F912-G914 PolarHBondContact O-N 3.31Å; G914-F916 VanDerWaalsContact O-CD2 3.24Å; G914-F916 WeakPolarHBondContact O-CD2 3.14Å; G914-F916 PolarHBondContact O-N 3.33Å
915N74.5Confident69.5Low57 Ų5760.8 Ų60.831%0.30531%0.313SS..  trans-74.571.3172.3-72.8-57.1000111.3F912 L913 E985F912-N915 WeakPolarHBondContact O-CB 3.41Å; F912-N915 PolarHBondContact O-N 2.94Å; F912-N915 PolarHBondContact O-ND2 3.44Å; L913-N915 VanDerWaalsContact C-N 3.32Å; L913-N915 PolarHBondContact O-N 3.21Å; N915-E985 HydrophobicContact CB-CB 4.37Å; N915-E985 HydrophobicContact CB-CG 3.84Å; N915-E985 WeakPolarHBondContact ND2-CB 3.22Å; N915-E985 PolarHBondContact ND2-O 2.89Å
916F69.9Low67.3Low49 Ų4969.1 Ų69.122%0.21535%0.345CS..PPolyproline II helixtrans-83.1140.2-177-53.2-55000112.5G914 R918 E925G914-F916 VanDerWaalsContact O-CD2 3.24Å; G914-F916 WeakPolarHBondContact O-CD2 3.14Å; G914-F916 PolarHBondContact O-N 3.33Å; F916-R918 PolarHBondContact O-N 3.12Å; F916-E925 HydrophobicContact CD1-CB 4.23Å; F916-E925 WeakPolarHBondContact CD1-OE2 3.44Å; F916-E925 WeakPolarHBondContact CE1-OE2 3.33Å; F916-E925 HydrophobicContact CG-CB 4.23Å
917K60.2Low65.4Low91 Ų9170 Ų7040%0.39635%0.35SS..PPolyproline II helixtrans-57129.4173.3-77.1179.1178.8147.70111.1D890 H911 R924D890-K917 IonicContact OD2-NZ 3.49Å; D890-K917 PolarHBondContact OD2-NZ 2.95Å; H911-K917 WeakPolarHBondContact NE2-CE 3.27Å; H911-K917 PolarHBondContact NE2-NZ 2.78Å; K917-R924 VanDerWaalsContact O-CB 3.31Å; K917-R924 WeakPolarHBondContact O-CB 3.32Å; K917-R924 PolarHBondContact O-N 2.89Å
918R52.5Low63.4Low190 Ų19069.7 Ų69.772%0.71735%0.351SS*.EExtended strand (participates in β ladder)trans-94.8137.8172.8-68.4-177177.6172.85.9110.8F916 I922 N923F916-R918 PolarHBondContact O-N 3.12Å; R918-I922 WeakPolarHBondContact CA-O 3.33Å; R918-N923 VanDerWaalsContact CG-OD1 3.3Å; R918-N923 WeakPolarHBondContact CG-OD1 3.38Å; R918-N923 PolarHBondContact NE-OD1 3.35Å
919K43.5Very low62.3Low137 Ų13766.1 Ų66.160%0.59633%0.332SS*.EExtended strand (participates in β ladder)trans-127.6125167.9-168.3175.9-179.3-178.90108.2G921 I922 R924K919-G921 VanDerWaalsContact C-N 3.27Å; K919-G921 PolarHBondContact O-N 3.4Å; K919-I922 PolarHBondContact N-O 3.02Å; K919-I922 PolarHBondContact O-N 3.12Å; K919-R924 HydrophobicContact CB-CG 4.45Å
920L44.1Very low61.3Low168 Ų16866.9 Ų66.988%0.8834%0.336SS*.THydrogen-bonded Turntrans54.437.2-177.6-59.5169.7000114I922L920-I922 VanDerWaalsContact C-N 3.25Å; L920-I922 PolarHBondContact O-N 3.08Å
921G41.5Very low61.3Low71 Ų7165.8 Ų65.873%0.73232%0.324SS*.THydrogen-bonded Turntrans78.6-1.617900000115.6K919K919-G921 VanDerWaalsContact C-N 3.27Å; K919-G921 PolarHBondContact O-N 3.4Å
922I45.7Very low61.2Low95 Ų9563.9 Ų63.949%0.48732%0.315SS..EExtended strand (participates in β ladder)trans-107.7135.5176.6-55.7172.9000109R918 K919 L920 R924R918-I922 WeakPolarHBondContact CA-O 3.33Å; K919-I922 PolarHBondContact N-O 3.02Å; K919-I922 PolarHBondContact O-N 3.12Å; L920-I922 VanDerWaalsContact C-N 3.25Å; L920-I922 PolarHBondContact O-N 3.08Å; I922-R924 PolarHBondContact O-N 3.22Å
923N53Low60.8Low67 Ų6767.2 Ų67.236%0.35833%0.328SS..EExtended strand (participates in β ladder)trans-61.2130.7172.2-68.7-10.1000109.4R918 E925R918-N923 VanDerWaalsContact CG-OD1 3.3Å; R918-N923 WeakPolarHBondContact CG-OD1 3.38Å; R918-N923 PolarHBondContact NE-OD1 3.35Å; N923-E925 PolarHBondContact O-N 3.38Å
924R48.1Very low60.8Low93 Ų9367 Ų6735%0.35133%0.327SS..SBendtrans-61.3-33.8178-100-177.7150.3-174.6-3.6112.3D890 K917 K919 I922D890-R924 IonicContact OD1-NH1 2.72Å; K917-R924 VanDerWaalsContact O-CB 3.31Å; K917-R924 WeakPolarHBondContact O-CB 3.32Å; K917-R924 PolarHBondContact O-N 2.89Å; K919-R924 HydrophobicContact CB-CG 4.45Å; I922-R924 PolarHBondContact O-N 3.22Å
925E56.7Low61.6Low35 Ų3566 Ų6616%0.16432%0.317CS..  trans-100123.8180-76168.7143.600110.6G889 D890 R891 F916 N923G889-E925 WeakPolarHBondContact CA-OE2 3.3Å; D890-E925 WeakPolarHBondContact CA-OE1 3.42Å; D890-E925 PolarHBondContact N-OE1 3.14Å; D890-E925 PolarHBondContact N-OE2 2.98Å; R891-E925 PolarHBondContact N-OE1 2.87Å; F916-E925 HydrophobicContact CD1-CB 4.23Å; F916-E925 WeakPolarHBondContact CD1-OE2 3.44Å; F916-E925 WeakPolarHBondContact CE1-OE2 3.33Å; F916-E925 HydrophobicContact CG-CB 4.23Å; N923-E925 PolarHBondContact O-N 3.38Å
926R51.4Low62.3Low176 Ų17663.9 Ų63.966%0.66431%0.306SS*.  trans-110.2-12.3-179.4-60.8-174.1-175.4-174.61.9112.8
927V53.7Low63.2Low24 Ų2462.3 Ų62.315%0.14530%0.299CS..SBendtrans-113.4134.1-173.2-165.30000109.2F929 A1019 E1022V927-F929 VanDerWaalsContact C-N 3.28Å; V927-F929 VanDerWaalsContact CG1-O 3.31Å; V927-F929 WeakPolarHBondContact CG1-O 3.42Å; V927-F929 PolarHBondContact O-N 2.94Å; V927-A1019 HydrophobicContact CG1-CB 3.54Å; V927-E1022 HydrophobicContact CG2-CB 3.96Å; V927-E1022 WeakPolarHBondContact CG2-OE2 3.44Å
928P53.5Low64.7Low36 Ų3658 Ų5823%0.23428%0.28CS..SBendtrans-67.5-21.4-174.725.7-35.9000114.6Y884 K1015Y884-P928 HydrophobicContact CD2-CB 3.96Å; Y884-P928 HydrophobicContact CE2-CB 3.97Å; P928-K1015 HydrophobicContact CB-CD 4.19Å; P928-K1015 HydrophobicContact CG-CB 4.15Å; P928-K1015 HydrophobicContact CG-CD 3.79Å
929F65.3Low66.5Low7 Ų749 Ų493%0.03125%0.246CC..SBendtrans-155.6161.9171.370.3-85.3000111.3C880 V927 L931 K1015 F1016 A1019C880-F929 HydrophobicContact CB-CD2 4.06Å; C880-F929 HydrophobicContact CB-CE2 4.49Å; V927-F929 VanDerWaalsContact C-N 3.28Å; V927-F929 VanDerWaalsContact CG1-O 3.31Å; V927-F929 WeakPolarHBondContact CG1-O 3.42Å; V927-F929 PolarHBondContact O-N 2.94Å; F929-L931 HydrophobicContact CD2-CB 4.34Å; F929-L931 HydrophobicContact CE2-CB 3.87Å; F929-K1015 WeakPolarHBondContact CE1-O 3.47Å; F929-F1016 HydrophobicContact CE1-CB 4.27Å; F929-F1016 HydrophobicContact CE1-CD2 4.33Å; F929-F1016 HydrophobicContact CE2-CD2 4.09Å; F929-F1016 HydrophobicContact CE2-CE2 4.34Å; F929-F1016 HydrophobicContact CZ-CB 4.07Å; F929-F1016 AromaticContact CZ-CD2 3.48Å; F929-F1016 HydrophobicContact CZ-CD2 3.48Å; F929-F1016 VanDerWaalsContact CZ-CD2 3.48Å; F929-F1016 HydrophobicContact CZ-CE2 4.14Å; F929-F1016 AromaticContact CZ-CG 3.92Å; F929-F1016 HydrophobicContact CZ-CG 3.92Å; F929-A1019 HydrophobicContact CD1-CB 3.91Å; F929-A1019 HydrophobicContact CD2-CB 4.35Å; F929-A1019 HydrophobicContact CE1-CB 3.36Å; F929-A1019 HydrophobicContact CE2-CB 3.87Å; F929-A1019 HydrophobicContact CG-CB 4.36Å; F929-A1019 HydrophobicContact CZ-CB 3.33Å
930I67.4Low68.8Low16 Ų1643.5 Ų43.58%0.08222%0.223CC..  trans-103.3102.1-167.1-69.8170.4000110.4R891 T932 T1026 W1030R891-I930 HydrophobicContact CB-CD1 3.33Å; R891-I930 HydrophobicContact CG-CD1 3.6Å; I930-T932 HydrophobicContact CG2-CG2 4.02Å; I930-T1026 HydrophobicContact CG2-CG2 4.25Å; I930-W1030 HydrophobicContact CG2-CH2 4.4Å; I930-W1030 HydrophobicContact CG2-CZ2 3.66Å
931L78.3Confident70.8Confident1 Ų137.7 Ų37.71%0.00519%0.191CC..  trans-122.5101.5168.9-17865.9000108F929 F935 V936 F950 F953 F1016 L1020 S1023F929-L931 HydrophobicContact CD2-CB 4.34Å; F929-L931 HydrophobicContact CE2-CB 3.87Å; L931-F935 HydrophobicContact CD1-CB 4.33Å; L931-V936 HydrophobicContact CD1-CG2 4.05Å; L931-V936 HydrophobicContact CD2-CG2 4.12Å; L931-V936 HydrophobicContact CG-CG2 3.86Å; L931-F950 HydrophobicContact CD2-CE2 4.31Å; L931-F950 HydrophobicContact CD2-CZ 4.29Å; L931-F953 HydrophobicContact CD1-CE1 3.91Å; L931-F953 HydrophobicContact CD1-CZ 3.8Å; L931-F953 HydrophobicContact CD2-CE1 4.02Å; L931-F1016 HydrophobicContact CD2-CZ 4.22Å; L931-L1020 HydrophobicContact CD2-CD1 4.07Å; L931-S1023 WeakPolarHBondContact O-CB 3.28Å
932T80.4Confident72.7Confident0 Ų035.7 Ų35.70%017%0.17CC..  trans-90.5157.7-178.1640000111.5I930 D934 F935 V936 T1026 W1030I930-T932 HydrophobicContact CG2-CG2 4.02Å; T932-D934 PolarHBondContact O-N 3.44Å; T932-F935 WeakPolarHBondContact O-CB 3.3Å; T932-F935 PolarHBondContact O-N 2.97Å; T932-F935 WeakPolarHBondContact OG1-CD2 3.19Å; T932-F935 WeakPolarHBondContact OG1-CG 3.43Å; T932-V936 PolarHBondContact O-N 3.42Å; T932-V936 VanDerWaalsContact O-N 3.14Å; T932-T1026 HydrophobicContact CG2-CG2 3.68Å; T932-W1030 HydrophobicContact CG2-CD2 4.1Å; T932-W1030 HydrophobicContact CG2-CE3 3.77Å; T932-W1030 HydrophobicContact CG2-CH2 3.14Å; T932-W1030 HydrophobicContact CG2-CZ2 3.39Å; T932-W1030 HydrophobicContact CG2-CZ3 3.31Å; T932-W1030 WeakPolarHBondContact OG1-CZ3 3.45Å
933Y80.1Confident74.4Confident70 Ų7038.8 Ų38.828%0.27518%0.176SC..Hα-helixtrans-55.8-34.7177.9-171.8-81000112.2K849 F935 V936 H937K849-Y933 HydrophobicContact CB-CE1 4.45Å; K849-Y933 HydrophobicContact CD-CD1 3.66Å; K849-Y933 HydrophobicContact CD-CE1 3.32Å; K849-Y933 HydrophobicContact CG-CD1 3.8Å; K849-Y933 HydrophobicContact CG-CE1 3.88Å; K849-Y933 PolarHBondContact NZ-OH 2.89Å; Y933-F935 VanDerWaalsContact C-N 3.31Å; Y933-F935 PolarHBondContact O-N 3.02Å; Y933-V936 PolarHBondContact O-N 2.74Å; Y933-H937 HydrophobicContact CE1-CB 4.39Å; Y933-H937 WeakPolarHBondContact O-CB 3.09Å; Y933-H937 PolarHBondContact O-N 2.84Å
934D84.4Confident75.3Confident1 Ų140.9 Ų40.91%0.00519%0.192CC..Hα-helixtrans-66.2-35-179.7-57.4-16.4000111.2Q835 L852 T932 V938 K1027Q835-D934 PolarHBondContact NE2-OD2 3.2Å; L852-D934 HydrophobicContact CD1-CB 4Å; T932-D934 PolarHBondContact O-N 3.44Å; D934-V938 WeakPolarHBondContact O-CG2 3.48Å; D934-V938 PolarHBondContact O-N 2.8Å; D934-K1027 IonicContact OD1-NZ 3.19Å; D934-K1027 PolarHBondContact OD1-NZ 3.01Å; D934-K1027 IonicContact OD2-NZ 3.08Å
935F90.4Very high76.2Confident2 Ų243.7 Ų43.71%0.00921%0.214CC..Hα-helixtrans-71.3-43.8175.3-59.4-15.1000111.8I831 L852 F872 I896 L904 L931 T932 Y933 H937 V938 I939 W1030I831-F935 HydrophobicContact CD1-CE1 3.35Å; I831-F935 HydrophobicContact CD1-CZ 3.41Å; I831-F935 VanDerWaalsContact CD1-CZ 3.41Å; L852-F935 HydrophobicContact CD1-CD1 4.16Å; L852-F935 HydrophobicContact CD1-CE1 4.1Å; F872-F935 HydrophobicContact CE1-CB 4.2Å; F872-F935 HydrophobicContact CZ-CB 4.12Å; F872-F935 AromaticContact CZ-CD1 3.7Å; F872-F935 HydrophobicContact CZ-CD1 3.7Å; F872-F935 HydrophobicContact CZ-CE1 4.35Å; F872-F935 HydrophobicContact CZ-CG 4.06Å; I896-F935 HydrophobicContact CD1-CE2 4.36Å; I896-F935 HydrophobicContact CD1-CZ 4.12Å; I896-F935 HydrophobicContact CG2-CZ 4.17Å; L904-F935 HydrophobicContact CD1-CD1 4.47Å; L904-F935 HydrophobicContact CD1-CE1 4.03Å; L904-F935 HydrophobicContact CD1-CE2 4.2Å; L904-F935 HydrophobicContact CD1-CZ 3.89Å; L931-F935 HydrophobicContact CD1-CB 4.33Å; T932-F935 WeakPolarHBondContact O-CB 3.3Å; T932-F935 PolarHBondContact O-N 2.97Å; T932-F935 WeakPolarHBondContact OG1-CD2 3.19Å; T932-F935 WeakPolarHBondContact OG1-CG 3.43Å; Y933-F935 VanDerWaalsContact C-N 3.31Å; Y933-F935 PolarHBondContact O-N 3.02Å; F935-H937 PolarHBondContact O-N 3.46Å; F935-V938 PolarHBondContact O-N 3.29Å; F935-I939 WeakPolarHBondContact O-CD1 3.41Å; F935-I939 VanDerWaalsContact O-CG1 3.3Å; F935-I939 WeakPolarHBondContact O-CG1 3.5Å; F935-I939 PolarHBondContact O-N 3.43Å; F935-W1030 HydrophobicContact CE1-CH2 4.34Å; F935-W1030 HydrophobicContact CE2-CH2 4.01Å; F935-W1030 AromaticContact CZ-CH2 3.67Å; F935-W1030 HydrophobicContact CZ-CH2 3.67Å; F935-W1030 HydrophobicContact CZ-CZ3 4.41Å
936V88.4Confident77.2Confident12 Ų1243 Ų437%0.07321%0.211CC..Hα-helixtrans-58.2-42.4175.5177.80000110.1L931 T932 Y933 V938 I939 Q940 F950 L1020L931-V936 HydrophobicContact CD1-CG2 4.05Å; L931-V936 HydrophobicContact CD2-CG2 4.12Å; L931-V936 HydrophobicContact CG-CG2 3.86Å; T932-V936 PolarHBondContact O-N 3.42Å; T932-V936 VanDerWaalsContact O-N 3.14Å; Y933-V936 PolarHBondContact O-N 2.74Å; V936-V938 PolarHBondContact O-N 3.23Å; V936-I939 PolarHBondContact O-N 2.81Å; V936-Q940 HydrophobicContact CG1-CG 4.25Å; V936-Q940 WeakPolarHBondContact O-CB 3.37Å; V936-Q940 VanDerWaalsContact O-CG 3.29Å; V936-Q940 WeakPolarHBondContact O-CG 3.44Å; V936-Q940 PolarHBondContact O-N 3.03Å; V936-F950 HydrophobicContact CG1-CD2 4.15Å; V936-F950 HydrophobicContact CG1-CE2 4.08Å; V936-F950 HydrophobicContact CG2-CE2 4.06Å; V936-L1020 HydrophobicContact CG2-CD1 4.14Å
937H88.5Confident78.5Confident16 Ų1638.7 Ų38.77%0.07421%0.207CC..Hα-helixtrans-62.1-41.4177.7-175.378.1000112.9K849 D850 Y933 F935 Q940 Q941 G942K849-H937 PolarHBondContact O-CD2 3.41Å; K849-H937 VanDerWaalsContact O-CD2 3.29Å; D850-H937 IonicContact OD1-CE1 3.7Å; D850-H937 IonicContact OD1-NE2 3.49Å; D850-H937 PolarHBondContact OD1-NE2 3Å; Y933-H937 HydrophobicContact CE1-CB 4.39Å; Y933-H937 WeakPolarHBondContact O-CB 3.09Å; Y933-H937 PolarHBondContact O-N 2.84Å; F935-H937 PolarHBondContact O-N 3.46Å; H937-Q940 PolarHBondContact O-N 3.07Å; H937-Q941 PolarHBondContact O-N 3.45Å; H937-G942 WeakPolarHBondContact CE1-CA 3.49Å; H937-G942 PolarHBondContact CE1-O 2.86Å; H937-G942 PolarHBondContact O-N 3.31Å
938V91.8Very high80.2Confident0 Ų044.6 Ų44.60%023%0.234CC..Hα-helixtrans-64-47.3173.8173.10000111.3L852 L853 L856 F872 D934 F935 V936 Q940 Q941L852-V938 HydrophobicContact CB-CG2 3.9Å; L853-V938 HydrophobicContact CB-CG2 4.26Å; L856-V938 HydrophobicContact CD1-CG1 3.71Å; F872-V938 HydrophobicContact CB-CG1 4.38Å; F872-V938 HydrophobicContact CD1-CB 4.11Å; F872-V938 HydrophobicContact CD1-CG1 3.48Å; F872-V938 VanDerWaalsContact CD1-CG1 3.48Å; F872-V938 HydrophobicContact CD2-CG1 4.21Å; F872-V938 HydrophobicContact CE1-CB 3.83Å; F872-V938 HydrophobicContact CE1-CG1 3.73Å; F872-V938 HydrophobicContact CE2-CG1 4.4Å; F872-V938 HydrophobicContact CG-CG1 3.75Å; F872-V938 HydrophobicContact CZ-CB 4.2Å; F872-V938 HydrophobicContact CZ-CG1 4.19Å; D934-V938 WeakPolarHBondContact O-CG2 3.48Å; D934-V938 PolarHBondContact O-N 2.8Å; F935-V938 PolarHBondContact O-N 3.29Å; V936-V938 PolarHBondContact O-N 3.23Å; V938-Q940 VanDerWaalsContact C-N 3.28Å; V938-Q940 PolarHBondContact O-N 3Å; V938-Q941 PolarHBondContact O-N 3.35Å
939I91.4Very high81.9Confident1 Ų145.7 Ų45.71%0.00524%0.235CC..Hα-helixtrans-60-39.2179.2-68.3162.6000111.2F872 T873 F935 V936 Q941 K949 F950 F953F872-I939 HydrophobicContact CD1-CG1 4.12Å; F872-I939 HydrophobicContact CE1-CD1 4.47Å; F872-I939 HydrophobicContact CE1-CG1 4.08Å; T873-I939 HydrophobicContact CG2-CG1 4.38Å; T873-I939 HydrophobicContact CG2-CG2 4.21Å; F935-I939 WeakPolarHBondContact O-CD1 3.41Å; F935-I939 VanDerWaalsContact O-CG1 3.3Å; F935-I939 WeakPolarHBondContact O-CG1 3.5Å; F935-I939 PolarHBondContact O-N 3.43Å; V936-I939 PolarHBondContact O-N 2.81Å; I939-Q941 PolarHBondContact O-N 3.29Å; I939-K949 WeakPolarHBondContact O-CB 3.47Å; I939-F950 HydrophobicContact CG2-CD2 4.46Å; I939-F953 HydrophobicContact CD1-CD1 4.27Å; I939-F953 HydrophobicContact CD1-CD2 3.72Å; I939-F953 HydrophobicContact CD1-CE1 4.38Å; I939-F953 HydrophobicContact CD1-CE2 3.83Å; I939-F953 HydrophobicContact CD1-CG 3.95Å; I939-F953 HydrophobicContact CD1-CZ 4.18Å; I939-F953 HydrophobicContact CG2-CB 3.96Å; I939-F953 HydrophobicContact CG2-CG 4.4Å
940Q90.3Very high83.1Confident22 Ų2246 Ų4610%0.10324%0.236CC..THydrogen-bonded Turntrans-805.6177.7-67-177.2-45.700113.7V936 H937 V938 G942 R943 N946 F950V936-Q940 HydrophobicContact CG1-CG 4.25Å; V936-Q940 WeakPolarHBondContact O-CB 3.37Å; V936-Q940 VanDerWaalsContact O-CG 3.29Å; V936-Q940 WeakPolarHBondContact O-CG 3.44Å; V936-Q940 PolarHBondContact O-N 3.03Å; H937-Q940 PolarHBondContact O-N 3.07Å; V938-Q940 VanDerWaalsContact C-N 3.28Å; V938-Q940 PolarHBondContact O-N 3Å; Q940-G942 PolarHBondContact O-N 2.89Å; Q940-R943 VanDerWaalsContact CB-O 3.25Å; Q940-R943 WeakPolarHBondContact CB-O 3.3Å; Q940-R943 PolarHBondContact O-N 3.1Å; Q940-R943 PolarHBondContact OE1-O 3.48Å; Q940-N946 HydrophobicContact CB-CB 3.97Å; Q940-N946 HydrophobicContact CG-CB 4.3Å; Q940-F950 HydrophobicContact CG-CB 4.34Å
941Q87.6Confident84.2Confident46 Ų4648.8 Ų48.822%0.21525%0.249CC..THydrogen-bonded Turntrans5835.9-179.2-53.4178.5-52.600112.7D866 I869 H937 V938 I939 R943D866-Q941 PolarHBondContact OD1-NE2 3.36Å; I869-Q941 HydrophobicContact CD1-CB 4.39Å; I869-Q941 HydrophobicContact CD1-CG 3.93Å; I869-Q941 HydrophobicContact CG2-CG 4.16Å; H937-Q941 PolarHBondContact O-N 3.45Å; V938-Q941 PolarHBondContact O-N 3.35Å; I939-Q941 PolarHBondContact O-N 3.29Å; Q941-R943 VanDerWaalsContact C-N 3.27Å; Q941-R943 PolarHBondContact O-N 3.27Å
942G81.3Confident84.9Confident29 Ų2952 Ų5230%0.29926%0.261SS..THydrogen-bonded Turntrans78.62.9179.600000115.5H937 Q940H937-G942 WeakPolarHBondContact CE1-CA 3.49Å; H937-G942 PolarHBondContact CE1-O 2.86Å; H937-G942 PolarHBondContact O-N 3.31Å; Q940-G942 PolarHBondContact O-N 2.89Å
943R81.2Confident85.6Confident161 Ų16152 Ų5261%0.60826%0.261SS*.  trans-94.8136.6-179.4-58.2-179.7-176.9-1791.1110.6Q940 Q941 N945 N946Q940-R943 VanDerWaalsContact CB-O 3.25Å; Q940-R943 WeakPolarHBondContact CB-O 3.3Å; Q940-R943 PolarHBondContact O-N 3.1Å; Q940-R943 PolarHBondContact OE1-O 3.48Å; Q941-R943 VanDerWaalsContact C-N 3.27Å; Q941-R943 PolarHBondContact O-N 3.27Å; R943-N945 VanDerWaalsContact C-N 3.3Å; R943-N945 PolarHBondContact O-N 3.15Å; R943-N946 HydrophobicContact CB-CB 4.2Å
944T70.8Confident86.3Confident111 Ų11151.1 Ų51.168%0.68126%0.257SS*.THydrogen-bonded Turntrans-65.6-25.3-176.312.40000114.6
945N68Low86.8Confident152 Ų15255.7 Ų55.781%0.81328%0.278SS*.THydrogen-bonded Turntrans-13846.4-176.1-84.1-10.6000113.1R943 S947R943-N945 VanDerWaalsContact C-N 3.3Å; R943-N945 PolarHBondContact O-N 3.15Å; N945-S947 VanDerWaalsContact C-N 3.3Å; N945-S947 PolarHBondContact O-N 3.18Å
946N77.8Confident87Confident21 Ų2157 Ų5711%0.11228%0.283CS..  trans-81.479.1170.1-165.8-15.9000110.3Q940 R943 E948 K949 F950Q940-N946 HydrophobicContact CB-CB 3.97Å; Q940-N946 HydrophobicContact CG-CB 4.3Å; R943-N946 HydrophobicContact CB-CB 4.2Å; N946-E948 VanDerWaalsContact C-N 3.34Å; N946-E948 PolarHBondContact O-N 2.97Å; N946-K949 WeakPolarHBondContact ND2-CG 3.26Å; N946-K949 PolarHBondContact OD1-N 3.1Å; N946-F950 PolarHBondContact O-N 3.04Å
947S78.3Confident87.4Confident84 Ų8456.4 Ų56.459%0.58728%0.28SS*.Hα-helixtrans-62.5-39.9-176.754.70000112.1N945 K949 F950 E951N945-S947 VanDerWaalsContact C-N 3.3Å; N945-S947 PolarHBondContact O-N 3.18Å; S947-K949 PolarHBondContact O-N 3.05Å; S947-F950 PolarHBondContact O-N 2.95Å; S947-E951 WeakPolarHBondContact O-CB 3.48Å; S947-E951 VanDerWaalsContact O-CG 3.3Å; S947-E951 WeakPolarHBondContact O-CG 3.32Å; S947-E951 PolarHBondContact O-N 2.88Å
948E89.4Confident87.7Confident149 Ų14957.2 Ų57.270%0.69628%0.283SS*.Hα-helixtrans-58.1-51.1-178-171.3-167.1153.800112.4N946 F950 E951 R952N946-E948 VanDerWaalsContact C-N 3.34Å; N946-E948 PolarHBondContact O-N 2.97Å; E948-F950 VanDerWaalsContact C-N 3.33Å; E948-F950 PolarHBondContact O-N 2.81Å; E948-E951 PolarHBondContact O-N 3.38Å; E948-R952 PolarHBondContact O-N 3.23Å
949K89.3Confident87.9Confident59 Ų5962.2 Ų62.226%0.25731%0.305SS..Hα-helixtrans-64-39179.3-68.1-65.9-173.9177.50112.1I939 N946 S947 R952 F953I939-K949 WeakPolarHBondContact O-CB 3.47Å; N946-K949 WeakPolarHBondContact ND2-CG 3.26Å; N946-K949 PolarHBondContact OD1-N 3.1Å; S947-K949 PolarHBondContact O-N 3.05Å; K949-R952 PolarHBondContact O-N 2.79Å; K949-F953 PolarHBondContact O-N 3.07Å; K949-F953 VanDerWaalsContact O-N 3.08Å
950F89.7Confident88.2Confident13 Ų1362.2 Ų62.26%0.05731%0.305CS..Hα-helixtrans-72.3-36.9179.6-170.3-104.2000112.8L931 V936 I939 Q940 N946 S947 E948 F953 R954 F1016 L1020L931-F950 HydrophobicContact CD2-CE2 4.31Å; L931-F950 HydrophobicContact CD2-CZ 4.29Å; V936-F950 HydrophobicContact CG1-CD2 4.15Å; V936-F950 HydrophobicContact CG1-CE2 4.08Å; V936-F950 HydrophobicContact CG2-CE2 4.06Å; I939-F950 HydrophobicContact CG2-CD2 4.46Å; Q940-F950 HydrophobicContact CG-CB 4.34Å; N946-F950 PolarHBondContact O-N 3.04Å; S947-F950 PolarHBondContact O-N 2.95Å; E948-F950 VanDerWaalsContact C-N 3.33Å; E948-F950 PolarHBondContact O-N 2.81Å; F950-F953 HydrophobicContact CD2-CD1 4.25Å; F950-F953 AromaticContact CE2-CD1 3.95Å; F950-F953 HydrophobicContact CE2-CD1 3.95Å; F950-F953 HydrophobicContact CE2-CE1 4.31Å; F950-F953 WeakPolarHBondContact O-CB 3.47Å; F950-F953 PolarHBondContact O-N 3.48Å; F950-R954 PolarHBondContact O-N 3.36Å; F950-F1016 HydrophobicContact CE1-CE1 4.31Å; F950-F1016 HydrophobicContact CZ-CE1 4.07Å; F950-F1016 HydrophobicContact CZ-CZ 4.15Å; F950-L1020 HydrophobicContact CE1-CD1 4.42Å; F950-L1020 HydrophobicContact CE1-CD2 3.71Å; F950-L1020 HydrophobicContact CE2-CD1 4.33Å; F950-L1020 HydrophobicContact CZ-CD1 3.69Å; F950-L1020 HydrophobicContact CZ-CD2 3.76Å; F950-L1020 HydrophobicContact CZ-CG 4.34Å
951E90.9Very high88.5Confident75 Ų7561.3 Ų61.335%0.3530%0.301SS..Hα-helixtrans-65-40.6172.9-71.9-56.4142.100111S947 E948 F953 R954 E955S947-E951 WeakPolarHBondContact O-CB 3.48Å; S947-E951 VanDerWaalsContact O-CG 3.3Å; S947-E951 WeakPolarHBondContact O-CG 3.32Å; S947-E951 PolarHBondContact O-N 2.88Å; E948-E951 PolarHBondContact O-N 3.38Å; E951-F953 VanDerWaalsContact C-N 3.32Å; E951-F953 PolarHBondContact O-N 3.45Å; E951-R954 WeakPolarHBondContact O-CA 3.49Å; E951-R954 WeakPolarHBondContact O-CB 3.25Å; E951-R954 PolarHBondContact O-N 3.08Å; E951-R954 VanDerWaalsContact O-N 3.08Å; E951-R954 IonicContact OE1-CZ 2.72Å; E951-R954 IonicContact OE1-NH1 3.76Å; E951-R954 PolarHBondContact OE1-NH1 3.09Å; E951-R954 IonicContact OE1-NH2 3.16Å; E951-R954 PolarHBondContact OE1-NH2 3.01Å; E951-R954 IonicContact OE2-CZ 3.93Å; E951-R954 IonicContact OE2-NE 3.59Å; E951-R954 IonicContact OE2-NH1 3.61Å; E951-R954 PolarHBondContact OE2-NH1 3.23Å; E951-R954 IonicContact OE2-NH2 2.84Å; E951-E955 WeakPolarHBondContact O-CG 3.28Å; E951-E955 PolarHBondContact O-N 3.45Å
952R93.8Very high88.8Confident68 Ų6861.2 Ų61.226%0.25730%0.3SS..Hα-helixtrans-59.6-41.7172.9-169.5179.8176.4-152.1-1.9112.4E870 E948 K949 E955 Y956E870-R952 IonicContact OE1-CZ 2.84Å; E870-R952 IonicContact OE1-NH1 3.32Å; E870-R952 PolarHBondContact OE1-NH1 2.81Å; E870-R952 IonicContact OE1-NH2 3.33Å; E870-R952 PolarHBondContact OE1-NH2 3Å; E870-R952 IonicContact OE2-CZ 2.75Å; E870-R952 IonicContact OE2-NH1 3.82Å; E870-R952 PolarHBondContact OE2-NH1 3.47Å; E870-R952 IonicContact OE2-NH2 2.8Å; E948-R952 PolarHBondContact O-N 3.23Å; K949-R952 PolarHBondContact O-N 2.79Å; R952-E955 PolarHBondContact O-N 2.96Å; R952-Y956 HydrophobicContact CG-CD2 4.38Å; R952-Y956 HydrophobicContact CG-CE2 3.71Å; R952-Y956 PolarHBondContact NE-OH 3.45Å; R952-Y956 PolarHBondContact NH2-OH 3.21Å; R952-Y956 VanDerWaalsContact O-CD2 3.22Å; R952-Y956 WeakPolarHBondContact O-CD2 3.48Å; R952-Y956 PolarHBondContact O-N 2.97Å; R952-Y956 VanDerWaalsContact O-N 3.07Å
953F94.4Very high89.5Confident0 Ų060.4 Ų60.40%029%0.288CS..Hα-helixtrans-59.9-43.7172.2167.7-101.8000112.2T873 C876 A877 L931 I939 K949 F950 E951 Y956 C957 F1016T873-F953 HydrophobicContact CG2-CB 3.88Å; T873-F953 HydrophobicContact CG2-CD2 3.95Å; T873-F953 HydrophobicContact CG2-CG 4.39Å; C876-F953 HydrophobicContact CB-CE2 4.18Å; A877-F953 HydrophobicContact CB-CD2 3.95Å; A877-F953 HydrophobicContact CB-CE2 3.81Å; L931-F953 HydrophobicContact CD1-CE1 3.91Å; L931-F953 HydrophobicContact CD1-CZ 3.8Å; L931-F953 HydrophobicContact CD2-CE1 4.02Å; I939-F953 HydrophobicContact CD1-CD1 4.27Å; I939-F953 HydrophobicContact CD1-CD2 3.72Å; I939-F953 HydrophobicContact CD1-CE1 4.38Å; I939-F953 HydrophobicContact CD1-CE2 3.83Å; I939-F953 HydrophobicContact CD1-CG 3.95Å; I939-F953 HydrophobicContact CD1-CZ 4.18Å; I939-F953 HydrophobicContact CG2-CB 3.96Å; I939-F953 HydrophobicContact CG2-CG 4.4Å; K949-F953 PolarHBondContact O-N 3.07Å; K949-F953 VanDerWaalsContact O-N 3.08Å; F950-F953 HydrophobicContact CD2-CD1 4.25Å; F950-F953 AromaticContact CE2-CD1 3.95Å; F950-F953 HydrophobicContact CE2-CD1 3.95Å; F950-F953 HydrophobicContact CE2-CE1 4.31Å; F950-F953 WeakPolarHBondContact O-CB 3.47Å; F950-F953 PolarHBondContact O-N 3.48Å; E951-F953 VanDerWaalsContact C-N 3.32Å; E951-F953 PolarHBondContact O-N 3.45Å; F953-Y956 PolarHBondContact O-N 2.96Å; F953-C957 PolarHBondContact O-N 2.94Å; F953-C957 VanDerWaalsContact O-N 3.13Å; F953-C957 PolarHBondContact O-SG 2.95Å; F953-F1016 HydrophobicContact CD1-CZ 4.05Å; F953-F1016 AromaticContact CE1-CE2 3.85Å; F953-F1016 HydrophobicContact CE1-CE2 3.85Å; F953-F1016 AromaticContact CE1-CZ 3.68Å; F953-F1016 HydrophobicContact CE1-CZ 3.68Å
954R93.7Very high90.2Very high52 Ų5252.7 Ų52.720%0.19626%0.259CS..Hα-helixtrans-61.2-45.7175.7-171-171.9-64.5147.914.5111.2F950 E951 Y956 C957 E958 F1016F950-R954 PolarHBondContact O-N 3.36Å; E951-R954 WeakPolarHBondContact O-CA 3.49Å; E951-R954 WeakPolarHBondContact O-CB 3.25Å; E951-R954 PolarHBondContact O-N 3.08Å; E951-R954 VanDerWaalsContact O-N 3.08Å; E951-R954 IonicContact OE1-CZ 2.72Å; E951-R954 IonicContact OE1-NH1 3.76Å; E951-R954 PolarHBondContact OE1-NH1 3.09Å; E951-R954 IonicContact OE1-NH2 3.16Å; E951-R954 PolarHBondContact OE1-NH2 3.01Å; E951-R954 IonicContact OE2-CZ 3.93Å; E951-R954 IonicContact OE2-NE 3.59Å; E951-R954 IonicContact OE2-NH1 3.61Å; E951-R954 PolarHBondContact OE2-NH1 3.23Å; E951-R954 IonicContact OE2-NH2 2.84Å; R954-Y956 VanDerWaalsContact C-N 3.28Å; R954-Y956 PolarHBondContact O-N 3.17Å; R954-C957 WeakPolarHBondContact O-CB 3.38Å; R954-C957 PolarHBondContact O-N 3.12Å; R954-C957 VanDerWaalsContact O-N 3.11Å; R954-E958 WeakPolarHBondContact CD-OE1 3.4Å; R954-E958 HydrophobicContact CG-CG 4.36Å; R954-E958 WeakPolarHBondContact CG-OE1 3.46Å; R954-E958 WeakPolarHBondContact O-CG 3.48Å; R954-E958 PolarHBondContact O-N 3.3Å; R954-F1016 HydrophobicContact CB-CE1 4.44Å; R954-F1016 HydrophobicContact CB-CZ 4.3Å; R954-F1016 HydrophobicContact CG-CD1 4.39Å; R954-F1016 HydrophobicContact CG-CE1 4.04Å; R954-F1016 HydrophobicContact CG-CZ 4.19Å
955E95.1Very high91.2Very high96 Ų9648.4 Ų48.445%0.44923%0.234SC..Hα-helixtrans-58.1-39176.5-73.3-177.1-165.100112.6E951 R952 E958 K959E951-E955 WeakPolarHBondContact O-CG 3.28Å; E951-E955 PolarHBondContact O-N 3.45Å; R952-E955 PolarHBondContact O-N 2.96Å; E955-E958 PolarHBondContact O-N 3.07Å; E955-K959 WeakPolarHBondContact O-CB 3.42Å; E955-K959 WeakPolarHBondContact O-CG 3.41Å; E955-K959 PolarHBondContact O-N 2.67Å; E955-K959 IonicContact OE2-NZ 4Å
956Y96.5Very high92.3Very high30 Ų3048 Ų4812%0.11822%0.221CC..Hα-helixtrans-61.9-46.1174.1-68.6-42.9000112.1L803 L874 R952 F953 R954 E958 K959 A960L803-Y956 HydrophobicContact CD1-CD1 3.8Å; L803-Y956 HydrophobicContact CD1-CE1 4.2Å; L874-Y956 HydrophobicContact CD2-CD1 4.24Å; L874-Y956 HydrophobicContact CD2-CD2 3.88Å; L874-Y956 HydrophobicContact CD2-CE1 4Å; L874-Y956 HydrophobicContact CD2-CE2 3.61Å; L874-Y956 HydrophobicContact CD2-CG 4.2Å; L874-Y956 HydrophobicContact CG-CE2 4.45Å; R952-Y956 HydrophobicContact CG-CD2 4.38Å; R952-Y956 HydrophobicContact CG-CE2 3.71Å; R952-Y956 PolarHBondContact NE-OH 3.45Å; R952-Y956 PolarHBondContact NH2-OH 3.21Å; R952-Y956 VanDerWaalsContact O-CD2 3.22Å; R952-Y956 WeakPolarHBondContact O-CD2 3.48Å; R952-Y956 PolarHBondContact O-N 2.97Å; R952-Y956 VanDerWaalsContact O-N 3.07Å; F953-Y956 PolarHBondContact O-N 2.96Å; R954-Y956 VanDerWaalsContact C-N 3.28Å; R954-Y956 PolarHBondContact O-N 3.17Å; Y956-E958 PolarHBondContact O-N 3.36Å; Y956-K959 PolarHBondContact O-N 3.32Å; Y956-A960 WeakPolarHBondContact O-CB 3.47Å; Y956-A960 PolarHBondContact O-N 3.06Å
957C95.8Very high92.9Very high0 Ų049.3 Ų49.30%023%0.228CC..Hα-helixtrans-61.1-44.6176.5-61.80000111.7V881 F953 R954 A960 Y961 F1012 F1016V881-C957 HydrophobicContact CG2-CB 4Å; V881-C957 WeakPolarHBondContact CG2-O 3.33Å; F953-C957 PolarHBondContact O-N 2.94Å; F953-C957 VanDerWaalsContact O-N 3.13Å; F953-C957 PolarHBondContact O-SG 2.95Å; R954-C957 WeakPolarHBondContact O-CB 3.38Å; R954-C957 PolarHBondContact O-N 3.12Å; R954-C957 VanDerWaalsContact O-N 3.11Å; C957-A960 PolarHBondContact O-N 3.27Å; C957-Y961 WeakPolarHBondContact O-CB 3.5Å; C957-Y961 PolarHBondContact O-N 3.01Å; C957-F1012 HydrophobicContact CB-CE1 4.07Å; C957-F1012 HydrophobicContact CB-CZ 4.11Å; C957-F1016 HydrophobicContact CB-CE2 4.26Å
958E95.3Very high93.5Very high32 Ų3245.3 Ų45.315%0.1520%0.2CC..Hα-helixtrans-63-46.3179.5-72.3-176.7-158.800112.4R954 E955 Y956 K962 L1009 K1013R954-E958 WeakPolarHBondContact CD-OE1 3.4Å; R954-E958 HydrophobicContact CG-CG 4.36Å; R954-E958 WeakPolarHBondContact CG-OE1 3.46Å; R954-E958 WeakPolarHBondContact O-CG 3.48Å; R954-E958 PolarHBondContact O-N 3.3Å; E955-E958 PolarHBondContact O-N 3.07Å; Y956-E958 PolarHBondContact O-N 3.36Å; E958-K962 WeakPolarHBondContact O-CG 3.43Å; E958-K962 PolarHBondContact O-N 2.71Å; E958-K962 VanDerWaalsContact O-N 3.11Å; E958-L1009 HydrophobicContact CB-CD1 3.85Å; E958-L1009 HydrophobicContact CG-CD1 3.91Å; E958-K1013 WeakPolarHBondContact OE1-CE 3.32Å; E958-K1013 IonicContact OE1-NZ 2.77Å; E958-K1013 PolarHBondContact OE1-NZ 2.83Å; E958-K1013 WeakPolarHBondContact OE2-CE 3.28Å; E958-K1013 IonicContact OE2-NZ 3.05Å; E958-K1013 PolarHBondContact OE2-NZ 2.96Å
959K96.2Very high93.3Very high106 Ų10641.3 Ų41.346%0.46119%0.186SC..Hα-helixtrans-64.3-46.4176.9-73.7171.2-178.3162.80111.3L803 E955 Y956 Y961 K962 I963L803-K959 HydrophobicContact CD2-CB 4.15Å; E955-K959 WeakPolarHBondContact O-CB 3.42Å; E955-K959 WeakPolarHBondContact O-CG 3.41Å; E955-K959 PolarHBondContact O-N 2.67Å; E955-K959 IonicContact OE2-NZ 4Å; Y956-K959 PolarHBondContact O-N 3.32Å; K959-Y961 VanDerWaalsContact C-N 3.34Å; K959-Y961 PolarHBondContact O-N 2.82Å; K959-K962 PolarHBondContact O-N 2.9Å; K959-I963 WeakPolarHBondContact O-CG1 3.25Å; K959-I963 PolarHBondContact O-N 2.82Å; K959-I963 VanDerWaalsContact O-N 3.15Å
960A96.9Very high93.4Very high0 Ų039 Ų390%018%0.176CC..Hα-helixtrans-58.3-46.4178.500000111.8W798 L803 L805 V881 Y956 C957 I963 L964W798-A960 HydrophobicContact CZ2-CB 3.99Å; W798-A960 PolarHBondContact NE1-O 3.36Å; L803-A960 HydrophobicContact CD2-CB 4.03Å; L805-A960 HydrophobicContact CD1-CB 3.51Å; V881-A960 HydrophobicContact CB-CB 4.41Å; V881-A960 HydrophobicContact CG1-CB 4.34Å; V881-A960 HydrophobicContact CG2-CB 4.1Å; Y956-A960 WeakPolarHBondContact O-CB 3.47Å; Y956-A960 PolarHBondContact O-N 3.06Å; C957-A960 PolarHBondContact O-N 3.27Å; A960-I963 PolarHBondContact O-N 3.49Å; A960-L964 WeakPolarHBondContact O-CG 3.4Å; A960-L964 PolarHBondContact O-N 3.22Å
961Y96.2Very high93.5Very high3 Ų338.3 Ų38.31%0.01217%0.173CC..Hα-helixtrans-63.2-45.2179.2179.5-105.7000112.3V881 Y884 V885 C957 K959 I963 L964 C965 S998 A1008 F1012V881-Y961 HydrophobicContact CG1-CD2 4.41Å; Y884-Y961 HydrophobicContact CD1-CD2 4.34Å; Y884-Y961 HydrophobicContact CD1-CE2 4.13Å; Y884-Y961 HydrophobicContact CE1-CD2 4.26Å; Y884-Y961 AromaticContact CE1-CE2 3.65Å; Y884-Y961 HydrophobicContact CE1-CE2 3.65Å; V885-Y961 HydrophobicContact CG2-CD2 4.15Å; V885-Y961 HydrophobicContact CG2-CE2 4.2Å; C957-Y961 WeakPolarHBondContact O-CB 3.5Å; C957-Y961 PolarHBondContact O-N 3.01Å; K959-Y961 VanDerWaalsContact C-N 3.34Å; K959-Y961 PolarHBondContact O-N 2.82Å; Y961-I963 VanDerWaalsContact C-N 3.31Å; Y961-I963 PolarHBondContact O-N 2.88Å; Y961-L964 PolarHBondContact O-N 3.14Å; Y961-L964 VanDerWaalsContact O-N 3.1Å; Y961-C965 WeakPolarHBondContact CE1-SG 3.22Å; Y961-C965 PolarHBondContact O-N 3.46Å; Y961-C965 PolarHBondContact O-SG 3.38Å; Y961-C965 VanDerWaalsContact O-SG 3.42Å; Y961-S998 WeakPolarHBondContact CE2-O 3.4Å; Y961-S998 PolarHBondContact OH-O 3.04Å; Y961-A1008 HydrophobicContact CE1-CB 4.23Å; Y961-A1008 WeakPolarHBondContact CE1-O 3.2Å; Y961-F1012 HydrophobicContact CD1-CB 3.64Å; Y961-F1012 HydrophobicContact CD1-CD1 4.11Å; Y961-F1012 HydrophobicContact CD1-CD2 4.08Å; Y961-F1012 AromaticContact CD1-CG 3.67Å; Y961-F1012 HydrophobicContact CD1-CG 3.67Å; Y961-F1012 AromaticContact CD2-CD2 3.79Å; Y961-F1012 HydrophobicContact CD2-CD2 3.79Å; Y961-F1012 HydrophobicContact CD2-CE2 4.14Å; Y961-F1012 HydrophobicContact CD2-CG 4.25Å; Y961-F1012 HydrophobicContact CE1-CB 3.51Å; Y961-F1012 HydrophobicContact CE1-CD2 4.34Å; Y961-F1012 AromaticContact CE1-CG 4Å; Y961-F1012 HydrophobicContact CE1-CG 4Å; Y961-F1012 HydrophobicContact CE2-CD2 4.07Å; Y961-F1012 HydrophobicContact CG-CB 4.25Å; Y961-F1012 HydrophobicContact CG-CD1 4.19Å; Y961-F1012 AromaticContact CG-CD2 3.8Å; Y961-F1012 HydrophobicContact CG-CD2 3.8Å; Y961-F1012 HydrophobicContact CG-CE2 4.19Å; Y961-F1012 AromaticContact CG-CG 3.8Å; Y961-F1012 HydrophobicContact CG-CG 3.8Å
962K95.3Very high93.4Very high44 Ų4435.4 Ų35.419%0.19116%0.16CC..Hα-helixtrans-55.7-43.9175.7-77.8171.4165-112.70112.7E958 K959 L964 C965 R966 E1005 L1009E958-K962 WeakPolarHBondContact O-CG 3.43Å; E958-K962 PolarHBondContact O-N 2.71Å; E958-K962 VanDerWaalsContact O-N 3.11Å; K959-K962 PolarHBondContact O-N 2.9Å; K962-L964 VanDerWaalsContact C-N 3.3Å; K962-L964 PolarHBondContact O-N 2.85Å; K962-C965 PolarHBondContact O-N 2.81Å; K962-R966 WeakPolarHBondContact O-CG 3.36Å; K962-R966 PolarHBondContact O-N 3.16Å; K962-R966 VanDerWaalsContact O-N 3.16Å; K962-E1005 HydrophobicContact CB-CG 4.45Å; K962-E1005 VanDerWaalsContact CD-OE1 3.27Å; K962-E1005 WeakPolarHBondContact CD-OE1 3.24Å; K962-E1005 WeakPolarHBondContact CE-OE1 3.27Å; K962-E1005 HydrophobicContact CG-CG 3.98Å; K962-E1005 WeakPolarHBondContact CG-OE1 3.41Å; K962-E1005 IonicContact NZ-OE1 2.71Å; K962-E1005 PolarHBondContact NZ-OE1 2.92Å; K962-L1009 HydrophobicContact CD-CD1 4.37Å; K962-L1009 HydrophobicContact CG-CD1 4.23Å
963I95.6Very high93.2Very high12 Ų1232.9 Ų32.96%0.06215%0.152CC..Hα-helixtrans-61.4-41.4178.4-65.9163000110.5L797 E801 L803 K959 A960 Y961 N967L797-I963 HydrophobicContact CB-CG2 4.17Å; E801-I963 HydrophobicContact CB-CD1 3.71Å; E801-I963 HydrophobicContact CB-CG1 4.27Å; E801-I963 HydrophobicContact CG-CD1 4.08Å; E801-I963 HydrophobicContact CG-CG1 4.1Å; E801-I963 HydrophobicContact CG-CG2 4.11Å; L803-I963 HydrophobicContact CB-CD1 4.45Å; L803-I963 HydrophobicContact CD2-CD1 4.08Å; K959-I963 WeakPolarHBondContact O-CG1 3.25Å; K959-I963 PolarHBondContact O-N 2.82Å; K959-I963 VanDerWaalsContact O-N 3.15Å; A960-I963 PolarHBondContact O-N 3.49Å; Y961-I963 VanDerWaalsContact C-N 3.31Å; Y961-I963 PolarHBondContact O-N 2.88Å; I963-N967 PolarHBondContact O-N 2.87Å; I963-N967 PolarHBondContact O-ND2 3.01Å
964L95.3Very high93.1Very high0 Ų032.9 Ų32.90%015%0.152CC..Hα-helixtrans-67.7-40.2177.2-61.5-168.5000112.3M794 L797 W798 V881 V885 A960 Y961 K962 R966 N967 G968 F971 L999M794-L964 HydrophobicContact CB-CD2 3.99Å; M794-L964 HydrophobicContact CE-CD1 3.88Å; M794-L964 HydrophobicContact CG-CD1 3.96Å; M794-L964 HydrophobicContact CG-CD2 3.69Å; M794-L964 HydrophobicContact CG-CG 4.5Å; M794-L964 HydrophobicContact SD-CD1 3.79Å; L797-L964 HydrophobicContact CD1-CD2 4.47Å; W798-L964 HydrophobicContact CZ2-CD1 3.76Å; W798-L964 HydrophobicContact CZ2-CD2 4.13Å; W798-L964 HydrophobicContact CZ2-CG 4.01Å; V881-L964 HydrophobicContact CG1-CD1 3.88Å; V885-L964 HydrophobicContact CB-CD1 4.46Å; V885-L964 HydrophobicContact CG2-CD1 4.02Å; A960-L964 WeakPolarHBondContact O-CG 3.4Å; A960-L964 PolarHBondContact O-N 3.22Å; Y961-L964 PolarHBondContact O-N 3.14Å; Y961-L964 VanDerWaalsContact O-N 3.1Å; K962-L964 VanDerWaalsContact C-N 3.3Å; K962-L964 PolarHBondContact O-N 2.85Å; L964-R966 VanDerWaalsContact C-N 3.33Å; L964-R966 PolarHBondContact O-N 2.84Å; L964-N967 CarbonylContact O-C 3.59Å; L964-N967 PolarHBondContact O-N 2.95Å; L964-G968 PolarHBondContact O-N 3.08Å; L964-F971 HydrophobicContact CD2-CE2 3.96Å; L964-F971 HydrophobicContact CD2-CZ 3.94Å; L964-L999 HydrophobicContact CB-CD2 3.91Å
965C92.4Very high93.1Very high21 Ų2130.5 Ų30.514%0.14214%0.143CC..Hα-helixtrans-58.7-41.9176.9-70.90000112.3Y961 K962 N967 G968 L999Y961-C965 WeakPolarHBondContact CE1-SG 3.22Å; Y961-C965 PolarHBondContact O-N 3.46Å; Y961-C965 PolarHBondContact O-SG 3.38Å; Y961-C965 VanDerWaalsContact O-SG 3.42Å; K962-C965 PolarHBondContact O-N 2.81Å; C965-N967 PolarHBondContact O-N 3.23Å; C965-G968 PolarHBondContact O-N 2.94Å; C965-L999 PolarHBondContact SG-O 3.49Å
966R89.9Confident92.8Very high142 Ų14226.9 Ų26.954%0.53613%0.129SC..Hα-helixtrans-61.5-29.6175.9-67.9174.7-170.2161.84.2113K962 L964 E1005K962-R966 WeakPolarHBondContact O-CG 3.36Å; K962-R966 PolarHBondContact O-N 3.16Å; K962-R966 VanDerWaalsContact O-N 3.16Å; L964-R966 VanDerWaalsContact C-N 3.33Å; L964-R966 PolarHBondContact O-N 2.84Å; R966-E1005 IonicContact CZ-OE2 3.39Å; R966-E1005 VanDerWaalsContact CZ-OE2 3.25Å; R966-E1005 IonicContact NE-OE2 3.73Å; R966-E1005 PolarHBondContact NE-OE2 2.86Å; R966-E1005 VanDerWaalsContact NH2-CD 3.34Å; R966-E1005 IonicContact NH2-OE1 3.43Å; R966-E1005 PolarHBondContact NH2-OE1 2.92Å; R966-E1005 IonicContact NH2-OE2 3.47Å; R966-E1005 PolarHBondContact NH2-OE2 3.18Å
967N91.3Very high92.6Very high49 Ų4925.5 Ų25.526%0.26212%0.124SC..THydrogen-bonded Turntrans-102.912.5-178.9-67.3-81000112.7L797 I963 L964 C965 T969 L970 F971L797-N967 HydrophobicContact CD1-CB 3.81Å; I963-N967 PolarHBondContact O-N 2.87Å; I963-N967 PolarHBondContact O-ND2 3.01Å; L964-N967 CarbonylContact O-C 3.59Å; L964-N967 PolarHBondContact O-N 2.95Å; C965-N967 PolarHBondContact O-N 3.23Å; N967-T969 VanDerWaalsContact C-N 3.31Å; N967-T969 PolarHBondContact O-N 3.49Å; N967-L970 WeakPolarHBondContact O-CB 3.18Å; N967-L970 PolarHBondContact O-N 2.81Å; N967-L970 VanDerWaalsContact O-N 3.07Å; N967-F971 HydrophobicContact CB-CE2 4.35Å; N967-F971 WeakPolarHBondContact O-CD2 3.45Å
968G89.6Confident92.5Very high0 Ų025.7 Ų25.70%013%0.125CC..Hα-helixtrans-65.2-30.6-168.100000114.6L964 C965 L970 F971 V972L964-G968 PolarHBondContact O-N 3.08Å; C965-G968 PolarHBondContact O-N 2.94Å; G968-L970 VanDerWaalsContact C-N 3.29Å; G968-L970 PolarHBondContact O-N 2.79Å; G968-F971 PolarHBondContact O-N 3.11Å; G968-V972 PolarHBondContact O-N 2.94Å
969T86.4Confident92.1Very high66 Ų6626.5 Ų26.541%0.40513%0.128SC..Hα-helixtrans-59.4-38.8173.5-53.90000112.1N967 F971 V972 N973N967-T969 VanDerWaalsContact C-N 3.31Å; N967-T969 PolarHBondContact O-N 3.49Å; T969-F971 PolarHBondContact O-N 2.88Å; T969-V972 PolarHBondContact O-N 2.97Å; T969-N973 WeakPolarHBondContact O-CB 3.33Å; T969-N973 VanDerWaalsContact O-CG 3.24Å; T969-N973 PolarHBondContact O-N 3.15Å; T969-N973 PolarHBondContact O-OD1 3.43Å
970L90.5Very high91.7Very high9 Ų922.3 Ų22.35%0.04711%0.113CC..Hα-helixtrans-61.2-46.6176.416964000110.9I579 L582 Y613 L793 N967 G968 V972 N973 L974I579-L970 HydrophobicContact CG1-CD1 4.5Å; I579-L970 HydrophobicContact CG2-CB 4.15Å; I579-L970 HydrophobicContact CG2-CD1 3.7Å; I579-L970 HydrophobicContact CG2-CG 4.32Å; L582-L970 HydrophobicContact CD1-CD1 4.44Å; Y613-L970 HydrophobicContact CE1-CD1 4.16Å; L793-L970 HydrophobicContact CD1-CD2 4.2Å; L793-L970 HydrophobicContact CD2-CD2 3.88Å; L793-L970 HydrophobicContact CD2-CG 4.22Å; N967-L970 WeakPolarHBondContact O-CB 3.18Å; N967-L970 PolarHBondContact O-N 2.81Å; N967-L970 VanDerWaalsContact O-N 3.07Å; G968-L970 VanDerWaalsContact C-N 3.29Å; G968-L970 PolarHBondContact O-N 2.79Å; L970-V972 PolarHBondContact O-N 3.25Å; L970-N973 PolarHBondContact O-N 3.36Å; L970-L974 HydrophobicContact CD1-CD1 3.8Å; L970-L974 HydrophobicContact CD1-CD2 4.37Å; L970-L974 HydrophobicContact CD1-CG 3.89Å; L970-L974 HydrophobicContact CG-CD1 4.02Å; L970-L974 HydrophobicContact CG-CG 4.46Å; L970-L974 VanDerWaalsContact O-CG 3.26Å; L970-L974 WeakPolarHBondContact O-CG 3.39Å; L970-L974 PolarHBondContact O-N 3.02Å
971F92.5Very high91.4Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-62.5-44.2178-68.6-81.6000111.2M790 L793 M794 L797 L964 N967 G968 T969 N973 L974 F975 L995 L999M790-F971 HydrophobicContact SD-CD1 3.84Å; M790-F971 HydrophobicContact SD-CE1 4.21Å; L793-F971 HydrophobicContact CB-CE1 4.47Å; L793-F971 HydrophobicContact CD2-CD1 4.26Å; L793-F971 HydrophobicContact CD2-CE1 3.79Å; L793-F971 HydrophobicContact CD2-CZ 4.1Å; L793-F971 HydrophobicContact CG-CE1 4.15Å; L793-F971 HydrophobicContact CG-CZ 4.14Å; M794-F971 HydrophobicContact CE-CD1 4.33Å; M794-F971 HydrophobicContact CE-CE1 3.79Å; M794-F971 HydrophobicContact CE-CZ 4.13Å; M794-F971 HydrophobicContact CG-CE1 3.77Å; M794-F971 HydrophobicContact CG-CZ 3.56Å; L797-F971 HydrophobicContact CD1-CE2 3.85Å; L797-F971 HydrophobicContact CD1-CZ 3.88Å; L964-F971 HydrophobicContact CD2-CE2 3.96Å; L964-F971 HydrophobicContact CD2-CZ 3.94Å; N967-F971 HydrophobicContact CB-CE2 4.35Å; N967-F971 WeakPolarHBondContact O-CD2 3.45Å; G968-F971 PolarHBondContact O-N 3.11Å; T969-F971 PolarHBondContact O-N 2.88Å; F971-N973 VanDerWaalsContact C-N 3.35Å; F971-N973 PolarHBondContact O-N 3.21Å; F971-L974 PolarHBondContact O-N 3.29Å; F971-F975 WeakPolarHBondContact O-CD2 3.1Å; F971-F975 PolarHBondContact O-N 3.15Å; F971-L995 HydrophobicContact CB-CD2 3.89Å; F971-L999 HydrophobicContact CB-CD1 4.49Å
972V89.4Confident90.9Very high13 Ų1325 Ų258%0.07914%0.142CC..Hα-helixtrans-58.2-46.5176.5169.90000111.7G968 T969 L970 F975 A976 I992 L995 K996 L1001G968-V972 PolarHBondContact O-N 2.94Å; T969-V972 PolarHBondContact O-N 2.97Å; L970-V972 PolarHBondContact O-N 3.25Å; V972-F975 PolarHBondContact O-N 3.06Å; V972-A976 WeakPolarHBondContact O-CB 3.37Å; V972-A976 PolarHBondContact O-N 3.3Å; V972-I992 HydrophobicContact CG1-CG2 3.84Å; V972-L995 HydrophobicContact CG2-CD2 4.17Å; V972-L995 HydrophobicContact CG2-CG 4.4Å; V972-K996 HydrophobicContact CG2-CG 3.9Å; V972-L1001 HydrophobicContact CG2-CD1 3.55Å
973N89.1Confident90.6Very high16 Ų1623 Ų239%0.08613%0.133CC..Hα-helixtrans-65.1-42.9-179.4-69.3-2.1000111.4E583 T969 L970 F971 F975 A976 M977E583-N973 PolarHBondContact OE2-ND2 3.14Å; T969-N973 WeakPolarHBondContact O-CB 3.33Å; T969-N973 VanDerWaalsContact O-CG 3.24Å; T969-N973 PolarHBondContact O-N 3.15Å; T969-N973 PolarHBondContact O-OD1 3.43Å; L970-N973 PolarHBondContact O-N 3.36Å; F971-N973 VanDerWaalsContact C-N 3.35Å; F971-N973 PolarHBondContact O-N 3.21Å; N973-F975 VanDerWaalsContact C-N 3.33Å; N973-F975 PolarHBondContact O-N 3.19Å; N973-A976 PolarHBondContact O-N 2.94Å; N973-M977 WeakPolarHBondContact O-CG 3.25Å; N973-M977 PolarHBondContact O-N 3.34Å
974L92.9Very high89.8Confident0 Ų027.5 Ų27.50%016%0.163CC..Hα-helixtrans-62.5-38.9176.6-67.7173.8000112.3L582 Y613 Q616 M790 L793 L970 F971 M978L582-L974 HydrophobicContact CD1-CD2 4.3Å; Y613-L974 HydrophobicContact CD1-CD1 4.1Å; Y613-L974 HydrophobicContact CD1-CD2 3.62Å; Y613-L974 HydrophobicContact CE1-CD1 4.09Å; Y613-L974 HydrophobicContact CE1-CD2 4.26Å; Y613-L974 HydrophobicContact CG-CD2 4.23Å; Q616-L974 HydrophobicContact CB-CD2 4.38Å; Q616-L974 HydrophobicContact CG-CB 4.2Å; Q616-L974 HydrophobicContact CG-CD2 3.79Å; Q616-L974 WeakPolarHBondContact CG-O 3.38Å; M790-L974 HydrophobicContact CE-CB 3.75Å; M790-L974 HydrophobicContact CE-CD1 3.91Å; M790-L974 HydrophobicContact CE-CG 4.44Å; M790-L974 HydrophobicContact SD-CD1 4.11Å; L793-L974 HydrophobicContact CD2-CD1 3.53Å; L970-L974 HydrophobicContact CD1-CD1 3.8Å; L970-L974 HydrophobicContact CD1-CD2 4.37Å; L970-L974 HydrophobicContact CD1-CG 3.89Å; L970-L974 HydrophobicContact CG-CD1 4.02Å; L970-L974 HydrophobicContact CG-CG 4.46Å; L970-L974 VanDerWaalsContact O-CG 3.26Å; L970-L974 WeakPolarHBondContact O-CG 3.39Å; L970-L974 PolarHBondContact O-N 3.02Å; F971-L974 PolarHBondContact O-N 3.29Å; L974-M978 VanDerWaalsContact O-CG 3.3Å; L974-M978 WeakPolarHBondContact O-CG 3.21Å; L974-M978 PolarHBondContact O-N 2.97Å
975F92.6Very high89.3Confident1 Ų128.7 Ų28.70%0.00417%0.168CC..Hα-helixtrans-71.7-36.8175-85.9-106.3000112.5M790 L886 F912 L913 F971 V972 N973 M977 M978 K979 L986 L995M790-F975 HydrophobicContact CE-CD2 4.39Å; M790-F975 HydrophobicContact CE-CE2 4.21Å; M790-F975 HydrophobicContact CG-CE2 3.61Å; M790-F975 HydrophobicContact CG-CZ 4.05Å; M790-F975 HydrophobicContact SD-CD2 4.29Å; M790-F975 HydrophobicContact SD-CE2 3.76Å; L886-F975 HydrophobicContact CD2-CE2 4.07Å; L886-F975 HydrophobicContact CD2-CZ 3.81Å; F912-F975 AromaticContact CD2-CE1 3.61Å; F912-F975 HydrophobicContact CD2-CE1 3.61Å; F912-F975 HydrophobicContact CD2-CZ 4.15Å; F912-F975 HydrophobicContact CE2-CD1 4.06Å; F912-F975 AromaticContact CE2-CE1 3.27Å; F912-F975 HydrophobicContact CE2-CE1 3.27Å; F912-F975 HydrophobicContact CE2-CZ 4.06Å; F912-F975 HydrophobicContact CZ-CE1 4.37Å; L913-F975 HydrophobicContact CD1-CD1 3.85Å; L913-F975 HydrophobicContact CD1-CE1 3.87Å; L913-F975 HydrophobicContact CD2-CD1 4.1Å; L913-F975 HydrophobicContact CD2-CE1 3.69Å; L913-F975 HydrophobicContact CD2-CZ 4.44Å; L913-F975 HydrophobicContact CG-CD1 4.41Å; L913-F975 HydrophobicContact CG-CE1 3.99Å; F971-F975 WeakPolarHBondContact O-CD2 3.1Å; F971-F975 PolarHBondContact O-N 3.15Å; V972-F975 PolarHBondContact O-N 3.06Å; N973-F975 VanDerWaalsContact C-N 3.33Å; N973-F975 PolarHBondContact O-N 3.19Å; F975-M977 VanDerWaalsContact C-N 3.35Å; F975-M977 PolarHBondContact O-N 3.44Å; F975-M978 PolarHBondContact O-N 2.68Å; F975-M978 VanDerWaalsContact O-N 3.09Å; F975-K979 PolarHBondContact O-N 3.15Å; F975-L986 HydrophobicContact CD1-CD1 4.3Å; F975-L986 HydrophobicContact CD1-CD2 4.03Å; F975-L995 HydrophobicContact CB-CD2 4.37Å; F975-L995 HydrophobicContact CD2-CD2 3.76Å; F975-L995 HydrophobicContact CE2-CD2 4.14Å; F975-L995 HydrophobicContact CG-CD2 4.03Å
976A89.1Confident88.9Confident20 Ų2027.7 Ų27.717%0.16516%0.161CC..Hα-helixtrans-59-45.817500000111.8V972 N973 M978 K979 I992V972-A976 WeakPolarHBondContact O-CB 3.37Å; V972-A976 PolarHBondContact O-N 3.3Å; N973-A976 PolarHBondContact O-N 2.94Å; A976-M978 PolarHBondContact O-N 3.12Å; A976-K979 WeakPolarHBondContact O-CB 3.32Å; A976-K979 WeakPolarHBondContact O-CG 3.41Å; A976-K979 PolarHBondContact O-N 3.08Å; A976-K979 VanDerWaalsContact O-N 3.15Å; A976-I992 HydrophobicContact CB-CD1 3.98Å
977M91.5Very high88.2Confident2 Ų223.7 Ų23.71%0.0116%0.155CC..Hα-helixtrans-60.2-31.4174.9-67.9174.577.100112.8L582 L585 Q616 L617 V620 N973 F975 K979L582-M977 HydrophobicContact CB-SD 4.15Å; L582-M977 HydrophobicContact CD2-CE 4.38Å; L582-M977 HydrophobicContact CD2-SD 4.47Å; L585-M977 HydrophobicContact CB-CE 4.19Å; L585-M977 HydrophobicContact CD1-CE 4.01Å; Q616-M977 HydrophobicContact CB-CB 3.95Å; Q616-M977 HydrophobicContact CB-CE 3.71Å; Q616-M977 HydrophobicContact CB-SD 3.9Å; Q616-M977 HydrophobicContact CG-CB 4.12Å; Q616-M977 HydrophobicContact CG-SD 4.47Å; L617-M977 HydrophobicContact CD2-CE 4.1Å; V620-M977 HydrophobicContact CB-CE 4.34Å; V620-M977 HydrophobicContact CG1-CB 3.74Å; V620-M977 HydrophobicContact CG1-CE 3.56Å; V620-M977 HydrophobicContact CG1-CG 3.8Å; V620-M977 HydrophobicContact CG2-CE 3.78Å; N973-M977 WeakPolarHBondContact O-CG 3.25Å; N973-M977 PolarHBondContact O-N 3.34Å; F975-M977 VanDerWaalsContact C-N 3.35Å; F975-M977 PolarHBondContact O-N 3.44Å; M977-K979 VanDerWaalsContact C-N 3.29Å; M977-K979 PolarHBondContact O-N 3.35Å
978M93.5Very high87.4Confident4 Ų421.9 Ų21.92%0.0215%0.147CC..Hα-helixtrans-76.8-7.9179.9-70.8-58.6-63.600114.4I615 Q616 Q619 L786 L974 F975 A976 A980 A981 L983 L986I615-M978 HydrophobicContact CG2-CE 3.74Å; I615-M978 HydrophobicContact CG2-SD 3.72Å; Q616-M978 HydrophobicContact CG-CG 3.94Å; Q616-M978 HydrophobicContact CG-SD 3.93Å; Q619-M978 HydrophobicContact CB-SD 4.31Å; Q619-M978 HydrophobicContact CG-CE 3.88Å; Q619-M978 HydrophobicContact CG-SD 3.54Å; Q619-M978 VanDerWaalsContact CG-SD 3.54Å; L786-M978 HydrophobicContact CD1-CE 4.28Å; L786-M978 HydrophobicContact CD1-CG 3.73Å; L786-M978 HydrophobicContact CD1-SD 4.3Å; L786-M978 HydrophobicContact CD2-CB 4.13Å; L786-M978 HydrophobicContact CD2-CE 4.17Å; L786-M978 HydrophobicContact CD2-CG 3.94Å; L786-M978 HydrophobicContact CG-CG 4.5Å; L974-M978 VanDerWaalsContact O-CG 3.3Å; L974-M978 WeakPolarHBondContact O-CG 3.21Å; L974-M978 PolarHBondContact O-N 2.97Å; F975-M978 PolarHBondContact O-N 2.68Å; F975-M978 VanDerWaalsContact O-N 3.09Å; A976-M978 PolarHBondContact O-N 3.12Å; M978-A980 PolarHBondContact O-N 3.21Å; M978-A981 HydrophobicContact CE-CB 3.83Å; M978-A981 WeakPolarHBondContact O-CB 3.21Å; M978-A981 PolarHBondContact O-N 2.95Å; M978-L983 HydrophobicContact CE-CD1 4.37Å; M978-L986 HydrophobicContact CB-CD2 3.52Å
979K88.8Confident86.7Confident49 Ų4926 Ų2621%0.21318%0.176CC..G310 helixtrans-55.8-33170.8-72.317662.7-1670112F975 A976 M977 A981 G982 L986 I992F975-K979 PolarHBondContact O-N 3.15Å; A976-K979 WeakPolarHBondContact O-CB 3.32Å; A976-K979 WeakPolarHBondContact O-CG 3.41Å; A976-K979 PolarHBondContact O-N 3.08Å; A976-K979 VanDerWaalsContact O-N 3.15Å; M977-K979 VanDerWaalsContact C-N 3.29Å; M977-K979 PolarHBondContact O-N 3.35Å; K979-A981 PolarHBondContact O-N 3.5Å; K979-G982 PolarHBondContact O-N 2.96Å; K979-L986 HydrophobicContact CG-CG 4.48Å; K979-I992 HydrophobicContact CD-CD1 3.78Å; K979-I992 HydrophobicContact CG-CD1 4.18Å
980A87.5Confident86.2Confident18 Ų1830.9 Ų30.915%0.14919%0.191CC..G310 helixtrans-62.5-19.617600000113.9Q619 K622 Y623 M978 G982Q619-A980 HydrophobicContact CB-CB 4.15Å; Q619-A980 WeakPolarHBondContact O-CB 3.3Å; K622-A980 HydrophobicContact CB-CB 4.3Å; K622-A980 HydrophobicContact CD-CB 4.17Å; K622-A980 WeakPolarHBondContact CD-O 3.33Å; K622-A980 PolarHBondContact NZ-O 2.94Å; K622-A980 VanDerWaalsContact NZ-O 3.16Å; Y623-A980 HydrophobicContact CD1-CB 4.43Å; Y623-A980 HydrophobicContact CE1-CB 3.76Å; Y623-A980 HydrophobicContact CE2-CB 4.03Å; Y623-A980 PolarHBondContact OH-N 3.48Å; M978-A980 PolarHBondContact O-N 3.21Å; A980-G982 PolarHBondContact O-N 3.35Å
981A90Very high85.8Confident6 Ų631.4 Ų31.45%0.0519%0.194CC..G310 helixtrans-70.9-20.2178.700000113.4Q619 R782 M978 K979 L983Q619-A981 HydrophobicContact CG-CB 4.09Å; R782-A981 PolarHBondContact NH1-O 3.37Å; M978-A981 HydrophobicContact CE-CB 3.83Å; M978-A981 WeakPolarHBondContact O-CB 3.21Å; M978-A981 PolarHBondContact O-N 2.95Å; K979-A981 PolarHBondContact O-N 3.5Å; A981-L983 VanDerWaalsContact C-N 3.32Å; A981-L983 HydrophobicContact CB-CD1 4.47Å; A981-L983 HydrophobicContact CB-CG 3.96Å
982G86.2Confident85.4Confident54 Ų5432.1 Ų32.156%0.55720%0.198SC*.  trans63.439-17500000112K979 A980K979-G982 PolarHBondContact O-N 2.96Å; A980-G982 PolarHBondContact O-N 3.35Å
983L88.3Confident85.2Confident2 Ų234.8 Ų34.81%0.0121%0.209CC..BIsolated β-bridgetrans-71.7134.2173-63.8176.4000108.8R782 L786 F912 M978 A981 E985 L986R782-L983 HydrophobicContact CB-CD2 3.76Å; L786-L983 HydrophobicContact CD2-CD1 3.91Å; F912-L983 HydrophobicContact CZ-CD1 4.33Å; M978-L983 HydrophobicContact CE-CD1 4.37Å; A981-L983 VanDerWaalsContact C-N 3.32Å; A981-L983 HydrophobicContact CB-CD1 4.47Å; A981-L983 HydrophobicContact CB-CG 3.96Å; L983-E985 PolarHBondContact O-N 3.21Å; L983-E985 VanDerWaalsContact O-N 3.12Å; L983-L986 HydrophobicContact CB-CB 4.22Å; L983-L986 CarbonylContact O-C 3.5Å; L983-L986 PolarHBondContact O-N 3Å
984P79.9Confident85.2Confident105 Ų10536.7 Ų36.768%0.68222%0.216SC*.THydrogen-bonded Turntrans-56.6-32.7-175.8-27.234.7000114.4
985E83.3Confident84.9Confident25 Ų2536.7 Ų36.712%0.11722%0.216CC..THydrogen-bonded Turntrans-98.89.7-176.7-69.6-176.5-173.700113.6Q783 H911 F912 N915 L983Q783-E985 PolarHBondContact NE2-OE2 3.01Å; H911-E985 WeakPolarHBondContact CA-OE2 3.33Å; H911-E985 IonicContact CE1-OE1 2.79Å; H911-E985 PolarHBondContact CE1-OE1 3.16Å; H911-E985 IonicContact CG-OE1 3.89Å; H911-E985 IonicContact ND1-OE1 2.79Å; H911-E985 PolarHBondContact ND1-OE1 3.33Å; F912-E985 HydrophobicContact CD1-CB 3.83Å; F912-E985 WeakPolarHBondContact CD1-OE2 3.07Å; F912-E985 HydrophobicContact CE1-CB 3.63Å; F912-E985 PolarHBondContact N-OE2 3.33Å; N915-E985 HydrophobicContact CB-CB 4.37Å; N915-E985 HydrophobicContact CB-CG 3.84Å; N915-E985 WeakPolarHBondContact ND2-CB 3.22Å; N915-E985 PolarHBondContact ND2-O 2.89Å; L983-E985 PolarHBondContact O-N 3.21Å; L983-E985 VanDerWaalsContact O-N 3.12Å
986L85.2Confident84.8Confident0 Ų039.6 Ų39.60%023%0.228CC..BIsolated β-bridgetrans-142.270.5174.8-178.159.6000109.4L786 F912 L913 F975 M978 K979 L983 D991 I992L786-L986 HydrophobicContact CD2-CD2 4.21Å; F912-L986 HydrophobicContact CE1-CB 4.43Å; F912-L986 HydrophobicContact CZ-CB 3.96Å; F912-L986 HydrophobicContact CZ-CD2 4.27Å; L913-L986 HydrophobicContact CD1-CB 4.48Å; L913-L986 HydrophobicContact CD1-CD1 3.78Å; F975-L986 HydrophobicContact CD1-CD1 4.3Å; F975-L986 HydrophobicContact CD1-CD2 4.03Å; M978-L986 HydrophobicContact CB-CD2 3.52Å; K979-L986 HydrophobicContact CG-CG 4.48Å; L983-L986 HydrophobicContact CB-CB 4.22Å; L983-L986 CarbonylContact O-C 3.5Å; L983-L986 PolarHBondContact O-N 3Å; L986-D991 HydrophobicContact CD1-CB 4.18Å; L986-I992 HydrophobicContact CD1-CG1 3.89Å
987S74.8Confident84.7Confident58 Ų5843.6 Ų43.641%0.40625%0.247SC..  trans-113.2-16.8-176.565.20000112.6D991S987-D991 PolarHBondContact N-OD2 3.24Å
988S74.1Confident84.6Confident12 Ų1243.8 Ų43.88%0.08425%0.248CC..SBendtrans-136.9162.1-168760000114.1K990 D991S988-K990 PolarHBondContact O-N 3.47Å; S988-K990 WeakPolarHBondContact OG-CB 3.4Å; S988-K990 PolarHBondContact OG-N 3.33Å; S988-D991 WeakPolarHBondContact CB-OD2 3.34Å; S988-D991 PolarHBondContact N-OD2 3.03Å; S988-D991 PolarHBondContact O-N 2.91Å; S988-D991 VanDerWaalsContact OG-CG 3.23Å; S988-D991 PolarHBondContact OG-N 3.48Å; S988-D991 PolarHBondContact OG-OD2 3.14Å
989S76.2Confident84.4Confident87 Ų8743.7 Ų43.761%0.60825%0.248SC*.Hα-helixtrans-61.5-26.8169.246.10000112.4D991 I992 Q993S989-D991 VanDerWaalsContact C-N 3.35Å; S989-I992 PolarHBondContact O-N 3.48Å; S989-Q993 PolarHBondContact O-N 2.92Å
990K75.9Confident84.3Confident167 Ų16741.8 Ų41.873%0.72624%0.241SC*.Hα-helixtrans-66.1-36.5176.5-172.9-177.4177.3-1760112.2S988 I992 Q993 Y994S988-K990 PolarHBondContact O-N 3.47Å; S988-K990 WeakPolarHBondContact OG-CB 3.4Å; S988-K990 PolarHBondContact OG-N 3.33Å; K990-I992 VanDerWaalsContact C-N 3.3Å; K990-I992 PolarHBondContact O-N 2.89Å; K990-Q993 VanDerWaalsContact O-CB 3.3Å; K990-Q993 WeakPolarHBondContact O-CB 3.47Å; K990-Q993 PolarHBondContact O-N 3.19Å; K990-Q993 VanDerWaalsContact O-N 3.16Å; K990-Y994 PolarHBondContact O-N 3.46Å
991D81.4Confident84.1Confident21 Ų2142.4 Ų42.411%0.11224%0.242CC..Hα-helixtrans-65-39.6177.1-52.3-45.2000110.4L913 L986 S987 S988 S989 Q993 Y994L913-D991 HydrophobicContact CD1-CB 3.99Å; L986-D991 HydrophobicContact CD1-CB 4.18Å; S987-D991 PolarHBondContact N-OD2 3.24Å; S988-D991 WeakPolarHBondContact CB-OD2 3.34Å; S988-D991 PolarHBondContact N-OD2 3.03Å; S988-D991 PolarHBondContact O-N 2.91Å; S988-D991 VanDerWaalsContact OG-CG 3.23Å; S988-D991 PolarHBondContact OG-N 3.48Å; S988-D991 PolarHBondContact OG-OD2 3.14Å; S989-D991 VanDerWaalsContact C-N 3.35Å; D991-Q993 VanDerWaalsContact C-N 3.32Å; D991-Y994 WeakPolarHBondContact O-CB 3.45Å; D991-Y994 PolarHBondContact O-N 3.36Å
992I84.4Confident83.3Confident14 Ų1444.2 Ų44.27%0.07226%0.261CS..Hα-helixtrans-69.4-31.9174.8-59.1172.7000111.3V972 A976 K979 L986 S989 K990 Y994 L995 K996V972-I992 HydrophobicContact CG1-CG2 3.84Å; A976-I992 HydrophobicContact CB-CD1 3.98Å; K979-I992 HydrophobicContact CD-CD1 3.78Å; K979-I992 HydrophobicContact CG-CD1 4.18Å; L986-I992 HydrophobicContact CD1-CG1 3.89Å; S989-I992 PolarHBondContact O-N 3.48Å; K990-I992 VanDerWaalsContact C-N 3.3Å; K990-I992 PolarHBondContact O-N 2.89Å; I992-Y994 PolarHBondContact O-N 3.32Å; I992-L995 WeakPolarHBondContact O-CB 3.45Å; I992-L995 PolarHBondContact O-N 2.88Å; I992-K996 PolarHBondContact O-N 3.17Å
993Q85.2Confident83Confident69 Ų6947.1 Ų47.132%0.32226%0.259SS..Hα-helixtrans-59.1-35.7178-170.260.644.400111.9S989 K990 D991 L995 K996 D997S989-Q993 PolarHBondContact O-N 2.92Å; K990-Q993 VanDerWaalsContact O-CB 3.3Å; K990-Q993 WeakPolarHBondContact O-CB 3.47Å; K990-Q993 PolarHBondContact O-N 3.19Å; K990-Q993 VanDerWaalsContact O-N 3.16Å; D991-Q993 VanDerWaalsContact C-N 3.32Å; Q993-L995 PolarHBondContact O-N 3.33Å; Q993-K996 WeakPolarHBondContact O-CB 3.5Å; Q993-K996 PolarHBondContact O-N 2.88Å; Q993-K996 VanDerWaalsContact O-N 3.12Å; Q993-D997 PolarHBondContact NE2-OD1 3.1Å; Q993-D997 VanDerWaalsContact O-CG 3.23Å; Q993-D997 PolarHBondContact O-N 3.12Å
994Y87.8Confident82.9Confident57 Ų5749.9 Ų49.922%0.22428%0.278CS..Hα-helixtrans-53.1-45.7173.7-177.1-83.5000111.7G887 L913 K990 D991 I992 D997 S998G887-Y994 VanDerWaalsContact CA-OH 3.28Å; G887-Y994 WeakPolarHBondContact CA-OH 3.3Å; L913-Y994 HydrophobicContact CD2-CD1 4.43Å; K990-Y994 PolarHBondContact O-N 3.46Å; D991-Y994 WeakPolarHBondContact O-CB 3.45Å; D991-Y994 PolarHBondContact O-N 3.36Å; I992-Y994 PolarHBondContact O-N 3.32Å; Y994-D997 PolarHBondContact O-N 2.94Å; Y994-S998 VanDerWaalsContact O-CB 3.31Å; Y994-S998 WeakPolarHBondContact O-CB 3.34Å; Y994-S998 PolarHBondContact O-N 3.22Å; Y994-S998 PolarHBondContact O-OG 3.47Å
995L88.3Confident83.1Confident0 Ų047.7 Ų47.70%026%0.258CS..Hα-helixtrans-65.9-42.6-179.7-174.364.1000111.1V885 L886 L913 F971 V972 F975 I992 Q993 D997 S998 L999V885-L995 HydrophobicContact CG1-CD1 3.74Å; V885-L995 WeakPolarHBondContact O-CD1 3.34Å; L886-L995 HydrophobicContact CD2-CD1 4.43Å; L913-L995 HydrophobicContact CD2-CB 4.27Å; F971-L995 HydrophobicContact CB-CD2 3.89Å; V972-L995 HydrophobicContact CG2-CD2 4.17Å; V972-L995 HydrophobicContact CG2-CG 4.4Å; F975-L995 HydrophobicContact CB-CD2 4.37Å; F975-L995 HydrophobicContact CD2-CD2 3.76Å; F975-L995 HydrophobicContact CE2-CD2 4.14Å; F975-L995 HydrophobicContact CG-CD2 4.03Å; I992-L995 WeakPolarHBondContact O-CB 3.45Å; I992-L995 PolarHBondContact O-N 2.88Å; Q993-L995 PolarHBondContact O-N 3.33Å; L995-D997 VanDerWaalsContact C-N 3.32Å; L995-D997 PolarHBondContact O-N 2.81Å; L995-S998 PolarHBondContact O-N 3.43Å; L995-S998 PolarHBondContact O-OG 2.83Å; L995-L999 HydrophobicContact CD1-CD1 3.87Å; L995-L999 HydrophobicContact CD1-CG 4.47Å; L995-L999 HydrophobicContact CG-CD1 4.01Å; L995-L999 WeakPolarHBondContact O-CB 3.48Å; L995-L999 PolarHBondContact O-N 2.99Å; L995-L999 VanDerWaalsContact O-N 3.08Å
996K88.6Confident83.3Confident62 Ų6251.3 Ų51.327%0.2728%0.278SS..Hα-helixtrans-57.8-45.2174.5-59.8-169.3173.7-178.40111.6V972 I992 Q993 A1000 L1001V972-K996 HydrophobicContact CG2-CG 3.9Å; I992-K996 PolarHBondContact O-N 3.17Å; Q993-K996 WeakPolarHBondContact O-CB 3.5Å; Q993-K996 PolarHBondContact O-N 2.88Å; Q993-K996 VanDerWaalsContact O-N 3.12Å; K996-A1000 PolarHBondContact O-N 2.84Å; K996-A1000 VanDerWaalsContact O-N 3.12Å; K996-L1001 HydrophobicContact CB-CB 4.49Å; K996-L1001 HydrophobicContact CB-CD1 4.19Å; K996-L1001 HydrophobicContact CG-CD1 4.05Å; K996-L1001 PolarHBondContact O-N 3.44Å
997D88Confident83.6Confident104 Ų10455.8 Ų55.856%0.55630%0.3SS*.Hα-helixtrans-68.3-44.9-179.4-65-14.8000111.4Q993 Y994 L995 L999 A1000Q993-D997 PolarHBondContact NE2-OD1 3.1Å; Q993-D997 VanDerWaalsContact O-CG 3.23Å; Q993-D997 PolarHBondContact O-N 3.12Å; Y994-D997 PolarHBondContact O-N 2.94Å; L995-D997 VanDerWaalsContact C-N 3.32Å; L995-D997 PolarHBondContact O-N 2.81Å; D997-L999 VanDerWaalsContact C-N 3.3Å; D997-L999 PolarHBondContact O-N 2.98Å; D997-A1000 PolarHBondContact O-N 3.37Å
998S88.9Confident84.2Confident5 Ų553.1 Ų53.14%0.03528%0.281CS..Hα-helixtrans-63.5-34.5-178.674.90000112.9Y884 V885 Y961 Y994 L995 A1000Y884-S998 WeakPolarHBondContact CE1-O 3.42Å; Y884-S998 PolarHBondContact OH-O 3.39Å; V885-S998 PolarHBondContact O-OG 2.9Å; V885-S998 VanDerWaalsContact O-OG 3.06Å; Y961-S998 WeakPolarHBondContact CE2-O 3.4Å; Y961-S998 PolarHBondContact OH-O 3.04Å; Y994-S998 VanDerWaalsContact O-CB 3.31Å; Y994-S998 WeakPolarHBondContact O-CB 3.34Å; Y994-S998 PolarHBondContact O-N 3.22Å; Y994-S998 PolarHBondContact O-OG 3.47Å; L995-S998 PolarHBondContact O-N 3.43Å; L995-S998 PolarHBondContact O-OG 2.83Å; S998-A1000 VanDerWaalsContact C-N 3.32Å
999L89.9Confident85.1Confident2 Ų253.4 Ų53.41%0.0128%0.281CS..THydrogen-bonded Turntrans-87.8-3.4175.7-71.8167.3000112.7V885 L964 C965 F971 L995 D997 L1001V885-L999 HydrophobicContact CG1-CD1 4.19Å; V885-L999 HydrophobicContact CG1-CD2 3.72Å; V885-L999 HydrophobicContact CG1-CG 3.88Å; V885-L999 HydrophobicContact CG2-CD2 3.92Å; L964-L999 HydrophobicContact CB-CD2 3.91Å; C965-L999 PolarHBondContact SG-O 3.49Å; F971-L999 HydrophobicContact CB-CD1 4.49Å; L995-L999 HydrophobicContact CD1-CD1 3.87Å; L995-L999 HydrophobicContact CD1-CG 4.47Å; L995-L999 HydrophobicContact CG-CD1 4.01Å; L995-L999 WeakPolarHBondContact O-CB 3.48Å; L995-L999 PolarHBondContact O-N 2.99Å; L995-L999 VanDerWaalsContact O-N 3.08Å; D997-L999 VanDerWaalsContact C-N 3.3Å; D997-L999 PolarHBondContact O-N 2.98Å; L999-L1001 VanDerWaalsContact C-N 3.27Å; L999-L1001 HydrophobicContact CB-CD2 4.36Å; L999-L1001 HydrophobicContact CB-CG 4.22Å; L999-L1001 PolarHBondContact O-N 3.1Å
1000A87.4Confident85.8Confident9 Ų955.9 Ų55.97%0.07428%0.281CS..THydrogen-bonded Turntrans49.946.2-174.900000112.6K996 D997 S998 G1002 K1003 A1008K996-A1000 PolarHBondContact O-N 2.84Å; K996-A1000 VanDerWaalsContact O-N 3.12Å; D997-A1000 PolarHBondContact O-N 3.37Å; S998-A1000 VanDerWaalsContact C-N 3.32Å; A1000-G1002 PolarHBondContact O-N 3.38Å; A1000-K1003 HydrophobicContact CB-CB 4.4Å; A1000-K1003 HydrophobicContact CB-CD 4.2Å; A1000-K1003 HydrophobicContact CB-CG 4.45Å; A1000-K1003 WeakPolarHBondContact O-CB 3.22Å; A1000-K1003 PolarHBondContact O-N 3.37Å; A1000-K1003 VanDerWaalsContact O-N 3.11Å; A1000-A1008 HydrophobicContact CB-CB 3.73Å
1001L81.3Confident86.4Confident31 Ų3151.1 Ų51.116%0.16226%0.264CS..THydrogen-bonded Turntrans-55.1141.7178.8-70.4-174.9000111N521 V972 K996 L999 K1003N521-L1001 VanDerWaalsContact CG-O 3.29Å; N521-L1001 PolarHBondContact ND2-O 3.4Å; N521-L1001 PolarHBondContact OD1-O 2.89Å; V972-L1001 HydrophobicContact CG2-CD1 3.55Å; K996-L1001 HydrophobicContact CB-CB 4.49Å; K996-L1001 HydrophobicContact CB-CD1 4.19Å; K996-L1001 HydrophobicContact CG-CD1 4.05Å; K996-L1001 PolarHBondContact O-N 3.44Å; L999-L1001 VanDerWaalsContact C-N 3.27Å; L999-L1001 HydrophobicContact CB-CD2 4.36Å; L999-L1001 HydrophobicContact CB-CG 4.22Å; L999-L1001 PolarHBondContact O-N 3.1Å; L1001-K1003 PolarHBondContact O-N 3.36Å
1002G73.3Confident86.8Confident44 Ų4450.3 Ų50.345%0.45426%0.259SS..THydrogen-bonded Turntrans65.311-17500000116.4N521 A1000N521-G1002 VanDerWaalsContact CG-CA 3.49Å; N521-G1002 VanDerWaalsContact ND2-CA 3.3Å; N521-G1002 WeakPolarHBondContact ND2-CA 3.36Å; N521-G1002 WeakPolarHBondContact OD1-CA 3.09Å; N521-G1002 PolarHBondContact OD1-N 2.95Å; A1000-G1002 PolarHBondContact O-N 3.38Å
1003K81.7Confident87.2Confident116 Ų11653.1 Ų53.150%0.50427%0.271SS..SBendtrans-95.3161.5160.1-58.5-168-173.5177.20110.5A1000 L1001 E1007A1000-K1003 HydrophobicContact CB-CB 4.4Å; A1000-K1003 HydrophobicContact CB-CD 4.2Å; A1000-K1003 HydrophobicContact CB-CG 4.45Å; A1000-K1003 WeakPolarHBondContact O-CB 3.22Å; A1000-K1003 PolarHBondContact O-N 3.37Å; A1000-K1003 VanDerWaalsContact O-N 3.11Å; L1001-K1003 PolarHBondContact O-N 3.36Å; K1003-E1007 HydrophobicContact CB-CB 4.11Å
1004S85.1Confident87.3Confident59 Ų5953.5 Ų53.541%0.41328%0.278SS..  trans-66.3155.4171.165.40000111.1D1006 E1007 A1008S1004-D1006 PolarHBondContact O-N 2.92Å; S1004-E1007 PolarHBondContact N-OE2 3.43Å; S1004-E1007 PolarHBondContact O-N 3.21Å; S1004-E1007 VanDerWaalsContact O-N 3.15Å; S1004-E1007 WeakPolarHBondContact OG-CB 3.41Å; S1004-E1007 VanDerWaalsContact OG-CG 3.25Å; S1004-E1007 WeakPolarHBondContact OG-CG 3.46Å; S1004-E1007 PolarHBondContact OG-N 3.17Å; S1004-E1007 PolarHBondContact OG-OE2 2.94Å; S1004-A1008 PolarHBondContact O-N 3.2Å
1005E84.9Confident87.3Confident59 Ų5954.3 Ų54.328%0.27628%0.282SS..Hα-helixtrans-57-35.6178.8-170.4-175.8124.800111.9K962 R966 L1009K962-E1005 HydrophobicContact CB-CG 4.45Å; K962-E1005 VanDerWaalsContact CD-OE1 3.27Å; K962-E1005 WeakPolarHBondContact CD-OE1 3.24Å; K962-E1005 WeakPolarHBondContact CE-OE1 3.27Å; K962-E1005 HydrophobicContact CG-CG 3.98Å; K962-E1005 WeakPolarHBondContact CG-OE1 3.41Å; K962-E1005 IonicContact NZ-OE1 2.71Å; K962-E1005 PolarHBondContact NZ-OE1 2.92Å; R966-E1005 IonicContact CZ-OE2 3.39Å; R966-E1005 VanDerWaalsContact CZ-OE2 3.25Å; R966-E1005 IonicContact NE-OE2 3.73Å; R966-E1005 PolarHBondContact NE-OE2 2.86Å; R966-E1005 VanDerWaalsContact NH2-CD 3.34Å; R966-E1005 IonicContact NH2-OE1 3.43Å; R966-E1005 PolarHBondContact NH2-OE1 2.92Å; R966-E1005 IonicContact NH2-OE2 3.47Å; R966-E1005 PolarHBondContact NH2-OE2 3.18Å; E1005-L1009 WeakPolarHBondContact O-CB 3.33Å; E1005-L1009 PolarHBondContact O-N 3.26Å
1006D87.8Confident87.2Confident101 Ų10154.5 Ų54.554%0.5428%0.283SS..Hα-helixtrans-71.5-37.5179.3-71.1-27.9000112.8S1004 K1010S1004-D1006 PolarHBondContact O-N 2.92Å; D1006-K1010 WeakPolarHBondContact O-CB 3.26Å; D1006-K1010 VanDerWaalsContact O-CG 3.26Å; D1006-K1010 WeakPolarHBondContact O-CG 3.37Å; D1006-K1010 PolarHBondContact O-N 3.34Å
1007E89.7Confident87.1Confident95 Ų9554.7 Ų54.744%0.44429%0.287SS..Hα-helixtrans-68.4-42.9173.3-74.2172.3155.600111.8K1003 S1004 L1009 K1010 N1011K1003-E1007 HydrophobicContact CB-CB 4.11Å; S1004-E1007 PolarHBondContact N-OE2 3.43Å; S1004-E1007 PolarHBondContact O-N 3.21Å; S1004-E1007 VanDerWaalsContact O-N 3.15Å; S1004-E1007 WeakPolarHBondContact OG-CB 3.41Å; S1004-E1007 VanDerWaalsContact OG-CG 3.25Å; S1004-E1007 WeakPolarHBondContact OG-CG 3.46Å; S1004-E1007 PolarHBondContact OG-N 3.17Å; S1004-E1007 PolarHBondContact OG-OE2 2.94Å; E1007-L1009 VanDerWaalsContact C-N 3.3Å; E1007-L1009 PolarHBondContact O-N 2.92Å; E1007-K1010 PolarHBondContact O-N 3.17Å; E1007-N1011 VanDerWaalsContact O-CG 3.29Å; E1007-N1011 PolarHBondContact O-N 3.1Å; E1007-N1011 PolarHBondContact O-ND2 3.18Å; E1007-N1011 VanDerWaalsContact O-ND2 3.14Å
1008A88.9Confident86.9Confident2 Ų253.2 Ų53.22%0.01728%0.277CS..Hα-helixtrans-57.1-46.6174.200000110.6Y961 A1000 S1004 N1011 F1012Y961-A1008 HydrophobicContact CE1-CB 4.23Å; Y961-A1008 WeakPolarHBondContact CE1-O 3.2Å; A1000-A1008 HydrophobicContact CB-CB 3.73Å; S1004-A1008 PolarHBondContact O-N 3.2Å; A1008-N1011 PolarHBondContact O-N 2.77Å; A1008-F1012 PolarHBondContact O-N 3.28Å
1009L92.3Very high86.4Confident17 Ų1753 Ų539%0.08928%0.276CS..Hα-helixtrans-64.2-42.8177.6-174.671.9000112.4E958 K962 E1005 E1007 N1011 F1012 K1013E958-L1009 HydrophobicContact CB-CD1 3.85Å; E958-L1009 HydrophobicContact CG-CD1 3.91Å; K962-L1009 HydrophobicContact CD-CD1 4.37Å; K962-L1009 HydrophobicContact CG-CD1 4.23Å; E1005-L1009 WeakPolarHBondContact O-CB 3.33Å; E1005-L1009 PolarHBondContact O-N 3.26Å; E1007-L1009 VanDerWaalsContact C-N 3.3Å; E1007-L1009 PolarHBondContact O-N 2.92Å; L1009-N1011 VanDerWaalsContact C-N 3.31Å; L1009-N1011 PolarHBondContact O-N 2.87Å; L1009-F1012 PolarHBondContact O-N 3.42Å; L1009-K1013 HydrophobicContact CG-CD 4.39Å; L1009-K1013 WeakPolarHBondContact O-CG 3.42Å; L1009-K1013 PolarHBondContact O-N 3.2Å
1010K91.8Very high86Confident139 Ų13955.2 Ų55.260%0.60429%0.287SS*.Hα-helixtrans-57.8-45176.1-78170.7-176.31740111.2D1006 E1007 K1013 V1014D1006-K1010 WeakPolarHBondContact O-CB 3.26Å; D1006-K1010 VanDerWaalsContact O-CG 3.26Å; D1006-K1010 WeakPolarHBondContact O-CG 3.37Å; D1006-K1010 PolarHBondContact O-N 3.34Å; E1007-K1010 PolarHBondContact O-N 3.17Å; K1010-K1013 PolarHBondContact O-N 3.16Å; K1010-V1014 WeakPolarHBondContact O-CG2 3.4Å; K1010-V1014 PolarHBondContact O-N 3.06Å; K1010-V1014 VanDerWaalsContact O-N 3.15Å
1011N87.6Confident85.6Confident67 Ų6765 Ų6536%0.35832%0.322SS..Hα-helixtrans-62.3-44.5176.7-66-30.8000111.4E1007 A1008 L1009 K1013 V1014 K1015E1007-N1011 VanDerWaalsContact O-CG 3.29Å; E1007-N1011 PolarHBondContact O-N 3.1Å; E1007-N1011 PolarHBondContact O-ND2 3.18Å; E1007-N1011 VanDerWaalsContact O-ND2 3.14Å; A1008-N1011 PolarHBondContact O-N 2.77Å; L1009-N1011 VanDerWaalsContact C-N 3.31Å; L1009-N1011 PolarHBondContact O-N 2.87Å; N1011-K1013 PolarHBondContact O-N 3.19Å; N1011-V1014 PolarHBondContact O-N 3.01Å; N1011-K1015 WeakPolarHBondContact O-CG 3.13Å; N1011-K1015 PolarHBondContact O-N 3.34Å; N1011-K1015 VanDerWaalsContact O-N 3.1Å
1012F90.6Very high85.3Confident4 Ų465.9 Ų65.92%0.01833%0.326CS..Hα-helixtrans-60.7-42176.1179.9-103.7000112.3V881 Y884 C957 Y961 A1008 L1009 V1014 K1015 F1016V881-F1012 HydrophobicContact CG2-CZ 4.01Å; Y884-F1012 AromaticContact CD1-CD2 3.95Å; Y884-F1012 HydrophobicContact CD1-CD2 3.95Å; Y884-F1012 AromaticContact CD1-CE2 3.9Å; Y884-F1012 HydrophobicContact CD1-CE2 3.9Å; Y884-F1012 AromaticContact CE1-CD2 3.79Å; Y884-F1012 HydrophobicContact CE1-CD2 3.79Å; Y884-F1012 HydrophobicContact CE1-CE2 4.22Å; Y884-F1012 HydrophobicContact CG-CE2 4.48Å; C957-F1012 HydrophobicContact CB-CE1 4.07Å; C957-F1012 HydrophobicContact CB-CZ 4.11Å; Y961-F1012 HydrophobicContact CD1-CB 3.64Å; Y961-F1012 HydrophobicContact CD1-CD1 4.11Å; Y961-F1012 HydrophobicContact CD1-CD2 4.08Å; Y961-F1012 AromaticContact CD1-CG 3.67Å; Y961-F1012 HydrophobicContact CD1-CG 3.67Å; Y961-F1012 AromaticContact CD2-CD2 3.79Å; Y961-F1012 HydrophobicContact CD2-CD2 3.79Å; Y961-F1012 HydrophobicContact CD2-CE2 4.14Å; Y961-F1012 HydrophobicContact CD2-CG 4.25Å; Y961-F1012 HydrophobicContact CE1-CB 3.51Å; Y961-F1012 HydrophobicContact CE1-CD2 4.34Å; Y961-F1012 AromaticContact CE1-CG 4Å; Y961-F1012 HydrophobicContact CE1-CG 4Å; Y961-F1012 HydrophobicContact CE2-CD2 4.07Å; Y961-F1012 HydrophobicContact CG-CB 4.25Å; Y961-F1012 HydrophobicContact CG-CD1 4.19Å; Y961-F1012 AromaticContact CG-CD2 3.8Å; Y961-F1012 HydrophobicContact CG-CD2 3.8Å; Y961-F1012 HydrophobicContact CG-CE2 4.19Å; Y961-F1012 AromaticContact CG-CG 3.8Å; Y961-F1012 HydrophobicContact CG-CG 3.8Å; A1008-F1012 PolarHBondContact O-N 3.28Å; L1009-F1012 PolarHBondContact O-N 3.42Å; F1012-V1014 VanDerWaalsContact C-N 3.34Å; F1012-V1014 PolarHBondContact O-N 3.47Å; F1012-K1015 PolarHBondContact O-N 3.2Å; F1012-F1016 HydrophobicContact CE1-CD2 4.49Å; F1012-F1016 HydrophobicContact CZ-CD2 4.47Å; F1012-F1016 WeakPolarHBondContact O-CB 3.44Å; F1012-F1016 PolarHBondContact O-N 3.28Å
1013K91.1Very high85.1Confident74 Ų7464.4 Ų64.432%0.32231%0.308SS..Hα-helixtrans-59.9-41176-75.6178.9179.7-157.80112.8E958 L1009 K1010 N1011 F1016 N1017E958-K1013 WeakPolarHBondContact OE1-CE 3.32Å; E958-K1013 IonicContact OE1-NZ 2.77Å; E958-K1013 PolarHBondContact OE1-NZ 2.83Å; E958-K1013 WeakPolarHBondContact OE2-CE 3.28Å; E958-K1013 IonicContact OE2-NZ 3.05Å; E958-K1013 PolarHBondContact OE2-NZ 2.96Å; L1009-K1013 HydrophobicContact CG-CD 4.39Å; L1009-K1013 WeakPolarHBondContact O-CG 3.42Å; L1009-K1013 PolarHBondContact O-N 3.2Å; K1010-K1013 PolarHBondContact O-N 3.16Å; N1011-K1013 PolarHBondContact O-N 3.19Å; K1013-F1016 PolarHBondContact O-N 3.48Å; K1013-N1017 VanDerWaalsContact O-CG 3.28Å; K1013-N1017 PolarHBondContact O-N 2.91Å; K1013-N1017 PolarHBondContact O-ND2 3.43Å
1014V89.3Confident84.3Confident76 Ų7666.6 Ų66.646%0.46131%0.313SS..Hα-helixtrans-61.8-49.9175.6173.70000110K1010 N1011 F1012 F1016 N1017 E1018K1010-V1014 WeakPolarHBondContact O-CG2 3.4Å; K1010-V1014 PolarHBondContact O-N 3.06Å; K1010-V1014 VanDerWaalsContact O-N 3.15Å; N1011-V1014 PolarHBondContact O-N 3.01Å; F1012-V1014 VanDerWaalsContact C-N 3.34Å; F1012-V1014 PolarHBondContact O-N 3.47Å; V1014-F1016 VanDerWaalsContact C-N 3.26Å; V1014-F1016 PolarHBondContact O-N 2.92Å; V1014-N1017 PolarHBondContact O-N 3.47Å; V1014-E1018 WeakPolarHBondContact O-CG 3.48Å; V1014-E1018 PolarHBondContact O-N 3.05Å
1015K86.5Confident83.3Confident75 Ų7568.8 Ų68.833%0.32632%0.316SS..Hα-helixtrans-59.8-37.4176.7-66.4-72.8155.8-149.10112P928 F929 N1011 F1012 E1018 A1019P928-K1015 HydrophobicContact CB-CD 4.19Å; P928-K1015 HydrophobicContact CG-CB 4.15Å; P928-K1015 HydrophobicContact CG-CD 3.79Å; F929-K1015 WeakPolarHBondContact CE1-O 3.47Å; N1011-K1015 WeakPolarHBondContact O-CG 3.13Å; N1011-K1015 PolarHBondContact O-N 3.34Å; N1011-K1015 VanDerWaalsContact O-N 3.1Å; F1012-K1015 PolarHBondContact O-N 3.2Å; K1015-E1018 IonicContact NZ-OE1 2.68Å; K1015-E1018 IonicContact NZ-OE2 2.73Å; K1015-E1018 PolarHBondContact NZ-OE2 2.85Å; K1015-E1018 PolarHBondContact O-N 3.4Å; K1015-A1019 PolarHBondContact O-N 3.37Å
1016F87.2Confident82.4Confident3 Ų366.5 Ų66.51%0.01331%0.306CS..Hα-helixtrans-62.3-48176-171.7-82.5000112.9F929 L931 F950 F953 R954 C957 F1012 K1013 V1014 A1019 L1020F929-F1016 HydrophobicContact CE1-CB 4.27Å; F929-F1016 HydrophobicContact CE1-CD2 4.33Å; F929-F1016 HydrophobicContact CE2-CD2 4.09Å; F929-F1016 HydrophobicContact CE2-CE2 4.34Å; F929-F1016 HydrophobicContact CZ-CB 4.07Å; F929-F1016 AromaticContact CZ-CD2 3.48Å; F929-F1016 HydrophobicContact CZ-CD2 3.48Å; F929-F1016 VanDerWaalsContact CZ-CD2 3.48Å; F929-F1016 HydrophobicContact CZ-CE2 4.14Å; F929-F1016 AromaticContact CZ-CG 3.92Å; F929-F1016 HydrophobicContact CZ-CG 3.92Å; L931-F1016 HydrophobicContact CD2-CZ 4.22Å; F950-F1016 HydrophobicContact CE1-CE1 4.31Å; F950-F1016 HydrophobicContact CZ-CE1 4.07Å; F950-F1016 HydrophobicContact CZ-CZ 4.15Å; F953-F1016 HydrophobicContact CD1-CZ 4.05Å; F953-F1016 AromaticContact CE1-CE2 3.85Å; F953-F1016 HydrophobicContact CE1-CE2 3.85Å; F953-F1016 AromaticContact CE1-CZ 3.68Å; F953-F1016 HydrophobicContact CE1-CZ 3.68Å; R954-F1016 HydrophobicContact CB-CE1 4.44Å; R954-F1016 HydrophobicContact CB-CZ 4.3Å; R954-F1016 HydrophobicContact CG-CD1 4.39Å; R954-F1016 HydrophobicContact CG-CE1 4.04Å; R954-F1016 HydrophobicContact CG-CZ 4.19Å; C957-F1016 HydrophobicContact CB-CE2 4.26Å; F1012-F1016 HydrophobicContact CE1-CD2 4.49Å; F1012-F1016 HydrophobicContact CZ-CD2 4.47Å; F1012-F1016 WeakPolarHBondContact O-CB 3.44Å; F1012-F1016 PolarHBondContact O-N 3.28Å; K1013-F1016 PolarHBondContact O-N 3.48Å; V1014-F1016 VanDerWaalsContact C-N 3.26Å; V1014-F1016 PolarHBondContact O-N 2.92Å; F1016-A1019 PolarHBondContact O-N 3.33Å; F1016-L1020 PolarHBondContact O-N 2.86Å
1017N86.1Confident81.4Confident66 Ų6662.1 Ų62.135%0.35328%0.282SS..Hα-helixtrans-68.3-35.7178.6-68.8-30.9000112.4K1013 V1014 L1020 R1021K1013-N1017 VanDerWaalsContact O-CG 3.28Å; K1013-N1017 PolarHBondContact O-N 2.91Å; K1013-N1017 PolarHBondContact O-ND2 3.43Å; V1014-N1017 PolarHBondContact O-N 3.47Å; N1017-L1020 PolarHBondContact O-N 3.39Å; N1017-R1021 VanDerWaalsContact O-CG 3.29Å; N1017-R1021 WeakPolarHBondContact O-CG 3.39Å; N1017-R1021 PolarHBondContact O-N 3.43Å
1018E83.1Confident80.1Confident74 Ų7459.9 Ų59.935%0.34627%0.274SS..Hα-helixtrans-58.9-50.6171.4-74.4173.717600110.8V1014 K1015 L1020 R1021 E1022V1014-E1018 WeakPolarHBondContact O-CG 3.48Å; V1014-E1018 PolarHBondContact O-N 3.05Å; K1015-E1018 IonicContact NZ-OE1 2.68Å; K1015-E1018 IonicContact NZ-OE2 2.73Å; K1015-E1018 PolarHBondContact NZ-OE2 2.85Å; K1015-E1018 PolarHBondContact O-N 3.4Å; E1018-L1020 VanDerWaalsContact C-N 3.33Å; E1018-L1020 PolarHBondContact O-N 2.94Å; E1018-R1021 PolarHBondContact O-N 2.98Å; E1018-E1022 WeakPolarHBondContact O-CG 3.29Å; E1018-E1022 PolarHBondContact O-N 2.71Å
1019A79.9Confident79Confident1 Ų163.8 Ų63.81%0.00830%0.295CS..Hα-helixtrans-61.8-38.9179.400000113V927 F929 K1015 F1016 E1022 S1023V927-A1019 HydrophobicContact CG1-CB 3.54Å; F929-A1019 HydrophobicContact CD1-CB 3.91Å; F929-A1019 HydrophobicContact CD2-CB 4.35Å; F929-A1019 HydrophobicContact CE1-CB 3.36Å; F929-A1019 HydrophobicContact CE2-CB 3.87Å; F929-A1019 HydrophobicContact CG-CB 4.36Å; F929-A1019 HydrophobicContact CZ-CB 3.33Å; K1015-A1019 PolarHBondContact O-N 3.37Å; F1016-A1019 PolarHBondContact O-N 3.33Å; A1019-E1022 CarbonylContact O-C 3.59Å; A1019-E1022 PolarHBondContact O-N 2.89Å; A1019-S1023 PolarHBondContact O-N 3.45Å
1020L79.9Confident77.8Confident48 Ų4863.5 Ų63.525%0.25129%0.293SS..Hα-helixtrans-63.5-43.7175.6-175.161.9000112L931 V936 F950 F1016 N1017 E1018 E1022 S1023L931-L1020 HydrophobicContact CD2-CD1 4.07Å; V936-L1020 HydrophobicContact CG2-CD1 4.14Å; F950-L1020 HydrophobicContact CE1-CD1 4.42Å; F950-L1020 HydrophobicContact CE1-CD2 3.71Å; F950-L1020 HydrophobicContact CE2-CD1 4.33Å; F950-L1020 HydrophobicContact CZ-CD1 3.69Å; F950-L1020 HydrophobicContact CZ-CD2 3.76Å; F950-L1020 HydrophobicContact CZ-CG 4.34Å; F1016-L1020 PolarHBondContact O-N 2.86Å; N1017-L1020 PolarHBondContact O-N 3.39Å; E1018-L1020 VanDerWaalsContact C-N 3.33Å; E1018-L1020 PolarHBondContact O-N 2.94Å; L1020-E1022 VanDerWaalsContact C-N 3.29Å; L1020-E1022 PolarHBondContact O-N 3.35Å; L1020-S1023 WeakPolarHBondContact O-CB 3.42Å; L1020-S1023 PolarHBondContact O-N 2.73Å; L1020-S1023 PolarHBondContact O-OG 2.89Å
1021R79.3Confident76.4Confident215 Ų21558.9 Ų58.981%0.81127%0.274SS*.Hα-helixtrans-63.3-35.4175.9-72.2172.9-176.1-176.21.9112N1017 E1018N1017-R1021 VanDerWaalsContact O-CG 3.29Å; N1017-R1021 WeakPolarHBondContact O-CG 3.39Å; N1017-R1021 PolarHBondContact O-N 3.43Å; E1018-R1021 PolarHBondContact O-N 2.98Å
1022E74.4Confident75.1Confident49 Ų4961.1 Ų61.123%0.22928%0.284CS..Hα-helixtrans-90.5-0.3-178.9-60.3-149.9131.900114.6V927 E1018 A1019 L1020 W1024 K1025 T1026V927-E1022 HydrophobicContact CG2-CB 3.96Å; V927-E1022 WeakPolarHBondContact CG2-OE2 3.44Å; E1018-E1022 WeakPolarHBondContact O-CG 3.29Å; E1018-E1022 PolarHBondContact O-N 2.71Å; A1019-E1022 CarbonylContact O-C 3.59Å; A1019-E1022 PolarHBondContact O-N 2.89Å; L1020-E1022 VanDerWaalsContact C-N 3.29Å; L1020-E1022 PolarHBondContact O-N 3.35Å; E1022-W1024 PolarHBondContact O-N 2.87Å; E1022-W1024 VanDerWaalsContact O-N 3.07Å; E1022-K1025 HydrophobicContact CB-CD 4.43Å; E1022-K1025 HydrophobicContact CG-CD 4.46Å; E1022-K1025 WeakPolarHBondContact O-CA 3.47Å; E1022-K1025 WeakPolarHBondContact O-CB 3.48Å; E1022-K1025 PolarHBondContact O-N 3.21Å; E1022-K1025 IonicContact OE1-NZ 2.81Å; E1022-K1025 PolarHBondContact OE1-NZ 3.43Å; E1022-T1026 PolarHBondContact O-N 3.11Å
1023S70.7Confident73.6Confident13 Ų1362.9 Ų62.99%0.09129%0.292CS..Hα-helixtrans-52.4-33.6-177.261.20000114.7L931 A1019 L1020 K1027L931-S1023 WeakPolarHBondContact O-CB 3.28Å; A1019-S1023 PolarHBondContact O-N 3.45Å; L1020-S1023 WeakPolarHBondContact O-CB 3.42Å; L1020-S1023 PolarHBondContact O-N 2.73Å; L1020-S1023 PolarHBondContact O-OG 2.89Å; S1023-K1027 PolarHBondContact O-N 3.42Å
1024W63.7Low72.1Confident161 Ų16160.8 Ų60.861%0.6129%0.286SS*.Hα-helixtrans-64.3-40.4172.6154-99000112.9E1022 T1026 K1027 V1028E1022-W1024 PolarHBondContact O-N 2.87Å; E1022-W1024 VanDerWaalsContact O-N 3.07Å; W1024-T1026 VanDerWaalsContact C-N 3.32Å; W1024-T1026 PolarHBondContact O-N 2.85Å; W1024-K1027 WeakPolarHBondContact O-CB 3.43Å; W1024-K1027 PolarHBondContact O-N 2.74Å; W1024-V1028 HydrophobicContact CD2-CG2 4.41Å; W1024-V1028 HydrophobicContact CH2-CG2 4.27Å; W1024-V1028 HydrophobicContact CZ2-CG2 3.88Å; W1024-V1028 PolarHBondContact O-N 3.47Å
1025K65.4Low70.6Confident106 Ų10660.4 Ų60.446%0.46128%0.281SS..Hα-helixtrans-65.6-37.4-180-62179.9-175.51700111.1E1022 K1027 V1028 N1029E1022-K1025 HydrophobicContact CB-CD 4.43Å; E1022-K1025 HydrophobicContact CG-CD 4.46Å; E1022-K1025 WeakPolarHBondContact O-CA 3.47Å; E1022-K1025 WeakPolarHBondContact O-CB 3.48Å; E1022-K1025 PolarHBondContact O-N 3.21Å; E1022-K1025 IonicContact OE1-NZ 2.81Å; E1022-K1025 PolarHBondContact OE1-NZ 3.43Å; K1025-K1027 VanDerWaalsContact C-N 3.3Å; K1025-K1027 PolarHBondContact O-N 2.88Å; K1025-V1028 PolarHBondContact O-N 2.89Å; K1025-N1029 PolarHBondContact O-N 3.28Å; K1025-N1029 VanDerWaalsContact O-N 3.09Å
1026T64.3Low69.1Low11 Ų1160 Ų607%0.06729%0.293CS..Hα-helixtrans-60.8-39175.4-50.70000111.8I930 T932 E1022 W1024 V1028 N1029 W1030I930-T1026 HydrophobicContact CG2-CG2 4.25Å; T932-T1026 HydrophobicContact CG2-CG2 3.68Å; E1022-T1026 PolarHBondContact O-N 3.11Å; W1024-T1026 VanDerWaalsContact C-N 3.32Å; W1024-T1026 PolarHBondContact O-N 2.85Å; T1026-V1028 PolarHBondContact O-N 2.62Å; T1026-N1029 WeakPolarHBondContact O-CB 3.39Å; T1026-N1029 PolarHBondContact O-N 2.91Å; T1026-W1030 PolarHBondContact O-N 2.99Å
1027K67.1Low67.2Low8 Ų865.7 Ų65.74%0.03532%0.317CS..Hα-helixtrans-63.5-39.8175.9-170.3168.1-177158.80112.7A846 F847 D934 S1023 W1024 K1025 W1030 M1031A846-K1027 WeakPolarHBondContact O-CE 3.45Å; A846-K1027 PolarHBondContact O-NZ 3.28Å; F847-K1027 PolarHBondContact O-NZ 2.92Å; D934-K1027 IonicContact OD1-NZ 3.19Å; D934-K1027 PolarHBondContact OD1-NZ 3.01Å; D934-K1027 IonicContact OD2-NZ 3.08Å; S1023-K1027 PolarHBondContact O-N 3.42Å; W1024-K1027 WeakPolarHBondContact O-CB 3.43Å; W1024-K1027 PolarHBondContact O-N 2.74Å; K1025-K1027 VanDerWaalsContact C-N 3.3Å; K1025-K1027 PolarHBondContact O-N 2.88Å; K1027-W1030 PolarHBondContact O-N 3.38Å; K1027-M1031 PolarHBondContact O-N 3.42Å; K1027-M1031 VanDerWaalsContact O-N 3.13Å
1028V63.3Low65.2Low48 Ų4866.3 Ų66.329%0.29132%0.32SS..Hα-helixtrans-64.8-39.8174.7178.80000111.3W1024 K1025 T1026 W1030 M1031 M1032W1024-V1028 HydrophobicContact CD2-CG2 4.41Å; W1024-V1028 HydrophobicContact CH2-CG2 4.27Å; W1024-V1028 HydrophobicContact CZ2-CG2 3.88Å; W1024-V1028 PolarHBondContact O-N 3.47Å; K1025-V1028 PolarHBondContact O-N 2.89Å; T1026-V1028 PolarHBondContact O-N 2.62Å; V1028-W1030 PolarHBondContact O-N 2.86Å; V1028-M1031 WeakPolarHBondContact O-CB 3.42Å; V1028-M1031 PolarHBondContact O-N 3Å; V1028-M1032 WeakPolarHBondContact O-CG 3.17Å; V1028-M1032 PolarHBondContact O-N 3.01Å; V1028-M1032 VanDerWaalsContact O-N 3.11Å
1029N64.8Low62.7Low85 Ų8569.6 Ų69.646%0.45534%0.34SS..Hα-helixtrans-62.5-41.6174.6-80.8-11.6000112.4K1025 T1026 M1031 M1032 H1033K1025-N1029 PolarHBondContact O-N 3.28Å; K1025-N1029 VanDerWaalsContact O-N 3.09Å; T1026-N1029 WeakPolarHBondContact O-CB 3.39Å; T1026-N1029 PolarHBondContact O-N 2.91Å; N1029-M1031 VanDerWaalsContact C-N 3.33Å; N1029-M1031 PolarHBondContact O-N 3Å; N1029-M1032 PolarHBondContact O-N 3.45Å; N1029-H1033 PolarHBondContact O-N 3.48Å
1030W67.3Low60.2Low11 Ų1178.3 Ų78.34%0.04237%0.373CS..Hα-helixtrans-62-39176.3-68.7-3.1000112.5R891 N893 I896 I930 T932 F935 T1026 K1027 V1028 H1033 S1034R891-W1030 PolarHBondContact O-NE1 3.2Å; R891-W1030 VanDerWaalsContact O-NE1 3.08Å; N893-W1030 VanDerWaalsContact OD1-CH2 3.26Å; N893-W1030 WeakPolarHBondContact OD1-CH2 3.49Å; N893-W1030 WeakPolarHBondContact OD1-CZ3 3.27Å; I896-W1030 HydrophobicContact CD1-CH2 4.08Å; I896-W1030 HydrophobicContact CD1-CZ2 3.82Å; I930-W1030 HydrophobicContact CG2-CH2 4.4Å; I930-W1030 HydrophobicContact CG2-CZ2 3.66Å; T932-W1030 HydrophobicContact CG2-CD2 4.1Å; T932-W1030 HydrophobicContact CG2-CE3 3.77Å; T932-W1030 HydrophobicContact CG2-CH2 3.14Å; T932-W1030 HydrophobicContact CG2-CZ2 3.39Å; T932-W1030 HydrophobicContact CG2-CZ3 3.31Å; T932-W1030 WeakPolarHBondContact OG1-CZ3 3.45Å; F935-W1030 HydrophobicContact CE1-CH2 4.34Å; F935-W1030 HydrophobicContact CE2-CH2 4.01Å; F935-W1030 AromaticContact CZ-CH2 3.67Å; F935-W1030 HydrophobicContact CZ-CH2 3.67Å; F935-W1030 HydrophobicContact CZ-CZ3 4.41Å; T1026-W1030 PolarHBondContact O-N 2.99Å; K1027-W1030 PolarHBondContact O-N 3.38Å; V1028-W1030 PolarHBondContact O-N 2.86Å; W1030-H1033 WeakPolarHBondContact O-CB 3.41Å; W1030-H1033 PolarHBondContact O-N 2.98Å; W1030-S1034 PolarHBondContact O-N 2.95Å
1031M62.9Low57.8Low42 Ų4285.5 Ų85.521%0.20742%0.423CS..Hα-helixtrans-61.1-49.1173-179.1-162.77400111.7F847 K1027 V1028 N1029 H1033 S1034 L1035F847-M1031 HydrophobicContact CE2-CG 4.21Å; F847-M1031 HydrophobicContact CE2-SD 3.52Å; F847-M1031 VanDerWaalsContact CE2-SD 3.52Å; F847-M1031 HydrophobicContact CZ-CG 4.41Å; F847-M1031 HydrophobicContact CZ-SD 3.47Å; F847-M1031 WeakPolarHBondContact CZ-SD 3.39Å; K1027-M1031 PolarHBondContact O-N 3.42Å; K1027-M1031 VanDerWaalsContact O-N 3.13Å; V1028-M1031 WeakPolarHBondContact O-CB 3.42Å; V1028-M1031 PolarHBondContact O-N 3Å; N1029-M1031 VanDerWaalsContact C-N 3.33Å; N1029-M1031 PolarHBondContact O-N 3Å; M1031-H1033 PolarHBondContact O-N 3Å; M1031-S1034 PolarHBondContact O-N 3.12Å; M1031-S1034 VanDerWaalsContact O-N 3.08Å; M1031-L1035 HydrophobicContact CE-CD1 4.02Å; M1031-L1035 HydrophobicContact CG-CD1 3.85Å; M1031-L1035 HydrophobicContact CG-CG 4.3Å; M1031-L1035 WeakPolarHBondContact O-CG 3.1Å; M1031-L1035 PolarHBondContact O-N 3.3Å; M1031-L1035 HydrophobicContact SD-CD1 4.21Å
1032M61.3Low56.8Low114 Ų11479.1 Ų79.156%0.56240%0.403SS*.Hα-helixtrans-60.1-32.1178.5-69-65-73.900112V1028 N1029 A1036V1028-M1032 WeakPolarHBondContact O-CG 3.17Å; V1028-M1032 PolarHBondContact O-N 3.01Å; V1028-M1032 VanDerWaalsContact O-N 3.11Å; N1029-M1032 PolarHBondContact O-N 3.45Å; M1032-A1036 WeakPolarHBondContact O-CB 3.39Å; M1032-A1036 PolarHBondContact O-N 2.65Å; M1032-A1036 VanDerWaalsContact O-N 3.15Å
1033H59.1Low55.8Low40 Ų4080.6 Ų80.619%0.18541%0.413CS..Hα-helixtrans-68.4-45173.3-166.1-89.6000112.3H892 D894 N1029 W1030 M1031 A1036 K1037H892-H1033 AromaticContact CD2-CD2 3.74Å; H892-H1033 AromaticContact CD2-CE1 3.44Å; H892-H1033 PolarHBondContact CD2-CE1 3.33Å; H892-H1033 VanDerWaalsContact CD2-CE1 3.44Å; H892-H1033 AromaticContact CD2-CG 3.97Å; H892-H1033 AromaticContact CD2-ND1 3.8Å; H892-H1033 AromaticContact CD2-NE2 3.45Å; H892-H1033 PolarHBondContact CD2-NE2 3.38Å; H892-H1033 AromaticContact CE1-CE1 3.93Å; H892-H1033 AromaticContact CG-CE1 4Å; H892-H1033 AromaticContact CG-ND1 4Å; H892-H1033 AromaticContact NE2-CE1 3.37Å; H892-H1033 PolarHBondContact NE2-CE1 3.35Å; H892-H1033 AromaticContact NE2-NE2 3.51Å; D894-H1033 IonicContact OD2-CE1 2.91Å; D894-H1033 IonicContact OD2-ND1 2.59Å; N1029-H1033 PolarHBondContact O-N 3.48Å; W1030-H1033 WeakPolarHBondContact O-CB 3.41Å; W1030-H1033 PolarHBondContact O-N 2.98Å; M1031-H1033 PolarHBondContact O-N 3Å; H1033-A1036 PolarHBondContact O-N 3.42Å; H1033-K1037 PolarHBondContact O-N 3.33Å
1034S59.6Low55Low30 Ų3084.4 Ų84.421%0.2143%0.43CS..Hα-helixtrans-62.4-46.6176.7-162.60000111.8W1030 M1031 A1036 K1037 D1038W1030-S1034 PolarHBondContact O-N 2.95Å; M1031-S1034 PolarHBondContact O-N 3.12Å; M1031-S1034 VanDerWaalsContact O-N 3.08Å; S1034-A1036 VanDerWaalsContact C-N 3.34Å; S1034-A1036 PolarHBondContact O-N 3.16Å; S1034-K1037 WeakPolarHBondContact O-CB 3.24Å; S1034-K1037 PolarHBondContact O-N 2.74Å; S1034-D1038 PolarHBondContact O-N 2.72Å; S1034-D1038 VanDerWaalsContact O-N 3.1Å
1035L56.2Low54.5Low68 Ų6879.9 Ų79.936%0.35642%0.42SS..Hα-helixtrans-63.5-36.2179.1-71.4170.8000112.8M1031 K1037 D1038 N1039M1031-L1035 HydrophobicContact CE-CD1 4.02Å; M1031-L1035 HydrophobicContact CG-CD1 3.85Å; M1031-L1035 HydrophobicContact CG-CG 4.3Å; M1031-L1035 WeakPolarHBondContact O-CG 3.1Å; M1031-L1035 PolarHBondContact O-N 3.3Å; M1031-L1035 HydrophobicContact SD-CD1 4.21Å; L1035-K1037 PolarHBondContact O-N 3.23Å; L1035-D1038 PolarHBondContact O-N 2.9Å; L1035-N1039 PolarHBondContact O-N 3.3Å
1036A55.1Low53.8Low68 Ų6878.3 Ų78.356%0.56242%0.417SS*.Hα-helixtrans-65-21.2175.600000113M1032 H1033 S1034M1032-A1036 WeakPolarHBondContact O-CB 3.39Å; M1032-A1036 PolarHBondContact O-N 2.65Å; M1032-A1036 VanDerWaalsContact O-N 3.15Å; H1033-A1036 PolarHBondContact O-N 3.42Å; S1034-A1036 VanDerWaalsContact C-N 3.34Å; S1034-A1036 PolarHBondContact O-N 3.16Å
1037K48.5Very low53.1Low121 Ų12182.7 Ų82.753%0.52644%0.441SS..Hα-helixtrans-91.4-30.5178.2-129.2-179.4-175.9176.70112.5D894 H1033 S1034 L1035 N1039D894-K1037 IonicContact OD1-NZ 2.73Å; D894-K1037 PolarHBondContact OD1-NZ 3.3Å; D894-K1037 VanDerWaalsContact OD1-NZ 3.16Å; D894-K1037 IonicContact OD2-NZ 3.55Å; D894-K1037 PolarHBondContact OD2-NZ 2.69Å; H1033-K1037 PolarHBondContact O-N 3.33Å; S1034-K1037 WeakPolarHBondContact O-CB 3.24Å; S1034-K1037 PolarHBondContact O-N 2.74Å; L1035-K1037 PolarHBondContact O-N 3.23Å; K1037-N1039 PolarHBondContact O-N 3.1Å
1038D43Very low52.1Low79 Ų7988.1 Ų88.142%0.42247%0.47SS..Hα-helixtrans-74.7-6.9177-82-20000113.8S1034 L1035 R1040S1034-D1038 PolarHBondContact O-N 2.72Å; S1034-D1038 VanDerWaalsContact O-N 3.1Å; L1035-D1038 PolarHBondContact O-N 2.9Å; D1038-R1040 PolarHBondContact O-N 3.15Å
1039N30.3Very low51.3Low143 Ų14391.2 Ų91.277%0.76548%0.483SS*.  trans-76.462.9168.9-78.2-13.9000112.1L1035 K1037L1035-N1039 PolarHBondContact O-N 3.3Å; K1037-N1039 PolarHBondContact O-N 3.1Å
1040R28.8Very low50.2Low184 Ų18491.7 Ų91.769%0.69449%0.486SS*.  trans-103.2138.1153.7-69.7-175.3-172.1177.74.1107.8D1038D1038-R1040 PolarHBondContact O-N 3.15Å
1041P29.8Very low48.6Very low200 Ų20099 Ų99100%1.29953%0.526SS*.  trans-60.40167.228.4-33.6000111.6

Retrieved 1,041 of 1,041 residues in 397.1 ms (Link to these results)

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