A0A087Y2K9_POEFO Loading...

Phosphorylated CTD interacting factor 1

AlphaFold DB , UniProt , Accession A0A087Y2K9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 466 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
1M92.5Very high93.3Very high115 Ų11569.5 Ų69.557%0.56734%0.34SS*.  0-75.60-165173-80.900114.8R3 E4 V5 I102M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.15Å; M1-E4 PolarHBondContact N-OE1 2.95Å; M1-E4 PolarHBondContact O-N 3.15Å; M1-E4 VanDerWaalsContact O-N 3.08Å; M1-V5 HydrophobicContact CG-CG2 4.34Å; M1-V5 WeakPolarHBondContact O-CG2 3.23Å; M1-V5 PolarHBondContact O-N 3.23Å; M1-I102 HydrophobicContact CE-CG2 3.98Å; M1-I102 HydrophobicContact SD-CG2 3.63Å
2F95.2Very high93.1Very high78 Ų7879.5 Ų79.534%0.34237%0.371SS..Hα-helixtrans-51.3-51.9-175.7176.5-91000112E4 V5 M6 K92 V95 E96F2-E4 VanDerWaalsContact C-N 3.33Å; F2-E4 PolarHBondContact O-N 3.46Å; F2-V5 PolarHBondContact O-N 2.77Å; F2-M6 HydrophobicContact CD1-CG 4Å; F2-M6 HydrophobicContact CD2-CG 4.32Å; F2-M6 HydrophobicContact CE1-CG 3.64Å; F2-M6 HydrophobicContact CE2-CG 3.96Å; F2-M6 HydrophobicContact CE2-SD 4.19Å; F2-M6 HydrophobicContact CG-CG 4.32Å; F2-M6 HydrophobicContact CZ-CE 4.17Å; F2-M6 HydrophobicContact CZ-CG 3.61Å; F2-M6 HydrophobicContact CZ-SD 4Å; F2-M6 WeakPolarHBondContact O-CB 3.33Å; F2-M6 WeakPolarHBondContact O-CG 3.26Å; F2-M6 PolarHBondContact O-N 2.96Å; F2-K92 HydrophobicContact CE2-CG 4.39Å; F2-K92 HydrophobicContact CZ-CG 4.21Å; F2-V95 HydrophobicContact CD2-CB 4.11Å; F2-V95 HydrophobicContact CD2-CG1 3.58Å; F2-V95 HydrophobicContact CE2-CB 3.98Å; F2-V95 HydrophobicContact CE2-CG1 3.93Å; F2-V95 HydrophobicContact CG-CG1 4.34Å; F2-E96 HydrophobicContact CD2-CG 4Å; F2-E96 HydrophobicContact CE2-CG 3.69Å
3R92.4Very high92.6Very high118 Ų11877.6 Ų77.645%0.44537%0.365SS..Hα-helixtrans-54.9-44177.6-175.317464.7179.98.4113.3M1 N7 E294M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.15Å; R3-N7 PolarHBondContact O-N 3.36Å; R3-E294 IonicContact CZ-OE1 2.84Å; R3-E294 IonicContact CZ-OE2 3.35Å; R3-E294 IonicContact NH1-OE1 3.94Å; R3-E294 PolarHBondContact NH1-OE1 2.9Å; R3-E294 IonicContact NH1-OE2 3.06Å; R3-E294 PolarHBondContact NH1-OE2 2.91Å; R3-E294 VanDerWaalsContact NH2-CD 3.29Å; R3-E294 IonicContact NH2-OE1 2.71Å; R3-E294 PolarHBondContact NH2-OE1 3.37Å; R3-E294 IonicContact NH2-OE2 3.86Å
4E91.6Very high91.8Very high125 Ų12577.9 Ų77.958%0.58438%0.38SS*.Hα-helixtrans-69.4-45-179.2-68.5164.3-99.300112.2M1 F2 M6 N7 D8M1-E4 PolarHBondContact N-OE1 2.95Å; M1-E4 PolarHBondContact O-N 3.15Å; M1-E4 VanDerWaalsContact O-N 3.08Å; F2-E4 VanDerWaalsContact C-N 3.33Å; F2-E4 PolarHBondContact O-N 3.46Å; E4-M6 VanDerWaalsContact C-N 3.3Å; E4-M6 PolarHBondContact O-N 2.89Å; E4-N7 PolarHBondContact O-N 2.92Å; E4-D8 PolarHBondContact O-N 3.41Å
5V94.8Very high91.2Very high48 Ų4888.3 Ų88.329%0.29141%0.413SS..Hα-helixtrans-62.8-41.4177.2176.80000110.3M1 F2 N7 D8 I9 V95M1-V5 HydrophobicContact CG-CG2 4.34Å; M1-V5 WeakPolarHBondContact O-CG2 3.23Å; M1-V5 PolarHBondContact O-N 3.23Å; F2-V5 PolarHBondContact O-N 2.77Å; V5-N7 VanDerWaalsContact C-N 3.33Å; V5-N7 PolarHBondContact O-N 3.13Å; V5-D8 PolarHBondContact O-N 3.43Å; V5-I9 HydrophobicContact CG1-CD1 4.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.46Å; V5-V95 HydrophobicContact CB-CG1 3.81Å; V5-V95 HydrophobicContact CG1-CB 4.46Å; V5-V95 HydrophobicContact CG1-CG1 3.67Å; V5-V95 HydrophobicContact CG1-CG2 3.92Å
6M93.9Very high90.9Very high17 Ų1784 Ų848%0.08439%0.393CS..Hα-helixtrans-64.5-35.3177-70-64-72.800112.9F2 E4 D8 I9 T88 A91 V95F2-M6 HydrophobicContact CD1-CG 4Å; F2-M6 HydrophobicContact CD2-CG 4.32Å; F2-M6 HydrophobicContact CE1-CG 3.64Å; F2-M6 HydrophobicContact CE2-CG 3.96Å; F2-M6 HydrophobicContact CE2-SD 4.19Å; F2-M6 HydrophobicContact CG-CG 4.32Å; F2-M6 HydrophobicContact CZ-CE 4.17Å; F2-M6 HydrophobicContact CZ-CG 3.61Å; F2-M6 HydrophobicContact CZ-SD 4Å; F2-M6 WeakPolarHBondContact O-CB 3.33Å; F2-M6 WeakPolarHBondContact O-CG 3.26Å; F2-M6 PolarHBondContact O-N 2.96Å; E4-M6 VanDerWaalsContact C-N 3.3Å; E4-M6 PolarHBondContact O-N 2.89Å; M6-D8 PolarHBondContact O-N 2.98Å; M6-I9 PolarHBondContact O-N 2.89Å; M6-I9 HydrophobicContact SD-CD1 4.17Å; M6-T88 VanDerWaalsContact CE-CA 3.48Å; M6-T88 HydrophobicContact CE-CG2 3.18Å; M6-T88 WeakPolarHBondContact CE-O 3.41Å; M6-A91 HydrophobicContact CE-CB 4.08Å; M6-A91 HydrophobicContact SD-CB 3.94Å; M6-V95 HydrophobicContact CG-CG1 4.14Å; M6-V95 HydrophobicContact SD-CB 3.89Å; M6-V95 HydrophobicContact SD-CG1 4.15Å; M6-V95 HydrophobicContact SD-CG2 3.6Å; M6-V95 VanDerWaalsContact SD-CG2 3.6Å
7N91.8Very high90.6Very high90 Ų9087.5 Ų87.548%0.48141%0.407SS..Hα-helixtrans-64.5-27177-82.7-7000113.2R3 E4 V5 I9R3-N7 PolarHBondContact O-N 3.36Å; E4-N7 PolarHBondContact O-N 2.92Å; V5-N7 VanDerWaalsContact C-N 3.33Å; V5-N7 PolarHBondContact O-N 3.13Å; N7-I9 VanDerWaalsContact C-N 3.35Å
8D93.9Very high90.7Very high70 Ų7091.3 Ų91.337%0.37442%0.418SS..THydrogen-bonded Turntrans-938179.3-78-4.4000113.3E4 V5 M6 I11 R12E4-D8 PolarHBondContact O-N 3.41Å; V5-D8 PolarHBondContact O-N 3.43Å; M6-D8 PolarHBondContact O-N 2.98Å; D8-I11 CarbonylContact O-C 2.94Å; D8-I11 VanDerWaalsContact O-CA 3.32Å; D8-I11 WeakPolarHBondContact O-CA 3.24Å; D8-I11 PolarHBondContact O-N 3.42Å; D8-R12 HydrophobicContact CB-CB 4.07Å; D8-R12 PolarHBondContact O-N 3.44Å; D8-R12 VanDerWaalsContact O-N 3.17Å; D8-R12 WeakPolarHBondContact OD1-CG 3.34Å; D8-R12 WeakPolarHBondContact OD2-CD 3.49Å; D8-R12 IonicContact OD2-NE 3.75Å
9I94.1Very high90.7Very high38 Ų3890.5 Ų90.520%0.19541%0.414CS..SBendtrans-102.4136177-69.7173000109.8V5 M6 N7 M36 V87 A91 V95V5-I9 HydrophobicContact CG1-CD1 4.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.46Å; M6-I9 PolarHBondContact O-N 2.89Å; M6-I9 HydrophobicContact SD-CD1 4.17Å; N7-I9 VanDerWaalsContact C-N 3.35Å; I9-M36 HydrophobicContact CG2-CE 3.73Å; I9-M36 HydrophobicContact CG2-SD 3.76Å; I9-V87 HydrophobicContact CG2-CG1 3.69Å; I9-A91 HydrophobicContact CD1-CB 3.94Å; I9-A91 HydrophobicContact CG2-CB 3.97Å; I9-V95 HydrophobicContact CD1-CG2 3.51Å
10P92.8Very high90.7Very high27 Ų2791.1 Ų91.118%0.17542%0.417CS..SBendcis-84-11.22.735.5-34.5000113.6Y29 A32 A33 M36 V87P10-Y29 VanDerWaalsContact CD-CE2 3.46Å; P10-Y29 HydrophobicContact CG-CD2 4.28Å; P10-Y29 HydrophobicContact CG-CE2 4.04Å; P10-A32 HydrophobicContact CB-CB 3.92Å; P10-A32 HydrophobicContact CG-CB 4.07Å; P10-A33 HydrophobicContact CG-CB 4.25Å; P10-M36 HydrophobicContact CB-SD 4.05Å; P10-V87 HydrophobicContact CB-CG1 4.4Å
11I93.3Very high90.8Very high39 Ų3990.7 Ų90.720%0.242%0.415CS..SBendtrans-142.314717260.6169.9000109.9D8 L13 L25 K28 Y29 A32D8-I11 CarbonylContact O-C 2.94Å; D8-I11 VanDerWaalsContact O-CA 3.32Å; D8-I11 WeakPolarHBondContact O-CA 3.24Å; D8-I11 PolarHBondContact O-N 3.42Å; I11-L13 HydrophobicContact CG1-CD2 4.36Å; I11-L13 PolarHBondContact O-N 2.93Å; I11-L25 HydrophobicContact CD1-CD1 3.74Å; I11-K28 HydrophobicContact CD1-CB 3.83Å; I11-Y29 HydrophobicContact CD1-CD2 4.33Å; I11-Y29 HydrophobicContact CG1-CD2 3.89Å; I11-A32 HydrophobicContact CG2-CB 3.65Å
12R90.9Very high90.9Very high189 Ų18985.2 Ų85.271%0.71339%0.389SS*.PPolyproline II helixtrans-67.4128.3170.6-180170.6-174.3-171.53.2110.4D8D8-R12 HydrophobicContact CB-CB 4.07Å; D8-R12 PolarHBondContact O-N 3.44Å; D8-R12 VanDerWaalsContact O-N 3.17Å; D8-R12 WeakPolarHBondContact OD1-CG 3.34Å; D8-R12 WeakPolarHBondContact OD2-CD 3.49Å; D8-R12 IonicContact OD2-NE 3.75Å
13L86.1Confident90.8Very high55 Ų5584.5 Ų84.529%0.28838%0.384SS..PPolyproline II helixtrans-85.3127.2176.7-56.7-179000109.8I11 L25 Y29 L76I11-L13 HydrophobicContact CG1-CD2 4.36Å; I11-L13 PolarHBondContact O-N 2.93Å; L13-L25 HydrophobicContact CD2-CD1 4.18Å; L13-L25 HydrophobicContact CD2-CD2 3.99Å; L13-L25 HydrophobicContact CD2-CG 4.22Å; L13-Y29 HydrophobicContact CD2-CD2 4.17Å; L13-L76 HydrophobicContact CD2-CD2 4.38Å
14S82.1Confident90.8Very high82 Ų8285.2 Ų85.257%0.57339%0.39SS*.PPolyproline II helixtrans-102.4157.4175.657.10000111I16S14-I16 PolarHBondContact O-N 3.17Å
15R82.3Confident91Very high233 Ų23380 Ų8088%0.87937%0.366SS*.PPolyproline II helixtrans-64.9122174.1-173176.7-178179.72.4109.8
16I86.8Confident91Very high20 Ų2077.8 Ų77.810%0.10335%0.353CS..PPolyproline II helixtrans-92.6126.6-177.3-66.7165.2000111.3S14 Y18 E21 A22 L25 K69 M73S14-I16 PolarHBondContact O-N 3.17Å; I16-Y18 VanDerWaalsContact CG2-O 3.29Å; I16-Y18 WeakPolarHBondContact CG2-O 3.31Å; I16-E21 HydrophobicContact CG2-CB 3.88Å; I16-A22 HydrophobicContact CD1-CB 4.16Å; I16-A22 HydrophobicContact CG2-CB 3.9Å; I16-L25 HydrophobicContact CD1-CB 4.02Å; I16-L25 HydrophobicContact CD1-CD2 3.34Å; I16-L25 HydrophobicContact CD1-CG 4.3Å; I16-L25 HydrophobicContact CG1-CD2 3.96Å; I16-K69 PolarHBondContact O-NZ 2.86Å; I16-K69 VanDerWaalsContact O-NZ 3.09Å; I16-M73 HydrophobicContact CB-SD 4.42Å; I16-M73 HydrophobicContact CD1-CE 4.26Å; I16-M73 HydrophobicContact CD1-SD 3.28Å; I16-M73 WeakPolarHBondContact CD1-SD 3.48Å; I16-M73 HydrophobicContact CG1-SD 4.4Å
17K86.5Confident91.1Very high144 Ų14481 Ų8163%0.62637%0.367SS*.  trans-96.8-46.2175.7-66.7-177.1-178.9-179.90111E21 K69K17-E21 PolarHBondContact N-OE2 2.91Å; K17-K69 PolarHBondContact O-NZ 3.46Å
18Y90.9Very high91.3Very high155 Ų15582.6 Ų82.661%0.60837%0.369SS*.SBendtrans-111.8154.7-169.3-54.3-74.3000113.5I16 E20 E21 A22I16-Y18 VanDerWaalsContact CG2-O 3.29Å; I16-Y18 WeakPolarHBondContact CG2-O 3.31Å; Y18-E20 VanDerWaalsContact C-N 3.33Å; Y18-E20 PolarHBondContact O-N 2.79Å; Y18-E21 HydrophobicContact CD2-CG 4.47Å; Y18-E21 PolarHBondContact N-OE2 3.39Å; Y18-E21 VanDerWaalsContact N-OE2 3.14Å; Y18-E21 WeakPolarHBondContact O-CB 3.38Å; Y18-E21 PolarHBondContact O-N 2.81Å; Y18-E21 VanDerWaalsContact O-N 3.14Å; Y18-A22 PolarHBondContact O-N 3.25Å
19K91.5Very high91.4Very high76 Ų7679.5 Ų79.533%0.3335%0.352SS..Hα-helixtrans-53.5-46.3177172.4175.8158.2164.60112.7E21 A22 R23 A67 K69 Y72K19-E21 VanDerWaalsContact C-N 3.27Å; K19-E21 PolarHBondContact O-N 3.19Å; K19-A22 WeakPolarHBondContact O-CB 3.28Å; K19-A22 PolarHBondContact O-N 3.48Å; K19-A22 VanDerWaalsContact O-N 3.12Å; K19-R23 PolarHBondContact O-N 3.06Å; K19-A67 WeakPolarHBondContact CE-O 3.2Å; K19-A67 PolarHBondContact NZ-O 3.24Å; K19-K69 HydrophobicContact CB-CB 4.18Å; K19-Y72 HydrophobicContact CD-CE2 4.49Å; K19-Y72 HydrophobicContact CG-CD2 4.25Å; K19-Y72 HydrophobicContact CG-CE2 3.88Å
20E91.4Very high91.6Very high103 Ų10377.7 Ų77.748%0.48134%0.343SS..Hα-helixtrans-64.8-30.7-179.8-69.7-54.4131.500113.3Y18 K24Y18-E20 VanDerWaalsContact C-N 3.33Å; Y18-E20 PolarHBondContact O-N 2.79Å; E20-K24 WeakPolarHBondContact O-CB 3.35Å; E20-K24 VanDerWaalsContact O-CG 3.22Å; E20-K24 WeakPolarHBondContact O-CG 3.34Å; E20-K24 PolarHBondContact O-N 3.28Å; E20-K24 VanDerWaalsContact O-N 3.07Å
21E93.1Very high91.8Very high82 Ų8281.2 Ų81.238%0.38336%0.357SS..Hα-helixtrans-69.5-39.8173.6-67.7175.4164.700111I16 K17 Y18 K19 K24 L25I16-E21 HydrophobicContact CG2-CB 3.88Å; K17-E21 PolarHBondContact N-OE2 2.91Å; Y18-E21 HydrophobicContact CD2-CG 4.47Å; Y18-E21 PolarHBondContact N-OE2 3.39Å; Y18-E21 VanDerWaalsContact N-OE2 3.14Å; Y18-E21 WeakPolarHBondContact O-CB 3.38Å; Y18-E21 PolarHBondContact O-N 2.81Å; Y18-E21 VanDerWaalsContact O-N 3.14Å; K19-E21 VanDerWaalsContact C-N 3.27Å; K19-E21 PolarHBondContact O-N 3.19Å; E21-K24 PolarHBondContact O-N 3.02Å; E21-L25 WeakPolarHBondContact O-CB 3.23Å; E21-L25 PolarHBondContact O-N 3.26Å
22A92.9Very high92Very high1 Ų179.8 Ų79.81%0.00835%0.351CS..Hα-helixtrans-60.7-49.5175.900000111.3I16 Y18 K19 K24 L25 L26 K69 Y72 M73I16-A22 HydrophobicContact CD1-CB 4.16Å; I16-A22 HydrophobicContact CG2-CB 3.9Å; Y18-A22 PolarHBondContact O-N 3.25Å; K19-A22 WeakPolarHBondContact O-CB 3.28Å; K19-A22 PolarHBondContact O-N 3.48Å; K19-A22 VanDerWaalsContact O-N 3.12Å; A22-K24 VanDerWaalsContact C-N 3.34Å; A22-K24 PolarHBondContact O-N 2.83Å; A22-L25 PolarHBondContact O-N 3.36Å; A22-L26 PolarHBondContact O-N 3.48Å; A22-K69 HydrophobicContact CB-CG 4.2Å; A22-Y72 HydrophobicContact CB-CD2 4.16Å; A22-Y72 HydrophobicContact CB-CG 4.29Å; A22-M73 HydrophobicContact CB-SD 4.42Å
23R93.9Very high92.2Very high62 Ų6270.8 Ų70.823%0.23432%0.317CS..Hα-helixtrans-56.7-46.7176.4-173.1-179.9172.298.1-1111.7K19 F27 L61 D64 Y72K19-R23 PolarHBondContact O-N 3.06Å; R23-F27 PolarHBondContact O-N 3.42Å; R23-F27 VanDerWaalsContact O-N 3.09Å; R23-L61 HydrophobicContact CG-CD2 3.86Å; R23-L61 PolarHBondContact NH1-O 3.04Å; R23-L61 PolarHBondContact NH2-O 2.87Å; R23-D64 PolarHBondContact NH1-O 2.86Å; R23-Y72 HydrophobicContact CB-CD1 4.26Å; R23-Y72 HydrophobicContact CB-CD2 4.02Å; R23-Y72 HydrophobicContact CB-CE1 4.06Å; R23-Y72 HydrophobicContact CB-CE2 3.8Å; R23-Y72 HydrophobicContact CB-CG 4.27Å; R23-Y72 HydrophobicContact CG-CD1 4.42Å; R23-Y72 HydrophobicContact CG-CE1 3.86Å; R23-Y72 HydrophobicContact CG-CE2 4.29Å; R23-Y72 PolarHBondContact NH1-OH 2.94Å
24K93.1Very high92.7Very high133 Ų13370.7 Ų70.758%0.57831%0.314SS*.Hα-helixtrans-64.4-40.7178-75.9173.2-175.2176.70112.3E20 E21 A22 K28E20-K24 WeakPolarHBondContact O-CB 3.35Å; E20-K24 VanDerWaalsContact O-CG 3.22Å; E20-K24 WeakPolarHBondContact O-CG 3.34Å; E20-K24 PolarHBondContact O-N 3.28Å; E20-K24 VanDerWaalsContact O-N 3.07Å; E21-K24 PolarHBondContact O-N 3.02Å; A22-K24 VanDerWaalsContact C-N 3.34Å; A22-K24 PolarHBondContact O-N 2.83Å; K24-K28 WeakPolarHBondContact O-CB 3.22Å; K24-K28 VanDerWaalsContact O-CG 3.28Å; K24-K28 WeakPolarHBondContact O-CG 3.32Å; K24-K28 PolarHBondContact O-N 2.86Å
25L94.3Very high93.4Very high17 Ų1775.4 Ų75.49%0.08932%0.32CS..Hα-helixtrans-67-45.1179.7-172.864.1000111.2I11 L13 I16 E21 A22 F27 K28 Y29 L76I11-L25 HydrophobicContact CD1-CD1 3.74Å; L13-L25 HydrophobicContact CD2-CD1 4.18Å; L13-L25 HydrophobicContact CD2-CD2 3.99Å; L13-L25 HydrophobicContact CD2-CG 4.22Å; I16-L25 HydrophobicContact CD1-CB 4.02Å; I16-L25 HydrophobicContact CD1-CD2 3.34Å; I16-L25 HydrophobicContact CD1-CG 4.3Å; I16-L25 HydrophobicContact CG1-CD2 3.96Å; E21-L25 WeakPolarHBondContact O-CB 3.23Å; E21-L25 PolarHBondContact O-N 3.26Å; A22-L25 PolarHBondContact O-N 3.36Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 3.4Å; L25-K28 PolarHBondContact O-N 3.39Å; L25-Y29 WeakPolarHBondContact O-CB 3.49Å; L25-Y29 PolarHBondContact O-N 3.2Å; L25-L76 HydrophobicContact CD2-CD2 3.87Å; L25-L76 HydrophobicContact CG-CD2 4.15Å
26L95.7Very high94Very high0 Ų065.5 Ų65.50%028%0.283CS..Hα-helixtrans-56.4-48.6175.3176.660.3000111.5A22 Y29 A30 T57 W60 L61 Y72 R75 L76 L79A22-L26 PolarHBondContact O-N 3.48Å; L26-Y29 PolarHBondContact O-N 3.15Å; L26-A30 PolarHBondContact O-N 3.49Å; L26-T57 HydrophobicContact CD1-CG2 3.64Å; L26-T57 HydrophobicContact CD2-CG2 3.98Å; L26-T57 HydrophobicContact CG-CG2 3.73Å; L26-W60 HydrophobicContact CD2-CE3 4.45Å; L26-W60 HydrophobicContact CD2-CZ3 3.92Å; L26-L61 HydrophobicContact CD2-CD1 4.45Å; L26-L61 HydrophobicContact CD2-CD2 4.09Å; L26-L61 HydrophobicContact CD2-CG 4.36Å; L26-L61 HydrophobicContact CG-CD1 4.35Å; L26-Y72 HydrophobicContact CD2-CD1 3.97Å; L26-R75 HydrophobicContact CD2-CB 4.03Å; L26-R75 HydrophobicContact CD2-CG 4.21Å; L26-L76 HydrophobicContact CD1-CB 3.89Å; L26-L76 HydrophobicContact CD1-CD1 4.21Å; L26-L79 HydrophobicContact CD1-CD2 4.09Å
27F95.6Very high94.4Very high86 Ų8664.6 Ų64.638%0.37728%0.279SS..Hα-helixtrans-59.3-49.3176.9-178.9-93.5000111.9R23 L25 Y29 A30 E31 M58 L61R23-F27 PolarHBondContact O-N 3.42Å; R23-F27 VanDerWaalsContact O-N 3.09Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 3.4Å; F27-Y29 VanDerWaalsContact C-N 3.3Å; F27-Y29 PolarHBondContact O-N 3.46Å; F27-A30 PolarHBondContact O-N 2.98Å; F27-E31 HydrophobicContact CE1-CB 4.45Å; F27-E31 WeakPolarHBondContact O-CB 3.38Å; F27-E31 PolarHBondContact O-N 3.27Å; F27-M58 HydrophobicContact CD2-CG 4.49Å; F27-M58 HydrophobicContact CE2-CG 4.33Å; F27-L61 HydrophobicContact CB-CD1 3.9Å; F27-L61 HydrophobicContact CD2-CD1 4.01Å; F27-L61 HydrophobicContact CG-CD1 4.48Å
28K96.2Very high94.7Very high123 Ų12360.7 Ų60.754%0.53527%0.265SS..Hα-helixtrans-59.6-39.9178.8-77.3179177.7-174.30112.2I11 K24 L25 A32I11-K28 HydrophobicContact CD1-CB 3.83Å; K24-K28 WeakPolarHBondContact O-CB 3.22Å; K24-K28 VanDerWaalsContact O-CG 3.28Å; K24-K28 WeakPolarHBondContact O-CG 3.32Å; K24-K28 PolarHBondContact O-N 2.86Å; L25-K28 PolarHBondContact O-N 3.39Å; K28-A32 WeakPolarHBondContact O-CB 3.4Å; K28-A32 PolarHBondContact O-N 3.13Å
29Y96.8Very high94.8Very high4 Ų457.7 Ų57.72%0.01627%0.266CS..Hα-helixtrans-64.4-50.5178.1-172.5-82.2000110.8P10 I11 L13 L25 L26 F27 E31 A32 A33 L76 L79 R80P10-Y29 VanDerWaalsContact CD-CE2 3.46Å; P10-Y29 HydrophobicContact CG-CD2 4.28Å; P10-Y29 HydrophobicContact CG-CE2 4.04Å; I11-Y29 HydrophobicContact CD1-CD2 4.33Å; I11-Y29 HydrophobicContact CG1-CD2 3.89Å; L13-Y29 HydrophobicContact CD2-CD2 4.17Å; L25-Y29 WeakPolarHBondContact O-CB 3.49Å; L25-Y29 PolarHBondContact O-N 3.2Å; L26-Y29 PolarHBondContact O-N 3.15Å; F27-Y29 VanDerWaalsContact C-N 3.3Å; F27-Y29 PolarHBondContact O-N 3.46Å; Y29-E31 VanDerWaalsContact C-N 3.34Å; Y29-E31 PolarHBondContact O-N 3.36Å; Y29-A32 PolarHBondContact O-N 3.26Å; Y29-A33 HydrophobicContact CE1-CB 4.44Å; Y29-A33 WeakPolarHBondContact O-CB 3.26Å; Y29-A33 PolarHBondContact O-N 2.98Å; Y29-L76 HydrophobicContact CD1-CD1 4.14Å; Y29-L76 HydrophobicContact CD2-CD1 4.08Å; Y29-L76 HydrophobicContact CG-CD1 3.7Å; Y29-L79 HydrophobicContact CD1-CD2 3.72Å; Y29-L79 HydrophobicContact CD1-CG 4.04Å; Y29-L79 HydrophobicContact CE1-CD2 4.3Å; Y29-L79 HydrophobicContact CE1-CG 4.12Å; Y29-R80 HydrophobicContact CE2-CG 4.48Å
30A97.1Very high94.9Very high0 Ų058.1 Ų58.10%027%0.266CS..Hα-helixtrans-59-44.7178.700000111.9L26 F27 K34 A54 T57 M58 L79L26-A30 PolarHBondContact O-N 3.49Å; F27-A30 PolarHBondContact O-N 2.98Å; A30-K34 WeakPolarHBondContact O-CB 3.48Å; A30-K34 PolarHBondContact O-N 2.72Å; A30-A54 HydrophobicContact CB-CB 4.33Å; A30-T57 HydrophobicContact CB-CG2 4.31Å; A30-M58 HydrophobicContact CB-CE 4.1Å; A30-M58 HydrophobicContact CB-CG 4.43Å; A30-L79 HydrophobicContact CB-CD2 3.75Å
31E97.3Very high94.9Very high101 Ų10160.9 Ų60.947%0.47228%0.284SS..Hα-helixtrans-63-46.8176.9-175.4-179.8-136.300111.9F27 Y29 K34 R35 M58F27-E31 HydrophobicContact CE1-CB 4.45Å; F27-E31 WeakPolarHBondContact O-CB 3.38Å; F27-E31 PolarHBondContact O-N 3.27Å; Y29-E31 VanDerWaalsContact C-N 3.34Å; Y29-E31 PolarHBondContact O-N 3.36Å; E31-K34 PolarHBondContact O-N 2.98Å; E31-R35 WeakPolarHBondContact O-CB 3.46Å; E31-R35 PolarHBondContact O-N 3.28Å; E31-M58 VanDerWaalsContact CA-CE 3.42Å; E31-M58 HydrophobicContact CB-CE 3.78Å; E31-M58 HydrophobicContact CG-CE 4.46Å
32A96.8Very high94.9Very high9 Ų958.2 Ų58.27%0.07428%0.276CS..Hα-helixtrans-65.9-41.1-179.900000112.1P10 I11 K28 Y29 R35 M36P10-A32 HydrophobicContact CB-CB 3.92Å; P10-A32 HydrophobicContact CG-CB 4.07Å; I11-A32 HydrophobicContact CG2-CB 3.65Å; K28-A32 WeakPolarHBondContact O-CB 3.4Å; K28-A32 PolarHBondContact O-N 3.13Å; Y29-A32 PolarHBondContact O-N 3.26Å; A32-R35 PolarHBondContact O-N 3.26Å; A32-M36 VanDerWaalsContact O-CB 3.25Å; A32-M36 WeakPolarHBondContact O-CB 3.42Å; A32-M36 PolarHBondContact O-N 3.17Å
33A96.6Very high95Very high0 Ų061 Ų610%030%0.296CS..Hα-helixtrans-61.6-47.2175.500000111.4P10 Y29 M36 I37 V50 V87P10-A33 HydrophobicContact CG-CB 4.25Å; Y29-A33 HydrophobicContact CE1-CB 4.44Å; Y29-A33 WeakPolarHBondContact O-CB 3.26Å; Y29-A33 PolarHBondContact O-N 2.98Å; A33-M36 PolarHBondContact O-N 3.24Å; A33-I37 PolarHBondContact O-N 3.17Å; A33-V50 HydrophobicContact CB-CG1 4.1Å; A33-V87 HydrophobicContact CB-CG2 4.23Å
34K96.1Very high95.1Very high54 Ų5463.7 Ų63.724%0.23532%0.321CS..Hα-helixtrans-61.5-47.2175.7179.4170.5171.8168.50111.8A30 E31 M36 I37 D38 A54 E55A30-K34 WeakPolarHBondContact O-CB 3.48Å; A30-K34 PolarHBondContact O-N 2.72Å; E31-K34 PolarHBondContact O-N 2.98Å; K34-M36 VanDerWaalsContact C-N 3.31Å; K34-M36 PolarHBondContact O-N 2.92Å; K34-I37 WeakPolarHBondContact O-CG2 3.29Å; K34-I37 PolarHBondContact O-N 2.92Å; K34-D38 WeakPolarHBondContact O-CB 3.39Å; K34-D38 PolarHBondContact O-N 3.28Å; K34-A54 HydrophobicContact CB-CB 4Å; K34-E55 IonicContact NZ-OE1 2.64Å; K34-E55 PolarHBondContact NZ-OE1 3.37Å
35R96.4Very high95.2Very high181 Ų18163 Ų6368%0.68332%0.32SS*.Hα-helixtrans-60.9-40.8177.7-172.1-178.371-175.11.4112.1E31 A32 D38 S39E31-R35 WeakPolarHBondContact O-CB 3.46Å; E31-R35 PolarHBondContact O-N 3.28Å; A32-R35 PolarHBondContact O-N 3.26Å; R35-D38 PolarHBondContact O-N 3.48Å; R35-S39 WeakPolarHBondContact O-CB 3.45Å; R35-S39 PolarHBondContact O-N 2.81Å; R35-S39 PolarHBondContact O-OG 2.78Å
36M94.6Very high95.2Very high24 Ų2462.8 Ų62.812%0.11832%0.32CS..Hα-helixtrans-65.3-45179.1-170.5169-166.100111.8I9 P10 A32 A33 K34 D38 S39 R40 V87 A91I9-M36 HydrophobicContact CG2-CE 3.73Å; I9-M36 HydrophobicContact CG2-SD 3.76Å; P10-M36 HydrophobicContact CB-SD 4.05Å; A32-M36 VanDerWaalsContact O-CB 3.25Å; A32-M36 WeakPolarHBondContact O-CB 3.42Å; A32-M36 PolarHBondContact O-N 3.17Å; A33-M36 PolarHBondContact O-N 3.24Å; K34-M36 VanDerWaalsContact C-N 3.31Å; K34-M36 PolarHBondContact O-N 2.92Å; M36-D38 VanDerWaalsContact C-N 3.26Å; M36-D38 PolarHBondContact O-N 2.86Å; M36-S39 PolarHBondContact O-OG 2.85Å; M36-R40 WeakPolarHBondContact O-CB 3.35Å; M36-R40 PolarHBondContact O-N 3.34Å; M36-R40 VanDerWaalsContact O-N 3.16Å; M36-V87 HydrophobicContact SD-CG1 3.76Å; M36-A91 HydrophobicContact CE-CB 3.6Å
37I95.4Very high95.2Very high2 Ų266.3 Ų66.31%0.0133%0.333CS..Hα-helixtrans-69.1-27.5178.2-148.568.4000112.3A33 K34 A42 R47 V50 K51 V90A33-I37 PolarHBondContact O-N 3.17Å; K34-I37 WeakPolarHBondContact O-CG2 3.29Å; K34-I37 PolarHBondContact O-N 2.92Å; I37-A42 HydrophobicContact CD1-CB 3.46Å; I37-A42 VanDerWaalsContact CD1-CB 3.46Å; I37-A42 HydrophobicContact CG1-CB 3.93Å; I37-R47 HydrophobicContact CG1-CB 4.28Å; I37-R47 HydrophobicContact CG1-CG 4.49Å; I37-R47 PolarHBondContact O-NH1 3.18Å; I37-R47 PolarHBondContact O-NH2 3.07Å; I37-V50 HydrophobicContact CB-CB 4.26Å; I37-V50 HydrophobicContact CB-CG1 4.03Å; I37-V50 HydrophobicContact CD1-CG2 4.28Å; I37-V50 HydrophobicContact CG1-CB 4.13Å; I37-V50 HydrophobicContact CG1-CG1 4.44Å; I37-V50 HydrophobicContact CG1-CG2 4.36Å; I37-V50 HydrophobicContact CG2-CB 4.16Å; I37-V50 HydrophobicContact CG2-CG1 3.92Å; I37-K51 HydrophobicContact CG2-CG 4.07Å; I37-V90 HydrophobicContact CD1-CG2 3.78Å
38D93.4Very high95.2Very high62 Ų6269.3 Ų69.333%0.33235%0.346SS..Hα-helixtrans-73.8-45.1177.4-88.1-37.3000113.1K34 R35 M36 R47 K51K34-D38 WeakPolarHBondContact O-CB 3.39Å; K34-D38 PolarHBondContact O-N 3.28Å; R35-D38 PolarHBondContact O-N 3.48Å; M36-D38 VanDerWaalsContact C-N 3.26Å; M36-D38 PolarHBondContact O-N 2.86Å; D38-R47 PolarHBondContact O-NH1 2.9Å; D38-R47 IonicContact OD1-NH1 3.67Å; D38-R47 PolarHBondContact OD1-NH1 2.88Å; D38-K51 VanDerWaalsContact CG-CE 3.48Å; D38-K51 WeakPolarHBondContact OD1-CE 3.48Å; D38-K51 IonicContact OD1-NZ 3.2Å; D38-K51 PolarHBondContact OD1-NZ 3.18Å; D38-K51 IonicContact OD2-NZ 2.78Å
39S93.6Very high95.3Very high91 Ų9164.8 Ų64.864%0.63633%0.329SS*.Hα-helixtrans-83.6-16.6-173.755.40000114.8R35 M36R35-S39 WeakPolarHBondContact O-CB 3.45Å; R35-S39 PolarHBondContact O-N 2.81Å; R35-S39 PolarHBondContact O-OG 2.78Å; M36-S39 PolarHBondContact O-OG 2.85Å
40R92.9Very high95.3Very high85 Ų8564.6 Ų64.632%0.32133%0.328SS..SBendtrans-112161.2-177-67-171.7160.6-158.9-5112.3M36 A42 R47 V90 S94M36-R40 WeakPolarHBondContact O-CB 3.35Å; M36-R40 PolarHBondContact O-N 3.34Å; M36-R40 VanDerWaalsContact O-N 3.16Å; R40-A42 PolarHBondContact O-N 3.29Å; R40-R47 PolarHBondContact O-NH2 2.68Å; R40-R47 VanDerWaalsContact O-NH2 3.14Å; R40-V90 HydrophobicContact CB-CG1 3.37Å; R40-V90 HydrophobicContact CG-CG1 4.14Å; R40-V90 PolarHBondContact NH1-O 2.69Å; R40-S94 PolarHBondContact NH2-OG 2.75Å; R40-S94 VanDerWaalsContact NH2-OG 3.14Å
41N91.4Very high95.2Very high162 Ų16267.4 Ų67.487%0.86634%0.34SS*.  trans-67.2119.5171.6-69.3-18.5000108.9
42A93.3Very high95.2Very high26 Ų2670.2 Ų70.222%0.21535%0.346CS..  trans-143.2148-17900000108.7I37 R40 V90I37-A42 HydrophobicContact CD1-CB 3.46Å; I37-A42 VanDerWaalsContact CD1-CB 3.46Å; I37-A42 HydrophobicContact CG1-CB 3.93Å; R40-A42 PolarHBondContact O-N 3.29Å; A42-V90 HydrophobicContact CB-CG2 3.61Å
43S94.9Very high95.3Very high60 Ų6070.3 Ų70.342%0.4235%0.346SS..  trans-61.3151.2173.7670000110.7E45 S46 R47S43-E45 PolarHBondContact O-N 3.01Å; S43-S46 PolarHBondContact O-N 3.11Å; S43-S46 WeakPolarHBondContact OG-CB 3.39Å; S43-S46 PolarHBondContact OG-N 2.84Å; S43-S46 PolarHBondContact OG-OG 2.94Å; S43-R47 PolarHBondContact O-N 2.96Å
44P95.2Very high95.3Very high117 Ų11770.3 Ų70.376%0.7635%0.346SS*.Hα-helixtrans-54.2-37.9177.2-26.935000112.7R47 K48P44-R47 PolarHBondContact O-N 2.91Å; P44-K48 WeakPolarHBondContact O-CB 3.49Å; P44-K48 PolarHBondContact O-N 3.13Å
45E94.9Very high95.3Very high118 Ų11871.4 Ų71.455%0.55135%0.352SS*.Hα-helixtrans-64.3-53.1177.4-171.160.7-159.900111.8S43 R47 K48 V49S43-E45 PolarHBondContact O-N 3.01Å; E45-R47 PolarHBondContact O-N 2.98Å; E45-K48 PolarHBondContact O-N 3.24Å; E45-K48 VanDerWaalsContact O-N 3.09Å; E45-V49 WeakPolarHBondContact O-CG2 3.49Å; E45-V49 PolarHBondContact O-N 3.32Å
46S94.6Very high95.3Very high13 Ų1365.5 Ų65.59%0.09133%0.334CS..Hα-helixtrans-57-39.6176.3-67.20000111.9S43 V50 H86S43-S46 PolarHBondContact O-N 3.11Å; S43-S46 WeakPolarHBondContact OG-CB 3.39Å; S43-S46 PolarHBondContact OG-N 2.84Å; S43-S46 PolarHBondContact OG-OG 2.94Å; S46-V50 WeakPolarHBondContact O-CB 3.35Å; S46-V50 VanDerWaalsContact O-CG2 3.32Å; S46-V50 WeakPolarHBondContact O-CG2 3.44Å; S46-V50 PolarHBondContact O-N 2.87Å; S46-H86 WeakPolarHBondContact CB-ND1 3.46Å; S46-H86 PolarHBondContact OG-ND1 3.36Å
47R95.8Very high95.4Very high74 Ų7464.5 Ų64.528%0.27933%0.329SS..Hα-helixtrans-63.3-44.7177-170.4177.5-66.1-102.4-3.9111.7I37 D38 R40 S43 P44 E45 K51I37-R47 HydrophobicContact CG1-CB 4.28Å; I37-R47 HydrophobicContact CG1-CG 4.49Å; I37-R47 PolarHBondContact O-NH1 3.18Å; I37-R47 PolarHBondContact O-NH2 3.07Å; D38-R47 PolarHBondContact O-NH1 2.9Å; D38-R47 IonicContact OD1-NH1 3.67Å; D38-R47 PolarHBondContact OD1-NH1 2.88Å; R40-R47 PolarHBondContact O-NH2 2.68Å; R40-R47 VanDerWaalsContact O-NH2 3.14Å; S43-R47 PolarHBondContact O-N 2.96Å; P44-R47 PolarHBondContact O-N 2.91Å; E45-R47 PolarHBondContact O-N 2.98Å; R47-K51 HydrophobicContact CG-CD 4.12Å; R47-K51 VanDerWaalsContact O-CB 3.25Å; R47-K51 WeakPolarHBondContact O-CB 3.38Å; R47-K51 WeakPolarHBondContact O-CG 3.28Å; R47-K51 PolarHBondContact O-N 3.3Å; R47-K51 VanDerWaalsContact O-N 3.13Å
48K96.5Very high95.4Very high149 Ų14965.8 Ų65.865%0.64834%0.335SS*.Hα-helixtrans-64.1-49.7178.3-174.8-176.9176-170.80111.3P44 E45 W52P44-K48 WeakPolarHBondContact O-CB 3.49Å; P44-K48 PolarHBondContact O-N 3.13Å; E45-K48 PolarHBondContact O-N 3.24Å; E45-K48 VanDerWaalsContact O-N 3.09Å; K48-W52 VanDerWaalsContact O-CB 3.3Å; K48-W52 WeakPolarHBondContact O-CB 3.45Å; K48-W52 PolarHBondContact O-N 3.18Å
49V96.8Very high95.5Very high29 Ų2965.6 Ų65.618%0.17633%0.334CS..Hα-helixtrans-61.3-51.3-177.6174.70000111.4E45 K51 W52 N53E45-V49 WeakPolarHBondContact O-CG2 3.49Å; E45-V49 PolarHBondContact O-N 3.32Å; V49-K51 PolarHBondContact O-N 2.79Å; V49-W52 PolarHBondContact O-N 3.45Å; V49-N53 PolarHBondContact O-N 2.91Å; V49-N53 VanDerWaalsContact O-N 3.1Å; V49-N53 PolarHBondContact O-ND2 3.3Å
50V96.8Very high95.6Very high0 Ų063.4 Ų63.40%031%0.312CS..Hα-helixtrans-65.4-43.3-177.9174.30000111.2A33 I37 S46 A54 C83 H86A33-V50 HydrophobicContact CB-CG1 4.1Å; I37-V50 HydrophobicContact CB-CB 4.26Å; I37-V50 HydrophobicContact CB-CG1 4.03Å; I37-V50 HydrophobicContact CD1-CG2 4.28Å; I37-V50 HydrophobicContact CG1-CB 4.13Å; I37-V50 HydrophobicContact CG1-CG1 4.44Å; I37-V50 HydrophobicContact CG1-CG2 4.36Å; I37-V50 HydrophobicContact CG2-CB 4.16Å; I37-V50 HydrophobicContact CG2-CG1 3.92Å; S46-V50 WeakPolarHBondContact O-CB 3.35Å; S46-V50 VanDerWaalsContact O-CG2 3.32Å; S46-V50 WeakPolarHBondContact O-CG2 3.44Å; S46-V50 PolarHBondContact O-N 2.87Å; V50-A54 VanDerWaalsContact O-CB 3.24Å; V50-A54 WeakPolarHBondContact O-CB 3.48Å; V50-A54 PolarHBondContact O-N 3.01Å; V50-C83 HydrophobicContact CG2-CB 4.27Å; V50-H86 HydrophobicContact CG2-CB 3.56Å
51K96.7Very high95.7Very high58 Ų5859.7 Ų59.725%0.25230%0.298SS..Hα-helixtrans-61.7-47.2178.6-78.4-173.9176.6-161.60112.2I37 D38 R47 V49 A54 E55I37-K51 HydrophobicContact CG2-CG 4.07Å; D38-K51 VanDerWaalsContact CG-CE 3.48Å; D38-K51 WeakPolarHBondContact OD1-CE 3.48Å; D38-K51 IonicContact OD1-NZ 3.2Å; D38-K51 PolarHBondContact OD1-NZ 3.18Å; D38-K51 IonicContact OD2-NZ 2.78Å; R47-K51 HydrophobicContact CG-CD 4.12Å; R47-K51 VanDerWaalsContact O-CB 3.25Å; R47-K51 WeakPolarHBondContact O-CB 3.38Å; R47-K51 WeakPolarHBondContact O-CG 3.28Å; R47-K51 PolarHBondContact O-N 3.3Å; R47-K51 VanDerWaalsContact O-N 3.13Å; V49-K51 PolarHBondContact O-N 2.79Å; K51-A54 PolarHBondContact O-N 3.47Å; K51-E55 VanDerWaalsContact O-CB 3.32Å; K51-E55 WeakPolarHBondContact O-CB 3.4Å; K51-E55 VanDerWaalsContact O-CG 3.28Å; K51-E55 WeakPolarHBondContact O-CG 3.47Å; K51-E55 PolarHBondContact O-N 3.33Å
52W97.5Very high95.7Very high160 Ų16059.8 Ų59.861%0.60629%0.287SS*.Hα-helixtrans-61.3-48.9-178.6-177.385.8000111.2K48 V49 A54 E55 D56K48-W52 VanDerWaalsContact O-CB 3.3Å; K48-W52 WeakPolarHBondContact O-CB 3.45Å; K48-W52 PolarHBondContact O-N 3.18Å; V49-W52 PolarHBondContact O-N 3.45Å; W52-A54 PolarHBondContact O-N 3.29Å; W52-E55 PolarHBondContact O-N 3.4Å; W52-D56 WeakPolarHBondContact O-CB 3.46Å; W52-D56 PolarHBondContact O-N 3.49Å
53N97.6Very high95.5Very high11 Ų1168.3 Ų68.36%0.05931%0.313CS..Hα-helixtrans-64.5-40179.1-77.8-72.7000112.8V49 T57 L79V49-N53 PolarHBondContact O-N 2.91Å; V49-N53 VanDerWaalsContact O-N 3.1Å; V49-N53 PolarHBondContact O-ND2 3.3Å; N53-T57 WeakPolarHBondContact O-CB 3.28Å; N53-T57 PolarHBondContact O-N 3.04Å; N53-T57 PolarHBondContact O-OG1 3.41Å; N53-L79 HydrophobicContact CB-CD1 3.75Å
54A96.7Very high94.7Very high0 Ų067.5 Ų67.50%031%0.305CS..Hα-helixtrans-65.8-42.8176.600000111.7A30 K34 V50 K51 W52 T57 M58A30-A54 HydrophobicContact CB-CB 4.33Å; K34-A54 HydrophobicContact CB-CB 4Å; V50-A54 VanDerWaalsContact O-CB 3.24Å; V50-A54 WeakPolarHBondContact O-CB 3.48Å; V50-A54 PolarHBondContact O-N 3.01Å; K51-A54 PolarHBondContact O-N 3.47Å; W52-A54 PolarHBondContact O-N 3.29Å; A54-T57 PolarHBondContact O-N 3.2Å; A54-M58 WeakPolarHBondContact O-CB 3.4Å; A54-M58 VanDerWaalsContact O-CG 3.27Å; A54-M58 WeakPolarHBondContact O-CG 3.21Å; A54-M58 PolarHBondContact O-N 2.96Å
55E96.3Very high93.8Very high78 Ų7868.5 Ų68.536%0.36430%0.299SS..Hα-helixtrans-69-40.7178.2-74.2173.5-179.100112.4K34 K51 W52 T57 M58 N59K34-E55 IonicContact NZ-OE1 2.64Å; K34-E55 PolarHBondContact NZ-OE1 3.37Å; K51-E55 VanDerWaalsContact O-CB 3.32Å; K51-E55 WeakPolarHBondContact O-CB 3.4Å; K51-E55 VanDerWaalsContact O-CG 3.28Å; K51-E55 WeakPolarHBondContact O-CG 3.47Å; K51-E55 PolarHBondContact O-N 3.33Å; W52-E55 PolarHBondContact O-N 3.4Å; E55-T57 VanDerWaalsContact C-N 3.34Å; E55-T57 PolarHBondContact O-N 2.93Å; E55-M58 PolarHBondContact O-N 3.05Å; E55-N59 VanDerWaalsContact O-CB 3.32Å; E55-N59 WeakPolarHBondContact O-CB 3.46Å; E55-N59 PolarHBondContact O-N 2.6Å; E55-N59 PolarHBondContact O-ND2 3.39Å; E55-N59 VanDerWaalsContact O-ND2 3.12Å
56D96.8Very high93.3Very high56 Ų5667.8 Ų67.830%0.29931%0.307SS..Hα-helixtrans-57-48.3172.2179.167.8000111W52 M58 N59 W60 R75W52-D56 WeakPolarHBondContact O-CB 3.46Å; W52-D56 PolarHBondContact O-N 3.49Å; D56-M58 PolarHBondContact O-N 3.49Å; D56-N59 WeakPolarHBondContact O-CB 3.4Å; D56-N59 PolarHBondContact O-N 3.01Å; D56-W60 WeakPolarHBondContact O-CB 3.48Å; D56-W60 PolarHBondContact O-N 3.1Å; D56-R75 IonicContact OD2-CZ 3.71Å; D56-R75 IonicContact OD2-NH2 3.44Å; D56-R75 PolarHBondContact OD2-NH2 3.02Å
57T96.5Very high93.2Very high4 Ų467.3 Ų67.33%0.02530%0.303CS..Hα-helixtrans-60.2-45.7176.6-58.90000111.7L26 A30 N53 A54 E55 N59 W60 L61 L79L26-T57 HydrophobicContact CD1-CG2 3.64Å; L26-T57 HydrophobicContact CD2-CG2 3.98Å; L26-T57 HydrophobicContact CG-CG2 3.73Å; A30-T57 HydrophobicContact CB-CG2 4.31Å; N53-T57 WeakPolarHBondContact O-CB 3.28Å; N53-T57 PolarHBondContact O-N 3.04Å; N53-T57 PolarHBondContact O-OG1 3.41Å; A54-T57 PolarHBondContact O-N 3.2Å; E55-T57 VanDerWaalsContact C-N 3.34Å; E55-T57 PolarHBondContact O-N 2.93Å; T57-N59 VanDerWaalsContact C-N 3.32Å; T57-N59 PolarHBondContact O-N 2.57Å; T57-W60 PolarHBondContact O-N 3.24Å; T57-L61 HydrophobicContact CG2-CD1 4.39Å; T57-L61 WeakPolarHBondContact O-CB 3.42Å; T57-L61 WeakPolarHBondContact O-CG 3.33Å; T57-L61 PolarHBondContact O-N 2.86Å; T57-L79 HydrophobicContact CG2-CD2 4.14Å
58M95.3Very high93.1Very high29 Ų2965.6 Ų65.614%0.14330%0.303CS..Hα-helixtrans-66.6-31.7177.6-72.1180-174.800113.1F27 A30 E31 A54 E55 D56 R62F27-M58 HydrophobicContact CD2-CG 4.49Å; F27-M58 HydrophobicContact CE2-CG 4.33Å; A30-M58 HydrophobicContact CB-CE 4.1Å; A30-M58 HydrophobicContact CB-CG 4.43Å; E31-M58 VanDerWaalsContact CA-CE 3.42Å; E31-M58 HydrophobicContact CB-CE 3.78Å; E31-M58 HydrophobicContact CG-CE 4.46Å; A54-M58 WeakPolarHBondContact O-CB 3.4Å; A54-M58 VanDerWaalsContact O-CG 3.27Å; A54-M58 WeakPolarHBondContact O-CG 3.21Å; A54-M58 PolarHBondContact O-N 2.96Å; E55-M58 PolarHBondContact O-N 3.05Å; D56-M58 PolarHBondContact O-N 3.49Å; M58-R62 PolarHBondContact O-N 2.77Å; M58-R62 PolarHBondContact O-NE 2.87Å; M58-R62 VanDerWaalsContact O-NE 3.16Å
59N95.4Very high93Very high58 Ų5861.3 Ų61.331%0.3128%0.284SS..Hα-helixtrans-70.8-43.5174-73.9-32000110.7E55 D56 T57 R62 R63E55-N59 VanDerWaalsContact O-CB 3.32Å; E55-N59 WeakPolarHBondContact O-CB 3.46Å; E55-N59 PolarHBondContact O-N 2.6Å; E55-N59 PolarHBondContact O-ND2 3.39Å; E55-N59 VanDerWaalsContact O-ND2 3.12Å; D56-N59 WeakPolarHBondContact O-CB 3.4Å; D56-N59 PolarHBondContact O-N 3.01Å; T57-N59 VanDerWaalsContact C-N 3.32Å; T57-N59 PolarHBondContact O-N 2.57Å; N59-R62 WeakPolarHBondContact O-CB 3.37Å; N59-R62 PolarHBondContact O-N 2.86Å; N59-R62 VanDerWaalsContact O-N 3.16Å; N59-R62 PolarHBondContact OD1-NH1 2.76Å; N59-R62 PolarHBondContact OD1-NH2 3.01Å; N59-R63 WeakPolarHBondContact O-CG 3.24Å; N59-R63 PolarHBondContact O-N 2.9Å
60W95.6Very high92.8Very high44 Ų4465.3 Ų65.317%0.16730%0.301CS..Hα-helixtrans-61-45.9176.3176.481000111.4L26 D56 T57 R62 R63 D64 A67 D71 Y72 R75L26-W60 HydrophobicContact CD2-CE3 4.45Å; L26-W60 HydrophobicContact CD2-CZ3 3.92Å; D56-W60 WeakPolarHBondContact O-CB 3.48Å; D56-W60 PolarHBondContact O-N 3.1Å; T57-W60 PolarHBondContact O-N 3.24Å; W60-R62 PolarHBondContact O-N 2.86Å; W60-R62 VanDerWaalsContact O-N 3.14Å; W60-R63 PolarHBondContact O-N 2.87Å; W60-D64 HydrophobicContact CZ2-CB 4.32Å; W60-D64 PolarHBondContact O-N 2.9Å; W60-A67 HydrophobicContact CH2-CB 3.59Å; W60-A67 HydrophobicContact CZ2-CB 3.64Å; W60-D71 HydrophobicContact CH2-CB 4.47Å; W60-Y72 AromaticContact CH2-CD1 3.61Å; W60-Y72 HydrophobicContact CH2-CD1 3.61Å; W60-Y72 AromaticContact CH2-CE1 3.57Å; W60-Y72 HydrophobicContact CH2-CE1 3.57Å; W60-Y72 AromaticContact CZ3-CD1 3.53Å; W60-Y72 HydrophobicContact CZ3-CD1 3.53Å; W60-Y72 AromaticContact CZ3-CE1 3.52Å; W60-Y72 HydrophobicContact CZ3-CE1 3.52Å; W60-R75 HydrophobicContact CE3-CG 4.43Å
61L94.3Very high92.7Very high7 Ų768.8 Ų68.84%0.03732%0.32CS..Hα-helixtrans-56.3-30.7174.4-78.6174.6000113.5R23 L26 F27 T57 Y72R23-L61 HydrophobicContact CG-CD2 3.86Å; R23-L61 PolarHBondContact NH1-O 3.04Å; R23-L61 PolarHBondContact NH2-O 2.87Å; L26-L61 HydrophobicContact CD2-CD1 4.45Å; L26-L61 HydrophobicContact CD2-CD2 4.09Å; L26-L61 HydrophobicContact CD2-CG 4.36Å; L26-L61 HydrophobicContact CG-CD1 4.35Å; F27-L61 HydrophobicContact CB-CD1 3.9Å; F27-L61 HydrophobicContact CD2-CD1 4.01Å; F27-L61 HydrophobicContact CG-CD1 4.48Å; T57-L61 HydrophobicContact CG2-CD1 4.39Å; T57-L61 WeakPolarHBondContact O-CB 3.42Å; T57-L61 WeakPolarHBondContact O-CG 3.33Å; T57-L61 PolarHBondContact O-N 2.86Å; L61-Y72 HydrophobicContact CD2-CD1 4Å; L61-Y72 HydrophobicContact CD2-CE1 3.58Å
62R92.4Very high92.6Very high164 Ų16466.1 Ų66.162%0.61931%0.308SS*.Hα-helixtrans-80.5-25.2177-81.7-178.4-86.7146.3-7.8113.6M58 N59 W60 H65M58-R62 PolarHBondContact O-N 2.77Å; M58-R62 PolarHBondContact O-NE 2.87Å; M58-R62 VanDerWaalsContact O-NE 3.16Å; N59-R62 WeakPolarHBondContact O-CB 3.37Å; N59-R62 PolarHBondContact O-N 2.86Å; N59-R62 VanDerWaalsContact O-N 3.16Å; N59-R62 PolarHBondContact OD1-NH1 2.76Å; N59-R62 PolarHBondContact OD1-NH2 3.01Å; W60-R62 PolarHBondContact O-N 2.86Å; W60-R62 VanDerWaalsContact O-N 3.14Å; R62-H65 PolarHBondContact O-CE1 3.12Å; R62-H65 VanDerWaalsContact O-CE1 3.25Å
63R89.4Confident92.5Very high205 Ų20562 Ų6277%0.77430%0.297SS*.Hα-helixtrans-91.6-47-176.7-69.9176.7-179.2178.90.8111.7N59 W60 H65N59-R63 WeakPolarHBondContact O-CG 3.24Å; N59-R63 PolarHBondContact O-N 2.9Å; W60-R63 PolarHBondContact O-N 2.87Å; R63-H65 PolarHBondContact O-ND1 2.82Å
64D78.3Confident92.3Very high44 Ų4466.8 Ų66.824%0.23532%0.322CS..  trans-94111.2-172.7-161.8-21.1000111.5R23 W60 S66 A67R23-D64 PolarHBondContact NH1-O 2.86Å; W60-D64 HydrophobicContact CZ2-CB 4.32Å; W60-D64 PolarHBondContact O-N 2.9Å; D64-S66 WeakPolarHBondContact OD1-CA 3.49Å; D64-S66 PolarHBondContact OD1-N 2.92Å; D64-S66 PolarHBondContact OD1-OG 2.9Å; D64-A67 PolarHBondContact OD1-N 2.76Å
65H76.1Confident92.3Very high137 Ų13769.8 Ų69.863%0.63433%0.333SS*.SBendtrans-100.1-9.9175.8-63.178.9000111.9R62 R63R62-H65 PolarHBondContact O-CE1 3.12Å; R62-H65 VanDerWaalsContact O-CE1 3.25Å; R63-H65 PolarHBondContact O-ND1 2.82Å
66S84.9Confident92.2Very high104 Ų10466.4 Ų66.473%0.72732%0.318SS*.SBendtrans-92-17.4-177.838.10000114.2D64 S68D64-S66 WeakPolarHBondContact OD1-CA 3.49Å; D64-S66 PolarHBondContact OD1-N 2.92Å; D64-S66 PolarHBondContact OD1-OG 2.9Å; S66-S68 PolarHBondContact O-N 2.88Å
67A91.9Very high92.1Very high2 Ų268 Ų682%0.01732%0.323CS..  trans-47.9135.2-177.700000114.1K19 W60 D64 D71 Y72K19-A67 WeakPolarHBondContact CE-O 3.2Å; K19-A67 PolarHBondContact NZ-O 3.24Å; W60-A67 HydrophobicContact CH2-CB 3.59Å; W60-A67 HydrophobicContact CZ2-CB 3.64Å; D64-A67 PolarHBondContact OD1-N 2.76Å; A67-D71 HydrophobicContact CB-CB 4.09Å; A67-Y72 HydrophobicContact CB-CE1 4.01Å; A67-Y72 HydrophobicContact CB-CE2 4.31Å
68S93.9Very high92.1Very high39 Ų3972 Ų7227%0.27334%0.342SS..  trans-74.7176.6177.269.50000111.9S66 E70 D71 Y72S66-S68 PolarHBondContact O-N 2.88Å; S68-E70 VanDerWaalsContact C-N 3.3Å; S68-E70 PolarHBondContact OG-N 3.4Å; S68-D71 VanDerWaalsContact CB-OD2 3.32Å; S68-D71 WeakPolarHBondContact CB-OD2 3.42Å; S68-D71 PolarHBondContact N-OD2 3.46Å; S68-D71 PolarHBondContact OG-N 2.78Å; S68-D71 VanDerWaalsContact OG-N 3.14Å; S68-D71 PolarHBondContact OG-OD2 3.33Å; S68-Y72 WeakPolarHBondContact O-CD2 3.39Å; S68-Y72 WeakPolarHBondContact O-CE2 3.45Å; S68-Y72 PolarHBondContact O-N 2.84Å
69K93.1Very high92.2Very high58 Ų5870.7 Ų70.725%0.25234%0.335SS..Hα-helixtrans-65.2-41.2174.1175.1-172.5168.1177.80110.2I16 K17 K19 A22 Y72 M73I16-K69 PolarHBondContact O-NZ 2.86Å; I16-K69 VanDerWaalsContact O-NZ 3.09Å; K17-K69 PolarHBondContact O-NZ 3.46Å; K19-K69 HydrophobicContact CB-CB 4.18Å; A22-K69 HydrophobicContact CB-CG 4.2Å; K69-Y72 PolarHBondContact O-N 3.1Å; K69-M73 WeakPolarHBondContact O-CG 3.31Å; K69-M73 PolarHBondContact O-N 3.05Å
70E93.8Very high92.1Very high113 Ų11371.9 Ų71.953%0.52834%0.335SS..Hα-helixtrans-63.5-43.9-178.3-66.663.1-139.900110.1S68 Y72 M73 D74S68-E70 VanDerWaalsContact C-N 3.3Å; S68-E70 PolarHBondContact OG-N 3.4Å; E70-Y72 VanDerWaalsContact C-N 3.29Å; E70-Y72 PolarHBondContact O-N 2.85Å; E70-M73 WeakPolarHBondContact O-CB 3.32Å; E70-M73 PolarHBondContact O-N 2.97Å; E70-D74 PolarHBondContact O-N 3.08Å
71D94.8Very high92.1Very high73 Ų7375.2 Ų75.239%0.3935%0.353SS..Hα-helixtrans-57.6-40.5175.7-61.5-44.5000112.5W60 A67 S68 M73 R75W60-D71 HydrophobicContact CH2-CB 4.47Å; A67-D71 HydrophobicContact CB-CB 4.09Å; S68-D71 VanDerWaalsContact CB-OD2 3.32Å; S68-D71 WeakPolarHBondContact CB-OD2 3.42Å; S68-D71 PolarHBondContact N-OD2 3.46Å; S68-D71 PolarHBondContact OG-N 2.78Å; S68-D71 VanDerWaalsContact OG-N 3.14Å; S68-D71 PolarHBondContact OG-OD2 3.33Å; D71-M73 VanDerWaalsContact C-N 3.35Å; D71-R75 VanDerWaalsContact O-CB 3.31Å; D71-R75 WeakPolarHBondContact O-CB 3.45Å; D71-R75 PolarHBondContact O-N 3.44Å
72Y94.9Very high92.2Very high2 Ų278.9 Ų78.91%0.00837%0.37CS..Hα-helixtrans-67-36.1176.2-67.4-53.6000112.6K19 A22 R23 L26 W60 L61 A67 S68 K69 E70 L76K19-Y72 HydrophobicContact CD-CE2 4.49Å; K19-Y72 HydrophobicContact CG-CD2 4.25Å; K19-Y72 HydrophobicContact CG-CE2 3.88Å; A22-Y72 HydrophobicContact CB-CD2 4.16Å; A22-Y72 HydrophobicContact CB-CG 4.29Å; R23-Y72 HydrophobicContact CB-CD1 4.26Å; R23-Y72 HydrophobicContact CB-CD2 4.02Å; R23-Y72 HydrophobicContact CB-CE1 4.06Å; R23-Y72 HydrophobicContact CB-CE2 3.8Å; R23-Y72 HydrophobicContact CB-CG 4.27Å; R23-Y72 HydrophobicContact CG-CD1 4.42Å; R23-Y72 HydrophobicContact CG-CE1 3.86Å; R23-Y72 HydrophobicContact CG-CE2 4.29Å; R23-Y72 PolarHBondContact NH1-OH 2.94Å; L26-Y72 HydrophobicContact CD2-CD1 3.97Å; W60-Y72 AromaticContact CH2-CD1 3.61Å; W60-Y72 HydrophobicContact CH2-CD1 3.61Å; W60-Y72 AromaticContact CH2-CE1 3.57Å; W60-Y72 HydrophobicContact CH2-CE1 3.57Å; W60-Y72 AromaticContact CZ3-CD1 3.53Å; W60-Y72 HydrophobicContact CZ3-CD1 3.53Å; W60-Y72 AromaticContact CZ3-CE1 3.52Å; W60-Y72 HydrophobicContact CZ3-CE1 3.52Å; L61-Y72 HydrophobicContact CD2-CD1 4Å; L61-Y72 HydrophobicContact CD2-CE1 3.58Å; A67-Y72 HydrophobicContact CB-CE1 4.01Å; A67-Y72 HydrophobicContact CB-CE2 4.31Å; S68-Y72 WeakPolarHBondContact O-CD2 3.39Å; S68-Y72 WeakPolarHBondContact O-CE2 3.45Å; S68-Y72 PolarHBondContact O-N 2.84Å; K69-Y72 PolarHBondContact O-N 3.1Å; E70-Y72 VanDerWaalsContact C-N 3.29Å; E70-Y72 PolarHBondContact O-N 2.85Å; Y72-L76 WeakPolarHBondContact O-CB 3.25Å; Y72-L76 PolarHBondContact O-N 3.45Å
73M93.9Very high92.3Very high75 Ų7571 Ų7137%0.36934%0.34SS..Hα-helixtrans-71.2-44.8178.9-69.4-61.8-59.800111.3I16 A22 K69 E70 D71 R75 L76 E77I16-M73 HydrophobicContact CB-SD 4.42Å; I16-M73 HydrophobicContact CD1-CE 4.26Å; I16-M73 HydrophobicContact CD1-SD 3.28Å; I16-M73 WeakPolarHBondContact CD1-SD 3.48Å; I16-M73 HydrophobicContact CG1-SD 4.4Å; A22-M73 HydrophobicContact CB-SD 4.42Å; K69-M73 WeakPolarHBondContact O-CG 3.31Å; K69-M73 PolarHBondContact O-N 3.05Å; E70-M73 WeakPolarHBondContact O-CB 3.32Å; E70-M73 PolarHBondContact O-N 2.97Å; D71-M73 VanDerWaalsContact C-N 3.35Å; M73-R75 VanDerWaalsContact C-N 3.31Å; M73-R75 PolarHBondContact O-N 2.66Å; M73-L76 WeakPolarHBondContact O-CB 3.39Å; M73-L76 PolarHBondContact O-N 3.06Å; M73-L76 VanDerWaalsContact O-N 3.16Å; M73-E77 PolarHBondContact O-N 2.88Å
74D95Very high92.5Very high110 Ų11062 Ų6259%0.58831%0.31SS*.Hα-helixtrans-63.2-41177.8-69.4-11.6000110.8E70 E77 H78E70-D74 PolarHBondContact O-N 3.08Å; D74-E77 PolarHBondContact O-N 3.37Å; D74-H78 WeakPolarHBondContact O-CB 3.46Å; D74-H78 PolarHBondContact O-N 3.3Å
75R95.6Very high93.3Very high64 Ų6464 Ų6424%0.24233%0.325CS..Hα-helixtrans-66.9-35.9175.1-158.372.2173.3-1226.9112.2L26 D56 W60 D71 M73 L79L26-R75 HydrophobicContact CD2-CB 4.03Å; L26-R75 HydrophobicContact CD2-CG 4.21Å; D56-R75 IonicContact OD2-CZ 3.71Å; D56-R75 IonicContact OD2-NH2 3.44Å; D56-R75 PolarHBondContact OD2-NH2 3.02Å; W60-R75 HydrophobicContact CE3-CG 4.43Å; D71-R75 VanDerWaalsContact O-CB 3.31Å; D71-R75 WeakPolarHBondContact O-CB 3.45Å; D71-R75 PolarHBondContact O-N 3.44Å; M73-R75 VanDerWaalsContact C-N 3.31Å; M73-R75 PolarHBondContact O-N 2.66Å; R75-L79 VanDerWaalsContact O-CB 3.25Å; R75-L79 WeakPolarHBondContact O-CB 3.42Å; R75-L79 PolarHBondContact O-N 3.29Å
76L95.1Very high94.2Very high7 Ų759.5 Ų59.54%0.03731%0.305CS..Hα-helixtrans-64.5-45.3174.6175.459.9000111.1L13 L25 L26 Y29 Y72 M73 L79 R80L13-L76 HydrophobicContact CD2-CD2 4.38Å; L25-L76 HydrophobicContact CD2-CD2 3.87Å; L25-L76 HydrophobicContact CG-CD2 4.15Å; L26-L76 HydrophobicContact CD1-CB 3.89Å; L26-L76 HydrophobicContact CD1-CD1 4.21Å; Y29-L76 HydrophobicContact CD1-CD1 4.14Å; Y29-L76 HydrophobicContact CD2-CD1 4.08Å; Y29-L76 HydrophobicContact CG-CD1 3.7Å; Y72-L76 WeakPolarHBondContact O-CB 3.25Å; Y72-L76 PolarHBondContact O-N 3.45Å; M73-L76 WeakPolarHBondContact O-CB 3.39Å; M73-L76 PolarHBondContact O-N 3.06Å; M73-L76 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 3Å; L76-R80 VanDerWaalsContact O-CB 3.3Å; L76-R80 WeakPolarHBondContact O-CB 3.33Å; L76-R80 PolarHBondContact O-N 3.48Å
77E94.4Very high94.7Very high88 Ų8854.7 Ų54.741%0.41127%0.271SS..Hα-helixtrans-63.6-45.5177.8-175.652.7-145.600110.9M73 D74 L79 R80 Q81M73-E77 PolarHBondContact O-N 2.88Å; D74-E77 PolarHBondContact O-N 3.37Å; E77-L79 PolarHBondContact O-N 3.46Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 2.99Å; E77-Q81 WeakPolarHBondContact O-CG 3.4Å; E77-Q81 PolarHBondContact O-N 3.44Å; E77-Q81 PolarHBondContact OE1-NE2 3.32Å
78H96.3Very high94.8Very high90 Ų9057.8 Ų57.842%0.41729%0.29SS..Hα-helixtrans-57.9-48.3173.8-178.572.5000112.2D74 R80 Q81 Q82D74-H78 WeakPolarHBondContact O-CB 3.46Å; D74-H78 PolarHBondContact O-N 3.3Å; H78-R80 VanDerWaalsContact C-N 3.26Å; H78-R80 PolarHBondContact O-N 3.23Å; H78-Q81 PolarHBondContact O-N 2.95Å; H78-Q82 WeakPolarHBondContact O-CG 3.47Å; H78-Q82 PolarHBondContact O-N 2.94Å
79L96.2Very high94.8Very high1 Ų158.9 Ų58.91%0.00530%0.301CS..Hα-helixtrans-60.7-38178.2-179.862.4000111.7L26 Y29 A30 N53 T57 R75 L76 E77 Q82 C83L26-L79 HydrophobicContact CD1-CD2 4.09Å; Y29-L79 HydrophobicContact CD1-CD2 3.72Å; Y29-L79 HydrophobicContact CD1-CG 4.04Å; Y29-L79 HydrophobicContact CE1-CD2 4.3Å; Y29-L79 HydrophobicContact CE1-CG 4.12Å; A30-L79 HydrophobicContact CB-CD2 3.75Å; N53-L79 HydrophobicContact CB-CD1 3.75Å; T57-L79 HydrophobicContact CG2-CD2 4.14Å; R75-L79 VanDerWaalsContact O-CB 3.25Å; R75-L79 WeakPolarHBondContact O-CB 3.42Å; R75-L79 PolarHBondContact O-N 3.29Å; L76-L79 PolarHBondContact O-N 3Å; E77-L79 PolarHBondContact O-N 3.46Å; L79-Q82 PolarHBondContact O-N 3.38Å; L79-C83 VanDerWaalsContact CD1-SG 3.53Å; L79-C83 VanDerWaalsContact O-CB 3.24Å; L79-C83 WeakPolarHBondContact O-CB 3.49Å; L79-C83 PolarHBondContact O-N 3.38Å
80R94.7Very high94.9Very high83 Ų8357.1 Ų57.131%0.31330%0.295SS..Hα-helixtrans-68.8-38.7177.4-171.9178.8-178.7-164.30.3111.8Y29 L76 E77 H78 G84Y29-R80 HydrophobicContact CE2-CG 4.48Å; L76-R80 VanDerWaalsContact O-CB 3.3Å; L76-R80 WeakPolarHBondContact O-CB 3.33Å; L76-R80 PolarHBondContact O-N 3.48Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 2.99Å; H78-R80 VanDerWaalsContact C-N 3.26Å; H78-R80 PolarHBondContact O-N 3.23Å; R80-G84 WeakPolarHBondContact O-CA 3.11Å; R80-G84 PolarHBondContact O-N 2.92Å
81Q95.2Very high95Very high114 Ų11451.7 Ų51.753%0.53327%0.27SS..Hα-helixtrans-64.9-42175-71.6172.77.800111.7E77 H78 P85E77-Q81 WeakPolarHBondContact O-CG 3.4Å; E77-Q81 PolarHBondContact O-N 3.44Å; E77-Q81 PolarHBondContact OE1-NE2 3.32Å; H78-Q81 PolarHBondContact O-N 2.95Å; Q81-P85 WeakPolarHBondContact O-CD 3.12Å
82Q96.2Very high95.1Very high83 Ų8352.8 Ų52.839%0.38827%0.271SS..Hα-helixtrans-73.2-46.4179.3-63.4-57.3-48.900112.5H78 L79 H86H78-Q82 WeakPolarHBondContact O-CG 3.47Å; H78-Q82 PolarHBondContact O-N 2.94Å; L79-Q82 PolarHBondContact O-N 3.38Å; Q82-H86 PolarHBondContact O-CD2 2.81Å; Q82-H86 VanDerWaalsContact O-CD2 3.3Å
83C95.3Very high95.1Very high0 Ų058.7 Ų58.70%030%0.303CS..Hα-helixtrans-86.3-25.6-175.8-680000113.7V50 L79 H86 V87V50-C83 HydrophobicContact CG2-CB 4.27Å; L79-C83 VanDerWaalsContact CD1-SG 3.53Å; L79-C83 VanDerWaalsContact O-CB 3.24Å; L79-C83 WeakPolarHBondContact O-CB 3.49Å; L79-C83 PolarHBondContact O-N 3.38Å; C83-H86 PolarHBondContact O-N 2.83Å; C83-V87 HydrophobicContact CB-CG2 4.35Å; C83-V87 WeakPolarHBondContact O-CG2 3.42Å; C83-V87 PolarHBondContact O-N 3.25Å
84G92.4Very high95.3Very high14 Ų1457.6 Ų57.614%0.14430%0.303CS..Hα-helixtrans-52.1-58.1-170.500000113.4R80 H86 V87 T88R80-G84 WeakPolarHBondContact O-CA 3.11Å; R80-G84 PolarHBondContact O-N 2.92Å; G84-H86 VanDerWaalsContact C-N 3.25Å; G84-H86 PolarHBondContact O-N 3.42Å; G84-V87 PolarHBondContact O-N 3.18Å; G84-V87 VanDerWaalsContact O-N 3.17Å; G84-T88 WeakPolarHBondContact O-CB 3.14Å; G84-T88 PolarHBondContact O-N 3.03Å; G84-T88 PolarHBondContact O-OG1 3.25Å
85P95.3Very high95.4Very high86 Ų8652.5 Ų52.556%0.55828%0.275SS*.Hα-helixtrans-55.9-38.5-180-26.835.5000113.5Q81 A89Q81-P85 WeakPolarHBondContact O-CD 3.12Å; P85-A89 WeakPolarHBondContact O-CB 3.24Å; P85-A89 PolarHBondContact O-N 2.88Å
86H96Very high95.5Very high44 Ų4453.3 Ų53.320%0.20428%0.282CS..Hα-helixtrans-72-42.7179.2-60.4-70.2000112.3S46 V50 Q82 C83 G84 A89 V90S46-H86 WeakPolarHBondContact CB-ND1 3.46Å; S46-H86 PolarHBondContact OG-ND1 3.36Å; V50-H86 HydrophobicContact CG2-CB 3.56Å; Q82-H86 PolarHBondContact O-CD2 2.81Å; Q82-H86 VanDerWaalsContact O-CD2 3.3Å; C83-H86 PolarHBondContact O-N 2.83Å; G84-H86 VanDerWaalsContact C-N 3.25Å; G84-H86 PolarHBondContact O-N 3.42Å; H86-A89 PolarHBondContact O-N 3.44Å; H86-V90 WeakPolarHBondContact O-CG2 3.36Å; H86-V90 PolarHBondContact O-N 2.86Å
87V94.4Very high95.6Very high3 Ų354.8 Ų54.82%0.01830%0.299CS..Hα-helixtrans-64.3-43.1175.2170.60000110.3I9 P10 A33 M36 C83 G84 V90 A91I9-V87 HydrophobicContact CG2-CG1 3.69Å; P10-V87 HydrophobicContact CB-CG1 4.4Å; A33-V87 HydrophobicContact CB-CG2 4.23Å; M36-V87 HydrophobicContact SD-CG1 3.76Å; C83-V87 HydrophobicContact CB-CG2 4.35Å; C83-V87 WeakPolarHBondContact O-CG2 3.42Å; C83-V87 PolarHBondContact O-N 3.25Å; G84-V87 PolarHBondContact O-N 3.18Å; G84-V87 VanDerWaalsContact O-N 3.17Å; V87-V90 PolarHBondContact O-N 2.87Å; V87-A91 VanDerWaalsContact O-CB 3.3Å; V87-A91 WeakPolarHBondContact O-CB 3.5Å; V87-A91 PolarHBondContact O-N 3.23Å
88T94.2Very high95.8Very high66 Ų6654.7 Ų54.741%0.40530%0.3SS..Hα-helixtrans-58-49.4175-650000111M6 G84 V90 A91 K92M6-T88 VanDerWaalsContact CE-CA 3.48Å; M6-T88 HydrophobicContact CE-CG2 3.18Å; M6-T88 WeakPolarHBondContact CE-O 3.41Å; G84-T88 WeakPolarHBondContact O-CB 3.14Å; G84-T88 PolarHBondContact O-N 3.03Å; G84-T88 PolarHBondContact O-OG1 3.25Å; T88-V90 VanDerWaalsContact C-N 3.26Å; T88-V90 PolarHBondContact O-N 2.94Å; T88-A91 PolarHBondContact O-N 3.31Å; T88-A91 VanDerWaalsContact O-N 3.11Å; T88-K92 PolarHBondContact O-N 2.79Å
89A94.9Very high95.9Very high63 Ų6351.8 Ų51.852%0.52129%0.29SS..Hα-helixtrans-57.9-39.8179.400000112.3P85 H86P85-A89 WeakPolarHBondContact O-CB 3.24Å; P85-A89 PolarHBondContact O-N 2.88Å; H86-A89 PolarHBondContact O-N 3.44Å
90V95.3Very high96Very high20 Ų2054.7 Ų54.712%0.12131%0.31CS..Hα-helixtrans-78.3-21.9-179.8172.60000112.9I37 R40 A42 H86 V87 T88I37-V90 HydrophobicContact CD1-CG2 3.78Å; R40-V90 HydrophobicContact CB-CG1 3.37Å; R40-V90 HydrophobicContact CG-CG1 4.14Å; R40-V90 PolarHBondContact NH1-O 2.69Å; A42-V90 HydrophobicContact CB-CG2 3.61Å; H86-V90 WeakPolarHBondContact O-CG2 3.36Å; H86-V90 PolarHBondContact O-N 2.86Å; V87-V90 PolarHBondContact O-N 2.87Å; T88-V90 VanDerWaalsContact C-N 3.26Å; T88-V90 PolarHBondContact O-N 2.94Å
91A95.8Very high96.2Very high0 Ų056.3 Ų56.30%032%0.319CS..Hα-helixtrans-85.4-28.8176.300000113.6M6 I9 M36 V87 T88 D93 S94 V95M6-A91 HydrophobicContact CE-CB 4.08Å; M6-A91 HydrophobicContact SD-CB 3.94Å; I9-A91 HydrophobicContact CD1-CB 3.94Å; I9-A91 HydrophobicContact CG2-CB 3.97Å; M36-A91 HydrophobicContact CE-CB 3.6Å; V87-A91 VanDerWaalsContact O-CB 3.3Å; V87-A91 WeakPolarHBondContact O-CB 3.5Å; V87-A91 PolarHBondContact O-N 3.23Å; T88-A91 PolarHBondContact O-N 3.31Å; T88-A91 VanDerWaalsContact O-N 3.11Å; A91-D93 PolarHBondContact O-N 3.43Å; A91-S94 WeakPolarHBondContact O-CB 3.25Å; A91-S94 PolarHBondContact O-N 3.11Å; A91-S94 VanDerWaalsContact O-N 3.16Å; A91-V95 HydrophobicContact CB-CG2 4.47Å; A91-V95 PolarHBondContact O-N 2.77Å; A91-V95 VanDerWaalsContact O-N 3.08Å
92K95.6Very high96.3Very high96 Ų9655 Ų5542%0.41732%0.315SS..Hα-helixtrans-47.5-63.4-165-176.1178.4174.6-176.10113.8F2 T88 S94 V95 E96F2-K92 HydrophobicContact CE2-CG 4.39Å; F2-K92 HydrophobicContact CZ-CG 4.21Å; T88-K92 PolarHBondContact O-N 2.79Å; K92-S94 PolarHBondContact O-N 2.81Å; K92-V95 PolarHBondContact O-N 2.99Å; K92-E96 WeakPolarHBondContact CE-OE1 3.34Å; K92-E96 HydrophobicContact CG-CG 4.37Å; K92-E96 IonicContact NZ-OE1 3.68Å; K92-E96 PolarHBondContact O-N 3.25Å
93D96Very high96.4Very high126 Ų12659.1 Ų59.167%0.67433%0.328SS*.Hα-helixtrans-59.9-36.2-174.1-58.5-9.2000112.2A91 G97A91-D93 PolarHBondContact O-N 3.43Å; D93-G97 PolarHBondContact O-N 2.88Å
94S96.8Very high96.6Very high52 Ų5264.4 Ų64.436%0.36435%0.353SS..Hα-helixtrans-65.5-40.7176.4179.50000111.5R40 A91 K92 G97 I98R40-S94 PolarHBondContact NH2-OG 2.75Å; R40-S94 VanDerWaalsContact NH2-OG 3.14Å; A91-S94 WeakPolarHBondContact O-CB 3.25Å; A91-S94 PolarHBondContact O-N 3.11Å; A91-S94 VanDerWaalsContact O-N 3.16Å; K92-S94 PolarHBondContact O-N 2.81Å; S94-G97 PolarHBondContact O-N 3.02Å; S94-I98 WeakPolarHBondContact O-CG1 3.08Å; S94-I98 PolarHBondContact O-N 2.88Å; S94-I98 VanDerWaalsContact O-N 3.12Å
95V97.4Very high96.8Very high2 Ų266.1 Ų66.11%0.01236%0.358CS..Hα-helixtrans-76.1-37.8-179.9-179.30000111.4F2 V5 M6 I9 A91 K92 G97 I98 C99F2-V95 HydrophobicContact CD2-CB 4.11Å; F2-V95 HydrophobicContact CD2-CG1 3.58Å; F2-V95 HydrophobicContact CE2-CB 3.98Å; F2-V95 HydrophobicContact CE2-CG1 3.93Å; F2-V95 HydrophobicContact CG-CG1 4.34Å; V5-V95 HydrophobicContact CB-CG1 3.81Å; V5-V95 HydrophobicContact CG1-CB 4.46Å; V5-V95 HydrophobicContact CG1-CG1 3.67Å; V5-V95 HydrophobicContact CG1-CG2 3.92Å; M6-V95 HydrophobicContact CG-CG1 4.14Å; M6-V95 HydrophobicContact SD-CB 3.89Å; M6-V95 HydrophobicContact SD-CG1 4.15Å; M6-V95 HydrophobicContact SD-CG2 3.6Å; M6-V95 VanDerWaalsContact SD-CG2 3.6Å; I9-V95 HydrophobicContact CD1-CG2 3.51Å; A91-V95 HydrophobicContact CB-CG2 4.47Å; A91-V95 PolarHBondContact O-N 2.77Å; A91-V95 VanDerWaalsContact O-N 3.08Å; K92-V95 PolarHBondContact O-N 2.99Å; V95-G97 VanDerWaalsContact C-N 3.27Å; V95-G97 PolarHBondContact O-N 3.35Å; V95-I98 WeakPolarHBondContact O-CB 3.3Å; V95-I98 PolarHBondContact O-N 3.16Å; V95-C99 PolarHBondContact O-N 3.39Å; V95-C99 PolarHBondContact O-SG 3.18Å
96E97.8Very high97Very high82 Ų8265.1 Ų65.138%0.38335%0.353SS..Hα-helixtrans-60.3-39.6170.1-70.3-178173.300111.3F2 K92 C99 S100F2-E96 HydrophobicContact CD2-CG 4Å; F2-E96 HydrophobicContact CE2-CG 3.69Å; K92-E96 WeakPolarHBondContact CE-OE1 3.34Å; K92-E96 HydrophobicContact CG-CG 4.37Å; K92-E96 IonicContact NZ-OE1 3.68Å; K92-E96 PolarHBondContact O-N 3.25Å; E96-C99 PolarHBondContact O-N 2.77Å; E96-S100 WeakPolarHBondContact O-CB 3.24Å; E96-S100 PolarHBondContact O-N 3.24Å; E96-S100 PolarHBondContact O-OG 3.29Å
97G98.3Very high97.1Very high37 Ų3764.6 Ų64.638%0.38136%0.357SS..Hα-helixtrans-60.3-42.3172.900000113D93 S94 V95 S100 K101D93-G97 PolarHBondContact O-N 2.88Å; S94-G97 PolarHBondContact O-N 3.02Å; V95-G97 VanDerWaalsContact C-N 3.27Å; V95-G97 PolarHBondContact O-N 3.35Å; G97-S100 PolarHBondContact O-N 3.08Å; G97-K101 VanDerWaalsContact O-CB 3.23Å; G97-K101 WeakPolarHBondContact O-CB 3.33Å; G97-K101 PolarHBondContact O-N 3.29Å
98I98.1Very high97.3Very high87 Ų8768 Ų6845%0.44637%0.373SS..Hα-helixtrans-61.6-49.6174.5-67.7164.5000110.6S94 V95 S100 K101 I102S94-I98 WeakPolarHBondContact O-CG1 3.08Å; S94-I98 PolarHBondContact O-N 2.88Å; S94-I98 VanDerWaalsContact O-N 3.12Å; V95-I98 WeakPolarHBondContact O-CB 3.3Å; V95-I98 PolarHBondContact O-N 3.16Å; I98-S100 VanDerWaalsContact C-N 3.34Å; I98-S100 PolarHBondContact O-N 3.14Å; I98-K101 PolarHBondContact O-N 2.93Å; I98-I102 PolarHBondContact O-N 3.48Å
99C97.9Very high97.5Very high29 Ų2971 Ų7120%0.19638%0.377CS..Hα-helixtrans-61-42.4179.9-62.20000111.8V95 E96 I102 Y103V95-C99 PolarHBondContact O-N 3.39Å; V95-C99 PolarHBondContact O-SG 3.18Å; E96-C99 PolarHBondContact O-N 2.77Å; C99-I102 VanDerWaalsContact O-CG2 3.26Å; C99-I102 WeakPolarHBondContact O-CG2 3.29Å; C99-Y103 PolarHBondContact O-N 2.66Å
100S98.3Very high97.6Very high62 Ų6271.2 Ų71.243%0.43438%0.375SS..Hα-helixtrans-67.8-42.3178.5-60.10000111.6E96 G97 I98 Y103 Q104E96-S100 WeakPolarHBondContact O-CB 3.24Å; E96-S100 PolarHBondContact O-N 3.24Å; E96-S100 PolarHBondContact O-OG 3.29Å; G97-S100 PolarHBondContact O-N 3.08Å; I98-S100 VanDerWaalsContact C-N 3.34Å; I98-S100 PolarHBondContact O-N 3.14Å; S100-Y103 PolarHBondContact O-N 3.31Å; S100-Q104 VanDerWaalsContact O-CG 3.31Å; S100-Q104 WeakPolarHBondContact O-CG 3.3Å; S100-Q104 PolarHBondContact O-N 3.1Å
101K98.4Very high97.8Very high116 Ų11678.1 Ų78.150%0.50440%0.399SS..Hα-helixtrans-66.1-42.9-178.8-175.658.8176.51780111.9G97 I98 Y103 Q104 L105G97-K101 VanDerWaalsContact O-CB 3.23Å; G97-K101 WeakPolarHBondContact O-CB 3.33Å; G97-K101 PolarHBondContact O-N 3.29Å; I98-K101 PolarHBondContact O-N 2.93Å; K101-Y103 VanDerWaalsContact C-N 3.32Å; K101-Y103 PolarHBondContact O-N 3.37Å; K101-Q104 PolarHBondContact O-N 2.86Å; K101-L105 HydrophobicContact CD-CG 4.46Å; K101-L105 HydrophobicContact CG-CD1 4.24Å; K101-L105 WeakPolarHBondContact O-CG 3.45Å; K101-L105 PolarHBondContact O-N 2.92Å
102I98.2Very high97.9Very high86 Ų8685.3 Ų85.344%0.44143%0.426SS..Hα-helixtrans-65.7-37.8178.8-161.869000111.4M1 I98 C99 L105 S106M1-I102 HydrophobicContact CE-CG2 3.98Å; M1-I102 HydrophobicContact SD-CG2 3.63Å; I98-I102 PolarHBondContact O-N 3.48Å; C99-I102 VanDerWaalsContact O-CG2 3.26Å; C99-I102 WeakPolarHBondContact O-CG2 3.29Å; I102-L105 PolarHBondContact O-N 3.45Å; I102-S106 WeakPolarHBondContact O-CB 3.41Å; I102-S106 PolarHBondContact O-N 3.44Å
103Y98.1Very high98Very high171 Ų17186.5 Ų86.567%0.67144%0.436SS*.Hα-helixtrans-61.9-47.6173.7170.8-101.7000111.9C99 S100 K101 L105 S106 A107C99-Y103 PolarHBondContact O-N 2.66Å; S100-Y103 PolarHBondContact O-N 3.31Å; K101-Y103 VanDerWaalsContact C-N 3.32Å; K101-Y103 PolarHBondContact O-N 3.37Å; Y103-L105 VanDerWaalsContact C-N 3.35Å; Y103-L105 PolarHBondContact O-N 2.81Å; Y103-S106 WeakPolarHBondContact O-CB 3.45Å; Y103-S106 PolarHBondContact O-N 3.25Å; Y103-A107 PolarHBondContact O-N 3.03Å
104Q98.4Very high97.9Very high111 Ų11189 Ų8952%0.51944%0.436SS..Hα-helixtrans-61.4-41.9178.8-72.3171.71.500112.5S100 K101 A107 E108S100-Q104 VanDerWaalsContact O-CG 3.31Å; S100-Q104 WeakPolarHBondContact O-CG 3.3Å; S100-Q104 PolarHBondContact O-N 3.1Å; K101-Q104 PolarHBondContact O-N 2.86Å; Q104-A107 PolarHBondContact O-N 2.89Å; Q104-E108 PolarHBondContact O-N 3.21Å
105L98.5Very high97.9Very high49 Ų4993.4 Ų93.426%0.25745%0.451SS..Hα-helixtrans-63.6-44.2175.2-71.4171.8000111.4K101 I102 Y103 A107 E108 Y109K101-L105 HydrophobicContact CD-CG 4.46Å; K101-L105 HydrophobicContact CG-CD1 4.24Å; K101-L105 WeakPolarHBondContact O-CG 3.45Å; K101-L105 PolarHBondContact O-N 2.92Å; I102-L105 PolarHBondContact O-N 3.45Å; Y103-L105 VanDerWaalsContact C-N 3.35Å; Y103-L105 PolarHBondContact O-N 2.81Å; L105-A107 VanDerWaalsContact C-N 3.35Å; L105-A107 PolarHBondContact O-N 3.45Å; L105-E108 WeakPolarHBondContact O-CB 3.27Å; L105-E108 PolarHBondContact O-N 2.9Å; L105-Y109 PolarHBondContact O-N 3.21Å
106S98.3Very high97.8Very high65 Ų6597.1 Ų97.146%0.45547%0.474SS..Hα-helixtrans-57.9-47.1174.7-177.90000111.3I102 Y103 E108 Y109 S110I102-S106 WeakPolarHBondContact O-CB 3.41Å; I102-S106 PolarHBondContact O-N 3.44Å; Y103-S106 WeakPolarHBondContact O-CB 3.45Å; Y103-S106 PolarHBondContact O-N 3.25Å; S106-E108 VanDerWaalsContact C-N 3.3Å; S106-E108 PolarHBondContact O-N 3.48Å; S106-Y109 PolarHBondContact O-N 2.98Å; S106-Y109 VanDerWaalsContact O-N 3.15Å; S106-S110 PolarHBondContact O-N 3.32Å; S106-S110 PolarHBondContact O-OG 3.38Å; S106-S110 VanDerWaalsContact O-OG 3.11Å
107A98.4Very high97.6Very high33 Ų3398.9 Ų98.927%0.27348%0.482SS..Hα-helixtrans-62.2-35.2177.700000113Y103 Q104 L105 R111Y103-A107 PolarHBondContact O-N 3.03Å; Q104-A107 PolarHBondContact O-N 2.89Å; L105-A107 VanDerWaalsContact C-N 3.35Å; L105-A107 PolarHBondContact O-N 3.45Å; A107-R111 WeakPolarHBondContact O-CG 3.46Å; A107-R111 PolarHBondContact O-N 3.14Å; A107-R111 VanDerWaalsContact O-N 3.13Å; A107-R111 PolarHBondContact O-NE 3.36Å
108E98.4Very high97.3Very high76 Ų76101.9 Ų101.936%0.35549%0.489SS..Hα-helixtrans-65.4-47.5171.9-169.9-167.614200111.9Q104 L105 S106 S110 R111 R112Q104-E108 PolarHBondContact O-N 3.21Å; L105-E108 WeakPolarHBondContact O-CB 3.27Å; L105-E108 PolarHBondContact O-N 2.9Å; S106-E108 VanDerWaalsContact C-N 3.3Å; S106-E108 PolarHBondContact O-N 3.48Å; E108-S110 VanDerWaalsContact C-N 3.35Å; E108-S110 PolarHBondContact O-N 3.06Å; E108-R111 PolarHBondContact O-N 3.31Å; E108-R112 WeakPolarHBondContact O-CG 3.46Å; E108-R112 PolarHBondContact O-N 3.23Å
109Y98.3Very high97Very high128 Ų128102.3 Ų102.350%0.50250%0.499SS..Hα-helixtrans-62.7-41.3177.8-65-15.4000111.9L105 S106 R111 R112 L113L105-Y109 PolarHBondContact O-N 3.21Å; S106-Y109 PolarHBondContact O-N 2.98Å; S106-Y109 VanDerWaalsContact O-N 3.15Å; Y109-R111 VanDerWaalsContact C-N 3.34Å; Y109-R111 PolarHBondContact O-N 2.82Å; Y109-R112 PolarHBondContact O-N 2.89Å; Y109-L113 WeakPolarHBondContact O-CB 3.18Å; Y109-L113 VanDerWaalsContact O-CG 3.28Å; Y109-L113 WeakPolarHBondContact O-CG 3.4Å; Y109-L113 PolarHBondContact O-N 3.49Å
110S98Very high96.7Very high67 Ų67106.8 Ų106.847%0.46952%0.521SS..Hα-helixtrans-60.3-40.9174.1-62.30000112.3S106 E108 L113 R114S106-S110 PolarHBondContact O-N 3.32Å; S106-S110 PolarHBondContact O-OG 3.38Å; S106-S110 VanDerWaalsContact O-OG 3.11Å; E108-S110 VanDerWaalsContact C-N 3.35Å; E108-S110 PolarHBondContact O-N 3.06Å; S110-L113 PolarHBondContact O-N 3.2Å; S110-R114 WeakPolarHBondContact O-CB 3.39Å; S110-R114 PolarHBondContact O-N 3.32Å
111R98.1Very high96.2Very high166 Ų166105.6 Ų105.663%0.62651%0.509SS*.Hα-helixtrans-62.9-45.7175-78.1-178.7-71130-5.9111.7A107 E108 Y109 R114 Q115A107-R111 WeakPolarHBondContact O-CG 3.46Å; A107-R111 PolarHBondContact O-N 3.14Å; A107-R111 VanDerWaalsContact O-N 3.13Å; A107-R111 PolarHBondContact O-NE 3.36Å; E108-R111 PolarHBondContact O-N 3.31Å; Y109-R111 VanDerWaalsContact C-N 3.34Å; Y109-R111 PolarHBondContact O-N 2.82Å; R111-R114 PolarHBondContact O-N 3.43Å; R111-Q115 PolarHBondContact O-N 3Å
112R98.2Very high94.7Very high150 Ų150108.2 Ų108.257%0.56652%0.523SS*.Hα-helixtrans-62-46.5176.9-70.5175.961.6-178.3-2.9111.6E108 Y109 R114 Q115 T116E108-R112 WeakPolarHBondContact O-CG 3.46Å; E108-R112 PolarHBondContact O-N 3.23Å; Y109-R112 PolarHBondContact O-N 2.89Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R112-R114 PolarHBondContact O-N 3.01Å; R112-Q115 PolarHBondContact O-N 3.47Å; R112-T116 PolarHBondContact O-N 3.48Å; R112-T116 PolarHBondContact O-OG1 2.72Å
113L97.1Very high93Very high121 Ų121111.9 Ų111.963%0.63454%0.544SS*.Hα-helixtrans-60-43176.7-73.5172.2000111.8Y109 S110 T116 H117Y109-L113 WeakPolarHBondContact O-CB 3.18Å; Y109-L113 VanDerWaalsContact O-CG 3.28Å; Y109-L113 WeakPolarHBondContact O-CG 3.4Å; Y109-L113 PolarHBondContact O-N 3.49Å; S110-L113 PolarHBondContact O-N 3.2Å; L113-T116 PolarHBondContact O-N 3.45Å; L113-H117 WeakPolarHBondContact O-CB 3.16Å; L113-H117 PolarHBondContact O-N 3.08Å
114R95.8Very high91Very high180 Ų180108.5 Ų108.568%0.67954%0.543SS*.Hα-helixtrans-61.1-46175.1179.5171.6179.1163.9-0.4111.6S110 R111 R112 T116 H117 L118S110-R114 WeakPolarHBondContact O-CB 3.39Å; S110-R114 PolarHBondContact O-N 3.32Å; R111-R114 PolarHBondContact O-N 3.43Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R112-R114 PolarHBondContact O-N 3.01Å; R114-T116 PolarHBondContact O-N 3.24Å; R114-H117 PolarHBondContact O-N 3.29Å; R114-L118 HydrophobicContact CG-CD1 4.02Å; R114-L118 HydrophobicContact CG-CG 4.35Å; R114-L118 WeakPolarHBondContact O-CB 3.36Å; R114-L118 VanDerWaalsContact O-CG 3.3Å; R114-L118 WeakPolarHBondContact O-CG 3.39Å; R114-L118 PolarHBondContact O-N 3.29Å
115Q95.9Very high88.8Confident144 Ų144107.3 Ų107.367%0.67355%0.547SS*.Hα-helixtrans-61.2-44.7178.2-173.2178.2800111.6R111 R112 L118 S119R111-Q115 PolarHBondContact O-N 3Å; R112-Q115 PolarHBondContact O-N 3.47Å; Q115-L118 PolarHBondContact O-N 3.46Å; Q115-S119 PolarHBondContact O-N 2.89Å
116T95.3Very high86.6Confident80 Ų80111.8 Ų111.849%0.49158%0.576SS.*Hα-helixtrans-61.7-45.2174.8-57.90000111.6R112 L113 R114 L118 S119 L120R112-T116 PolarHBondContact O-N 3.48Å; R112-T116 PolarHBondContact O-OG1 2.72Å; L113-T116 PolarHBondContact O-N 3.45Å; R114-T116 PolarHBondContact O-N 3.24Å; T116-L118 PolarHBondContact O-N 2.99Å; T116-S119 PolarHBondContact O-N 3.44Å; T116-S119 PolarHBondContact O-OG 3.44Å; T116-L120 HydrophobicContact CG2-CD1 4.27Å; T116-L120 WeakPolarHBondContact O-CG 3.4Å; T116-L120 PolarHBondContact O-N 3.5Å; T116-L120 VanDerWaalsContact O-N 3.14Å
117H93.9Very high84.3Confident119 Ų119116.9 Ų116.955%0.55159%0.593SS**Hα-helixtrans-60.5-46.6177.8-161.9134.1000111.1L113 R114 S119 L120 L121L113-H117 WeakPolarHBondContact O-CB 3.16Å; L113-H117 PolarHBondContact O-N 3.08Å; R114-H117 PolarHBondContact O-N 3.29Å; H117-S119 VanDerWaalsContact C-N 3.29Å; H117-S119 PolarHBondContact O-N 2.99Å; H117-L120 WeakPolarHBondContact O-CB 3.38Å; H117-L120 PolarHBondContact O-N 3.08Å; H117-L121 PolarHBondContact O-N 3.31Å; H117-L121 VanDerWaalsContact O-N 3.13Å
118L92.1Very high81.9Confident100 Ų100120.9 Ų120.952%0.52462%0.619SS.*Hα-helixtrans-60.2-37.8176.8-70.7173.5000112.2R114 Q115 T116 L120 L121R114-L118 HydrophobicContact CG-CD1 4.02Å; R114-L118 HydrophobicContact CG-CG 4.35Å; R114-L118 WeakPolarHBondContact O-CB 3.36Å; R114-L118 VanDerWaalsContact O-CG 3.3Å; R114-L118 WeakPolarHBondContact O-CG 3.39Å; R114-L118 PolarHBondContact O-N 3.29Å; Q115-L118 PolarHBondContact O-N 3.46Å; T116-L118 PolarHBondContact O-N 2.99Å; L118-L120 PolarHBondContact O-N 3.14Å; L118-L121 HydrophobicContact CD2-CD1 4.34Å; L118-L121 PolarHBondContact O-N 3.34Å
119S92.1Very high79.7Confident96 Ų96123.3 Ų123.367%0.67164%0.643SS**Hα-helixtrans-69.3-20.5175.7710000114.3Q115 T116 H117Q115-S119 PolarHBondContact O-N 2.89Å; T116-S119 PolarHBondContact O-N 3.44Å; T116-S119 PolarHBondContact O-OG 3.44Å; H117-S119 VanDerWaalsContact C-N 3.29Å; H117-S119 PolarHBondContact O-N 2.99Å
120L90.4Very high77.7Confident123 Ų123120.4 Ų120.464%0.64465%0.651SS**Hα-helixtrans-87.7-22.3176.7-69.5170.1000112.5T116 H117 L118 Q122T116-L120 HydrophobicContact CG2-CD1 4.27Å; T116-L120 WeakPolarHBondContact O-CG 3.4Å; T116-L120 PolarHBondContact O-N 3.5Å; T116-L120 VanDerWaalsContact O-N 3.14Å; H117-L120 WeakPolarHBondContact O-CB 3.38Å; H117-L120 PolarHBondContact O-N 3.08Å; L118-L120 PolarHBondContact O-N 3.14Å; L120-Q122 PolarHBondContact O-N 3.22Å
121L87.4Confident75.9Confident37 Ų37122 Ų12219%0.19466%0.663CS.*SBendtrans-73.7116.4170.2-64.1171.8000107.4H117 L118 I147 P150H117-L121 PolarHBondContact O-N 3.31Å; H117-L121 VanDerWaalsContact O-N 3.13Å; L118-L121 HydrophobicContact CD2-CD1 4.34Å; L118-L121 PolarHBondContact O-N 3.34Å; L121-I147 HydrophobicContact CD1-CG2 4.44Å; L121-I147 HydrophobicContact CD2-CG2 4.23Å; L121-P150 HydrophobicContact CD2-CG 4.2Å
122Q68.3Low74.1Confident171 Ų171119.5 Ų119.580%0.79967%0.668SS**  trans-62.7153.9166.2-64176.10.500108.6L120L120-Q122 PolarHBondContact O-N 3.22Å
123D61.7Low72.7Confident162 Ų162118.6 Ų118.687%0.86668%0.682SS**SBendtrans-38.9121.7-170.4-91.5-32.9000112.1S125D123-S125 PolarHBondContact O-N 3.01Å
124P56.9Low71.5Confident101 Ų101120.4 Ų120.466%0.65669%0.687SS**  trans-62.5127.5-174.823.6-31.1000109T126P124-T126 PolarHBondContact O-N 3.31Å; P124-T126 VanDerWaalsContact O-N 3.09Å
125S52.5Low70.9Confident86 Ų86118.3 Ų118.360%0.60170%0.7SS**  trans-56.5118.9169.144.80000108.8D123 E127D123-S125 PolarHBondContact O-N 3.01Å; S125-E127 PolarHBondContact O-N 3.4Å
126T50.8Low70.8Confident142 Ų142120.3 Ų120.387%0.87170%0.701SS**  trans-69.318.2-176.8-26.60000113.7P124 S128P124-T126 PolarHBondContact O-N 3.31Å; P124-T126 VanDerWaalsContact O-N 3.09Å; T126-S128 PolarHBondContact O-N 3.28Å; T126-S128 VanDerWaalsContact O-N 3.16Å
127E50.1Low70.8Confident173 Ų173123.2 Ų123.281%0.80871%0.713SS**  trans-88.982.2179.1-69-166.5169.400109.7S125 C129S125-E127 PolarHBondContact O-N 3.4Å; E127-C129 PolarHBondContact O-N 2.96Å
128S48.2Very low70.9Confident117 Ų117121.3 Ų121.382%0.81871%0.71SS**  trans-69.784.4161.166.40000108.7T126 G130T126-S128 PolarHBondContact O-N 3.28Å; T126-S128 VanDerWaalsContact O-N 3.16Å; S128-G130 PolarHBondContact O-N 3.44Å; S128-G130 VanDerWaalsContact O-N 3.09Å
129C51.8Low71.2Confident127 Ų127127.2 Ų127.286%0.85873%0.726SS**  trans-76.396.1168-169.30000108.4E127E127-C129 PolarHBondContact O-N 2.96Å
130G57.8Low71.5Confident66 Ų66124.9 Ų124.968%0.6871%0.71SS**  trans-130.483.5175.500000109.9S128S128-G130 PolarHBondContact O-N 3.44Å; S128-G130 VanDerWaalsContact O-N 3.09Å
131S58.5Low71.8Confident102 Ų102125.8 Ų125.871%0.71371%0.706SS**  trans-60.6141.3154.643.70000107.8
132P61.4Low72.4Confident112 Ų112124.4 Ų124.473%0.72770%0.699SS**  trans-57137.5-17921.2-30.9000109.5Q134P132-Q134 PolarHBondContact O-N 3.17Å
133P69.1Low73.8Confident132 Ų132118.5 Ų118.586%0.85767%0.674SS**  trans-60.6113.4-178.922.6-30.8000109.2S135P133-S135 PolarHBondContact O-N 3.27Å
134Q71.2Confident75.5Confident159 Ų159115.1 Ų115.174%0.74365%0.65SS**  trans-68.2127.6167.9-72.5179.4-12.100108.1P132 R136P132-Q134 PolarHBondContact O-N 3.17Å; Q134-R136 PolarHBondContact O-N 3.42Å
135S84.1Confident77.3Confident136 Ų136114.5 Ų114.595%0.95164%0.64SS**  trans-68.596.3173.2-169.50000108.8P133P133-S135 PolarHBondContact O-N 3.27Å
136R92.9Very high79.1Confident185 Ų185116 Ų11670%0.69865%0.651SS**  trans-133.3137.9175.864.2174.3-172.7-178.61.2109.9Q134 V138Q134-R136 PolarHBondContact O-N 3.42Å; R136-V138 HydrophobicContact CG-CG1 3.99Å
137L95Very high81Confident142 Ų142113.9 Ų113.974%0.74363%0.633SS**  trans-80.5132168.8-61.3-180000108.8V282L137-V282 HydrophobicContact CD1-CG1 4.43Å; L137-V282 HydrophobicContact CD2-CB 4.4Å; L137-V282 HydrophobicContact CD2-CG2 3.79Å
138V96.7Very high82.9Confident79 Ų79109.9 Ų109.948%0.47962%0.622SS.*  trans-136.9154.8178.2-64.20000109.3R136 Y141R136-V138 HydrophobicContact CG-CG1 3.99Å; V138-Y141 HydrophobicContact CG2-CD1 4.39Å; V138-Y141 HydrophobicContact CG2-CE1 4.05Å
139Y97.9Very high84.9Confident223 Ų223105.9 Ų105.988%0.87559%0.593SS**  trans-59.8141.7165.2-73.1-69.3000110.3
140C98.1Very high86.7Confident48 Ų48102.2 Ų102.232%0.32457%0.568SS.*  trans-62.3143.4-17772.20000111.5R273 F279C140-R273 HydrophobicContact CB-CG 4.14Å; C140-R273 PolarHBondContact O-NH2 2.88Å; C140-R273 PolarHBondContact SG-NE 2.7Å; C140-F279 HydrophobicContact CB-CE2 3.9Å; C140-F279 HydrophobicContact CB-CZ 3.93Å
141Y98.4Very high88.2Confident141 Ų141103.9 Ų103.955%0.55358%0.575SS**  trans-128.1159.8175.255.7-89.5000109.5V138 R144 R273V138-Y141 HydrophobicContact CG2-CD1 4.39Å; V138-Y141 HydrophobicContact CG2-CE1 4.05Å; Y141-R144 HydrophobicContact CD2-CG 4.24Å; Y141-R144 HydrophobicContact CE2-CG 4.06Å; Y141-R273 WeakPolarHBondContact O-CG 3.42Å
142P98.6Very high89.9Confident9 Ų9102 Ų1026%0.05856%0.556CS.*  trans-58.4144.7178.3-21.331.8000111.8R144 G268 S272P142-R144 WeakPolarHBondContact O-CD 3.28Å; P142-R144 PolarHBondContact O-N 2.84Å; P142-R144 PolarHBondContact O-NE 2.81Å; P142-G268 WeakPolarHBondContact CB-O 3.43Å; P142-S272 CarbonylContact C-O 3.6Å; P142-S272 WeakPolarHBondContact CA-O 3.39Å
143V97.9Very high91.4Very high46 Ų4699.9 Ų99.928%0.27954%0.543SS..  trans-56.4140.7178.765.50000110.6P264 S272V143-P264 HydrophobicContact CG1-CB 3.68Å; V143-P264 WeakPolarHBondContact CG1-O 3.38Å; V143-P264 HydrophobicContact CG2-CB 4.33Å; V143-S272 PolarHBondContact N-O 2.76Å
144R96.8Very high92.7Very high92 Ų92104.6 Ų104.635%0.34754%0.543SS..  trans-112.9139.5-177.3-54.3-55.2-176.7-170.82.6109.8Y141 P142 S190Y141-R144 HydrophobicContact CD2-CG 4.24Å; Y141-R144 HydrophobicContact CE2-CG 4.06Å; P142-R144 WeakPolarHBondContact O-CD 3.28Å; P142-R144 PolarHBondContact O-N 2.84Å; P142-R144 PolarHBondContact O-NE 2.81Å; R144-S190 PolarHBondContact NH1-O 3.28Å; R144-S190 PolarHBondContact NH2-O 2.85Å
145L94.9Very high94Very high87 Ų8797.6 Ų97.646%0.45551%0.511SS..  trans-89.1132.5172.2-54.5-176.1000108.6F269L145-F269 HydrophobicContact CD1-CE2 4.28Å; L145-F269 HydrophobicContact CD1-CZ 3.92Å
146S91.6Very high94.6Very high119 Ų11996.5 Ų96.583%0.83249%0.491SS*.SBendtrans-73.6-32.4176.351.70000112.1
147I90.1Very high94.9Very high96 Ų9690.7 Ų90.749%0.49247%0.474SS..SBendtrans-81.5125.7179-57.8175.9000108.6L121L121-I147 HydrophobicContact CD1-CG2 4.44Å; L121-I147 HydrophobicContact CD2-CG2 4.23Å
148P89.3Confident95Very high89 Ų8986.9 Ų86.958%0.57845%0.452SS*.PPolyproline II helixtrans-57.7141.9175-24.834.6000112.1
149T90.6Very high95Very high33 Ų3387.2 Ų87.220%0.20245%0.447CS..PPolyproline II helixtrans-69.6125.1176.4-57.60000109.4L152 D193 K199 R203T149-L152 HydrophobicContact CG2-CD1 4.14Å; T149-L152 HydrophobicContact CG2-CD2 3.89Å; T149-L152 HydrophobicContact CG2-CG 4Å; T149-D193 PolarHBondContact OG1-OD2 2.7Å; T149-K199 HydrophobicContact CG2-CD 4.15Å; T149-R203 PolarHBondContact OG1-NH2 3.19Å
150P89.4Confident94.8Very high51 Ų5180.4 Ų80.433%0.33142%0.423SS..PPolyproline II helixtrans-65.8170.9175.329.6-36.2000111.2L121 L152L121-P150 HydrophobicContact CD2-CG 4.2Å; P150-L152 PolarHBondContact O-N 3.5Å; P150-L152 VanDerWaalsContact O-N 3.12Å
151A90.1Very high94.5Very high100 Ų10085.7 Ų85.783%0.82645%0.448SS*.PPolyproline II helixtrans-57.4120.8170.600000109.8
152L93.4Very high94.2Very high63 Ų6384.4 Ų84.433%0.3345%0.451SS..PPolyproline II helixtrans-86.9144.6-178.9-62.2-173.8000110.6T149 P150 K199 A202 R203T149-L152 HydrophobicContact CG2-CD1 4.14Å; T149-L152 HydrophobicContact CG2-CD2 3.89Å; T149-L152 HydrophobicContact CG2-CG 4Å; P150-L152 PolarHBondContact O-N 3.5Å; P150-L152 VanDerWaalsContact O-N 3.12Å; L152-K199 HydrophobicContact CD1-CB 3.79Å; L152-K199 HydrophobicContact CD1-CG 4.11Å; L152-K199 HydrophobicContact CG-CG 4.43Å; L152-A202 HydrophobicContact CB-CB 3.8Å; L152-A202 HydrophobicContact CD1-CB 3.65Å; L152-A202 HydrophobicContact CG-CB 4.35Å; L152-R203 HydrophobicContact CD1-CG 4.08Å
153P94.4Very high94.1Very high68 Ų6886.3 Ų86.344%0.44246%0.462SS..PPolyproline II helixtrans-68.1155.9176.930.3-35.6000111.3V155 F168P153-V155 PolarHBondContact O-N 3.11Å; P153-F168 HydrophobicContact CB-CD2 4.4Å; P153-F168 HydrophobicContact CB-CE2 3.59Å; P153-F168 HydrophobicContact CB-CZ 4.29Å; P153-F168 HydrophobicContact CG-CD2 4.21Å; P153-F168 HydrophobicContact CG-CE2 3.44Å; P153-F168 VanDerWaalsContact CG-CE2 3.44Å; P153-F168 HydrophobicContact CG-CZ 3.79Å
154R95.1Very high94.1Very high230 Ų23084.1 Ų84.187%0.86845%0.449SS*.PPolyproline II helixtrans-66132.9176.3-170.8176.5179.9-176.9-0.6110.7
155V98.3Very high94.2Very high12 Ų1279.7 Ų79.77%0.07343%0.432CS..  trans-112.8132.7170.4174.30000108.4P153 L166 F168 L201 A202 W205P153-V155 PolarHBondContact O-N 3.11Å; V155-L166 HydrophobicContact CG1-CB 3.97Å; V155-L166 HydrophobicContact CG1-CD2 4.28Å; V155-F168 HydrophobicContact CG2-CB 4.2Å; V155-F168 HydrophobicContact CG2-CD2 4.42Å; V155-L201 HydrophobicContact CB-CB 4.13Å; V155-L201 HydrophobicContact CG1-CB 4.38Å; V155-A202 HydrophobicContact CG2-CB 4.09Å; V155-W205 HydrophobicContact CG1-CB 4.09Å; V155-W205 HydrophobicContact CG1-CG 4.32Å; V155-W205 HydrophobicContact CG2-CB 4.21Å; V155-W205 HydrophobicContact CG2-CG 4.5Å
156E98.1Very high94.4Very high114 Ų11475.6 Ų75.653%0.53341%0.411SS..EExtended strand (participates in β ladder)trans-84.4138.3176.2-65.8169.8-176.200109.5L166 R167E156-L166 CarbonylContact O-C 3.54Å; E156-L166 VanDerWaalsContact O-CA 3.3Å; E156-L166 WeakPolarHBondContact O-CA 3.13Å; E156-R167 HydrophobicContact CB-CB 4.31Å; E156-R167 PolarHBondContact N-O 3.49Å; E156-R167 PolarHBondContact O-N 3.38Å
157L98.1Very high94.7Very high62 Ų6274.6 Ų74.633%0.32539%0.389SS..EExtended strand (participates in β ladder)trans-122.8129.6174.417166.7000108.8F159 A164 C165 L166 F180 L201L157-F159 HydrophobicContact CD1-CE2 4.2Å; L157-F159 HydrophobicContact CD1-CZ 4.45Å; L157-F159 HydrophobicContact CD2-CE2 3.9Å; L157-F159 HydrophobicContact CD2-CZ 4.39Å; L157-F159 HydrophobicContact CG-CE2 4.09Å; L157-A164 HydrophobicContact CD1-CB 3.97Å; L157-C165 WeakPolarHBondContact CA-O 3.46Å; L157-L166 HydrophobicContact CD1-CD1 4.28Å; L157-L166 HydrophobicContact CD1-CG 4.09Å; L157-F180 HydrophobicContact CD1-CE2 4.25Å; L157-F180 HydrophobicContact CD1-CZ 4.35Å; L157-F180 HydrophobicContact CD2-CE1 4.2Å; L157-F180 HydrophobicContact CD2-CE2 4.33Å; L157-F180 HydrophobicContact CD2-CZ 3.65Å; L157-L201 HydrophobicContact CB-CD1 4.08Å; L157-L201 HydrophobicContact CB-CD2 4.35Å; L157-L201 HydrophobicContact CD2-CD2 3.91Å
158H97.1Very high95.1Very high62 Ų6272.3 Ų72.329%0.28738%0.375SS..EExtended strand (participates in β ladder)trans-137.4160.5164.672.2-80.6000110.2E160 C165H158-E160 IonicContact CD2-OE1 3.51Å; H158-E160 IonicContact CE1-OE1 3.42Å; H158-E160 IonicContact NE2-OE1 2.72Å; H158-E160 PolarHBondContact NE2-OE1 3.29Å; H158-C165 WeakPolarHBondContact CE1-CB 3.5Å; H158-C165 PolarHBondContact N-O 3.23Å; H158-C165 VanDerWaalsContact N-O 3.09Å; H158-C165 PolarHBondContact O-N 2.98Å
159F96.9Very high95.3Very high86 Ų8678.7 Ų78.738%0.37739%0.388SS..EExtended strand (participates in β ladder)trans-110128.7177-74.1-93.1000110.1L157 V163 A164 R177 F180L157-F159 HydrophobicContact CD1-CE2 4.2Å; L157-F159 HydrophobicContact CD1-CZ 4.45Å; L157-F159 HydrophobicContact CD2-CE2 3.9Å; L157-F159 HydrophobicContact CD2-CZ 4.39Å; L157-F159 HydrophobicContact CG-CE2 4.09Å; F159-V163 WeakPolarHBondContact CA-O 3.4Å; F159-A164 HydrophobicContact CD1-CB 4.1Å; F159-A164 HydrophobicContact CE1-CB 3.63Å; F159-A164 HydrophobicContact CZ-CB 4.08Å; F159-R177 HydrophobicContact CE1-CG 4.28Å; F159-F180 HydrophobicContact CZ-CD1 4.12Å; F159-F180 HydrophobicContact CZ-CE1 4.24Å
160E94.8Very high95.5Very high80 Ų8080.2 Ų80.237%0.37441%0.41SS..EExtended strand (participates in β ladder)trans-110.9101.7169.5-74168.9-166.100107.3H158 D162 V163 K174H158-E160 IonicContact CD2-OE1 3.51Å; H158-E160 IonicContact CE1-OE1 3.42Å; H158-E160 IonicContact NE2-OE1 2.72Å; H158-E160 PolarHBondContact NE2-OE1 3.29Å; E160-D162 PolarHBondContact O-N 2.9Å; E160-V163 PolarHBondContact N-O 3.39Å; E160-V163 PolarHBondContact O-N 3.39Å; E160-K174 IonicContact OE2-NZ 3.64Å; E160-K174 PolarHBondContact OE2-NZ 3.29Å
161N91.5Very high95.9Very high159 Ų15982.3 Ų82.385%0.8542%0.416SS*.THydrogen-bonded Turntrans53.7-124.2-169-53-46.1000110.7V163N161-V163 VanDerWaalsContact C-N 3.32Å; N161-V163 PolarHBondContact O-N 3.05Å
162D92.1Very high96.2Very high114 Ų11480.5 Ų80.561%0.6139%0.391SS*.THydrogen-bonded Turntrans-91.222.8177.8-78.1-41.2000114.1E160 N176 R177E160-D162 PolarHBondContact O-N 2.9Å; D162-N176 CarbonylContact O-C 3.56Å; D162-N176 WeakPolarHBondContact O-CA 3.19Å; D162-R177 HydrophobicContact CB-CB 4.48Å; D162-R177 WeakPolarHBondContact O-CB 3.49Å; D162-R177 PolarHBondContact O-N 3.43Å
163V96.4Very high96.4Very high49 Ų4977.8 Ų77.830%0.29738%0.377SS..EExtended strand (participates in β ladder)trans-119.5123.5179.2-174.50000110.3F159 E160 N161 K174F159-V163 WeakPolarHBondContact CA-O 3.4Å; E160-V163 PolarHBondContact N-O 3.39Å; E160-V163 PolarHBondContact O-N 3.39Å; N161-V163 VanDerWaalsContact C-N 3.32Å; N161-V163 PolarHBondContact O-N 3.05Å; V163-K174 HydrophobicContact CG1-CB 3.83Å; V163-K174 HydrophobicContact CG1-CD 4.08Å; V163-K174 HydrophobicContact CG1-CG 4.27Å
164A97.8Very high96.5Very high0 Ų079 Ų790%038%0.375CS..EExtended strand (participates in β ladder)trans-79.4124.5168.300000109.3L157 F159 L166 K174 V175 F180L157-A164 HydrophobicContact CD1-CB 3.97Å; F159-A164 HydrophobicContact CD1-CB 4.1Å; F159-A164 HydrophobicContact CE1-CB 3.63Å; F159-A164 HydrophobicContact CZ-CB 4.08Å; A164-L166 HydrophobicContact CB-CD1 4.38Å; A164-K174 WeakPolarHBondContact O-CA 3.43Å; A164-V175 HydrophobicContact CB-CG1 3.89Å; A164-V175 PolarHBondContact N-O 2.73Å; A164-V175 PolarHBondContact O-N 3.26Å; A164-F180 HydrophobicContact CB-CB 4.1Å; A164-F180 HydrophobicContact CB-CD2 3.78Å; A164-F180 HydrophobicContact CB-CE2 4.41Å; A164-F180 HydrophobicContact CB-CG 3.94Å
165C98.1Very high96.6Very high0 Ų068.1 Ų68.10%033%0.334CS..EExtended strand (participates in β ladder)trans-111114.9178.1-67.50000108.5L157 H158 M172L157-C165 WeakPolarHBondContact CA-O 3.46Å; H158-C165 WeakPolarHBondContact CE1-CB 3.5Å; H158-C165 PolarHBondContact N-O 3.23Å; H158-C165 VanDerWaalsContact N-O 3.09Å; H158-C165 PolarHBondContact O-N 2.98Å; C165-M172 HydrophobicContact CB-CG 4.34Å; C165-M172 HydrophobicContact CB-SD 3.96Å
166L98.4Very high96.5Very high0 Ų069 Ų690%034%0.338CS..EExtended strand (participates in β ladder)trans-105.8128.8178.2-63.187.7000109.6V155 E156 L157 A164 M172 V173 V175 F180 L201 V204 W205 L208V155-L166 HydrophobicContact CG1-CB 3.97Å; V155-L166 HydrophobicContact CG1-CD2 4.28Å; E156-L166 CarbonylContact O-C 3.54Å; E156-L166 VanDerWaalsContact O-CA 3.3Å; E156-L166 WeakPolarHBondContact O-CA 3.13Å; L157-L166 HydrophobicContact CD1-CD1 4.28Å; L157-L166 HydrophobicContact CD1-CG 4.09Å; A164-L166 HydrophobicContact CB-CD1 4.38Å; L166-M172 WeakPolarHBondContact O-CA 3.33Å; L166-V173 HydrophobicContact CB-CG2 3.89Å; L166-V173 PolarHBondContact N-O 3.5Å; L166-V173 PolarHBondContact O-N 2.91Å; L166-V175 HydrophobicContact CD1-CG1 4.2Å; L166-F180 HydrophobicContact CD1-CD2 4.43Å; L166-F180 HydrophobicContact CD1-CE2 4.28Å; L166-F180 HydrophobicContact CD2-CE2 4.43Å; L166-L201 HydrophobicContact CD2-CD2 4.37Å; L166-V204 HydrophobicContact CD1-CG1 4.25Å; L166-V204 HydrophobicContact CD2-CB 3.91Å; L166-V204 HydrophobicContact CD2-CG1 3.64Å; L166-W205 HydrophobicContact CD2-CB 4.4Å; L166-L208 HydrophobicContact CD1-CD1 4.01Å
167R98.4Very high96.4Very high99 Ų9969.4 Ų69.437%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-122130.9-176.3-170.6-175.3-62.6-162.92.2112E156 E171E156-R167 HydrophobicContact CB-CB 4.31Å; E156-R167 PolarHBondContact N-O 3.49Å; E156-R167 PolarHBondContact O-N 3.38Å; R167-E171 WeakPolarHBondContact CA-O 3.45Å
168F98Very high96.3Very high47 Ų4767.8 Ų67.821%0.20633%0.333CS..EExtended strand (participates in β ladder)trans-135.5122.2172.8174.8-115.8000109.6P153 V155 G170 E171 W205P153-F168 HydrophobicContact CB-CD2 4.4Å; P153-F168 HydrophobicContact CB-CE2 3.59Å; P153-F168 HydrophobicContact CB-CZ 4.29Å; P153-F168 HydrophobicContact CG-CD2 4.21Å; P153-F168 HydrophobicContact CG-CE2 3.44Å; P153-F168 VanDerWaalsContact CG-CE2 3.44Å; P153-F168 HydrophobicContact CG-CZ 3.79Å; V155-F168 HydrophobicContact CG2-CB 4.2Å; V155-F168 HydrophobicContact CG2-CD2 4.42Å; F168-G170 PolarHBondContact O-N 2.66Å; F168-G170 VanDerWaalsContact O-N 3.13Å; F168-E171 PolarHBondContact N-O 2.81Å; F168-E171 PolarHBondContact O-N 2.94Å; F168-W205 HydrophobicContact CB-CD2 3.94Å; F168-W205 HydrophobicContact CB-CG 4.24Å; F168-W205 HydrophobicContact CB-CZ2 4.01Å; F168-W205 HydrophobicContact CD1-CE3 4.41Å; F168-W205 AromaticContact CD1-CH2 4Å; F168-W205 HydrophobicContact CD1-CH2 4Å; F168-W205 HydrophobicContact CD1-CZ2 4.19Å; F168-W205 HydrophobicContact CD1-CZ3 4.11Å
169R95.3Very high96.3Very high223 Ų22365 Ų6584%0.84232%0.32SS*.THydrogen-bonded Turntrans47.741.8179.3-66-174.8173.8-167.4-1.1114.3E171R169-E171 VanDerWaalsContact C-N 3.27Å; R169-E171 PolarHBondContact O-N 2.92Å
170G94.6Very high96.4Very high65 Ų6561.6 Ų61.667%0.6731%0.306SS*.THydrogen-bonded Turntrans84.6-14.1179.900000115F168F168-G170 PolarHBondContact O-N 2.66Å; F168-G170 VanDerWaalsContact O-N 3.13Å
171E97Very high96.6Very high96 Ų9660.6 Ų60.645%0.44931%0.307SS..EExtended strand (participates in β ladder)trans-86.4129.6174.7-67.3-158.4163.400111.6R167 F168 R169 W205 K209R167-E171 WeakPolarHBondContact CA-O 3.45Å; F168-E171 PolarHBondContact N-O 2.81Å; F168-E171 PolarHBondContact O-N 2.94Å; R169-E171 VanDerWaalsContact C-N 3.27Å; R169-E171 PolarHBondContact O-N 2.92Å; E171-W205 HydrophobicContact CB-CZ2 3.84Å; E171-W205 PolarHBondContact O-NE1 3.04Å; E171-K209 IonicContact OE1-NZ 2.72Å; E171-K209 VanDerWaalsContact OE2-CE 3.27Å; E171-K209 WeakPolarHBondContact OE2-CE 3.35Å; E171-K209 IonicContact OE2-NZ 3.93Å; E171-K209 PolarHBondContact OE2-NZ 3.43Å
172M97Very high96.9Very high62 Ų6253.7 Ų53.731%0.30527%0.27SS..EExtended strand (participates in β ladder)trans-111.8134.8-178.5-172.4-176-61.500111.2C165 L166 K174C165-M172 HydrophobicContact CB-CG 4.34Å; C165-M172 HydrophobicContact CB-SD 3.96Å; L166-M172 WeakPolarHBondContact O-CA 3.33Å; M172-K174 VanDerWaalsContact SD-CE 3.54Å; M172-K174 HydrophobicContact SD-CG 4.47Å
173V96.9Very high97.2Very high5 Ų548.3 Ų48.33%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-118.9150.7167.4-61.50000109.4L166 W205 L208 K209L166-V173 HydrophobicContact CB-CG2 3.89Å; L166-V173 PolarHBondContact N-O 3.5Å; L166-V173 PolarHBondContact O-N 2.91Å; V173-W205 HydrophobicContact CG2-CG 4.05Å; V173-L208 HydrophobicContact CB-CB 3.94Å; V173-L208 HydrophobicContact CB-CD1 4.32Å; V173-L208 HydrophobicContact CG1-CB 4.41Å; V173-L208 HydrophobicContact CG2-CB 3.83Å; V173-L208 HydrophobicContact CG2-CD1 3.75Å; V173-L208 HydrophobicContact CG2-CG 4.46Å; V173-K209 HydrophobicContact CG1-CB 4.23Å; V173-K209 HydrophobicContact CG1-CD 4.2Å
174K96.5Very high97.3Very high95 Ų9550.3 Ų50.341%0.41325%0.247SC..EExtended strand (participates in β ladder)trans-125.6146.9-174.7-62.5-164.7179.2-155.90111.3E160 V163 A164 M172 I361E160-K174 IonicContact OE2-NZ 3.64Å; E160-K174 PolarHBondContact OE2-NZ 3.29Å; V163-K174 HydrophobicContact CG1-CB 3.83Å; V163-K174 HydrophobicContact CG1-CD 4.08Å; V163-K174 HydrophobicContact CG1-CG 4.27Å; A164-K174 WeakPolarHBondContact O-CA 3.43Å; M172-K174 VanDerWaalsContact SD-CE 3.54Å; M172-K174 HydrophobicContact SD-CG 4.47Å; K174-I361 WeakPolarHBondContact O-CG2 3.34Å
175V97.3Very high97.3Very high0 Ų052.9 Ų52.90%026%0.26CS..EExtended strand (participates in β ladder)trans-150.7142.1172.960.60000109.2A164 L166 H179 F180 L208 H360A164-V175 HydrophobicContact CB-CG1 3.89Å; A164-V175 PolarHBondContact N-O 2.73Å; A164-V175 PolarHBondContact O-N 3.26Å; L166-V175 HydrophobicContact CD1-CG1 4.2Å; V175-H179 HydrophobicContact CG2-CB 3.49Å; V175-H179 VanDerWaalsContact CG2-CB 3.49Å; V175-F180 HydrophobicContact CG1-CB 4.08Å; V175-F180 HydrophobicContact CG1-CD2 3.96Å; V175-L208 HydrophobicContact CB-CD1 3.93Å; V175-L208 HydrophobicContact CB-CD2 4.01Å; V175-L208 HydrophobicContact CG1-CD1 3.82Å; V175-L208 HydrophobicContact CG2-CD2 4.31Å; V175-H360 CarbonylContact C-O 3.53Å; V175-H360 WeakPolarHBondContact CA-O 3.49Å; V175-H360 HydrophobicContact CG2-CB 4.2Å
176N96.2Very high97.4Very high31 Ų3152.9 Ų52.917%0.16626%0.26CS..EExtended strand (participates in β ladder)trans-66.9153.5176.567.849.9000111.4D162 G178 H179 F180 Q359 H360D162-N176 CarbonylContact O-C 3.56Å; D162-N176 WeakPolarHBondContact O-CA 3.19Å; N176-G178 VanDerWaalsContact C-N 3.27Å; N176-G178 PolarHBondContact O-N 3.26Å; N176-G178 PolarHBondContact OD1-N 3.02Å; N176-H179 PolarHBondContact ND2-ND1 3.09Å; N176-H179 PolarHBondContact O-N 3.29Å; N176-H179 VanDerWaalsContact O-N 3.08Å; N176-H179 WeakPolarHBondContact OD1-CB 3.42Å; N176-H179 PolarHBondContact OD1-N 3.18Å; N176-H179 PolarHBondContact OD1-ND1 3.09Å; N176-F180 PolarHBondContact O-N 2.83Å; N176-Q359 PolarHBondContact ND2-O 3.24Å; N176-H360 PolarHBondContact N-O 3.32Å; N176-H360 PolarHBondContact ND2-O 3.12Å; N176-H360 VanDerWaalsContact ND2-O 3.14Å
177R95.9Very high97.4Very high123 Ų12352.9 Ų52.946%0.46426%0.261SS..Hα-helixtrans-55.7-41.1-174.5-171.9177.7-177.988.73.4112.4F159 D162 H179 F180 S181F159-R177 HydrophobicContact CE1-CG 4.28Å; D162-R177 HydrophobicContact CB-CB 4.48Å; D162-R177 WeakPolarHBondContact O-CB 3.49Å; D162-R177 PolarHBondContact O-N 3.43Å; R177-H179 PolarHBondContact O-N 3.27Å; R177-F180 PolarHBondContact O-N 2.9Å; R177-S181 PolarHBondContact O-N 3.28Å; R177-S181 PolarHBondContact O-OG 3.23Å
178G95.9Very high97.4Very high28 Ų2856.9 Ų56.929%0.28928%0.276SS..Hα-helixtrans-61.6-41.317800000113.1N176 K182N176-G178 VanDerWaalsContact C-N 3.27Å; N176-G178 PolarHBondContact O-N 3.26Å; N176-G178 PolarHBondContact OD1-N 3.02Å; G178-K182 PolarHBondContact O-N 2.71Å
179H97.5Very high97.4Very high3 Ų359 Ų591%0.01428%0.283CS..Hα-helixtrans-75.5-32.9176.1-76.876.1000112.5V175 N176 R177 K182 L183 L252 Q359 H360V175-H179 HydrophobicContact CG2-CB 3.49Å; V175-H179 VanDerWaalsContact CG2-CB 3.49Å; N176-H179 PolarHBondContact ND2-ND1 3.09Å; N176-H179 PolarHBondContact O-N 3.29Å; N176-H179 VanDerWaalsContact O-N 3.08Å; N176-H179 WeakPolarHBondContact OD1-CB 3.42Å; N176-H179 PolarHBondContact OD1-N 3.18Å; N176-H179 PolarHBondContact OD1-ND1 3.09Å; R177-H179 PolarHBondContact O-N 3.27Å; H179-K182 WeakPolarHBondContact O-CB 3.33Å; H179-K182 PolarHBondContact O-N 3.28Å; H179-L183 VanDerWaalsContact O-CG 3.3Å; H179-L183 WeakPolarHBondContact O-CG 3.45Å; H179-L183 PolarHBondContact O-N 3.23Å; H179-L252 PolarHBondContact CD2-O 3.12Å; H179-L252 VanDerWaalsContact CD2-O 3.24Å; H179-L252 PolarHBondContact NE2-O 3Å; H179-Q359 PolarHBondContact CE1-O 3.33Å; H179-Q359 PolarHBondContact ND1-O 3.03Å; H179-Q359 WeakPolarHBondContact NE2-CG 3.3Å; H179-Q359 PolarHBondContact NE2-NE2 3.33Å; H179-H360 HydrophobicContact CB-CB 4.12Å
180F98.4Very high97.6Very high15 Ų1548.5 Ų48.57%0.06624%0.244CC..Hα-helixtrans-59.2-47.6171.8-171.6-95.5000111.3L157 F159 A164 L166 V175 N176 R177 K182 L183 E184 F200 L201 V204L157-F180 HydrophobicContact CD1-CE2 4.25Å; L157-F180 HydrophobicContact CD1-CZ 4.35Å; L157-F180 HydrophobicContact CD2-CE1 4.2Å; L157-F180 HydrophobicContact CD2-CE2 4.33Å; L157-F180 HydrophobicContact CD2-CZ 3.65Å; F159-F180 HydrophobicContact CZ-CD1 4.12Å; F159-F180 HydrophobicContact CZ-CE1 4.24Å; A164-F180 HydrophobicContact CB-CB 4.1Å; A164-F180 HydrophobicContact CB-CD2 3.78Å; A164-F180 HydrophobicContact CB-CE2 4.41Å; A164-F180 HydrophobicContact CB-CG 3.94Å; L166-F180 HydrophobicContact CD1-CD2 4.43Å; L166-F180 HydrophobicContact CD1-CE2 4.28Å; L166-F180 HydrophobicContact CD2-CE2 4.43Å; V175-F180 HydrophobicContact CG1-CB 4.08Å; V175-F180 HydrophobicContact CG1-CD2 3.96Å; N176-F180 PolarHBondContact O-N 2.83Å; R177-F180 PolarHBondContact O-N 2.9Å; F180-K182 PolarHBondContact O-N 3.19Å; F180-L183 PolarHBondContact O-N 2.93Å; F180-E184 PolarHBondContact O-N 3.24Å; F180-F200 HydrophobicContact CE1-CE1 4.19Å; F180-F200 HydrophobicContact CE2-CE1 4.24Å; F180-F200 AromaticContact CZ-CE1 3.7Å; F180-F200 HydrophobicContact CZ-CE1 3.7Å; F180-F200 HydrophobicContact CZ-CZ 4.35Å; F180-L201 HydrophobicContact CE2-CD2 4.26Å; F180-L201 HydrophobicContact CZ-CD2 3.9Å; F180-V204 HydrophobicContact CD2-CG1 4.46Å; F180-V204 HydrophobicContact CE2-CG1 4.33Å
181S98.4Very high97.7Very high59 Ų5946.3 Ų46.341%0.41322%0.218SC..Hα-helixtrans-64.2-36.6174.8-61.60000113R177 E184 L185R177-S181 PolarHBondContact O-N 3.28Å; R177-S181 PolarHBondContact O-OG 3.23Å; S181-E184 PolarHBondContact O-N 3.26Å; S181-L185 PolarHBondContact O-N 3.03Å
182K98.5Very high97.7Very high14 Ų1447.7 Ų47.76%0.06123%0.227CC..Hα-helixtrans-58.9-46.7172178.7-171.9172.5-170.30111.2G178 H179 F180 E184 L185 L186 P251 L252 C254G178-K182 PolarHBondContact O-N 2.71Å; H179-K182 WeakPolarHBondContact O-CB 3.33Å; H179-K182 PolarHBondContact O-N 3.28Å; F180-K182 PolarHBondContact O-N 3.19Å; K182-E184 VanDerWaalsContact C-N 3.33Å; K182-E184 PolarHBondContact O-N 3.21Å; K182-L185 PolarHBondContact O-N 3.23Å; K182-L186 HydrophobicContact CG-CD1 4.17Å; K182-L186 HydrophobicContact CG-CG 4.45Å; K182-L186 WeakPolarHBondContact O-CG 3.18Å; K182-L186 PolarHBondContact O-N 3.14Å; K182-P251 WeakPolarHBondContact CE-O 3.45Å; K182-P251 PolarHBondContact NZ-O 3.44Å; K182-L252 PolarHBondContact NZ-O 3.04Å; K182-C254 WeakPolarHBondContact CE-O 3.33Å; K182-C254 PolarHBondContact NZ-O 3.25Å; K182-C254 PolarHBondContact NZ-SG 3.48Å
183L98.8Very high97.7Very high1 Ų147.4 Ų47.41%0.00523%0.226CC..Hα-helixtrans-64-38.7179.4-69.7175.5000111.9H179 F180 L185 L186 Y187 V204 L207 P251 L252 F270H179-L183 VanDerWaalsContact O-CG 3.3Å; H179-L183 WeakPolarHBondContact O-CG 3.45Å; H179-L183 PolarHBondContact O-N 3.23Å; F180-L183 PolarHBondContact O-N 2.93Å; L183-L185 VanDerWaalsContact C-N 3.34Å; L183-L185 PolarHBondContact O-N 3.38Å; L183-L186 HydrophobicContact CD2-CD1 4.48Å; L183-L186 PolarHBondContact O-N 3.32Å; L183-Y187 VanDerWaalsContact O-CB 3.22Å; L183-Y187 WeakPolarHBondContact O-CB 3.49Å; L183-Y187 PolarHBondContact O-N 3.13Å; L183-V204 HydrophobicContact CD1-CG1 4.06Å; L183-L207 HydrophobicContact CD1-CD2 3.84Å; L183-L207 HydrophobicContact CD2-CD2 3.49Å; L183-L207 VanDerWaalsContact CD2-CD2 3.49Å; L183-L207 HydrophobicContact CG-CD2 4.31Å; L183-P251 HydrophobicContact CD2-CB 3.74Å; L183-L252 HydrophobicContact CD1-CD2 4.15Å; L183-L252 HydrophobicContact CD2-CD2 4.33Å; L183-F270 HydrophobicContact CB-CD1 4.29Å; L183-F270 HydrophobicContact CB-CE1 4.19Å; L183-F270 HydrophobicContact CD2-CD1 4.03Å; L183-F270 HydrophobicContact CD2-CE1 4.41Å; L183-F270 HydrophobicContact CD2-CG 4.48Å
184E98.6Very high97.7Very high90 Ų9047.5 Ų47.542%0.42123%0.227SC..Hα-helixtrans-59.7-44.5173.3-171179.5177.700111.7F180 S181 K182 Y187 R188 F197 F200F180-E184 PolarHBondContact O-N 3.24Å; S181-E184 PolarHBondContact O-N 3.26Å; K182-E184 VanDerWaalsContact C-N 3.33Å; K182-E184 PolarHBondContact O-N 3.21Å; E184-Y187 PolarHBondContact O-N 2.83Å; E184-R188 WeakPolarHBondContact O-CB 3.4Å; E184-R188 PolarHBondContact O-N 2.81Å; E184-F197 HydrophobicContact CG-CE1 4.18Å; E184-F200 HydrophobicContact CB-CE1 4.39Å; E184-F200 HydrophobicContact CB-CE2 4.29Å; E184-F200 HydrophobicContact CB-CZ 3.74Å; E184-F200 HydrophobicContact CG-CE1 4.5Å; E184-F200 HydrophobicContact CG-CZ 4.21Å
185L98.6Very high97.6Very high54 Ų5448.6 Ų48.628%0.28324%0.244SC..Hα-helixtrans-67.2-44178.1-174.356000112.4S181 K182 L183 Y187 R188 Y189 P418S181-L185 PolarHBondContact O-N 3.03Å; K182-L185 PolarHBondContact O-N 3.23Å; L183-L185 VanDerWaalsContact C-N 3.34Å; L183-L185 PolarHBondContact O-N 3.38Å; L185-Y187 VanDerWaalsContact C-N 3.29Å; L185-Y187 PolarHBondContact O-N 2.9Å; L185-R188 PolarHBondContact O-N 2.86Å; L185-Y189 HydrophobicContact CD1-CD2 4.18Å; L185-Y189 HydrophobicContact CD1-CE1 4.25Å; L185-Y189 HydrophobicContact CD1-CE2 3.51Å; L185-Y189 HydrophobicContact CD2-CE2 4.09Å; L185-Y189 HydrophobicContact CG-CD2 4.07Å; L185-Y189 HydrophobicContact CG-CE2 3.51Å; L185-Y189 VanDerWaalsContact O-CD2 3.29Å; L185-Y189 WeakPolarHBondContact O-CD2 3.44Å; L185-Y189 PolarHBondContact O-N 2.92Å; L185-Y189 VanDerWaalsContact O-N 3.1Å; L185-P418 HydrophobicContact CB-CG 4.44Å; L185-P418 HydrophobicContact CD2-CG 3.65Å; L185-P418 HydrophobicContact CG-CG 3.88Å
186L98.8Very high97.6Very high0 Ų058.1 Ų58.10%028%0.28CS..Hα-helixtrans-59.7-42174-75.3177000111.6K182 L183 Y189 S190 P251 K257 F270 P418K182-L186 HydrophobicContact CG-CD1 4.17Å; K182-L186 HydrophobicContact CG-CG 4.45Å; K182-L186 WeakPolarHBondContact O-CG 3.18Å; K182-L186 PolarHBondContact O-N 3.14Å; L183-L186 HydrophobicContact CD2-CD1 4.48Å; L183-L186 PolarHBondContact O-N 3.32Å; L186-Y189 PolarHBondContact O-N 2.79Å; L186-S190 WeakPolarHBondContact O-CB 3.35Å; L186-S190 PolarHBondContact O-N 3.46Å; L186-S190 VanDerWaalsContact O-N 3.08Å; L186-S190 PolarHBondContact O-OG 3.5Å; L186-P251 HydrophobicContact CD1-CB 4.29Å; L186-K257 HydrophobicContact CD2-CB 3.91Å; L186-F270 HydrophobicContact CB-CB 4.18Å; L186-P418 HydrophobicContact CD2-CB 4.18Å; L186-P418 HydrophobicContact CD2-CG 4.07Å; L186-P418 HydrophobicContact CG-CG 4.44Å
187Y98.8Very high97.7Very high1 Ų159.4 Ų59.40%0.00428%0.284CS..Hα-helixtrans-62.6-45.6176.9-165.2-99000111.4L183 E184 L185 Y189 S190 C191 D194 F197 F200 R203 F269 F270L183-Y187 VanDerWaalsContact O-CB 3.22Å; L183-Y187 WeakPolarHBondContact O-CB 3.49Å; L183-Y187 PolarHBondContact O-N 3.13Å; E184-Y187 PolarHBondContact O-N 2.83Å; L185-Y187 VanDerWaalsContact C-N 3.29Å; L185-Y187 PolarHBondContact O-N 2.9Å; Y187-Y189 VanDerWaalsContact C-N 3.27Å; Y187-Y189 PolarHBondContact O-N 2.78Å; Y187-S190 PolarHBondContact O-N 3.06Å; Y187-S190 VanDerWaalsContact O-N 3.14Å; Y187-C191 HydrophobicContact CD1-CB 3.84Å; Y187-C191 HydrophobicContact CD2-CB 3.89Å; Y187-C191 HydrophobicContact CE1-CB 3.77Å; Y187-C191 HydrophobicContact CE2-CB 3.81Å; Y187-C191 HydrophobicContact CG-CB 3.93Å; Y187-C191 WeakPolarHBondContact O-CB 3.42Å; Y187-C191 PolarHBondContact O-N 3.41Å; Y187-D194 HydrophobicContact CE1-CB 4.13Å; Y187-D194 WeakPolarHBondContact CE1-OD2 3.14Å; Y187-D194 VanDerWaalsContact OH-CB 3.27Å; Y187-D194 WeakPolarHBondContact OH-CB 3.42Å; Y187-D194 PolarHBondContact OH-OD2 3.14Å; Y187-F197 AromaticContact CD1-CD1 3.76Å; Y187-F197 HydrophobicContact CD1-CD1 3.76Å; Y187-F197 AromaticContact CD1-CE1 3.63Å; Y187-F197 HydrophobicContact CD1-CE1 3.63Å; Y187-F197 HydrophobicContact CD1-CG 4.42Å; Y187-F197 HydrophobicContact CD1-CZ 4.16Å; Y187-F197 HydrophobicContact CE1-CD1 4.13Å; Y187-F197 HydrophobicContact CE1-CE1 4.39Å; Y187-F197 HydrophobicContact CE1-CG 4.4Å; Y187-F200 HydrophobicContact CD1-CB 4.42Å; Y187-F200 AromaticContact CD1-CD2 3.74Å; Y187-F200 HydrophobicContact CD1-CD2 3.74Å; Y187-F200 HydrophobicContact CD1-CG 4.46Å; Y187-F200 AromaticContact CD2-CD2 3.92Å; Y187-F200 HydrophobicContact CD2-CD2 3.92Å; Y187-F200 HydrophobicContact CD2-CE2 4.5Å; Y187-F200 HydrophobicContact CE1-CB 4.04Å; Y187-F200 HydrophobicContact CE1-CD2 4.13Å; Y187-F200 HydrophobicContact CE2-CD2 4.3Å; Y187-F200 AromaticContact CG-CD2 3.59Å; Y187-F200 HydrophobicContact CG-CD2 3.59Å; Y187-F200 HydrophobicContact CG-CE2 4.08Å; Y187-R203 HydrophobicContact CE2-CB 4.42Å; Y187-R203 WeakPolarHBondContact OH-CD 3.32Å; Y187-R203 PolarHBondContact OH-NH1 2.74Å; Y187-F269 WeakPolarHBondContact CA-O 3.48Å; Y187-F269 HydrophobicContact CD2-CB 4.07Å; Y187-F269 WeakPolarHBondContact CD2-O 3.3Å; Y187-F269 HydrophobicContact CE2-CB 3.87Å; Y187-F270 HydrophobicContact CD2-CD1 4.04Å; Y187-F270 AromaticContact CD2-CE1 3.63Å; Y187-F270 HydrophobicContact CD2-CE1 3.63Å; Y187-F270 AromaticContact CD2-CZ 3.91Å; Y187-F270 HydrophobicContact CD2-CZ 3.91Å; Y187-F270 HydrophobicContact CE2-CZ 4.39Å; Y187-F270 HydrophobicContact CG-CE1 4.26Å
188R98.5Very high97.8Very high182 Ų18260.3 Ų60.369%0.68729%0.293SS*.Hα-helixtrans-58.2-36.8176.1-168.8173.9174.597.30.4113.1E184 L185 F197E184-R188 WeakPolarHBondContact O-CB 3.4Å; E184-R188 PolarHBondContact O-N 2.81Å; L185-R188 PolarHBondContact O-N 2.86Å; R188-F197 HydrophobicContact CB-CE1 4.45Å; R188-F197 HydrophobicContact CB-CZ 3.8Å; R188-F197 HydrophobicContact CG-CZ 4.05Å
189Y98Very high97.9Very high93 Ų9361 Ų6137%0.36529%0.288SS..Hα-helixtrans-79.1-23178.7-68.9-39.2000114.3L185 L186 Y187 K257 P418 Q420L185-Y189 HydrophobicContact CD1-CD2 4.18Å; L185-Y189 HydrophobicContact CD1-CE1 4.25Å; L185-Y189 HydrophobicContact CD1-CE2 3.51Å; L185-Y189 HydrophobicContact CD2-CE2 4.09Å; L185-Y189 HydrophobicContact CG-CD2 4.07Å; L185-Y189 HydrophobicContact CG-CE2 3.51Å; L185-Y189 VanDerWaalsContact O-CD2 3.29Å; L185-Y189 WeakPolarHBondContact O-CD2 3.44Å; L185-Y189 PolarHBondContact O-N 2.92Å; L185-Y189 VanDerWaalsContact O-N 3.1Å; L186-Y189 PolarHBondContact O-N 2.79Å; Y187-Y189 VanDerWaalsContact C-N 3.27Å; Y187-Y189 PolarHBondContact O-N 2.78Å; Y189-K257 HydrophobicContact CD2-CB 4.49Å; Y189-K257 HydrophobicContact CD2-CD 4.08Å; Y189-K257 HydrophobicContact CE2-CD 4.5Å; Y189-K257 HydrophobicContact CG-CD 4.44Å; Y189-P418 HydrophobicContact CE2-CG 4.21Å; Y189-Q420 PolarHBondContact OH-NE2 3.42Å
190S98.4Very high97.9Very high2 Ų261.4 Ų61.41%0.01429%0.29CS..Hα-helixtrans-118.3-38.9-161.8-52.30000112.9R144 L186 Y187 F269 G271R144-S190 PolarHBondContact NH1-O 3.28Å; R144-S190 PolarHBondContact NH2-O 2.85Å; L186-S190 WeakPolarHBondContact O-CB 3.35Å; L186-S190 PolarHBondContact O-N 3.46Å; L186-S190 VanDerWaalsContact O-N 3.08Å; L186-S190 PolarHBondContact O-OG 3.5Å; Y187-S190 PolarHBondContact O-N 3.06Å; Y187-S190 VanDerWaalsContact O-N 3.14Å; S190-F269 WeakPolarHBondContact CB-O 3.29Å; S190-G271 VanDerWaalsContact CB-N 3.34Å; S190-G271 WeakPolarHBondContact OG-CA 3.35Å; S190-G271 PolarHBondContact OG-N 3.08Å; S190-G271 VanDerWaalsContact OG-N 3.16Å
191C98.1Very high97.9Very high18 Ų1863 Ų6312%0.12230%0.299CS..  trans-77.2130.8-179.8-174.80000111Y187 D193 R203Y187-C191 HydrophobicContact CD1-CB 3.84Å; Y187-C191 HydrophobicContact CD2-CB 3.89Å; Y187-C191 HydrophobicContact CE1-CB 3.77Å; Y187-C191 HydrophobicContact CE2-CB 3.81Å; Y187-C191 HydrophobicContact CG-CB 3.93Å; Y187-C191 WeakPolarHBondContact O-CB 3.42Å; Y187-C191 PolarHBondContact O-N 3.41Å; C191-D193 PolarHBondContact SG-OD1 3.09Å; C191-R203 PolarHBondContact SG-NH1 2.78Å
192I97.5Very high97.9Very high125 Ų12560.7 Ų60.764%0.64128%0.284SS*.  trans-120-7.1-179.862.7170.9000113.1
193D96.5Very high97.9Very high56 Ų5660.4 Ų60.430%0.29928%0.282SS..SBendtrans-109.414.2-175.281.4-43.1000113.2T149 C191 K199 R203T149-D193 PolarHBondContact OG1-OD2 2.7Å; C191-D193 PolarHBondContact SG-OD1 3.09Å; D193-K199 PolarHBondContact O-NZ 3.4Å; D193-K199 IonicContact OD2-NZ 2.7Å; D193-K199 PolarHBondContact OD2-NZ 3.01Å; D193-R203 VanDerWaalsContact CG-NH2 3.29Å; D193-R203 IonicContact OD1-CZ 3.41Å; D193-R203 IonicContact OD1-NH1 3.24Å; D193-R203 PolarHBondContact OD1-NH1 3.32Å; D193-R203 IonicContact OD1-NH2 2.77Å; D193-R203 PolarHBondContact OD1-NH2 3.48Å; D193-R203 IonicContact OD2-CZ 2.76Å; D193-R203 IonicContact OD2-NH1 3.83Å; D193-R203 IonicContact OD2-NH2 3.75Å; D193-R203 PolarHBondContact OD2-NH2 3.32Å
194D97.2Very high97.9Very high7 Ų760.3 Ų60.34%0.03728%0.282CS..  trans-147.464.4-179-172.726.3000112.3Y187 R196 F197 E198 K199 F200Y187-D194 HydrophobicContact CE1-CB 4.13Å; Y187-D194 WeakPolarHBondContact CE1-OD2 3.14Å; Y187-D194 VanDerWaalsContact OH-CB 3.27Å; Y187-D194 WeakPolarHBondContact OH-CB 3.42Å; Y187-D194 PolarHBondContact OH-OD2 3.14Å; D194-R196 PolarHBondContact O-N 2.89Å; D194-R196 VanDerWaalsContact O-N 3.13Å; D194-F197 PolarHBondContact O-N 3.31Å; D194-F197 VanDerWaalsContact O-N 3.14Å; D194-F197 PolarHBondContact OD1-N 3.46Å; D194-F197 VanDerWaalsContact OD2-C 3.27Å; D194-F197 VanDerWaalsContact OD2-CA 3.23Å; D194-F197 WeakPolarHBondContact OD2-CA 3.33Å; D194-E198 PolarHBondContact OD1-N 3.12Å; D194-E198 PolarHBondContact OD2-N 2.98Å; D194-K199 HydrophobicContact CB-CB 4.35Å; D194-K199 HydrophobicContact CB-CD 4.22Å; D194-K199 PolarHBondContact OD1-N 3.43Å; D194-K199 WeakPolarHBondContact OD2-CA 3.31Å; D194-K199 WeakPolarHBondContact OD2-CB 3.33Å; D194-K199 PolarHBondContact OD2-N 3.45Å; D194-F200 PolarHBondContact OD2-N 2.85Å
195P94.6Very high97.9Very high118 Ų11857.3 Ų57.377%0.76627%0.266SS*.THydrogen-bonded Turntrans-63.6-21.4-173.326.4-35.5000113.9
196R96.8Very high97.9Very high200 Ų20057.6 Ų57.676%0.75527%0.272SS*.THydrogen-bonded Turntrans-102.44.4-179.3-67.9179.6-178.7174.21.1113.7D194 E198D194-R196 PolarHBondContact O-N 2.89Å; D194-R196 VanDerWaalsContact O-N 3.13Å; R196-E198 HydrophobicContact CB-CG 3.87Å; R196-E198 VanDerWaalsContact CD-OE1 3.27Å; R196-E198 WeakPolarHBondContact CD-OE1 3.49Å; R196-E198 IonicContact NH1-OE1 3.82Å; R196-E198 PolarHBondContact O-N 2.79Å
197F97.7Very high97.9Very high58 Ų5857.6 Ų57.625%0.25427%0.272SS..  trans60.527179.9-68.5-119.4000113E184 Y187 R188 D194 K199 F200E184-F197 HydrophobicContact CG-CE1 4.18Å; Y187-F197 AromaticContact CD1-CD1 3.76Å; Y187-F197 HydrophobicContact CD1-CD1 3.76Å; Y187-F197 AromaticContact CD1-CE1 3.63Å; Y187-F197 HydrophobicContact CD1-CE1 3.63Å; Y187-F197 HydrophobicContact CD1-CG 4.42Å; Y187-F197 HydrophobicContact CD1-CZ 4.16Å; Y187-F197 HydrophobicContact CE1-CD1 4.13Å; Y187-F197 HydrophobicContact CE1-CE1 4.39Å; Y187-F197 HydrophobicContact CE1-CG 4.4Å; R188-F197 HydrophobicContact CB-CE1 4.45Å; R188-F197 HydrophobicContact CB-CZ 3.8Å; R188-F197 HydrophobicContact CG-CZ 4.05Å; D194-F197 PolarHBondContact O-N 3.31Å; D194-F197 VanDerWaalsContact O-N 3.14Å; D194-F197 PolarHBondContact OD1-N 3.46Å; D194-F197 VanDerWaalsContact OD2-C 3.27Å; D194-F197 VanDerWaalsContact OD2-CA 3.23Å; D194-F197 WeakPolarHBondContact OD2-CA 3.33Å; F197-K199 VanDerWaalsContact C-N 3.27Å; F197-K199 PolarHBondContact O-N 3.24Å; F197-F200 HydrophobicContact CB-CB 4.01Å; F197-F200 HydrophobicContact CD1-CB 4.13Å; F197-F200 HydrophobicContact CD1-CD2 4.33Å; F197-F200 HydrophobicContact CD1-CG 4.1Å; F197-F200 WeakPolarHBondContact O-CB 3.2Å; F197-F200 PolarHBondContact O-N 3.32Å
198E97.2Very high97.9Very high142 Ų14258 Ų5866%0.66427%0.274SS*.SBendtrans-68.2-30.2-179.5-68171.2-176.700111.3D194 R196D194-E198 PolarHBondContact OD1-N 3.12Å; D194-E198 PolarHBondContact OD2-N 2.98Å; R196-E198 HydrophobicContact CB-CG 3.87Å; R196-E198 VanDerWaalsContact CD-OE1 3.27Å; R196-E198 WeakPolarHBondContact CD-OE1 3.49Å; R196-E198 IonicContact NH1-OE1 3.82Å; R196-E198 PolarHBondContact O-N 2.79Å
199K98.2Very high97.9Very high43 Ų4351.8 Ų51.819%0.18725%0.252CS..SBendtrans-96.2-7.7-179.2-58.9171.2-170.71610112.9T149 L152 D193 D194 F197 L201 A202 R203T149-K199 HydrophobicContact CG2-CD 4.15Å; L152-K199 HydrophobicContact CD1-CB 3.79Å; L152-K199 HydrophobicContact CD1-CG 4.11Å; L152-K199 HydrophobicContact CG-CG 4.43Å; D193-K199 PolarHBondContact O-NZ 3.4Å; D193-K199 IonicContact OD2-NZ 2.7Å; D193-K199 PolarHBondContact OD2-NZ 3.01Å; D194-K199 HydrophobicContact CB-CB 4.35Å; D194-K199 HydrophobicContact CB-CD 4.22Å; D194-K199 PolarHBondContact OD1-N 3.43Å; D194-K199 WeakPolarHBondContact OD2-CA 3.31Å; D194-K199 WeakPolarHBondContact OD2-CB 3.33Å; D194-K199 PolarHBondContact OD2-N 3.45Å; F197-K199 VanDerWaalsContact C-N 3.27Å; F197-K199 PolarHBondContact O-N 3.24Å; K199-L201 PolarHBondContact O-N 2.57Å; K199-A202 PolarHBondContact O-N 2.62Å; K199-R203 WeakPolarHBondContact O-CG 3.49Å; K199-R203 PolarHBondContact O-N 3.44Å
200F98.6Very high97.8Very high12 Ų1251.1 Ų51.15%0.05325%0.249CC..Hα-helixtrans-55.9-53.5-171174.1-114.4000112.9F180 E184 Y187 D194 F197 A202 R203 V204 F270F180-F200 HydrophobicContact CE1-CE1 4.19Å; F180-F200 HydrophobicContact CE2-CE1 4.24Å; F180-F200 AromaticContact CZ-CE1 3.7Å; F180-F200 HydrophobicContact CZ-CE1 3.7Å; F180-F200 HydrophobicContact CZ-CZ 4.35Å; E184-F200 HydrophobicContact CB-CE1 4.39Å; E184-F200 HydrophobicContact CB-CE2 4.29Å; E184-F200 HydrophobicContact CB-CZ 3.74Å; E184-F200 HydrophobicContact CG-CE1 4.5Å; E184-F200 HydrophobicContact CG-CZ 4.21Å; Y187-F200 HydrophobicContact CD1-CB 4.42Å; Y187-F200 AromaticContact CD1-CD2 3.74Å; Y187-F200 HydrophobicContact CD1-CD2 3.74Å; Y187-F200 HydrophobicContact CD1-CG 4.46Å; Y187-F200 AromaticContact CD2-CD2 3.92Å; Y187-F200 HydrophobicContact CD2-CD2 3.92Å; Y187-F200 HydrophobicContact CD2-CE2 4.5Å; Y187-F200 HydrophobicContact CE1-CB 4.04Å; Y187-F200 HydrophobicContact CE1-CD2 4.13Å; Y187-F200 HydrophobicContact CE2-CD2 4.3Å; Y187-F200 AromaticContact CG-CD2 3.59Å; Y187-F200 HydrophobicContact CG-CD2 3.59Å; Y187-F200 HydrophobicContact CG-CE2 4.08Å; D194-F200 PolarHBondContact OD2-N 2.85Å; F197-F200 HydrophobicContact CB-CB 4.01Å; F197-F200 HydrophobicContact CD1-CB 4.13Å; F197-F200 HydrophobicContact CD1-CD2 4.33Å; F197-F200 HydrophobicContact CD1-CG 4.1Å; F197-F200 WeakPolarHBondContact O-CB 3.2Å; F197-F200 PolarHBondContact O-N 3.32Å; F200-A202 VanDerWaalsContact C-N 3.34Å; F200-A202 PolarHBondContact O-N 3.21Å; F200-R203 PolarHBondContact O-N 3.18Å; F200-V204 HydrophobicContact CD2-CG2 3.9Å; F200-V204 HydrophobicContact CE1-CG2 4.15Å; F200-V204 HydrophobicContact CE2-CG2 3.47Å; F200-V204 VanDerWaalsContact CE2-CG2 3.47Å; F200-V204 HydrophobicContact CG-CG2 4.41Å; F200-V204 HydrophobicContact CZ-CG2 3.61Å; F200-V204 WeakPolarHBondContact O-CG2 3.43Å; F200-V204 PolarHBondContact O-N 3.09Å; F200-F270 HydrophobicContact CD2-CE1 4.44Å; F200-F270 HydrophobicContact CE2-CE1 4.06Å
201L98.6Very high97.7Very high49 Ų4951.2 Ų51.226%0.25725%0.249SC..Hα-helixtrans-63.6-38.8-176.5-62.9-177.8000112.8V155 L157 L166 F180 K199 V204 W205V155-L201 HydrophobicContact CB-CB 4.13Å; V155-L201 HydrophobicContact CG1-CB 4.38Å; L157-L201 HydrophobicContact CB-CD1 4.08Å; L157-L201 HydrophobicContact CB-CD2 4.35Å; L157-L201 HydrophobicContact CD2-CD2 3.91Å; L166-L201 HydrophobicContact CD2-CD2 4.37Å; F180-L201 HydrophobicContact CE2-CD2 4.26Å; F180-L201 HydrophobicContact CZ-CD2 3.9Å; K199-L201 PolarHBondContact O-N 2.57Å; L201-V204 PolarHBondContact O-N 2.94Å; L201-W205 WeakPolarHBondContact O-CB 3.5Å; L201-W205 PolarHBondContact O-N 3.14Å
202A98.5Very high97.5Very high10 Ų1054.1 Ų54.18%0.08326%0.261CS..Hα-helixtrans-64.7-41.7176.200000111.6L152 V155 K199 F200 W205 C206L152-A202 HydrophobicContact CB-CB 3.8Å; L152-A202 HydrophobicContact CD1-CB 3.65Å; L152-A202 HydrophobicContact CG-CB 4.35Å; V155-A202 HydrophobicContact CG2-CB 4.09Å; K199-A202 PolarHBondContact O-N 2.62Å; F200-A202 VanDerWaalsContact C-N 3.34Å; F200-A202 PolarHBondContact O-N 3.21Å; A202-W205 PolarHBondContact O-N 3.27Å; A202-C206 PolarHBondContact O-N 2.8Å; A202-C206 PolarHBondContact O-SG 2.81Å; A202-C206 VanDerWaalsContact O-SG 3.38Å
203R98.7Very high97.3Very high7 Ų753 Ų533%0.02626%0.26CS..Hα-helixtrans-68.5-39.3176.1-71.6172.7174.5171.9-6.7112.2T149 L152 Y187 C191 D193 K199 F200 W205 C206 L207 I266 F269 F270T149-R203 PolarHBondContact OG1-NH2 3.19Å; L152-R203 HydrophobicContact CD1-CG 4.08Å; Y187-R203 HydrophobicContact CE2-CB 4.42Å; Y187-R203 WeakPolarHBondContact OH-CD 3.32Å; Y187-R203 PolarHBondContact OH-NH1 2.74Å; C191-R203 PolarHBondContact SG-NH1 2.78Å; D193-R203 VanDerWaalsContact CG-NH2 3.29Å; D193-R203 IonicContact OD1-CZ 3.41Å; D193-R203 IonicContact OD1-NH1 3.24Å; D193-R203 PolarHBondContact OD1-NH1 3.32Å; D193-R203 IonicContact OD1-NH2 2.77Å; D193-R203 PolarHBondContact OD1-NH2 3.48Å; D193-R203 IonicContact OD2-CZ 2.76Å; D193-R203 IonicContact OD2-NH1 3.83Å; D193-R203 IonicContact OD2-NH2 3.75Å; D193-R203 PolarHBondContact OD2-NH2 3.32Å; K199-R203 WeakPolarHBondContact O-CG 3.49Å; K199-R203 PolarHBondContact O-N 3.44Å; F200-R203 PolarHBondContact O-N 3.18Å; R203-W205 VanDerWaalsContact C-N 3.34Å; R203-C206 PolarHBondContact O-N 3.46Å; R203-L207 VanDerWaalsContact O-CB 3.3Å; R203-L207 WeakPolarHBondContact O-CB 3.12Å; R203-L207 PolarHBondContact O-N 3.29Å; R203-I266 HydrophobicContact CB-CD1 4.1Å; R203-I266 HydrophobicContact CG-CD1 4.32Å; R203-I266 WeakPolarHBondContact O-CD1 3.31Å; R203-F269 HydrophobicContact CG-CD2 4.32Å; R203-F269 VanDerWaalsContact CZ-CD1 3.46Å; R203-F269 VanDerWaalsContact NH2-CZ 3.34Å; R203-F270 HydrophobicContact CB-CE2 4.23Å; R203-F270 HydrophobicContact CB-CZ 4.09Å
204V98.8Very high97.2Very high0 Ų054.9 Ų54.90%027%0.268CS..Hα-helixtrans-62.8-42.4173.2173.40000110.9L166 F180 L183 F200 L201 L207 L208 F270L166-V204 HydrophobicContact CD1-CG1 4.25Å; L166-V204 HydrophobicContact CD2-CB 3.91Å; L166-V204 HydrophobicContact CD2-CG1 3.64Å; F180-V204 HydrophobicContact CD2-CG1 4.46Å; F180-V204 HydrophobicContact CE2-CG1 4.33Å; L183-V204 HydrophobicContact CD1-CG1 4.06Å; F200-V204 HydrophobicContact CD2-CG2 3.9Å; F200-V204 HydrophobicContact CE1-CG2 4.15Å; F200-V204 HydrophobicContact CE2-CG2 3.47Å; F200-V204 VanDerWaalsContact CE2-CG2 3.47Å; F200-V204 HydrophobicContact CG-CG2 4.41Å; F200-V204 HydrophobicContact CZ-CG2 3.61Å; F200-V204 WeakPolarHBondContact O-CG2 3.43Å; F200-V204 PolarHBondContact O-N 3.09Å; L201-V204 PolarHBondContact O-N 2.94Å; V204-L207 WeakPolarHBondContact O-CB 3.39Å; V204-L207 PolarHBondContact O-N 3.48Å; V204-L208 HydrophobicContact CG1-CD1 3.85Å; V204-L208 HydrophobicContact CG1-CG 4.3Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.45Å; V204-L208 PolarHBondContact O-N 3.4Å; V204-F270 HydrophobicContact CG2-CE1 3.93Å; V204-F270 HydrophobicContact CG2-CZ 3.85Å
205W98.8Very high96.8Very high26 Ų2655.8 Ų55.810%0.09827%0.272CS..Hα-helixtrans-61-47.6176.1-170.798.2000111.5V155 L166 F168 E171 V173 L201 A202 R203 L207 L208 K209V155-W205 HydrophobicContact CG1-CB 4.09Å; V155-W205 HydrophobicContact CG1-CG 4.32Å; V155-W205 HydrophobicContact CG2-CB 4.21Å; V155-W205 HydrophobicContact CG2-CG 4.5Å; L166-W205 HydrophobicContact CD2-CB 4.4Å; F168-W205 HydrophobicContact CB-CD2 3.94Å; F168-W205 HydrophobicContact CB-CG 4.24Å; F168-W205 HydrophobicContact CB-CZ2 4.01Å; F168-W205 HydrophobicContact CD1-CE3 4.41Å; F168-W205 AromaticContact CD1-CH2 4Å; F168-W205 HydrophobicContact CD1-CH2 4Å; F168-W205 HydrophobicContact CD1-CZ2 4.19Å; F168-W205 HydrophobicContact CD1-CZ3 4.11Å; E171-W205 HydrophobicContact CB-CZ2 3.84Å; E171-W205 PolarHBondContact O-NE1 3.04Å; V173-W205 HydrophobicContact CG2-CG 4.05Å; L201-W205 WeakPolarHBondContact O-CB 3.5Å; L201-W205 PolarHBondContact O-N 3.14Å; A202-W205 PolarHBondContact O-N 3.27Å; R203-W205 VanDerWaalsContact C-N 3.34Å; W205-L207 PolarHBondContact O-N 2.57Å; W205-L208 PolarHBondContact O-N 2.95Å; W205-K209 HydrophobicContact CE3-CB 4.13Å; W205-K209 HydrophobicContact CH2-CB 4.08Å; W205-K209 HydrophobicContact CH2-CD 3.98Å; W205-K209 HydrophobicContact CH2-CG 3.74Å; W205-K209 HydrophobicContact CZ2-CB 4.47Å; W205-K209 HydrophobicContact CZ2-CD 4.19Å; W205-K209 HydrophobicContact CZ2-CG 4.33Å; W205-K209 HydrophobicContact CZ3-CB 3.9Å; W205-K209 HydrophobicContact CZ3-CG 3.92Å; W205-K209 VanDerWaalsContact O-CB 3.26Å; W205-K209 WeakPolarHBondContact O-CB 3.35Å; W205-K209 PolarHBondContact O-N 3.34Å
206C98.6Very high96.4Very high60 Ų6051.6 Ų51.641%0.40525%0.25SC..Hα-helixtrans-60.4-42.5176-740000112.5A202 R203 R210 I266A202-C206 PolarHBondContact O-N 2.8Å; A202-C206 PolarHBondContact O-SG 2.81Å; A202-C206 VanDerWaalsContact O-SG 3.38Å; R203-C206 PolarHBondContact O-N 3.46Å; C206-R210 WeakPolarHBondContact O-CB 3.5Å; C206-R210 PolarHBondContact O-N 2.86Å; C206-I266 HydrophobicContact CB-CD1 3.77Å; C206-I266 HydrophobicContact CB-CG1 4.17Å
207L98.7Very high95.4Very high0 Ų047.2 Ų47.20%025%0.25CS..Hα-helixtrans-58.4-54.8176.417473.7000110.8L183 R203 V204 W205 K209 R210 Y211 P251 L252 I266 D267 F270L183-L207 HydrophobicContact CD1-CD2 3.84Å; L183-L207 HydrophobicContact CD2-CD2 3.49Å; L183-L207 VanDerWaalsContact CD2-CD2 3.49Å; L183-L207 HydrophobicContact CG-CD2 4.31Å; R203-L207 VanDerWaalsContact O-CB 3.3Å; R203-L207 WeakPolarHBondContact O-CB 3.12Å; R203-L207 PolarHBondContact O-N 3.29Å; V204-L207 WeakPolarHBondContact O-CB 3.39Å; V204-L207 PolarHBondContact O-N 3.48Å; W205-L207 PolarHBondContact O-N 2.57Å; L207-K209 PolarHBondContact O-N 2.88Å; L207-R210 WeakPolarHBondContact O-CB 3.37Å; L207-R210 PolarHBondContact O-N 2.86Å; L207-Y211 HydrophobicContact CD1-CD2 3.85Å; L207-Y211 HydrophobicContact CD1-CE2 3.63Å; L207-Y211 HydrophobicContact CG-CD2 4.37Å; L207-Y211 WeakPolarHBondContact O-CD2 3.33Å; L207-Y211 PolarHBondContact O-N 3.05Å; L207-Y211 VanDerWaalsContact O-N 3.08Å; L207-P251 HydrophobicContact CD1-CB 4.23Å; L207-P251 HydrophobicContact CD1-CG 3.76Å; L207-P251 HydrophobicContact CD2-CB 4.05Å; L207-P251 HydrophobicContact CD2-CG 4.44Å; L207-L252 HydrophobicContact CD2-CD2 4.27Å; L207-I266 HydrophobicContact CB-CG1 3.95Å; L207-I266 HydrophobicContact CD1-CG1 4.47Å; L207-I266 HydrophobicContact CD1-CG2 4.48Å; L207-D267 WeakPolarHBondContact CD1-OD1 3.37Å; L207-F270 HydrophobicContact CB-CE2 4.23Å; L207-F270 HydrophobicContact CD1-CD2 4.46Å; L207-F270 HydrophobicContact CD2-CD2 4.11Å; L207-F270 HydrophobicContact CD2-CE2 4.03Å; L207-F270 HydrophobicContact CD2-CG 4.43Å; L207-F270 HydrophobicContact CD2-CZ 4.27Å
208L97.9Very high94.1Very high9 Ų946.2 Ų46.25%0.04726%0.256CS..Hα-helixtrans-63.3-43.7-178.5-67.1172.2000111.1L166 V173 V175 V204 W205 R210 Y211 Q212 L252L166-L208 HydrophobicContact CD1-CD1 4.01Å; V173-L208 HydrophobicContact CB-CB 3.94Å; V173-L208 HydrophobicContact CB-CD1 4.32Å; V173-L208 HydrophobicContact CG1-CB 4.41Å; V173-L208 HydrophobicContact CG2-CB 3.83Å; V173-L208 HydrophobicContact CG2-CD1 3.75Å; V173-L208 HydrophobicContact CG2-CG 4.46Å; V175-L208 HydrophobicContact CB-CD1 3.93Å; V175-L208 HydrophobicContact CB-CD2 4.01Å; V175-L208 HydrophobicContact CG1-CD1 3.82Å; V175-L208 HydrophobicContact CG2-CD2 4.31Å; V204-L208 HydrophobicContact CG1-CD1 3.85Å; V204-L208 HydrophobicContact CG1-CG 4.3Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.45Å; V204-L208 PolarHBondContact O-N 3.4Å; W205-L208 PolarHBondContact O-N 2.95Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 3.37Å; L208-Y211 PolarHBondContact O-N 3.35Å; L208-Q212 WeakPolarHBondContact O-CB 3.43Å; L208-Q212 PolarHBondContact O-N 3.44Å; L208-L252 HydrophobicContact CD2-CD1 4.42Å; L208-L252 HydrophobicContact CD2-CD2 3.83Å
209K97.6Very high92.6Very high52 Ų5243.9 Ų43.923%0.22626%0.261CS..Hα-helixtrans-62.9-40.2177.1-172.470.6-175.3-165.10111.6E171 V173 W205 L207 Q212 V213E171-K209 IonicContact OE1-NZ 2.72Å; E171-K209 VanDerWaalsContact OE2-CE 3.27Å; E171-K209 WeakPolarHBondContact OE2-CE 3.35Å; E171-K209 IonicContact OE2-NZ 3.93Å; E171-K209 PolarHBondContact OE2-NZ 3.43Å; V173-K209 HydrophobicContact CG1-CB 4.23Å; V173-K209 HydrophobicContact CG1-CD 4.2Å; W205-K209 HydrophobicContact CE3-CB 4.13Å; W205-K209 HydrophobicContact CH2-CB 4.08Å; W205-K209 HydrophobicContact CH2-CD 3.98Å; W205-K209 HydrophobicContact CH2-CG 3.74Å; W205-K209 HydrophobicContact CZ2-CB 4.47Å; W205-K209 HydrophobicContact CZ2-CD 4.19Å; W205-K209 HydrophobicContact CZ2-CG 4.33Å; W205-K209 HydrophobicContact CZ3-CB 3.9Å; W205-K209 HydrophobicContact CZ3-CG 3.92Å; W205-K209 VanDerWaalsContact O-CB 3.26Å; W205-K209 WeakPolarHBondContact O-CB 3.35Å; W205-K209 PolarHBondContact O-N 3.34Å; L207-K209 PolarHBondContact O-N 2.88Å; K209-Q212 PolarHBondContact O-N 3.28Å; K209-V213 VanDerWaalsContact O-CG2 3.29Å; K209-V213 WeakPolarHBondContact O-CG2 3.33Å; K209-V213 PolarHBondContact O-N 3.38Å
210R97.8Very high91.1Very high79 Ų7948.6 Ų48.630%0.29829%0.288SS..Hα-helixtrans-59.1-50.6176.7176.764.460.972.55.6111.2C206 L207 L208 V213 M214 F263 D265 I266C206-R210 WeakPolarHBondContact O-CB 3.5Å; C206-R210 PolarHBondContact O-N 2.86Å; L207-R210 WeakPolarHBondContact O-CB 3.37Å; L207-R210 PolarHBondContact O-N 2.86Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 3.37Å; R210-V213 PolarHBondContact O-N 2.88Å; R210-M214 PolarHBondContact O-N 3.41Å; R210-F263 HydrophobicContact CG-CB 4.39Å; R210-F263 HydrophobicContact CG-CD1 4.18Å; R210-F263 HydrophobicContact CG-CD2 3.47Å; R210-F263 VanDerWaalsContact CG-CD2 3.47Å; R210-F263 HydrophobicContact CG-CE1 4.35Å; R210-F263 HydrophobicContact CG-CE2 3.67Å; R210-F263 HydrophobicContact CG-CG 3.75Å; R210-F263 HydrophobicContact CG-CZ 4.12Å; R210-D265 IonicContact CZ-OD1 3.78Å; R210-D265 IonicContact CZ-OD2 2.86Å; R210-D265 IonicContact NH1-OD1 3.55Å; R210-D265 PolarHBondContact NH1-OD1 3.18Å; R210-D265 IonicContact NH1-OD2 3.6Å; R210-D265 PolarHBondContact NH1-OD2 3.37Å; R210-D265 IonicContact NH2-OD1 3.88Å; R210-D265 IonicContact NH2-OD2 2.67Å; R210-D265 PolarHBondContact NH2-OD2 2.92Å; R210-I266 HydrophobicContact CG-CG2 4.42Å
211Y95.4Very high90.1Very high4 Ų453.6 Ų53.62%0.01631%0.312CS..Hα-helixtrans-69.5-35.6179.9-81.2-76.6000112.3L207 L208 V213 M214 F215 S250 L252 F263 D267L207-Y211 HydrophobicContact CD1-CD2 3.85Å; L207-Y211 HydrophobicContact CD1-CE2 3.63Å; L207-Y211 HydrophobicContact CG-CD2 4.37Å; L207-Y211 WeakPolarHBondContact O-CD2 3.33Å; L207-Y211 PolarHBondContact O-N 3.05Å; L207-Y211 VanDerWaalsContact O-N 3.08Å; L208-Y211 PolarHBondContact O-N 3.35Å; Y211-V213 VanDerWaalsContact C-N 3.33Å; Y211-V213 PolarHBondContact O-N 3.35Å; Y211-M214 PolarHBondContact O-N 3.29Å; Y211-F215 HydrophobicContact CD1-CE2 4.27Å; Y211-F215 HydrophobicContact CD1-CZ 4.34Å; Y211-F215 WeakPolarHBondContact O-CB 3.35Å; Y211-F215 WeakPolarHBondContact O-CD2 3.23Å; Y211-F215 VanDerWaalsContact O-CG 3.27Å; Y211-F215 WeakPolarHBondContact O-CG 3.4Å; Y211-F215 PolarHBondContact O-N 2.83Å; Y211-S250 WeakPolarHBondContact OH-CB 3.4Å; Y211-L252 HydrophobicContact CD2-CD1 3.98Å; Y211-L252 HydrophobicContact CG-CD1 3.9Å; Y211-F263 HydrophobicContact CD1-CE2 4.26Å; Y211-F263 HydrophobicContact CE1-CD2 4.07Å; Y211-F263 AromaticContact CE1-CE2 3.89Å; Y211-F263 HydrophobicContact CE1-CE2 3.89Å; Y211-F263 HydrophobicContact CE2-CD2 4.01Å; Y211-F263 HydrophobicContact CE2-CE2 4.5Å; Y211-F263 AromaticContact CZ-CD2 3.7Å; Y211-D267 WeakPolarHBondContact CE2-OD1 3.34Å; Y211-D267 PolarHBondContact OH-OD2 2.85Å
212Q93.3Very high89Confident80 Ų8052.3 Ų52.337%0.37431%0.311SS..Hα-helixtrans-59.3-42.6171.1-173.4-176.3600111.9L208 K209 G216L208-Q212 WeakPolarHBondContact O-CB 3.43Å; L208-Q212 PolarHBondContact O-N 3.44Å; K209-Q212 PolarHBondContact O-N 3.28Å; Q212-G216 PolarHBondContact O-N 3.26Å
213V94.4Very high87.6Confident102 Ų10256.4 Ų56.462%0.61834%0.339SS*.Hα-helixtrans-69.5-39.2177.2171.50000111.7K209 R210 Y211 G216K209-V213 VanDerWaalsContact O-CG2 3.29Å; K209-V213 WeakPolarHBondContact O-CG2 3.33Å; K209-V213 PolarHBondContact O-N 3.38Å; R210-V213 PolarHBondContact O-N 2.88Å; Y211-V213 VanDerWaalsContact C-N 3.33Å; Y211-V213 PolarHBondContact O-N 3.35Å; V213-G216 PolarHBondContact O-N 3.02Å
214M93.1Very high86.1Confident94 Ų9457.4 Ų57.446%0.46335%0.351SS..Hα-helixtrans-62.5-42.7177.4178.258.6-179.100112.1R210 Y211 L225 F263R210-M214 PolarHBondContact O-N 3.41Å; Y211-M214 PolarHBondContact O-N 3.29Å; M214-L225 HydrophobicContact CE-CD1 4.06Å; M214-F263 HydrophobicContact CB-CE2 4.23Å; M214-F263 HydrophobicContact CB-CZ 4.03Å; M214-F263 HydrophobicContact CG-CE2 4.27Å; M214-F263 HydrophobicContact CG-CZ 3.98Å; M214-F263 HydrophobicContact SD-CZ 4.1Å
215F88.6Confident85Confident26 Ų2660.4 Ų60.411%0.11437%0.366CS..Hα-helixtrans-80.9-25.7-179.8-61.9-43.9000113.7Y211 E221 G222 L225 Q226Y211-F215 HydrophobicContact CD1-CE2 4.27Å; Y211-F215 HydrophobicContact CD1-CZ 4.34Å; Y211-F215 WeakPolarHBondContact O-CB 3.35Å; Y211-F215 WeakPolarHBondContact O-CD2 3.23Å; Y211-F215 VanDerWaalsContact O-CG 3.27Å; Y211-F215 WeakPolarHBondContact O-CG 3.4Å; Y211-F215 PolarHBondContact O-N 2.83Å; F215-E221 CarbonylContact O-C 2.93Å; F215-E221 WeakPolarHBondContact O-CB 3.42Å; F215-G222 PolarHBondContact O-N 2.93Å; F215-L225 HydrophobicContact CD1-CB 4.46Å; F215-L225 HydrophobicContact CD1-CD1 4.13Å; F215-L225 HydrophobicContact CE1-CB 4.06Å; F215-L225 HydrophobicContact CE1-CD1 4.48Å; F215-Q226 HydrophobicContact CE1-CB 4.16Å; F215-Q226 VanDerWaalsContact CE1-CD 3.49Å; F215-Q226 HydrophobicContact CE1-CG 3.69Å; F215-Q226 HydrophobicContact CZ-CB 3.95Å; F215-Q226 HydrophobicContact CZ-CG 3.64Å; F215-Q226 VanDerWaalsContact CZ-OE1 3.31Å
216G86.7Confident83.8Confident30 Ų3060.3 Ų60.331%0.30937%0.367SS..  trans83.2-178.1-172.900000113Q212 V213 E221Q212-G216 PolarHBondContact O-N 3.26Å; V213-G216 PolarHBondContact O-N 3.02Å; G216-E221 VanDerWaalsContact C-OE2 3.27Å; G216-E221 WeakPolarHBondContact CA-OE2 3.5Å
217S76.1Confident83.2Confident109 Ų10958.3 Ų58.376%0.76236%0.357SS*.SBendtrans-116.7-9.7-174.1-56.80000113.2E221S217-E221 PolarHBondContact N-OE2 2.99Å
218G71.6Confident82.9Confident36 Ų3658.6 Ų58.637%0.37136%0.359SS..SBendtrans-81.3157.1-179.100000113.4N220 E221G218-N220 PolarHBondContact O-N 2.93Å; G218-E221 VanDerWaalsContact N-CD 3.3Å; G218-E221 PolarHBondContact N-OE2 3.31Å; G218-E221 PolarHBondContact O-N 2.97Å; G218-E221 VanDerWaalsContact O-N 3.13Å
219A63.9Low82.7Confident93 Ų9358.3 Ų58.377%0.76936%0.357SS*.THydrogen-bonded Turntrans-61.4124.4172.900000110.1E221A219-E221 VanDerWaalsContact C-N 3.3Å; A219-E221 PolarHBondContact O-N 2.86Å
220N67.4Low82.6Confident143 Ų14356.6 Ų56.677%0.76535%0.352SS*.THydrogen-bonded Turntrans74.6-0.6-175.4-42-65.8000116.4G218 G222 S223G218-N220 PolarHBondContact O-N 2.93Å; N220-G222 PolarHBondContact O-N 3.16Å; N220-S223 VanDerWaalsContact O-CB 3.29Å; N220-S223 WeakPolarHBondContact O-CB 3.06Å; N220-S223 PolarHBondContact O-N 3.05Å
221E78.4Confident82.5Confident116 Ų11653.8 Ų53.854%0.54234%0.343SS..THydrogen-bonded Turntrans-63.9137.8170.5-61-175164.900109.4F215 G216 S217 G218 A219 S223F215-E221 CarbonylContact O-C 2.93Å; F215-E221 WeakPolarHBondContact O-CB 3.42Å; G216-E221 VanDerWaalsContact C-OE2 3.27Å; G216-E221 WeakPolarHBondContact CA-OE2 3.5Å; S217-E221 PolarHBondContact N-OE2 2.99Å; G218-E221 VanDerWaalsContact N-CD 3.3Å; G218-E221 PolarHBondContact N-OE2 3.31Å; G218-E221 PolarHBondContact O-N 2.97Å; G218-E221 VanDerWaalsContact O-N 3.13Å; A219-E221 VanDerWaalsContact C-N 3.3Å; A219-E221 PolarHBondContact O-N 2.86Å; E221-S223 PolarHBondContact O-N 3.45Å; E221-S223 VanDerWaalsContact O-N 3.14Å
222G74Confident82.6Confident23 Ų2355.6 Ų55.624%0.23736%0.359CS..THydrogen-bonded Turntrans70.33.1-177.500000115.9F215 N220 G224 L225F215-G222 PolarHBondContact O-N 2.93Å; N220-G222 PolarHBondContact O-N 3.16Å; G222-G224 PolarHBondContact O-N 2.91Å; G222-L225 WeakPolarHBondContact O-CB 3.18Å; G222-L225 PolarHBondContact O-N 3.38Å
223S69.6Low82.8Confident96 Ų9651.8 Ų51.867%0.67134%0.341SS*.THydrogen-bonded Turntrans-59.2136174-169.80000110.8N220 E221 L225N220-S223 VanDerWaalsContact O-CB 3.29Å; N220-S223 WeakPolarHBondContact O-CB 3.06Å; N220-S223 PolarHBondContact O-N 3.05Å; E221-S223 PolarHBondContact O-N 3.45Å; E221-S223 VanDerWaalsContact O-N 3.14Å; S223-L225 VanDerWaalsContact C-N 3.31Å; S223-L225 PolarHBondContact O-N 2.76Å
224G68.3Low83Confident27 Ų2747.2 Ų47.228%0.27831%0.313SS..THydrogen-bonded Turntrans80.10.5-178.100000115.7G222G222-G224 PolarHBondContact O-N 2.91Å
225L75.2Confident83.2Confident63 Ų6347 Ų4733%0.3331%0.311SS..SBendtrans-84.7-21.5177.6-67.3179.2000114.5M214 F215 G222 S223 P291M214-L225 HydrophobicContact CE-CD1 4.06Å; F215-L225 HydrophobicContact CD1-CB 4.46Å; F215-L225 HydrophobicContact CD1-CD1 4.13Å; F215-L225 HydrophobicContact CE1-CB 4.06Å; F215-L225 HydrophobicContact CE1-CD1 4.48Å; G222-L225 WeakPolarHBondContact O-CB 3.18Å; G222-L225 PolarHBondContact O-N 3.38Å; S223-L225 VanDerWaalsContact C-N 3.31Å; S223-L225 PolarHBondContact O-N 2.76Å; L225-P291 HydrophobicContact CD2-CB 4.07Å
226Q73.3Confident83.7Confident24 Ų2445.7 Ų45.711%0.11231%0.305CS..  trans-147.526-168.1-73-165.627.900115.5F215 A228 S250 N253 G357F215-Q226 HydrophobicContact CE1-CB 4.16Å; F215-Q226 VanDerWaalsContact CE1-CD 3.49Å; F215-Q226 HydrophobicContact CE1-CG 3.69Å; F215-Q226 HydrophobicContact CZ-CB 3.95Å; F215-Q226 HydrophobicContact CZ-CG 3.64Å; F215-Q226 VanDerWaalsContact CZ-OE1 3.31Å; Q226-A228 PolarHBondContact O-N 2.87Å; Q226-S250 PolarHBondContact OE1-OG 3.47Å; Q226-N253 PolarHBondContact O-ND2 2.64Å; Q226-G357 WeakPolarHBondContact O-CA 3.32Å
227G85.1Confident84.3Confident18 Ų1844.3 Ų44.319%0.18629%0.291CS..  trans-55.8134170.500000110.2N289G227-N289 PolarHBondContact O-ND2 3.08Å
228A92.5Very high85.4Confident6 Ų642.5 Ų42.55%0.0527%0.272CS..BIsolated β-bridgetrans-112.7152.217900000110.6Q226 N253 Y354 R355Q226-A228 PolarHBondContact O-N 2.87Å; A228-N253 HydrophobicContact CB-CB 4.45Å; A228-Y354 WeakPolarHBondContact O-CD1 2.86Å; A228-R355 HydrophobicContact CB-CB 4.26Å; A228-R355 PolarHBondContact N-O 3.48Å; A228-R355 PolarHBondContact O-N 2.89Å
229L95.3Very high86.6Confident3 Ų347.5 Ų47.52%0.01628%0.28CS..  trans-68.3154175.2-59.3177.4000110.9V233 F234 L237 E287 F320 Y354L229-V233 HydrophobicContact CB-CB 4.33Å; L229-V233 HydrophobicContact CB-CG1 4.22Å; L229-V233 HydrophobicContact CD1-CG1 3.99Å; L229-F234 HydrophobicContact CB-CD2 4.02Å; L229-F234 HydrophobicContact CB-CE2 3.66Å; L229-F234 HydrophobicContact CB-CZ 4.02Å; L229-F234 HydrophobicContact CD1-CE1 4.44Å; L229-F234 HydrophobicContact CD1-CZ 4.43Å; L229-F234 HydrophobicContact CG-CZ 4.39Å; L229-F234 WeakPolarHBondContact O-CE2 3.37Å; L229-L237 HydrophobicContact CD1-CD1 3.95Å; L229-E287 HydrophobicContact CD1-CG 3.89Å; L229-E287 WeakPolarHBondContact CD1-OE1 3.49Å; L229-F320 HydrophobicContact CD1-CD1 4.06Å; L229-F320 HydrophobicContact CD1-CD2 3.78Å; L229-F320 HydrophobicContact CD1-CE1 3.97Å; L229-F320 HydrophobicContact CD1-CE2 3.69Å; L229-F320 HydrophobicContact CD1-CG 3.98Å; L229-F320 HydrophobicContact CD1-CZ 3.79Å; L229-F320 HydrophobicContact CD2-CB 4.43Å; L229-F320 HydrophobicContact CD2-CD1 3.89Å; L229-F320 HydrophobicContact CD2-CE1 4.37Å; L229-F320 HydrophobicContact CD2-CG 4.07Å; L229-Y354 HydrophobicContact CD2-CD1 4.37Å; L229-Y354 HydrophobicContact CD2-CE1 3.75Å
230P95.5Very high88.3Confident16 Ų1644.8 Ų44.810%0.10425%0.251CS..  trans-57.3150.1171-24.334000112.4A232 V233 F234 E353 Y368P230-A232 VanDerWaalsContact C-N 3.3Å; P230-A232 PolarHBondContact O-N 3.18Å; P230-V233 HydrophobicContact CB-CB 4.5Å; P230-V233 HydrophobicContact CB-CG2 4.04Å; P230-V233 HydrophobicContact CG-CG2 4.06Å; P230-V233 WeakPolarHBondContact O-CB 3.33Å; P230-V233 PolarHBondContact O-N 3.29Å; P230-F234 PolarHBondContact O-N 3.16Å; P230-E353 WeakPolarHBondContact CD-O 3.47Å; P230-E353 WeakPolarHBondContact CG-O 3.39Å; P230-Y368 HydrophobicContact CB-CE1 4.39Å
231V95.7Very high89.8Confident20 Ų2038 Ų3812%0.12122%0.215CC..Hα-helixtrans-54.9-45.3179.8172.50000111.8V233 F234 E235 Y255 R355 P416V231-V233 PolarHBondContact O-N 3.48Å; V231-F234 PolarHBondContact O-N 3.06Å; V231-E235 HydrophobicContact CG1-CG 4.46Å; V231-E235 WeakPolarHBondContact O-CG 3.2Å; V231-E235 PolarHBondContact O-N 2.99Å; V231-Y255 HydrophobicContact CG1-CE2 4.16Å; V231-R355 VanDerWaalsContact CG2-NH1 3.25Å; V231-P416 HydrophobicContact CG2-CG 4.14Å
232A96.8Very high90.8Very high42 Ų4233.6 Ų33.635%0.34720%0.202SC..Hα-helixtrans-62.1-3217900000112.9P230 E235 A236 A402P230-A232 VanDerWaalsContact C-N 3.3Å; P230-A232 PolarHBondContact O-N 3.18Å; A232-E235 PolarHBondContact O-N 3.26Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 2.84Å; A232-A402 HydrophobicContact CB-CB 4.4Å
233V97.7Very high91.9Very high0 Ų032.5 Ų32.50%019%0.19CC..Hα-helixtrans-69.4-44.7176.5176.90000109.8L229 P230 V231 E235 A236 L237 L399 A402 Y403L229-V233 HydrophobicContact CB-CB 4.33Å; L229-V233 HydrophobicContact CB-CG1 4.22Å; L229-V233 HydrophobicContact CD1-CG1 3.99Å; P230-V233 HydrophobicContact CB-CB 4.5Å; P230-V233 HydrophobicContact CB-CG2 4.04Å; P230-V233 HydrophobicContact CG-CG2 4.06Å; P230-V233 WeakPolarHBondContact O-CB 3.33Å; P230-V233 PolarHBondContact O-N 3.29Å; V231-V233 PolarHBondContact O-N 3.48Å; V233-E235 VanDerWaalsContact C-N 3.34Å; V233-E235 PolarHBondContact O-N 3.14Å; V233-A236 PolarHBondContact O-N 2.71Å; V233-L237 HydrophobicContact CG1-CD1 4.16Å; V233-L237 HydrophobicContact CG1-CG 4.46Å; V233-L237 WeakPolarHBondContact O-CB 3.01Å; V233-L237 VanDerWaalsContact O-CG 3.28Å; V233-L237 WeakPolarHBondContact O-CG 3.36Å; V233-L237 PolarHBondContact O-N 3.46Å; V233-L399 HydrophobicContact CG1-CD1 4.02Å; V233-A402 HydrophobicContact CG2-CB 4.31Å; V233-Y403 HydrophobicContact CG1-CE2 4.27Å; V233-Y403 HydrophobicContact CG2-CD1 3.89Å; V233-Y403 HydrophobicContact CG2-CD2 4.26Å; V233-Y403 HydrophobicContact CG2-CE1 3.82Å; V233-Y403 HydrophobicContact CG2-CE2 4.17Å; V233-Y403 HydrophobicContact CG2-CG 4.14Å
234F98.2Very high93.3Very high6 Ų630.5 Ų30.53%0.02617%0.174CC..Hα-helixtrans-61.3-40.4173.2-80.2-65.3000113L229 P230 V231 A236 L237 N238 E246 Y255 F256 E287L229-F234 HydrophobicContact CB-CD2 4.02Å; L229-F234 HydrophobicContact CB-CE2 3.66Å; L229-F234 HydrophobicContact CB-CZ 4.02Å; L229-F234 HydrophobicContact CD1-CE1 4.44Å; L229-F234 HydrophobicContact CD1-CZ 4.43Å; L229-F234 HydrophobicContact CG-CZ 4.39Å; L229-F234 WeakPolarHBondContact O-CE2 3.37Å; P230-F234 PolarHBondContact O-N 3.16Å; V231-F234 PolarHBondContact O-N 3.06Å; F234-A236 VanDerWaalsContact C-N 3.35Å; F234-A236 PolarHBondContact O-N 2.85Å; F234-L237 HydrophobicContact CD1-CD1 4.43Å; F234-L237 PolarHBondContact O-N 2.73Å; F234-N238 WeakPolarHBondContact O-CB 3.23Å; F234-N238 PolarHBondContact O-N 3.26Å; F234-E246 HydrophobicContact CE1-CG 3.78Å; F234-E246 HydrophobicContact CZ-CG 4.14Å; F234-E246 WeakPolarHBondContact CZ-OE1 3.2Å; F234-Y255 HydrophobicContact CB-CD1 3.65Å; F234-Y255 HydrophobicContact CB-CD2 3.66Å; F234-Y255 HydrophobicContact CB-CE1 3.8Å; F234-Y255 HydrophobicContact CB-CE2 3.81Å; F234-Y255 HydrophobicContact CB-CG 3.58Å; F234-Y255 HydrophobicContact CD1-CD1 4.16Å; F234-Y255 HydrophobicContact CD1-CG 4.07Å; F234-Y255 AromaticContact CD2-CD2 3.92Å; F234-Y255 HydrophobicContact CD2-CD2 3.92Å; F234-Y255 AromaticContact CD2-CG 3.82Å; F234-Y255 HydrophobicContact CD2-CG 3.82Å; F234-Y255 HydrophobicContact CE2-CG 4.47Å; F234-Y255 AromaticContact CG-CD1 3.93Å; F234-Y255 HydrophobicContact CG-CD1 3.93Å; F234-Y255 AromaticContact CG-CD2 3.93Å; F234-Y255 HydrophobicContact CG-CD2 3.93Å; F234-Y255 AromaticContact CG-CG 3.57Å; F234-Y255 HydrophobicContact CG-CG 3.57Å; F234-F256 HydrophobicContact CD1-CE2 4.02Å; F234-F256 HydrophobicContact CE1-CE2 4.46Å; F234-E287 HydrophobicContact CE1-CG 4.06Å
235E98.3Very high94.8Very high89 Ų8929.4 Ų29.442%0.41616%0.162SC..Hα-helixtrans-61.3-42.7175.3-72.3171.5176.700111.8V231 A232 V233 R239 Y255V231-E235 HydrophobicContact CG1-CG 4.46Å; V231-E235 WeakPolarHBondContact O-CG 3.2Å; V231-E235 PolarHBondContact O-N 2.99Å; A232-E235 PolarHBondContact O-N 3.26Å; V233-E235 VanDerWaalsContact C-N 3.34Å; V233-E235 PolarHBondContact O-N 3.14Å; E235-R239 VanDerWaalsContact O-CB 3.26Å; E235-R239 WeakPolarHBondContact O-CB 3.48Å; E235-R239 PolarHBondContact O-N 3.49Å; E235-Y255 WeakPolarHBondContact CG-OH 3.43Å
236A98.4Very high95.9Very high0 Ų026.6 Ų26.60%015%0.147CC..Hα-helixtrans-65.8-42.7174.800000111.8A232 V233 F234 N238 R239 Q240 L399 A402A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 2.84Å; V233-A236 PolarHBondContact O-N 2.71Å; F234-A236 VanDerWaalsContact C-N 3.35Å; F234-A236 PolarHBondContact O-N 2.85Å; A236-N238 PolarHBondContact O-N 3.05Å; A236-R239 PolarHBondContact O-N 2.75Å; A236-Q240 VanDerWaalsContact O-CB 3.23Å; A236-Q240 WeakPolarHBondContact O-CB 3.36Å; A236-Q240 VanDerWaalsContact O-CG 3.28Å; A236-Q240 WeakPolarHBondContact O-CG 3.18Å; A236-Q240 PolarHBondContact O-N 3.05Å; A236-L399 HydrophobicContact CB-CD1 4.16Å; A236-A402 HydrophobicContact CB-CB 3.83Å
237L98.7Very high97.1Very high0 Ų025.5 Ų25.50%014%0.141CC..Hα-helixtrans-60-44.4176.4-73.5171.5000112.2L229 V233 F234 F241 G242 V243 E287 I318 F320 L399L229-L237 HydrophobicContact CD1-CD1 3.95Å; V233-L237 HydrophobicContact CG1-CD1 4.16Å; V233-L237 HydrophobicContact CG1-CG 4.46Å; V233-L237 WeakPolarHBondContact O-CB 3.01Å; V233-L237 VanDerWaalsContact O-CG 3.28Å; V233-L237 WeakPolarHBondContact O-CG 3.36Å; V233-L237 PolarHBondContact O-N 3.46Å; F234-L237 HydrophobicContact CD1-CD1 4.43Å; F234-L237 PolarHBondContact O-N 2.73Å; L237-F241 HydrophobicContact CD2-CD2 4.14Å; L237-F241 CarbonylContact O-C 3.41Å; L237-F241 WeakPolarHBondContact O-CA 3.43Å; L237-F241 WeakPolarHBondContact O-CB 3.2Å; L237-F241 PolarHBondContact O-N 3.47Å; L237-G242 PolarHBondContact O-N 2.96Å; L237-V243 HydrophobicContact CB-CB 3.95Å; L237-V243 HydrophobicContact CB-CG1 4.42Å; L237-V243 HydrophobicContact CB-CG2 3.96Å; L237-V243 HydrophobicContact CD2-CG2 4.39Å; L237-V243 PolarHBondContact O-N 2.93Å; L237-E287 HydrophobicContact CD1-CB 4.31Å; L237-E287 HydrophobicContact CD1-CG 3.88Å; L237-I318 HydrophobicContact CD2-CD1 3.75Å; L237-I318 HydrophobicContact CD2-CG2 4.1Å; L237-F320 HydrophobicContact CD1-CE2 3.96Å; L237-F320 HydrophobicContact CD1-CZ 3.85Å; L237-F320 HydrophobicContact CD2-CE2 4.44Å; L237-F320 HydrophobicContact CD2-CZ 4.05Å; L237-F320 HydrophobicContact CG-CZ 4.47Å; L237-L399 HydrophobicContact CD2-CD1 3.97Å; L237-L399 HydrophobicContact CD2-CD2 4.31Å; L237-L399 HydrophobicContact CG-CD1 4.05Å
238N98.8Very high97.7Very high71 Ų7126.2 Ų26.238%0.3814%0.14SC..Hα-helixtrans-64.3-49.7176.4-179.1-107.1000111.6F234 A236 G242 V243 F256F234-N238 WeakPolarHBondContact O-CB 3.23Å; F234-N238 PolarHBondContact O-N 3.26Å; A236-N238 PolarHBondContact O-N 3.05Å; N238-G242 VanDerWaalsContact O-CA 3.22Å; N238-G242 WeakPolarHBondContact O-CA 3.1Å; N238-G242 PolarHBondContact O-N 3.3Å; N238-V243 WeakPolarHBondContact CA-O 3.47Å; N238-V243 PolarHBondContact ND2-O 3.44Å; N238-F256 HydrophobicContact CB-CE1 4.31Å; N238-F256 HydrophobicContact CB-CZ 4.21Å
239R98.5Very high98Very high141 Ų14126.5 Ų26.553%0.53214%0.142SC..Hα-helixtrans-67.4-44-175.7-175.3172.867.7-113.77.6113.1E235 A236 E398E235-R239 VanDerWaalsContact O-CB 3.26Å; E235-R239 WeakPolarHBondContact O-CB 3.48Å; E235-R239 PolarHBondContact O-N 3.49Å; A236-R239 PolarHBondContact O-N 2.75Å; R239-E398 IonicContact NH2-OE2 2.7Å; R239-E398 PolarHBondContact NH2-OE2 3.22Å
240Q98.6Very high98.1Very high36 Ų3626.3 Ų26.317%0.16814%0.141CC..Hα-helixtrans-91.9-31.2-170.7-56-57.9-14.600113A236 R395 E398A236-Q240 VanDerWaalsContact O-CB 3.23Å; A236-Q240 WeakPolarHBondContact O-CB 3.36Å; A236-Q240 VanDerWaalsContact O-CG 3.28Å; A236-Q240 WeakPolarHBondContact O-CG 3.18Å; A236-Q240 PolarHBondContact O-N 3.05Å; Q240-R395 HydrophobicContact CB-CB 4.17Å; Q240-R395 HydrophobicContact CB-CG 4.18Å; Q240-R395 WeakPolarHBondContact O-CD 3.2Å; Q240-R395 PolarHBondContact O-NE 3.21Å; Q240-E398 HydrophobicContact CG-CB 3.89Å; Q240-E398 PolarHBondContact NE2-OE2 3.22Å
241F98.8Very high98.2Very high0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-124.16.3-172.4-57.6-72.6000113.6L237 V243 S285 I318 F379 W389 P391 R395 L396 L399L237-F241 HydrophobicContact CD2-CD2 4.14Å; L237-F241 CarbonylContact O-C 3.41Å; L237-F241 WeakPolarHBondContact O-CA 3.43Å; L237-F241 WeakPolarHBondContact O-CB 3.2Å; L237-F241 PolarHBondContact O-N 3.47Å; F241-V243 HydrophobicContact CB-CG2 4.17Å; F241-V243 PolarHBondContact O-N 2.95Å; F241-V243 VanDerWaalsContact O-N 3.13Å; F241-S285 VanDerWaalsContact O-CB 3.28Å; F241-S285 WeakPolarHBondContact O-CB 3.32Å; F241-S285 PolarHBondContact O-OG 3.46Å; F241-I318 HydrophobicContact CB-CD1 3.56Å; F241-I318 HydrophobicContact CD1-CD1 4.25Å; F241-I318 HydrophobicContact CD2-CD1 3.98Å; F241-I318 HydrophobicContact CG-CD1 3.66Å; F241-F379 AromaticContact CD1-CE1 3.92Å; F241-F379 HydrophobicContact CD1-CE1 3.92Å; F241-F379 HydrophobicContact CD2-CE1 4.32Å; F241-F379 HydrophobicContact CE1-CD1 4.39Å; F241-F379 AromaticContact CE1-CE1 3.62Å; F241-F379 HydrophobicContact CE1-CE1 3.62Å; F241-F379 HydrophobicContact CE1-CZ 4.37Å; F241-F379 HydrophobicContact CE2-CE1 4.04Å; F241-F379 HydrophobicContact CE2-CZ 4.26Å; F241-F379 HydrophobicContact CG-CE1 4.26Å; F241-F379 AromaticContact CZ-CE1 3.66Å; F241-F379 HydrophobicContact CZ-CE1 3.66Å; F241-F379 AromaticContact CZ-CZ 3.98Å; F241-F379 HydrophobicContact CZ-CZ 3.98Å; F241-W389 VanDerWaalsContact C-CD1 3.44Å; F241-W389 PolarHBondContact O-NE1 3.16Å; F241-P391 HydrophobicContact CE1-CB 4.35Å; F241-R395 HydrophobicContact CE1-CB 3.85Å; F241-R395 HydrophobicContact CE2-CB 4.41Å; F241-R395 HydrophobicContact CZ-CB 3.62Å; F241-L396 HydrophobicContact CZ-CD2 4.5Å; F241-L399 HydrophobicContact CE2-CB 4.2Å; F241-L399 HydrophobicContact CE2-CD2 4.04Å
242G98.7Very high98.3Very high25 Ų2524.6 Ų24.626%0.25813%0.13SC..  trans63.717.9178.100000114.1L237 N238 T244 S285L237-G242 PolarHBondContact O-N 2.96Å; N238-G242 VanDerWaalsContact O-CA 3.22Å; N238-G242 WeakPolarHBondContact O-CA 3.1Å; N238-G242 PolarHBondContact O-N 3.3Å; G242-T244 PolarHBondContact O-N 3.3Å; G242-S285 WeakPolarHBondContact O-CB 3.31Å
243V98.9Very high98.2Very high0 Ų023.1 Ų23.10%012%0.116CC..  trans-61128.8-179.7172.50000109.2L237 N238 F241 F256 S285 E287 I318L237-V243 HydrophobicContact CB-CB 3.95Å; L237-V243 HydrophobicContact CB-CG1 4.42Å; L237-V243 HydrophobicContact CB-CG2 3.96Å; L237-V243 HydrophobicContact CD2-CG2 4.39Å; L237-V243 PolarHBondContact O-N 2.93Å; N238-V243 WeakPolarHBondContact CA-O 3.47Å; N238-V243 PolarHBondContact ND2-O 3.44Å; F241-V243 HydrophobicContact CB-CG2 4.17Å; F241-V243 PolarHBondContact O-N 2.95Å; F241-V243 VanDerWaalsContact O-N 3.13Å; V243-F256 HydrophobicContact CG1-CE2 3.81Å; V243-F256 HydrophobicContact CG1-CZ 4.1Å; V243-F256 WeakPolarHBondContact O-CZ 3.46Å; V243-S285 WeakPolarHBondContact CA-O 3.45Å; V243-S285 WeakPolarHBondContact CG2-OG 3.28Å; V243-E287 HydrophobicContact CG1-CB 3.71Å; V243-I318 HydrophobicContact CG2-CD1 3.86Å
244T98.8Very high98.2Very high54 Ų5423.3 Ų23.333%0.33112%0.118SC..  trans-134.35.6179.252.80000113.2G242 F256 Q258 S285G242-T244 PolarHBondContact O-N 3.3Å; T244-F256 WeakPolarHBondContact O-CG 3.19Å; T244-Q258 WeakPolarHBondContact O-CG 3.41Å; T244-Q258 PolarHBondContact O-NE2 2.94Å; T244-S285 PolarHBondContact N-O 3.03Å; T244-S285 VanDerWaalsContact N-O 3.12Å
245F98.9Very high98.2Very high4 Ų424.7 Ų24.72%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-148.8136.6-171.4-168.4-73.1000110.8Q258 C260 R273 F279 F286 E287F245-Q258 WeakPolarHBondContact CA-O 3.3Å; F245-Q258 HydrophobicContact CB-CG 4.41Å; F245-Q258 HydrophobicContact CD2-CB 3.76Å; F245-Q258 HydrophobicContact CD2-CG 3.72Å; F245-Q258 HydrophobicContact CE2-CB 4.03Å; F245-Q258 HydrophobicContact CE2-CG 4.48Å; F245-Q258 HydrophobicContact CG-CG 4.44Å; F245-C260 HydrophobicContact CE1-CB 4.06Å; F245-C260 HydrophobicContact CZ-CB 4.33Å; F245-R273 HydrophobicContact CE2-CB 4.29Å; F245-R273 HydrophobicContact CE2-CG 3.85Å; F245-R273 HydrophobicContact CZ-CB 3.97Å; F245-R273 HydrophobicContact CZ-CG 4.06Å; F245-F279 HydrophobicContact CE1-CD1 4.41Å; F245-F279 HydrophobicContact CE1-CE1 4.21Å; F245-F279 HydrophobicContact CE2-CE1 4.19Å; F245-F279 HydrophobicContact CE2-CZ 4.17Å; F245-F279 HydrophobicContact CZ-CD1 4.17Å; F245-F279 AromaticContact CZ-CE1 3.85Å; F245-F279 HydrophobicContact CZ-CE1 3.85Å; F245-F279 HydrophobicContact CZ-CZ 4.18Å; F245-F286 HydrophobicContact CB-CD1 3.53Å; F245-F286 HydrophobicContact CB-CE1 3.71Å; F245-F286 AromaticContact CD1-CD1 3.48Å; F245-F286 HydrophobicContact CD1-CD1 3.48Å; F245-F286 VanDerWaalsContact CD1-CD1 3.48Å; F245-F286 AromaticContact CD1-CE1 3.75Å; F245-F286 HydrophobicContact CD1-CE1 3.75Å; F245-F286 HydrophobicContact CD2-CE1 4.14Å; F245-F286 HydrophobicContact CE1-CD1 4.32Å; F245-F286 HydrophobicContact CE1-CE1 4.38Å; F245-F286 AromaticContact CG-CD1 3.63Å; F245-F286 HydrophobicContact CG-CD1 3.63Å; F245-F286 AromaticContact CG-CE1 3.61Å; F245-F286 HydrophobicContact CG-CE1 3.61Å; F245-F286 WeakPolarHBondContact O-CA 3.42Å; F245-E287 PolarHBondContact O-N 2.98Å
246E98.8Very high98.3Very high4 Ų420.8 Ų20.82%0.01911%0.105CC..EExtended strand (participates in β ladder)trans-99.4120.3173.1-69.9152.597.100110.3F234 F248 A249 C254 Y255 F256 F259 C260 E287F234-E246 HydrophobicContact CE1-CG 3.78Å; F234-E246 HydrophobicContact CZ-CG 4.14Å; F234-E246 WeakPolarHBondContact CZ-OE1 3.2Å; E246-F248 VanDerWaalsContact C-N 3.28Å; E246-F248 PolarHBondContact O-N 3.08Å; E246-A249 HydrophobicContact CB-CB 3.93Å; E246-C254 WeakPolarHBondContact OE1-CA 3.42Å; E246-Y255 VanDerWaalsContact CD-N 3.27Å; E246-Y255 PolarHBondContact OE1-N 3.26Å; E246-Y255 PolarHBondContact OE2-N 2.84Å; E246-F256 HydrophobicContact CG-CD2 4.04Å; E246-F256 PolarHBondContact OE2-N 3.13Å; E246-F259 HydrophobicContact CB-CB 3.96Å; E246-F259 CarbonylContact O-C 3.59Å; E246-F259 WeakPolarHBondContact O-CA 3.22Å; E246-F259 WeakPolarHBondContact O-CB 3.23Å; E246-C260 PolarHBondContact O-N 3.38Å; E246-E287 CarbonylContact C-O 3.55Å
247C98.8Very high98.3Very high0 Ų023.7 Ų23.70%012%0.117CC..SBendtrans-67.6-27.9177.5-70.60000112.5C260 F276 E287 A288C247-C260 WeakPolarHBondContact O-CB 3.27Å; C247-F276 HydrophobicContact CB-CD2 3.71Å; C247-F276 HydrophobicContact CB-CE2 3.95Å; C247-F276 HydrophobicContact CB-CG 4.07Å; C247-F276 HydrophobicContact CB-CZ 4.46Å; C247-F276 WeakPolarHBondContact O-CB 3.23Å; C247-F276 WeakPolarHBondContact SG-CE2 3.39Å; C247-E287 WeakPolarHBondContact CB-O 3.43Å; C247-E287 PolarHBondContact N-O 3.43Å; C247-A288 HydrophobicContact CB-CB 3.76Å
248F97.9Very high98.3Very high34 Ų3425 Ų2515%0.14912%0.124CC..SBendtrans-136.9100.4-179.5-61.6-88.9000110.1E246 F276 A288 P290 L296 M300E246-F248 VanDerWaalsContact C-N 3.28Å; E246-F248 PolarHBondContact O-N 3.08Å; F248-F276 HydrophobicContact CE1-CB 4.07Å; F248-F276 HydrophobicContact CE1-CD1 4.47Å; F248-F276 AromaticContact CE2-CD1 3.9Å; F248-F276 HydrophobicContact CE2-CD1 3.9Å; F248-F276 HydrophobicContact CE2-CG 4.26Å; F248-F276 HydrophobicContact CZ-CB 4.01Å; F248-F276 AromaticContact CZ-CD1 3.62Å; F248-F276 HydrophobicContact CZ-CD1 3.62Å; F248-F276 HydrophobicContact CZ-CG 4.06Å; F248-A288 HydrophobicContact CD2-CB 4.25Å; F248-A288 HydrophobicContact CE2-CB 4.37Å; F248-P290 HydrophobicContact CD1-CB 4.4Å; F248-P290 HydrophobicContact CD2-CB 3.91Å; F248-P290 HydrophobicContact CE1-CB 4.38Å; F248-P290 HydrophobicContact CE2-CB 3.91Å; F248-P290 HydrophobicContact CG-CB 4.18Å; F248-P290 HydrophobicContact CZ-CB 4.13Å; F248-L296 HydrophobicContact CE1-CD1 4.37Å; F248-L296 HydrophobicContact CE1-CD2 4.05Å; F248-L296 HydrophobicContact CE1-CG 4.33Å; F248-M300 HydrophobicContact CD2-SD 4.41Å; F248-M300 HydrophobicContact CE2-CG 3.8Å; F248-M300 HydrophobicContact CE2-SD 3.4Å; F248-M300 WeakPolarHBondContact CE2-SD 3.45Å; F248-M300 HydrophobicContact CZ-CB 4.12Å; F248-M300 HydrophobicContact CZ-CG 3.77Å; F248-M300 HydrophobicContact CZ-SD 3.79Å
249A97.2Very high98.3Very high11 Ų1121.7 Ų21.79%0.09111%0.106CC..  trans-147.4-174.217700000111.8E246 N253 C254 F259 C260 S261E246-A249 HydrophobicContact CB-CB 3.93Å; A249-N253 WeakPolarHBondContact CA-OD1 3.44Å; A249-N253 WeakPolarHBondContact CB-OD1 3.33Å; A249-C254 HydrophobicContact CB-CB 3.99Å; A249-F259 HydrophobicContact CB-CB 3.88Å; A249-F259 HydrophobicContact CB-CD2 4.01Å; A249-F259 HydrophobicContact CB-CG 4.08Å; A249-C260 PolarHBondContact N-O 3.45Å; A249-S261 WeakPolarHBondContact O-CA 3.39Å; A249-S261 WeakPolarHBondContact O-CB 3.49Å
250S97.9Very high98.3Very high0 Ų015 Ų150%08%0.08CC..  trans-137161168.869.10000109.1Y211 Q226 L252 N253 C254Y211-S250 WeakPolarHBondContact OH-CB 3.4Å; Q226-S250 PolarHBondContact OE1-OG 3.47Å; S250-L252 PolarHBondContact O-N 3.36Å; S250-L252 PolarHBondContact OG-N 3.12Å; S250-N253 PolarHBondContact N-OD1 3.45Å; S250-N253 PolarHBondContact O-N 3.34Å; S250-N253 VanDerWaalsContact O-N 3.09Å; S250-N253 PolarHBondContact O-OD1 2.94Å; S250-N253 PolarHBondContact OG-N 3.14Å; S250-N253 VanDerWaalsContact OG-N 3.09Å; S250-N253 PolarHBondContact OG-OD1 3.18Å; S250-C254 VanDerWaalsContact O-CB 3.29Å; S250-C254 WeakPolarHBondContact O-CB 3.44Å; S250-C254 PolarHBondContact O-N 3.14Å
251P98.4Very high98.3Very high0 Ų013.5 Ų13.50%07%0.074CC..THydrogen-bonded Turntrans-54.8-24.1170.7-26.135.9000113.2K182 L183 L186 L207 F259 D267 F270K182-P251 WeakPolarHBondContact CE-O 3.45Å; K182-P251 PolarHBondContact NZ-O 3.44Å; L183-P251 HydrophobicContact CD2-CB 3.74Å; L186-P251 HydrophobicContact CD1-CB 4.29Å; L207-P251 HydrophobicContact CD1-CB 4.23Å; L207-P251 HydrophobicContact CD1-CG 3.76Å; L207-P251 HydrophobicContact CD2-CB 4.05Å; L207-P251 HydrophobicContact CD2-CG 4.44Å; P251-F259 HydrophobicContact CB-CZ 4.25Å; P251-F259 HydrophobicContact CG-CE2 4.14Å; P251-F259 HydrophobicContact CG-CZ 3.9Å; P251-D267 HydrophobicContact CG-CB 3.8Å; P251-F270 HydrophobicContact CB-CB 3.71Å; P251-F270 HydrophobicContact CB-CG 4.32Å; P251-F270 HydrophobicContact CG-CB 3.76Å; P251-F270 HydrophobicContact CG-CG 4.44Å
252L97Very high98.2Very high0 Ų016.3 Ų16.30%010%0.097CC..THydrogen-bonded Turntrans-79-39.3-180-55.2175.9000111.8H179 K182 L183 L207 L208 Y211 S250 Q359 H360H179-L252 PolarHBondContact CD2-O 3.12Å; H179-L252 VanDerWaalsContact CD2-O 3.24Å; H179-L252 PolarHBondContact NE2-O 3Å; K182-L252 PolarHBondContact NZ-O 3.04Å; L183-L252 HydrophobicContact CD1-CD2 4.15Å; L183-L252 HydrophobicContact CD2-CD2 4.33Å; L207-L252 HydrophobicContact CD2-CD2 4.27Å; L208-L252 HydrophobicContact CD2-CD1 4.42Å; L208-L252 HydrophobicContact CD2-CD2 3.83Å; Y211-L252 HydrophobicContact CD2-CD1 3.98Å; Y211-L252 HydrophobicContact CG-CD1 3.9Å; S250-L252 PolarHBondContact O-N 3.36Å; S250-L252 PolarHBondContact OG-N 3.12Å; L252-Q359 PolarHBondContact O-NE2 3Å; L252-H360 HydrophobicContact CB-CB 4.27Å; L252-H360 HydrophobicContact CD2-CB 4.19Å
253N96.1Very high98.2Very high10 Ų1017 Ų175%0.0539%0.093CC..THydrogen-bonded Turntrans-104-15.1-174.779.1-2.6000115.8Q226 A228 A249 S250Q226-N253 PolarHBondContact O-ND2 2.64Å; A228-N253 HydrophobicContact CB-CB 4.45Å; A249-N253 WeakPolarHBondContact CA-OD1 3.44Å; A249-N253 WeakPolarHBondContact CB-OD1 3.33Å; S250-N253 PolarHBondContact N-OD1 3.45Å; S250-N253 PolarHBondContact O-N 3.34Å; S250-N253 VanDerWaalsContact O-N 3.09Å; S250-N253 PolarHBondContact O-OD1 2.94Å; S250-N253 PolarHBondContact OG-N 3.14Å; S250-N253 VanDerWaalsContact OG-N 3.09Å; S250-N253 PolarHBondContact OG-OD1 3.18Å
254C97.7Very high98.2Very high5 Ų519 Ų193%0.03411%0.106CC..  trans-59.5144.3-172.2710000113.7K182 E246 A249 S250 F256 F259K182-C254 WeakPolarHBondContact CE-O 3.33Å; K182-C254 PolarHBondContact NZ-O 3.25Å; K182-C254 PolarHBondContact NZ-SG 3.48Å; E246-C254 WeakPolarHBondContact OE1-CA 3.42Å; A249-C254 HydrophobicContact CB-CB 3.99Å; S250-C254 VanDerWaalsContact O-CB 3.29Å; S250-C254 WeakPolarHBondContact O-CB 3.44Å; S250-C254 PolarHBondContact O-N 3.14Å; C254-F256 PolarHBondContact SG-O 3.41Å; C254-F259 HydrophobicContact CB-CB 4.49Å; C254-F259 HydrophobicContact CB-CD1 3.54Å; C254-F259 HydrophobicContact CB-CD2 4.49Å; C254-F259 HydrophobicContact CB-CE1 3.82Å; C254-F259 HydrophobicContact CB-CG 3.93Å; C254-F259 HydrophobicContact CB-CZ 4.41Å; C254-F259 WeakPolarHBondContact SG-CE1 3.45Å
255Y98.3Very high98.2Very high35 Ų3519.6 Ų19.614%0.13711%0.107CC..SBendtrans-87.5-46.2168.7179.4-94.3000111.4V231 F234 E235 E246 A419V231-Y255 HydrophobicContact CG1-CE2 4.16Å; F234-Y255 HydrophobicContact CB-CD1 3.65Å; F234-Y255 HydrophobicContact CB-CD2 3.66Å; F234-Y255 HydrophobicContact CB-CE1 3.8Å; F234-Y255 HydrophobicContact CB-CE2 3.81Å; F234-Y255 HydrophobicContact CB-CG 3.58Å; F234-Y255 HydrophobicContact CD1-CD1 4.16Å; F234-Y255 HydrophobicContact CD1-CG 4.07Å; F234-Y255 AromaticContact CD2-CD2 3.92Å; F234-Y255 HydrophobicContact CD2-CD2 3.92Å; F234-Y255 AromaticContact CD2-CG 3.82Å; F234-Y255 HydrophobicContact CD2-CG 3.82Å; F234-Y255 HydrophobicContact CE2-CG 4.47Å; F234-Y255 AromaticContact CG-CD1 3.93Å; F234-Y255 HydrophobicContact CG-CD1 3.93Å; F234-Y255 AromaticContact CG-CD2 3.93Å; F234-Y255 HydrophobicContact CG-CD2 3.93Å; F234-Y255 AromaticContact CG-CG 3.57Å; F234-Y255 HydrophobicContact CG-CG 3.57Å; E235-Y255 WeakPolarHBondContact CG-OH 3.43Å; E246-Y255 VanDerWaalsContact CD-N 3.27Å; E246-Y255 PolarHBondContact OE1-N 3.26Å; E246-Y255 PolarHBondContact OE2-N 2.84Å; Y255-A419 HydrophobicContact CE1-CB 4.12Å
256F98.4Very high98.1Very high7 Ų719.9 Ų19.93%0.03111%0.109CC..SBendtrans-88.7160.5178.1-57.5-74.3000111.5F234 N238 V243 T244 E246 C254 Q258 F259F234-F256 HydrophobicContact CD1-CE2 4.02Å; F234-F256 HydrophobicContact CE1-CE2 4.46Å; N238-F256 HydrophobicContact CB-CE1 4.31Å; N238-F256 HydrophobicContact CB-CZ 4.21Å; V243-F256 HydrophobicContact CG1-CE2 3.81Å; V243-F256 HydrophobicContact CG1-CZ 4.1Å; V243-F256 WeakPolarHBondContact O-CZ 3.46Å; T244-F256 WeakPolarHBondContact O-CG 3.19Å; E246-F256 HydrophobicContact CG-CD2 4.04Å; E246-F256 PolarHBondContact OE2-N 3.13Å; C254-F256 PolarHBondContact SG-O 3.41Å; F256-Q258 PolarHBondContact O-N 2.88Å; F256-F259 WeakPolarHBondContact O-CD1 3.23Å
257K98.4Very high98.1Very high61 Ų6119.7 Ų19.727%0.26511%0.108SC..SBendtrans-78.2-3.6170.869.7-179.1179.41620113.4L186 Y189 R273 P418L186-K257 HydrophobicContact CD2-CB 3.91Å; Y189-K257 HydrophobicContact CD2-CB 4.49Å; Y189-K257 HydrophobicContact CD2-CD 4.08Å; Y189-K257 HydrophobicContact CE2-CD 4.5Å; Y189-K257 HydrophobicContact CG-CD 4.44Å; K257-R273 PolarHBondContact O-NH1 2.89Å; K257-P418 HydrophobicContact CB-CB 3.93Å
258Q98.6Very high98.1Very high28 Ų2819.8 Ų19.813%0.13111%0.109CC..  trans-125.6123175.656.5-91.4-6.600110.4T244 F245 F256 R273T244-Q258 WeakPolarHBondContact O-CG 3.41Å; T244-Q258 PolarHBondContact O-NE2 2.94Å; F245-Q258 WeakPolarHBondContact CA-O 3.3Å; F245-Q258 HydrophobicContact CB-CG 4.41Å; F245-Q258 HydrophobicContact CD2-CB 3.76Å; F245-Q258 HydrophobicContact CD2-CG 3.72Å; F245-Q258 HydrophobicContact CE2-CB 4.03Å; F245-Q258 HydrophobicContact CE2-CG 4.48Å; F245-Q258 HydrophobicContact CG-CG 4.44Å; F256-Q258 PolarHBondContact O-N 2.88Å; Q258-R273 VanDerWaalsContact CA-NH1 3.28Å
259F98.9Very high98.2Very high0 Ų019.3 Ų19.30%011%0.107CC..BIsolated β-bridgetrans-160.2162.8-175.254.7-88.7000109.8E246 A249 P251 C254 F256 F270 S272 R273E246-F259 HydrophobicContact CB-CB 3.96Å; E246-F259 CarbonylContact O-C 3.59Å; E246-F259 WeakPolarHBondContact O-CA 3.22Å; E246-F259 WeakPolarHBondContact O-CB 3.23Å; A249-F259 HydrophobicContact CB-CB 3.88Å; A249-F259 HydrophobicContact CB-CD2 4.01Å; A249-F259 HydrophobicContact CB-CG 4.08Å; P251-F259 HydrophobicContact CB-CZ 4.25Å; P251-F259 HydrophobicContact CG-CE2 4.14Å; P251-F259 HydrophobicContact CG-CZ 3.9Å; C254-F259 HydrophobicContact CB-CB 4.49Å; C254-F259 HydrophobicContact CB-CD1 3.54Å; C254-F259 HydrophobicContact CB-CD2 4.49Å; C254-F259 HydrophobicContact CB-CE1 3.82Å; C254-F259 HydrophobicContact CB-CG 3.93Å; C254-F259 HydrophobicContact CB-CZ 4.41Å; C254-F259 WeakPolarHBondContact SG-CE1 3.45Å; F256-F259 WeakPolarHBondContact O-CD1 3.23Å; F259-F270 WeakPolarHBondContact CZ-O 3.39Å; F259-S272 CarbonylContact O-C 3.58Å; F259-S272 WeakPolarHBondContact O-CA 3.31Å; F259-R273 PolarHBondContact O-N 2.88Å
260C98.9Very high98.3Very high0 Ų018.8 Ų18.80%010%0.103CC..  trans-95.7146.1166-86.10000109.8F245 E246 C247 A249 G274 F276 F279F245-C260 HydrophobicContact CE1-CB 4.06Å; F245-C260 HydrophobicContact CZ-CB 4.33Å; E246-C260 PolarHBondContact O-N 3.38Å; C247-C260 WeakPolarHBondContact O-CB 3.27Å; A249-C260 PolarHBondContact N-O 3.45Å; C260-G274 CarbonylContact C-O 3.58Å; C260-G274 WeakPolarHBondContact CA-O 3.41Å; C260-G274 WeakPolarHBondContact CB-O 3.32Å; C260-G274 PolarHBondContact SG-O 3.44Å; C260-F276 HydrophobicContact CB-CB 4.05Å; C260-F276 HydrophobicContact CB-CD2 4.45Å; C260-F279 VanDerWaalsContact SG-CB 3.56Å
261S98.6Very high98.3Very high6 Ų618.8 Ų18.84%0.04210%0.103CC..  trans-149.6166.1179.276.70000112A249 F263 D267 S272 G274 P275A249-S261 WeakPolarHBondContact O-CA 3.39Å; A249-S261 WeakPolarHBondContact O-CB 3.49Å; S261-F263 PolarHBondContact O-N 3.38Å; S261-D267 VanDerWaalsContact CB-OD2 3.23Å; S261-D267 WeakPolarHBondContact CB-OD2 3.01Å; S261-D267 WeakPolarHBondContact OG-CB 3.12Å; S261-D267 VanDerWaalsContact OG-CG 3.27Å; S261-D267 PolarHBondContact OG-OD2 3.09Å; S261-S272 PolarHBondContact N-OG 3.29Å; S261-S272 WeakPolarHBondContact OG-CB 3.27Å; S261-S272 PolarHBondContact OG-OG 2.88Å; S261-G274 PolarHBondContact N-O 3.36Å; S261-G274 CarbonylContact O-C 3.08Å; S261-P275 VanDerWaalsContact O-CA 3.31Å; S261-P275 WeakPolarHBondContact O-CA 3.38Å; S261-P275 VanDerWaalsContact O-N 3.1Å
262A97.6Very high98.3Very high58 Ų5818.8 Ų18.848%0.47910%0.103SC..SBendtrans-70-27.7-172.900000114.5P264A262-P264 VanDerWaalsContact O-CD 3.23Å; A262-P264 WeakPolarHBondContact O-CD 3.18Å
263F98.4Very high98.4Very high39 Ų3920.4 Ų20.417%0.17111%0.109CC..  trans-119.978.7-165.7-54.7-56.9000112.5R210 Y211 M214 S261 D265 I266 D267R210-F263 HydrophobicContact CG-CB 4.39Å; R210-F263 HydrophobicContact CG-CD1 4.18Å; R210-F263 HydrophobicContact CG-CD2 3.47Å; R210-F263 VanDerWaalsContact CG-CD2 3.47Å; R210-F263 HydrophobicContact CG-CE1 4.35Å; R210-F263 HydrophobicContact CG-CE2 3.67Å; R210-F263 HydrophobicContact CG-CG 3.75Å; R210-F263 HydrophobicContact CG-CZ 4.12Å; Y211-F263 HydrophobicContact CD1-CE2 4.26Å; Y211-F263 HydrophobicContact CE1-CD2 4.07Å; Y211-F263 AromaticContact CE1-CE2 3.89Å; Y211-F263 HydrophobicContact CE1-CE2 3.89Å; Y211-F263 HydrophobicContact CE2-CD2 4.01Å; Y211-F263 HydrophobicContact CE2-CE2 4.5Å; Y211-F263 AromaticContact CZ-CD2 3.7Å; M214-F263 HydrophobicContact CB-CE2 4.23Å; M214-F263 HydrophobicContact CB-CZ 4.03Å; M214-F263 HydrophobicContact CG-CE2 4.27Å; M214-F263 HydrophobicContact CG-CZ 3.98Å; M214-F263 HydrophobicContact SD-CZ 4.1Å; S261-F263 PolarHBondContact O-N 3.38Å; F263-D265 PolarHBondContact O-N 2.97Å; F263-I266 HydrophobicContact CB-CG2 3.77Å; F263-I266 PolarHBondContact O-N 2.91Å; F263-D267 VanDerWaalsContact O-CB 3.25Å; F263-D267 WeakPolarHBondContact O-CB 3.29Å; F263-D267 PolarHBondContact O-N 2.93Å
264P98.4Very high98.5Very high42 Ų4220.1 Ų20.127%0.27311%0.108SC..Hα-helixtrans-61.9-27-175.925-34.4000113.4V143 A262 I266 G268 P275V143-P264 HydrophobicContact CG1-CB 3.68Å; V143-P264 WeakPolarHBondContact CG1-O 3.38Å; V143-P264 HydrophobicContact CG2-CB 4.33Å; A262-P264 VanDerWaalsContact O-CD 3.23Å; A262-P264 WeakPolarHBondContact O-CD 3.18Å; P264-I266 PolarHBondContact O-N 3.38Å; P264-G268 PolarHBondContact O-N 2.99Å; P264-P275 HydrophobicContact CG-CG 4.47Å
265D98.1Very high98.6Very high68 Ų6822.1 Ų22.136%0.36412%0.121SC..Hα-helixtrans-64.2-26.7-179.865.5-56.9000113.5R210 F263 F269R210-D265 IonicContact CZ-OD1 3.78Å; R210-D265 IonicContact CZ-OD2 2.86Å; R210-D265 IonicContact NH1-OD1 3.55Å; R210-D265 PolarHBondContact NH1-OD1 3.18Å; R210-D265 IonicContact NH1-OD2 3.6Å; R210-D265 PolarHBondContact NH1-OD2 3.37Å; R210-D265 IonicContact NH2-OD1 3.88Å; R210-D265 IonicContact NH2-OD2 2.67Å; R210-D265 PolarHBondContact NH2-OD2 2.92Å; F263-D265 PolarHBondContact O-N 2.97Å; D265-F269 VanDerWaalsContact O-CE2 3.31Å; D265-F269 WeakPolarHBondContact O-CE2 3.39Å
266I98.7Very high98.6Very high9 Ų920.8 Ų20.85%0.04612%0.116CC..Hα-helixtrans-122.2-39-177.7-168.658.2000112.7R203 C206 L207 R210 F263 P264 G268 F269 F270R203-I266 HydrophobicContact CB-CD1 4.1Å; R203-I266 HydrophobicContact CG-CD1 4.32Å; R203-I266 WeakPolarHBondContact O-CD1 3.31Å; C206-I266 HydrophobicContact CB-CD1 3.77Å; C206-I266 HydrophobicContact CB-CG1 4.17Å; L207-I266 HydrophobicContact CB-CG1 3.95Å; L207-I266 HydrophobicContact CD1-CG1 4.47Å; L207-I266 HydrophobicContact CD1-CG2 4.48Å; R210-I266 HydrophobicContact CG-CG2 4.42Å; F263-I266 HydrophobicContact CB-CG2 3.77Å; F263-I266 PolarHBondContact O-N 2.91Å; P264-I266 PolarHBondContact O-N 3.38Å; I266-G268 VanDerWaalsContact C-N 3.29Å; I266-G268 PolarHBondContact O-N 2.76Å; I266-F269 HydrophobicContact CD1-CD2 4.31Å; I266-F269 WeakPolarHBondContact O-CD2 3.25Å; I266-F269 PolarHBondContact O-N 3.49Å; I266-F270 WeakPolarHBondContact O-CD2 3.48Å
267D98.8Very high98.6Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-75.1-21.2-176.4-60.6-15.8000112.4L207 Y211 P251 S261 F263 F269 F270 G271 S272L207-D267 WeakPolarHBondContact CD1-OD1 3.37Å; Y211-D267 WeakPolarHBondContact CE2-OD1 3.34Å; Y211-D267 PolarHBondContact OH-OD2 2.85Å; P251-D267 HydrophobicContact CG-CB 3.8Å; S261-D267 VanDerWaalsContact CB-OD2 3.23Å; S261-D267 WeakPolarHBondContact CB-OD2 3.01Å; S261-D267 WeakPolarHBondContact OG-CB 3.12Å; S261-D267 VanDerWaalsContact OG-CG 3.27Å; S261-D267 PolarHBondContact OG-OD2 3.09Å; F263-D267 VanDerWaalsContact O-CB 3.25Å; F263-D267 WeakPolarHBondContact O-CB 3.29Å; F263-D267 PolarHBondContact O-N 2.93Å; D267-F269 PolarHBondContact O-N 3.34Å; D267-F270 CarbonylContact O-C 3.5Å; D267-F270 WeakPolarHBondContact O-CA 3.03Å; D267-F270 PolarHBondContact O-N 3.47Å; D267-G271 PolarHBondContact O-N 3.2Å; D267-S272 VanDerWaalsContact C-CB 3.47Å; D267-S272 VanDerWaalsContact CB-CB 3.4Å; D267-S272 WeakPolarHBondContact O-CB 3.32Å; D267-S272 PolarHBondContact O-N 3.34Å
268G98.8Very high98.6Very high3 Ų325.9 Ų25.93%0.03115%0.154CC..G310 helixtrans-58.6-33.3176.600000112.6P142 P264 I266 F270 G271P142-G268 WeakPolarHBondContact CB-O 3.43Å; P264-G268 PolarHBondContact O-N 2.99Å; I266-G268 VanDerWaalsContact C-N 3.29Å; I266-G268 PolarHBondContact O-N 2.76Å; G268-F270 PolarHBondContact O-N 3Å; G268-G271 PolarHBondContact O-N 2.89Å
269F98.8Very high98.6Very high23 Ų2326 Ų2610%0.10115%0.154CC..G310 helixtrans-67.9-15.7174.2-58.1-64.6000113.4L145 Y187 S190 R203 D265 I266 D267L145-F269 HydrophobicContact CD1-CE2 4.28Å; L145-F269 HydrophobicContact CD1-CZ 3.92Å; Y187-F269 WeakPolarHBondContact CA-O 3.48Å; Y187-F269 HydrophobicContact CD2-CB 4.07Å; Y187-F269 WeakPolarHBondContact CD2-O 3.3Å; Y187-F269 HydrophobicContact CE2-CB 3.87Å; S190-F269 WeakPolarHBondContact CB-O 3.29Å; R203-F269 HydrophobicContact CG-CD2 4.32Å; R203-F269 VanDerWaalsContact CZ-CD1 3.46Å; R203-F269 VanDerWaalsContact NH2-CZ 3.34Å; D265-F269 VanDerWaalsContact O-CE2 3.31Å; D265-F269 WeakPolarHBondContact O-CE2 3.39Å; I266-F269 HydrophobicContact CD1-CD2 4.31Å; I266-F269 WeakPolarHBondContact O-CD2 3.25Å; I266-F269 PolarHBondContact O-N 3.49Å; D267-F269 PolarHBondContact O-N 3.34Å
270F98.9Very high98.5Very high0 Ų029 Ų290%018%0.175CC..G310 helixtrans-119.818.3-177.2-55.7-85.7000112.8L183 L186 Y187 F200 R203 V204 L207 P251 F259 I266 D267 G268L183-F270 HydrophobicContact CB-CD1 4.29Å; L183-F270 HydrophobicContact CB-CE1 4.19Å; L183-F270 HydrophobicContact CD2-CD1 4.03Å; L183-F270 HydrophobicContact CD2-CE1 4.41Å; L183-F270 HydrophobicContact CD2-CG 4.48Å; L186-F270 HydrophobicContact CB-CB 4.18Å; Y187-F270 HydrophobicContact CD2-CD1 4.04Å; Y187-F270 AromaticContact CD2-CE1 3.63Å; Y187-F270 HydrophobicContact CD2-CE1 3.63Å; Y187-F270 AromaticContact CD2-CZ 3.91Å; Y187-F270 HydrophobicContact CD2-CZ 3.91Å; Y187-F270 HydrophobicContact CE2-CZ 4.39Å; Y187-F270 HydrophobicContact CG-CE1 4.26Å; F200-F270 HydrophobicContact CD2-CE1 4.44Å; F200-F270 HydrophobicContact CE2-CE1 4.06Å; R203-F270 HydrophobicContact CB-CE2 4.23Å; R203-F270 HydrophobicContact CB-CZ 4.09Å; V204-F270 HydrophobicContact CG2-CE1 3.93Å; V204-F270 HydrophobicContact CG2-CZ 3.85Å; L207-F270 HydrophobicContact CB-CE2 4.23Å; L207-F270 HydrophobicContact CD1-CD2 4.46Å; L207-F270 HydrophobicContact CD2-CD2 4.11Å; L207-F270 HydrophobicContact CD2-CE2 4.03Å; L207-F270 HydrophobicContact CD2-CG 4.43Å; L207-F270 HydrophobicContact CD2-CZ 4.27Å; P251-F270 HydrophobicContact CB-CB 3.71Å; P251-F270 HydrophobicContact CB-CG 4.32Å; P251-F270 HydrophobicContact CG-CB 3.76Å; P251-F270 HydrophobicContact CG-CG 4.44Å; F259-F270 WeakPolarHBondContact CZ-O 3.39Å; I266-F270 WeakPolarHBondContact O-CD2 3.48Å; D267-F270 CarbonylContact O-C 3.5Å; D267-F270 WeakPolarHBondContact O-CA 3.03Å; D267-F270 PolarHBondContact O-N 3.47Å; G268-F270 PolarHBondContact O-N 3Å
271G98.7Very high98.5Very high0 Ų029.5 Ų29.50%018%0.178CC..THydrogen-bonded Turntrans109.1-1.4169.300000115.5S190 D267 G268 R273S190-G271 VanDerWaalsContact CB-N 3.34Å; S190-G271 WeakPolarHBondContact OG-CA 3.35Å; S190-G271 PolarHBondContact OG-N 3.08Å; S190-G271 VanDerWaalsContact OG-N 3.16Å; D267-G271 PolarHBondContact O-N 3.2Å; G268-G271 PolarHBondContact O-N 2.89Å; G271-R273 WeakPolarHBondContact O-CD 3.33Å; G271-R273 PolarHBondContact O-NH1 3.18Å
272S98.8Very high98.5Very high0 Ų031.9 Ų31.90%019%0.193CC..BIsolated β-bridgetrans-68.3139.9178.5-179.10000112.8P142 V143 F259 S261 D267 G274P142-S272 CarbonylContact C-O 3.6Å; P142-S272 WeakPolarHBondContact CA-O 3.39Å; V143-S272 PolarHBondContact N-O 2.76Å; F259-S272 CarbonylContact O-C 3.58Å; F259-S272 WeakPolarHBondContact O-CA 3.31Å; S261-S272 PolarHBondContact N-OG 3.29Å; S261-S272 WeakPolarHBondContact OG-CB 3.27Å; S261-S272 PolarHBondContact OG-OG 2.88Å; D267-S272 VanDerWaalsContact C-CB 3.47Å; D267-S272 VanDerWaalsContact CB-CB 3.4Å; D267-S272 WeakPolarHBondContact O-CB 3.32Å; D267-S272 PolarHBondContact O-N 3.34Å; S272-G274 VanDerWaalsContact C-N 3.28Å; S272-G274 PolarHBondContact OG-N 3.09Å
273R98.8Very high98.5Very high35 Ų3532.1 Ų32.113%0.13219%0.191CC..  trans-90.27168.8-82.459.9177.5174.50.1112.2C140 Y141 F245 K257 Q258 F259 G271 F279C140-R273 HydrophobicContact CB-CG 4.14Å; C140-R273 PolarHBondContact O-NH2 2.88Å; C140-R273 PolarHBondContact SG-NE 2.7Å; Y141-R273 WeakPolarHBondContact O-CG 3.42Å; F245-R273 HydrophobicContact CE2-CB 4.29Å; F245-R273 HydrophobicContact CE2-CG 3.85Å; F245-R273 HydrophobicContact CZ-CB 3.97Å; F245-R273 HydrophobicContact CZ-CG 4.06Å; K257-R273 PolarHBondContact O-NH1 2.89Å; Q258-R273 VanDerWaalsContact CA-NH1 3.28Å; F259-R273 PolarHBondContact O-N 2.88Å; G271-R273 WeakPolarHBondContact O-CD 3.33Å; G271-R273 PolarHBondContact O-NH1 3.18Å; R273-F279 HydrophobicContact CB-CD2 4.06Å; R273-F279 HydrophobicContact CB-CE2 4.24Å; R273-F279 HydrophobicContact CG-CD2 4.43Å; R273-F279 HydrophobicContact CG-CE2 4.11Å
274G98.6Very high98.6Very high3 Ų331.1 Ų31.13%0.03119%0.192CC..  trans85.7-169.8-175.400000113.1C260 S261 S272C260-G274 CarbonylContact C-O 3.58Å; C260-G274 WeakPolarHBondContact CA-O 3.41Å; C260-G274 WeakPolarHBondContact CB-O 3.32Å; C260-G274 PolarHBondContact SG-O 3.44Å; S261-G274 PolarHBondContact N-O 3.36Å; S261-G274 CarbonylContact O-C 3.08Å; S272-G274 VanDerWaalsContact C-N 3.28Å; S272-G274 PolarHBondContact OG-N 3.09Å
275P98.5Very high98.6Very high48 Ų4829.2 Ų29.231%0.31218%0.179SC..  trans-63.7138.9-177.4-23.235.1000111.8S261 P264 L277 S278 F279S261-P275 VanDerWaalsContact O-CA 3.31Å; S261-P275 WeakPolarHBondContact O-CA 3.38Å; S261-P275 VanDerWaalsContact O-N 3.1Å; P264-P275 HydrophobicContact CG-CG 4.47Å; P275-L277 VanDerWaalsContact C-N 3.33Å; P275-L277 PolarHBondContact O-N 3.34Å; P275-S278 PolarHBondContact O-N 3.26Å; P275-F279 PolarHBondContact O-N 3.37Å
276F98.4Very high98.6Very high6 Ų626.4 Ų26.43%0.02616%0.164CC..G310 helixtrans-57.7-41.8-174.2-179.2-114.5000113.7C247 F248 C260 S278 F279 M300 H303 F304 L307 F317C247-F276 HydrophobicContact CB-CD2 3.71Å; C247-F276 HydrophobicContact CB-CE2 3.95Å; C247-F276 HydrophobicContact CB-CG 4.07Å; C247-F276 HydrophobicContact CB-CZ 4.46Å; C247-F276 WeakPolarHBondContact O-CB 3.23Å; C247-F276 WeakPolarHBondContact SG-CE2 3.39Å; F248-F276 HydrophobicContact CE1-CB 4.07Å; F248-F276 HydrophobicContact CE1-CD1 4.47Å; F248-F276 AromaticContact CE2-CD1 3.9Å; F248-F276 HydrophobicContact CE2-CD1 3.9Å; F248-F276 HydrophobicContact CE2-CG 4.26Å; F248-F276 HydrophobicContact CZ-CB 4.01Å; F248-F276 AromaticContact CZ-CD1 3.62Å; F248-F276 HydrophobicContact CZ-CD1 3.62Å; F248-F276 HydrophobicContact CZ-CG 4.06Å; C260-F276 HydrophobicContact CB-CB 4.05Å; C260-F276 HydrophobicContact CB-CD2 4.45Å; F276-S278 PolarHBondContact O-N 2.92Å; F276-F279 WeakPolarHBondContact O-CB 3.5Å; F276-F279 PolarHBondContact O-N 3.22Å; F276-M300 HydrophobicContact CD1-CG 4.29Å; F276-M300 HydrophobicContact CE1-CG 4.08Å; F276-H303 AromaticContact CD1-CD2 4Å; F276-H303 AromaticContact CE1-CD2 3.52Å; F276-H303 AromaticContact CZ-CD2 3.68Å; F276-H303 PolarHBondContact O-NE2 2.96Å; F276-F304 HydrophobicContact CD1-CE1 4.48Å; F276-F304 AromaticContact CE1-CD1 3.78Å; F276-F304 HydrophobicContact CE1-CD1 3.78Å; F276-F304 AromaticContact CE1-CE1 3.29Å; F276-F304 HydrophobicContact CE1-CE1 3.29Å; F276-F304 AromaticContact CE1-CZ 3.8Å; F276-F304 HydrophobicContact CE1-CZ 3.8Å; F276-F304 HydrophobicContact CE2-CE1 4.11Å; F276-F304 AromaticContact CZ-CD1 3.54Å; F276-F304 HydrophobicContact CZ-CD1 3.54Å; F276-F304 AromaticContact CZ-CE1 3.08Å; F276-F304 HydrophobicContact CZ-CE1 3.08Å; F276-F304 AromaticContact CZ-CZ 3.99Å; F276-F304 HydrophobicContact CZ-CZ 3.99Å; F276-L307 HydrophobicContact CZ-CD1 4.35Å; F276-F317 HydrophobicContact CE2-CE1 4.33Å; F276-F317 HydrophobicContact CZ-CE1 4.12Å
277L98.4Very high98.6Very high75 Ų7526.1 Ų26.139%0.39316%0.162SC..G310 helixtrans-64.8-11.2178.9-56.7-177.3000113.6P275 L296 A299 H303P275-L277 VanDerWaalsContact C-N 3.33Å; P275-L277 PolarHBondContact O-N 3.34Å; L277-L296 HydrophobicContact CD1-CD1 3.96Å; L277-L296 HydrophobicContact CG-CD1 4.39Å; L277-A299 HydrophobicContact CD1-CB 3.9Å; L277-A299 HydrophobicContact CD2-CB 4.29Å; L277-H303 HydrophobicContact CD2-CB 3.97Å
278S98.4Very high98.6Very high100 Ų10026.1 Ų26.170%0.69916%0.162SC*.G310 helixtrans-105.8-0.1173.4-540000113P275 F276P275-S278 PolarHBondContact O-N 3.26Å; F276-S278 PolarHBondContact O-N 2.92Å
279F98.5Very high98.5Very high30 Ų3026.8 Ų26.813%0.13217%0.165CC..  trans-100.7121.2178.1-178.5-114.5000109.7C140 F245 C260 R273 P275 F276 P281 F286 H303C140-F279 HydrophobicContact CB-CE2 3.9Å; C140-F279 HydrophobicContact CB-CZ 3.93Å; F245-F279 HydrophobicContact CE1-CD1 4.41Å; F245-F279 HydrophobicContact CE1-CE1 4.21Å; F245-F279 HydrophobicContact CE2-CE1 4.19Å; F245-F279 HydrophobicContact CE2-CZ 4.17Å; F245-F279 HydrophobicContact CZ-CD1 4.17Å; F245-F279 AromaticContact CZ-CE1 3.85Å; F245-F279 HydrophobicContact CZ-CE1 3.85Å; F245-F279 HydrophobicContact CZ-CZ 4.18Å; C260-F279 VanDerWaalsContact SG-CB 3.56Å; R273-F279 HydrophobicContact CB-CD2 4.06Å; R273-F279 HydrophobicContact CB-CE2 4.24Å; R273-F279 HydrophobicContact CG-CD2 4.43Å; R273-F279 HydrophobicContact CG-CE2 4.11Å; P275-F279 PolarHBondContact O-N 3.37Å; F276-F279 WeakPolarHBondContact O-CB 3.5Å; F276-F279 PolarHBondContact O-N 3.22Å; F279-P281 HydrophobicContact CD1-CB 4.48Å; F279-P281 HydrophobicContact CD1-CG 4.09Å; F279-P281 HydrophobicContact CE1-CB 3.75Å; F279-P281 HydrophobicContact CE1-CG 3.77Å; F279-P281 HydrophobicContact CZ-CB 4.08Å; F279-P281 VanDerWaalsContact O-CD 3.28Å; F279-P281 WeakPolarHBondContact O-CD 3.34Å; F279-F286 AromaticContact CE1-CE1 3.9Å; F279-F286 HydrophobicContact CE1-CE1 3.9Å; F279-F286 HydrophobicContact CE1-CZ 4.35Å; F279-H303 PolarHBondContact O-CE1 3.17Å; F279-H303 PolarHBondContact O-NE2 2.81Å
280S98.3Very high98.3Very high64 Ų6425.7 Ų25.745%0.44816%0.16SC..  trans-118.176.9-175.9-62.20000111.7
281P98.2Very high98Very high10 Ų1027 Ų277%0.06517%0.169CC..  trans-67.2139.7176.829.4-33.9000110.8F279 F286 L307 L315 F317F279-P281 HydrophobicContact CD1-CB 4.48Å; F279-P281 HydrophobicContact CD1-CG 4.09Å; F279-P281 HydrophobicContact CE1-CB 3.75Å; F279-P281 HydrophobicContact CE1-CG 3.77Å; F279-P281 HydrophobicContact CZ-CB 4.08Å; F279-P281 VanDerWaalsContact O-CD 3.28Å; F279-P281 WeakPolarHBondContact O-CD 3.34Å; P281-F286 HydrophobicContact CB-CE1 4.32Å; P281-F286 HydrophobicContact CB-CE2 4.01Å; P281-F286 HydrophobicContact CB-CZ 3.52Å; P281-F286 HydrophobicContact CG-CE1 4.39Å; P281-F286 HydrophobicContact CG-CE2 4.12Å; P281-F286 HydrophobicContact CG-CZ 3.85Å; P281-L307 HydrophobicContact CG-CD1 4.04Å; P281-L315 HydrophobicContact CG-CD1 4.48Å; P281-F317 HydrophobicContact CG-CZ 4.27Å
282V98.3Very high97.4Very high57 Ų5731 Ų3135%0.34519%0.186SC..SBendtrans-88.1-31.6170.9179.20000110.5L137 S311 E313L137-V282 HydrophobicContact CD1-CG1 4.43Å; L137-V282 HydrophobicContact CD2-CB 4.4Å; L137-V282 HydrophobicContact CD2-CG2 3.79Å; V282-S311 WeakPolarHBondContact CG1-OG 3.29Å; V282-S311 VanDerWaalsContact O-CB 3.32Å; V282-S311 WeakPolarHBondContact O-CB 3.4Å; V282-S311 PolarHBondContact O-OG 3.49Å; V282-E313 HydrophobicContact CG1-CB 4.28Å; V282-E313 HydrophobicContact CG1-CG 3.96Å
283S98.8Very high96.9Very high62 Ų6233.5 Ų33.543%0.43420%0.203SC..SBendtrans-147164.8179.2680000111.4P314S283-P314 WeakPolarHBondContact CA-O 3.22Å; S283-P314 WeakPolarHBondContact CB-O 3.39Å
284G98.8Very high96.5Very high19 Ų1934.4 Ų34.420%0.19621%0.209CC..EExtended strand (participates in β ladder)trans131.8172.1175.700000113.5P314 L315 S316 W389G284-P314 PolarHBondContact N-O 2.95Å; G284-L315 WeakPolarHBondContact O-CA 3.15Å; G284-S316 PolarHBondContact O-N 2.99Å; G284-W389 WeakPolarHBondContact O-CZ3 3.37Å
285S98.9Very high96.2Very high1 Ų140.4 Ų40.41%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-120.6127173.9-176.80000109.5F241 G242 V243 T244 S316F241-S285 VanDerWaalsContact O-CB 3.28Å; F241-S285 WeakPolarHBondContact O-CB 3.32Å; F241-S285 PolarHBondContact O-OG 3.46Å; G242-S285 WeakPolarHBondContact O-CB 3.31Å; V243-S285 WeakPolarHBondContact CA-O 3.45Å; V243-S285 WeakPolarHBondContact CG2-OG 3.28Å; T244-S285 PolarHBondContact N-O 3.03Å; T244-S285 VanDerWaalsContact N-O 3.12Å; S285-S316 WeakPolarHBondContact CA-O 3.41Å
286F98.9Very high96Very high10 Ų1040.4 Ų40.44%0.04423%0.233CC..EExtended strand (participates in β ladder)trans-128.6139.8-163.2-61.7-90.8000110.6F245 F279 P281 L315 S316 F317 I318F245-F286 HydrophobicContact CB-CD1 3.53Å; F245-F286 HydrophobicContact CB-CE1 3.71Å; F245-F286 AromaticContact CD1-CD1 3.48Å; F245-F286 HydrophobicContact CD1-CD1 3.48Å; F245-F286 VanDerWaalsContact CD1-CD1 3.48Å; F245-F286 AromaticContact CD1-CE1 3.75Å; F245-F286 HydrophobicContact CD1-CE1 3.75Å; F245-F286 HydrophobicContact CD2-CE1 4.14Å; F245-F286 HydrophobicContact CE1-CD1 4.32Å; F245-F286 HydrophobicContact CE1-CE1 4.38Å; F245-F286 AromaticContact CG-CD1 3.63Å; F245-F286 HydrophobicContact CG-CD1 3.63Å; F245-F286 AromaticContact CG-CE1 3.61Å; F245-F286 HydrophobicContact CG-CE1 3.61Å; F245-F286 WeakPolarHBondContact O-CA 3.42Å; F279-F286 AromaticContact CE1-CE1 3.9Å; F279-F286 HydrophobicContact CE1-CE1 3.9Å; F279-F286 HydrophobicContact CE1-CZ 4.35Å; P281-F286 HydrophobicContact CB-CE1 4.32Å; P281-F286 HydrophobicContact CB-CE2 4.01Å; P281-F286 HydrophobicContact CB-CZ 3.52Å; P281-F286 HydrophobicContact CG-CE1 4.39Å; P281-F286 HydrophobicContact CG-CE2 4.12Å; P281-F286 HydrophobicContact CG-CZ 3.85Å; F286-L315 HydrophobicContact CD2-CD1 3.95Å; F286-L315 HydrophobicContact CE2-CD1 3.49Å; F286-L315 VanDerWaalsContact CE2-CD1 3.49Å; F286-S316 WeakPolarHBondContact CD2-O 3.27Å; F286-S316 PolarHBondContact N-O 3.14Å; F286-F317 HydrophobicContact CB-CD1 3.53Å; F286-F317 HydrophobicContact CB-CE1 3.84Å; F286-F317 HydrophobicContact CD1-CE1 4.45Å; F286-F317 HydrophobicContact CD2-CD1 4.04Å; F286-F317 AromaticContact CD2-CE1 3.64Å; F286-F317 HydrophobicContact CD2-CE1 3.64Å; F286-F317 HydrophobicContact CD2-CZ 4.21Å; F286-F317 HydrophobicContact CE2-CE1 4.37Å; F286-F317 AromaticContact CG-CD1 3.95Å; F286-F317 HydrophobicContact CG-CD1 3.95Å; F286-F317 AromaticContact CG-CE1 3.72Å; F286-F317 HydrophobicContact CG-CE1 3.72Å; F286-I318 PolarHBondContact O-N 3.17Å
287E98.8Very high95.9Very high3 Ų340.3 Ų40.31%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-97142.8164.9179-80.6168.300108.9L229 F234 L237 V243 F245 E246 C247 N289 I318 F320L229-E287 HydrophobicContact CD1-CG 3.89Å; L229-E287 WeakPolarHBondContact CD1-OE1 3.49Å; F234-E287 HydrophobicContact CE1-CG 4.06Å; L237-E287 HydrophobicContact CD1-CB 4.31Å; L237-E287 HydrophobicContact CD1-CG 3.88Å; V243-E287 HydrophobicContact CG1-CB 3.71Å; F245-E287 PolarHBondContact O-N 2.98Å; E246-E287 CarbonylContact C-O 3.55Å; C247-E287 WeakPolarHBondContact CB-O 3.43Å; C247-E287 PolarHBondContact N-O 3.43Å; E287-N289 WeakPolarHBondContact OE1-CB 3.42Å; E287-N289 PolarHBondContact OE1-N 2.9Å; E287-I318 WeakPolarHBondContact CA-O 3.33Å; E287-F320 HydrophobicContact CG-CD2 3.95Å; E287-F320 HydrophobicContact CG-CE2 3.72Å
288A98.4Very high95.7Very high0 Ų039.6 Ų39.60%023%0.23CC..EExtended strand (participates in β ladder)trans-137.6112.6175.300000111.6C247 F248 P290 F304 I318 I319 F320C247-A288 HydrophobicContact CB-CB 3.76Å; F248-A288 HydrophobicContact CD2-CB 4.25Å; F248-A288 HydrophobicContact CE2-CB 4.37Å; A288-P290 WeakPolarHBondContact O-CD 3Å; A288-F304 HydrophobicContact CB-CE2 4.37Å; A288-F304 HydrophobicContact CB-CZ 3.67Å; A288-I318 PolarHBondContact N-O 3.16Å; A288-I319 HydrophobicContact CB-CG1 4.23Å; A288-I319 CarbonylContact O-C 3.53Å; A288-I319 VanDerWaalsContact O-CA 3.31Å; A288-I319 WeakPolarHBondContact O-CA 3.38Å; A288-F320 PolarHBondContact O-N 2.94Å
289N96.7Very high95.7Very high16 Ų1636.6 Ų36.69%0.08621%0.211CC..  trans-119.581.6170176.124.6000109G227 E287 F320G227-N289 PolarHBondContact O-ND2 3.08Å; E287-N289 WeakPolarHBondContact OE1-CB 3.42Å; E287-N289 PolarHBondContact OE1-N 2.9Å; N289-F320 HydrophobicContact CB-CB 4.27Å
290P94.8Very high95.6Very high1 Ų135.1 Ų35.11%0.00621%0.205CC..  trans-69152.4-173.430.7-37.1000111.9F248 A288 M297 M300 V321F248-P290 HydrophobicContact CD1-CB 4.4Å; F248-P290 HydrophobicContact CD2-CB 3.91Å; F248-P290 HydrophobicContact CE1-CB 4.38Å; F248-P290 HydrophobicContact CE2-CB 3.91Å; F248-P290 HydrophobicContact CG-CB 4.18Å; F248-P290 HydrophobicContact CZ-CB 4.13Å; A288-P290 WeakPolarHBondContact O-CD 3Å; P290-M297 HydrophobicContact CB-CG 4.26Å; P290-M297 HydrophobicContact CG-CG 4.02Å; P290-M300 HydrophobicContact CB-SD 3.82Å; P290-M300 HydrophobicContact CG-CE 4.05Å; P290-M300 HydrophobicContact CG-SD 3.72Å; P290-V321 HydrophobicContact CG-CG1 3.93Å
291P91.4Very high95.6Very high28 Ų2832.1 Ų32.118%0.18218%0.183CC..  trans-64.9152.8169.829.8-32.9000110.1L225 C293 L296L225-P291 HydrophobicContact CD2-CB 4.07Å; P291-C293 PolarHBondContact O-N 3.24Å; P291-L296 HydrophobicContact CG-CD2 3.52Å
292F85.9Confident95.6Very high82 Ų8233.9 Ų33.936%0.3619%0.194SC..SBendtrans-77.869.2-172.5-51.4-28000112.8P322 W324F292-P322 HydrophobicContact CD1-CG 3.72Å; F292-P322 HydrophobicContact CD2-CG 4.36Å; F292-P322 HydrophobicContact CE1-CG 3.22Å; F292-P322 HydrophobicContact CE2-CG 3.91Å; F292-P322 HydrophobicContact CG-CG 4.29Å; F292-P322 HydrophobicContact CZ-CG 3.32Å; F292-W324 HydrophobicContact CB-CH2 3.68Å; F292-W324 HydrophobicContact CB-CZ3 4.02Å; F292-W324 AromaticContact CD2-CH2 3.65Å; F292-W324 HydrophobicContact CD2-CH2 3.65Å; F292-W324 AromaticContact CD2-CZ2 3.96Å; F292-W324 HydrophobicContact CD2-CZ2 3.96Å; F292-W324 HydrophobicContact CE2-CH2 4.47Å; F292-W324 HydrophobicContact CE2-CZ2 4.37Å; F292-W324 AromaticContact CG-CH2 3.74Å; F292-W324 HydrophobicContact CG-CH2 3.74Å; F292-W324 HydrophobicContact CG-CZ2 4.38Å; F292-W324 HydrophobicContact CG-CZ3 4.36Å
293C89.8Confident95.7Very high53 Ų5332.1 Ų32.136%0.35818%0.182SC..  trans-122.8113.6171.1168.40000107.7P291 E295 L296 M297P291-C293 PolarHBondContact O-N 3.24Å; C293-E295 VanDerWaalsContact C-N 3.28Å; C293-E295 PolarHBondContact O-N 3.35Å; C293-E295 PolarHBondContact SG-OE2 3.06Å; C293-L296 HydrophobicContact CB-CB 3.98Å; C293-L296 PolarHBondContact O-N 3.02Å; C293-L296 VanDerWaalsContact O-N 3.12Å; C293-M297 WeakPolarHBondContact O-CG 3.38Å; C293-M297 PolarHBondContact O-N 2.95Å
294E89.6Confident95.7Very high54 Ų5429.1 Ų29.125%0.25216%0.161SC..Hα-helixtrans-58.7-40.3-175-78.1172-127.800112.3R3 L296 M297 D298 T329R3-E294 IonicContact CZ-OE1 2.84Å; R3-E294 IonicContact CZ-OE2 3.35Å; R3-E294 IonicContact NH1-OE1 3.94Å; R3-E294 PolarHBondContact NH1-OE1 2.9Å; R3-E294 IonicContact NH1-OE2 3.06Å; R3-E294 PolarHBondContact NH1-OE2 2.91Å; R3-E294 VanDerWaalsContact NH2-CD 3.29Å; R3-E294 IonicContact NH2-OE1 2.71Å; R3-E294 PolarHBondContact NH2-OE1 3.37Å; R3-E294 IonicContact NH2-OE2 3.86Å; E294-L296 VanDerWaalsContact C-N 3.34Å; E294-L296 PolarHBondContact O-N 3.47Å; E294-M297 PolarHBondContact O-N 3.21Å; E294-D298 WeakPolarHBondContact O-CB 3.29Å; E294-D298 PolarHBondContact O-N 3.37Å; E294-T329 HydrophobicContact CG-CG2 4.25Å
295E92.9Very high95.7Very high130 Ų13030.7 Ų30.761%0.60716%0.164SC*.Hα-helixtrans-64.6-39178.6-59.984.5171.200111.7C293 A299C293-E295 VanDerWaalsContact C-N 3.28Å; C293-E295 PolarHBondContact O-N 3.35Å; C293-E295 PolarHBondContact SG-OE2 3.06Å; E295-A299 WeakPolarHBondContact O-CB 2.98Å; E295-A299 PolarHBondContact O-N 2.83Å; E295-A299 VanDerWaalsContact O-N 3.08Å
296L94.8Very high95.6Very high47 Ų4736.1 Ų36.125%0.24619%0.189CC..Hα-helixtrans-70.3-42.5175.6178.664.9000111.4F248 L277 P291 C293 E294 D298 A299 M300F248-L296 HydrophobicContact CE1-CD1 4.37Å; F248-L296 HydrophobicContact CE1-CD2 4.05Å; F248-L296 HydrophobicContact CE1-CG 4.33Å; L277-L296 HydrophobicContact CD1-CD1 3.96Å; L277-L296 HydrophobicContact CG-CD1 4.39Å; P291-L296 HydrophobicContact CG-CD2 3.52Å; C293-L296 HydrophobicContact CB-CB 3.98Å; C293-L296 PolarHBondContact O-N 3.02Å; C293-L296 VanDerWaalsContact O-N 3.12Å; E294-L296 VanDerWaalsContact C-N 3.34Å; E294-L296 PolarHBondContact O-N 3.47Å; L296-D298 VanDerWaalsContact C-N 3.31Å; L296-D298 PolarHBondContact O-N 3.07Å; L296-A299 PolarHBondContact O-N 2.77Å; L296-M300 VanDerWaalsContact O-CB 3.23Å; L296-M300 WeakPolarHBondContact O-CB 3.49Å; L296-M300 PolarHBondContact O-N 2.67Å
297M94.6Very high95.6Very high4 Ų435.7 Ų35.72%0.0219%0.187CC..Hα-helixtrans-62.6-41177.4-68.7175.262.200110.7P290 C293 E294 M300 V301 V321 A331P290-M297 HydrophobicContact CB-CG 4.26Å; P290-M297 HydrophobicContact CG-CG 4.02Å; C293-M297 WeakPolarHBondContact O-CG 3.38Å; C293-M297 PolarHBondContact O-N 2.95Å; E294-M297 PolarHBondContact O-N 3.21Å; M297-M300 WeakPolarHBondContact O-CB 3Å; M297-M300 PolarHBondContact O-N 2.86Å; M297-V301 WeakPolarHBondContact O-CG2 3.19Å; M297-V301 PolarHBondContact O-N 3.4Å; M297-V321 HydrophobicContact CE-CB 3.91Å; M297-V321 HydrophobicContact CE-CG1 3.46Å; M297-V321 VanDerWaalsContact CE-CG1 3.46Å; M297-A331 HydrophobicContact CB-CB 3.56Å; M297-A331 HydrophobicContact CE-CB 4.19Å
298D94.6Very high95.6Very high60 Ų6035.7 Ų35.732%0.32119%0.187SC..Hα-helixtrans-64.3-45.7176.6-172.268.3000112.1E294 L296 M300 V301 T302 R334E294-D298 WeakPolarHBondContact O-CB 3.29Å; E294-D298 PolarHBondContact O-N 3.37Å; L296-D298 VanDerWaalsContact C-N 3.31Å; L296-D298 PolarHBondContact O-N 3.07Å; D298-M300 VanDerWaalsContact C-N 3.3Å; D298-M300 PolarHBondContact O-N 2.94Å; D298-V301 PolarHBondContact O-N 3.13Å; D298-T302 PolarHBondContact O-N 2.92Å; D298-T302 PolarHBondContact O-OG1 3.18Å; D298-R334 PolarHBondContact O-NH1 3.34Å; D298-R334 WeakPolarHBondContact OD1-CD 3.45Å; D298-R334 IonicContact OD1-CZ 3.05Å; D298-R334 IonicContact OD1-NE 3.53Å; D298-R334 IonicContact OD1-NH1 2.6Å; D298-R334 PolarHBondContact OD1-NH1 3.37Å; D298-R334 IonicContact OD2-NH1 3.57Å; D298-R334 PolarHBondContact OD2-NH1 3.14Å
299A97.9Very high95.6Very high37 Ų3740.5 Ų40.531%0.30621%0.213SC..Hα-helixtrans-62.7-37174.100000112.5L277 E295 L296 T302 H303L277-A299 HydrophobicContact CD1-CB 3.9Å; L277-A299 HydrophobicContact CD2-CB 4.29Å; E295-A299 WeakPolarHBondContact O-CB 2.98Å; E295-A299 PolarHBondContact O-N 2.83Å; E295-A299 VanDerWaalsContact O-N 3.08Å; L296-A299 PolarHBondContact O-N 2.77Å; A299-T302 PolarHBondContact O-N 3.38Å; A299-H303 WeakPolarHBondContact O-CB 3.27Å; A299-H303 PolarHBondContact O-N 2.98Å
300M98.1Very high95.7Very high0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-62.1-44175.4174.2-159.672.200111.3F248 F276 P290 L296 M297 D298 H303 F304 I319 M335F248-M300 HydrophobicContact CD2-SD 4.41Å; F248-M300 HydrophobicContact CE2-CG 3.8Å; F248-M300 HydrophobicContact CE2-SD 3.4Å; F248-M300 WeakPolarHBondContact CE2-SD 3.45Å; F248-M300 HydrophobicContact CZ-CB 4.12Å; F248-M300 HydrophobicContact CZ-CG 3.77Å; F248-M300 HydrophobicContact CZ-SD 3.79Å; F276-M300 HydrophobicContact CD1-CG 4.29Å; F276-M300 HydrophobicContact CE1-CG 4.08Å; P290-M300 HydrophobicContact CB-SD 3.82Å; P290-M300 HydrophobicContact CG-CE 4.05Å; P290-M300 HydrophobicContact CG-SD 3.72Å; L296-M300 VanDerWaalsContact O-CB 3.23Å; L296-M300 WeakPolarHBondContact O-CB 3.49Å; L296-M300 PolarHBondContact O-N 2.67Å; M297-M300 WeakPolarHBondContact O-CB 3Å; M297-M300 PolarHBondContact O-N 2.86Å; D298-M300 VanDerWaalsContact C-N 3.3Å; D298-M300 PolarHBondContact O-N 2.94Å; M300-H303 PolarHBondContact O-N 2.84Å; M300-F304 HydrophobicContact CE-CD2 4.35Å; M300-F304 HydrophobicContact CE-CE2 3.7Å; M300-F304 HydrophobicContact CG-CD2 3.83Å; M300-F304 HydrophobicContact CG-CE1 4.39Å; M300-F304 HydrophobicContact CG-CE2 3.25Å; M300-F304 HydrophobicContact CG-CZ 3.56Å; M300-F304 WeakPolarHBondContact O-CD2 3.26Å; M300-F304 WeakPolarHBondContact O-CG 3.34Å; M300-F304 PolarHBondContact O-N 2.9Å; M300-F304 HydrophobicContact SD-CD2 4.44Å; M300-F304 HydrophobicContact SD-CE2 3.46Å; M300-F304 WeakPolarHBondContact SD-CE2 3.43Å; M300-F304 HydrophobicContact SD-CZ 3.82Å; M300-I319 HydrophobicContact CE-CG2 4.08Å; M300-M335 HydrophobicContact CE-SD 4.22Å
301V98.1Very high95.8Very high0 Ų048.7 Ų48.70%024%0.244CC..Hα-helixtrans-61.8-46.9177.7177.30000110.7M297 D298 H303 F304 E305 A331 R334 M335M297-V301 WeakPolarHBondContact O-CG2 3.19Å; M297-V301 PolarHBondContact O-N 3.4Å; D298-V301 PolarHBondContact O-N 3.13Å; V301-H303 VanDerWaalsContact C-N 3.31Å; V301-H303 PolarHBondContact O-N 2.85Å; V301-F304 PolarHBondContact O-N 3.21Å; V301-E305 WeakPolarHBondContact O-CG 3.34Å; V301-E305 PolarHBondContact O-N 3.34Å; V301-A331 HydrophobicContact CG2-CB 4.21Å; V301-R334 HydrophobicContact CG1-CB 3.97Å; V301-M335 HydrophobicContact CB-CG 4.38Å; V301-M335 HydrophobicContact CG1-CG 4.04Å; V301-M335 HydrophobicContact CG2-CE 4.44Å; V301-M335 HydrophobicContact CG2-CG 3.38Å; V301-M335 HydrophobicContact CG2-SD 3.83Å
302T98.6Very high96.1Very high48 Ų4852.2 Ų52.229%0.29427%0.27SS..Hα-helixtrans-56.3-47.3175.1-57.50000111.2D298 A299 F304 E305 E306 R334D298-T302 PolarHBondContact O-N 2.92Å; D298-T302 PolarHBondContact O-OG1 3.18Å; A299-T302 PolarHBondContact O-N 3.38Å; T302-F304 PolarHBondContact O-N 3.2Å; T302-E305 PolarHBondContact O-N 2.94Å; T302-E306 WeakPolarHBondContact O-CG 3.45Å; T302-E306 PolarHBondContact O-N 3.34Å; T302-R334 PolarHBondContact OG1-NH1 3.36Å; T302-R334 VanDerWaalsContact OG1-NH1 3.08Å; T302-R334 PolarHBondContact OG1-NH2 3.26Å
303H98.8Very high96.8Very high19 Ų1952.8 Ų52.89%0.08827%0.273CS..Hα-helixtrans-62.6-41.9179.2-16855000112.4F276 L277 F279 A299 M300 V301 E306 L307F276-H303 AromaticContact CD1-CD2 4Å; F276-H303 AromaticContact CE1-CD2 3.52Å; F276-H303 AromaticContact CZ-CD2 3.68Å; F276-H303 PolarHBondContact O-NE2 2.96Å; L277-H303 HydrophobicContact CD2-CB 3.97Å; F279-H303 PolarHBondContact O-CE1 3.17Å; F279-H303 PolarHBondContact O-NE2 2.81Å; A299-H303 WeakPolarHBondContact O-CB 3.27Å; A299-H303 PolarHBondContact O-N 2.98Å; M300-H303 PolarHBondContact O-N 2.84Å; V301-H303 VanDerWaalsContact C-N 3.31Å; V301-H303 PolarHBondContact O-N 2.85Å; H303-E306 PolarHBondContact O-N 3.49Å; H303-L307 WeakPolarHBondContact O-CB 3.1Å; H303-L307 WeakPolarHBondContact O-CG 3.42Å; H303-L307 PolarHBondContact O-N 3.03Å
304F98.7Very high97.2Very high0 Ų051.8 Ų51.80%027%0.266CS..Hα-helixtrans-60-47.9174.5-70.3-40000112.2F276 A288 M300 V301 T302 E306 L307 L308 F317 I319F276-F304 HydrophobicContact CD1-CE1 4.48Å; F276-F304 AromaticContact CE1-CD1 3.78Å; F276-F304 HydrophobicContact CE1-CD1 3.78Å; F276-F304 AromaticContact CE1-CE1 3.29Å; F276-F304 HydrophobicContact CE1-CE1 3.29Å; F276-F304 AromaticContact CE1-CZ 3.8Å; F276-F304 HydrophobicContact CE1-CZ 3.8Å; F276-F304 HydrophobicContact CE2-CE1 4.11Å; F276-F304 AromaticContact CZ-CD1 3.54Å; F276-F304 HydrophobicContact CZ-CD1 3.54Å; F276-F304 AromaticContact CZ-CE1 3.08Å; F276-F304 HydrophobicContact CZ-CE1 3.08Å; F276-F304 AromaticContact CZ-CZ 3.99Å; F276-F304 HydrophobicContact CZ-CZ 3.99Å; A288-F304 HydrophobicContact CB-CE2 4.37Å; A288-F304 HydrophobicContact CB-CZ 3.67Å; M300-F304 HydrophobicContact CE-CD2 4.35Å; M300-F304 HydrophobicContact CE-CE2 3.7Å; M300-F304 HydrophobicContact CG-CD2 3.83Å; M300-F304 HydrophobicContact CG-CE1 4.39Å; M300-F304 HydrophobicContact CG-CE2 3.25Å; M300-F304 HydrophobicContact CG-CZ 3.56Å; M300-F304 WeakPolarHBondContact O-CD2 3.26Å; M300-F304 WeakPolarHBondContact O-CG 3.34Å; M300-F304 PolarHBondContact O-N 2.9Å; M300-F304 HydrophobicContact SD-CD2 4.44Å; M300-F304 HydrophobicContact SD-CE2 3.46Å; M300-F304 WeakPolarHBondContact SD-CE2 3.43Å; M300-F304 HydrophobicContact SD-CZ 3.82Å; V301-F304 PolarHBondContact O-N 3.21Å; T302-F304 PolarHBondContact O-N 3.2Å; F304-E306 VanDerWaalsContact C-N 3.34Å; F304-E306 PolarHBondContact O-N 3.44Å; F304-L307 PolarHBondContact O-N 3.19Å; F304-L308 WeakPolarHBondContact O-CB 3.48Å; F304-L308 WeakPolarHBondContact O-CD1 3.5Å; F304-L308 WeakPolarHBondContact O-CG 3.3Å; F304-L308 PolarHBondContact O-N 2.84Å; F304-F317 HydrophobicContact CB-CD2 4.28Å; F304-F317 HydrophobicContact CD1-CB 4.13Å; F304-F317 AromaticContact CD1-CD1 3.44Å; F304-F317 HydrophobicContact CD1-CD1 3.44Å; F304-F317 VanDerWaalsContact CD1-CD1 3.44Å; F304-F317 AromaticContact CD1-CD2 3.56Å; F304-F317 HydrophobicContact CD1-CD2 3.56Å; F304-F317 AromaticContact CD1-CE1 3.63Å; F304-F317 HydrophobicContact CD1-CE1 3.63Å; F304-F317 AromaticContact CD1-CE2 3.73Å; F304-F317 HydrophobicContact CD1-CE2 3.73Å; F304-F317 AromaticContact CD1-CG 3.41Å; F304-F317 HydrophobicContact CD1-CG 3.41Å; F304-F317 VanDerWaalsContact CD1-CG 3.41Å; F304-F317 AromaticContact CD1-CZ 3.77Å; F304-F317 HydrophobicContact CD1-CZ 3.77Å; F304-F317 HydrophobicContact CE1-CB 4.03Å; F304-F317 AromaticContact CE1-CD1 3.13Å; F304-F317 HydrophobicContact CE1-CD1 3.13Å; F304-F317 HydrophobicContact CE1-CD2 4.14Å; F304-F317 AromaticContact CE1-CE1 3.52Å; F304-F317 HydrophobicContact CE1-CE1 3.52Å; F304-F317 HydrophobicContact CE1-CE2 4.43Å; F304-F317 AromaticContact CE1-CG 3.5Å; F304-F317 HydrophobicContact CE1-CG 3.5Å; F304-F317 VanDerWaalsContact CE1-CG 3.5Å; F304-F317 HydrophobicContact CE1-CZ 4.16Å; F304-F317 HydrophobicContact CG-CD2 4.12Å; F304-F317 HydrophobicContact CG-CG 4.14Å; F304-F317 HydrophobicContact CZ-CB 4.34Å; F304-F317 HydrophobicContact CZ-CD1 4.06Å; F304-F317 HydrophobicContact CZ-CG 4.28Å; F304-I319 HydrophobicContact CD2-CG1 4.26Å; F304-I319 HydrophobicContact CE2-CD1 4.27Å; F304-I319 HydrophobicContact CE2-CG1 3.59Å; F304-I319 HydrophobicContact CZ-CG1 4.16Å
305E98.6Very high97.6Very high52 Ų5249.2 Ų49.224%0.24325%0.254CS..Hα-helixtrans-63.6-40.5-178.7-68.2-173.3142.500111.9V301 T302 L308 D309 R334 S338 F340V301-E305 WeakPolarHBondContact O-CG 3.34Å; V301-E305 PolarHBondContact O-N 3.34Å; T302-E305 PolarHBondContact O-N 2.94Å; E305-L308 PolarHBondContact O-N 3.43Å; E305-D309 VanDerWaalsContact O-CB 3.24Å; E305-D309 WeakPolarHBondContact O-CB 3.36Å; E305-D309 PolarHBondContact O-N 2.85Å; E305-R334 IonicContact OE2-NH2 2.97Å; E305-S338 VanDerWaalsContact OE1-CB 3.27Å; E305-S338 WeakPolarHBondContact OE1-CB 3.39Å; E305-S338 PolarHBondContact OE1-OG 3.1Å; E305-F340 HydrophobicContact CB-CE2 4.45Å; E305-F340 HydrophobicContact CG-CD2 4.36Å
306E98.7Very high97.9Very high114 Ų11443 Ų4353%0.53323%0.225SC..Hα-helixtrans-62.4-42.2174-73.2176.7-177.100112.2T302 H303 F304 R310T302-E306 WeakPolarHBondContact O-CG 3.45Å; T302-E306 PolarHBondContact O-N 3.34Å; H303-E306 PolarHBondContact O-N 3.49Å; F304-E306 VanDerWaalsContact C-N 3.34Å; F304-E306 PolarHBondContact O-N 3.44Å; E306-R310 VanDerWaalsContact O-CB 3.3Å; E306-R310 WeakPolarHBondContact O-CB 3.36Å; E306-R310 WeakPolarHBondContact O-CD 3.39Å; E306-R310 WeakPolarHBondContact O-CG 3.3Å; E306-R310 PolarHBondContact O-N 3.48Å
307L98.8Very high98.1Very high1 Ų140.8 Ų40.81%0.00521%0.214CC..Hα-helixtrans-68-40.5177.8-68.2172000112.8F276 P281 H303 F304 R310 S311 L315 F317F276-L307 HydrophobicContact CZ-CD1 4.35Å; P281-L307 HydrophobicContact CG-CD1 4.04Å; H303-L307 WeakPolarHBondContact O-CB 3.1Å; H303-L307 WeakPolarHBondContact O-CG 3.42Å; H303-L307 PolarHBondContact O-N 3.03Å; F304-L307 PolarHBondContact O-N 3.19Å; L307-R310 WeakPolarHBondContact O-CG 3.41Å; L307-S311 PolarHBondContact O-N 2.92Å; L307-L315 HydrophobicContact CB-CD2 4.02Å; L307-L315 WeakPolarHBondContact O-CD2 3.25Å; L307-F317 HydrophobicContact CB-CE2 4.37Å; L307-F317 HydrophobicContact CB-CZ 4.44Å; L307-F317 HydrophobicContact CD1-CE2 4.5Å; L307-F317 HydrophobicContact CD1-CZ 3.89Å
308L98.8Very high98.3Very high3 Ų340.6 Ų40.62%0.01621%0.213CC..Hα-helixtrans-71-34.9179.1-69.2166.6000112F304 E305 L315 F317 F340 L380 N382F304-L308 WeakPolarHBondContact O-CB 3.48Å; F304-L308 WeakPolarHBondContact O-CD1 3.5Å; F304-L308 WeakPolarHBondContact O-CG 3.3Å; F304-L308 PolarHBondContact O-N 2.84Å; E305-L308 PolarHBondContact O-N 3.43Å; L308-L315 HydrophobicContact CD2-CB 4.08Å; L308-L315 HydrophobicContact CD2-CD2 4.04Å; L308-L315 HydrophobicContact CD2-CG 3.86Å; L308-F317 HydrophobicContact CD1-CD2 4.06Å; L308-F317 HydrophobicContact CD1-CE2 4.47Å; L308-F317 HydrophobicContact CD2-CD2 3.97Å; L308-F317 HydrophobicContact CD2-CE2 4.01Å; L308-F317 HydrophobicContact CG-CD2 4.01Å; L308-F317 HydrophobicContact CG-CE2 3.96Å; L308-F340 HydrophobicContact CB-CD1 3.95Å; L308-F340 HydrophobicContact CB-CD2 3.9Å; L308-F340 HydrophobicContact CB-CE1 3.89Å; L308-F340 HydrophobicContact CB-CE2 3.83Å; L308-F340 HydrophobicContact CB-CG 3.96Å; L308-F340 HydrophobicContact CB-CZ 3.82Å; L308-F340 HydrophobicContact CD1-CB 3.79Å; L308-F340 HydrophobicContact CD1-CD1 4.47Å; L308-F340 HydrophobicContact CD1-CD2 3.98Å; L308-F340 HydrophobicContact CD1-CG 3.84Å; L308-F340 HydrophobicContact CG-CG 4.5Å; L308-L380 HydrophobicContact CD1-CB 3.88Å; L308-N382 HydrophobicContact CB-CB 4.49Å; L308-N382 HydrophobicContact CD2-CB 4.13Å
309D98.5Very high98.5Very high101 Ų10137.8 Ų37.854%0.5420%0.197SC..Hα-helixtrans-74.3-40.7177.8-169.754.5000112.6E305 S311 R339 F340E305-D309 VanDerWaalsContact O-CB 3.24Å; E305-D309 WeakPolarHBondContact O-CB 3.36Å; E305-D309 PolarHBondContact O-N 2.85Å; D309-S311 VanDerWaalsContact C-N 3.31Å; D309-S311 PolarHBondContact O-N 3.22Å; D309-R339 IonicContact OD1-CZ 3.63Å; D309-R339 IonicContact OD1-NH2 3.88Å; D309-R339 PolarHBondContact OD1-NH2 3.11Å; D309-R339 IonicContact OD2-NH2 3.72Å; D309-F340 HydrophobicContact CB-CE2 4.41Å; D309-F340 HydrophobicContact CB-CZ 3.98Å
310R97.9Very high98.5Very high177 Ų17736 Ų3667%0.66818%0.183SC*.Hα-helixtrans-75.3-15.6-175.875-173.1-63179.61.2114.7E306 L307E306-R310 VanDerWaalsContact O-CB 3.3Å; E306-R310 WeakPolarHBondContact O-CB 3.36Å; E306-R310 WeakPolarHBondContact O-CD 3.39Å; E306-R310 WeakPolarHBondContact O-CG 3.3Å; E306-R310 PolarHBondContact O-N 3.48Å; L307-R310 WeakPolarHBondContact O-CG 3.41Å
311S97.7Very high98.3Very high12 Ų1236 Ų368%0.08418%0.183CC..  trans-115.2131.1-173.1-172.60000112.3V282 L307 D309 E313 N382V282-S311 WeakPolarHBondContact CG1-OG 3.29Å; V282-S311 VanDerWaalsContact O-CB 3.32Å; V282-S311 WeakPolarHBondContact O-CB 3.4Å; V282-S311 PolarHBondContact O-OG 3.49Å; L307-S311 PolarHBondContact O-N 2.92Å; D309-S311 VanDerWaalsContact C-N 3.31Å; D309-S311 PolarHBondContact O-N 3.22Å; S311-E313 PolarHBondContact OG-N 2.88Å; S311-E313 VanDerWaalsContact OG-N 3.11Å; S311-N382 PolarHBondContact O-ND2 2.88Å
312S98Very high97.9Very high103 Ų10336.5 Ų36.572%0.7219%0.186SC*.  trans-88.9-8.6168570000113.4A384S312-A384 VanDerWaalsContact O-CB 3.29Å; S312-A384 WeakPolarHBondContact O-CB 3.35Å
313E98.6Very high97.4Very high93 Ų9336.9 Ų36.944%0.43518%0.184SC..SBendtrans-79.5156.5179.6-64.6-61.5121.200111.2V282 S311 L315 N382V282-E313 HydrophobicContact CG1-CB 4.28Å; V282-E313 HydrophobicContact CG1-CG 3.96Å; S311-E313 PolarHBondContact OG-N 2.88Å; S311-E313 VanDerWaalsContact OG-N 3.11Å; E313-L315 PolarHBondContact O-N 3.28Å; E313-N382 PolarHBondContact O-ND2 3.15Å; E313-N382 PolarHBondContact O-OD1 2.83Å
314P98.9Very high96.8Very high33 Ų3339.8 Ų39.821%0.21420%0.195CC..  trans-57113.6-179.9-24.633.1000112.6S283 G284 A384 K388 W389S283-P314 WeakPolarHBondContact CA-O 3.22Å; S283-P314 WeakPolarHBondContact CB-O 3.39Å; G284-P314 PolarHBondContact N-O 2.95Å; P314-A384 HydrophobicContact CB-CB 4.36Å; P314-A384 HydrophobicContact CG-CB 4.04Å; P314-K388 HydrophobicContact CB-CB 4.44Å; P314-K388 HydrophobicContact CB-CD 4.06Å; P314-K388 HydrophobicContact CG-CD 4.31Å; P314-W389 HydrophobicContact CB-CE3 4.44Å; P314-W389 HydrophobicContact CB-CH2 3.95Å; P314-W389 HydrophobicContact CB-CZ3 3.67Å; P314-W389 WeakPolarHBondContact O-CZ3 3.48Å
315L98.9Very high96Very high0 Ų045.3 Ų45.30%022%0.216CC..EExtended strand (participates in β ladder)trans-135.6127.7-178.2-170.660.7000111.3P281 G284 F286 L307 L308 E313 F317 N382P281-L315 HydrophobicContact CG-CD1 4.48Å; G284-L315 WeakPolarHBondContact O-CA 3.15Å; F286-L315 HydrophobicContact CD2-CD1 3.95Å; F286-L315 HydrophobicContact CE2-CD1 3.49Å; F286-L315 VanDerWaalsContact CE2-CD1 3.49Å; L307-L315 HydrophobicContact CB-CD2 4.02Å; L307-L315 WeakPolarHBondContact O-CD2 3.25Å; L308-L315 HydrophobicContact CD2-CB 4.08Å; L308-L315 HydrophobicContact CD2-CD2 4.04Å; L308-L315 HydrophobicContact CD2-CG 3.86Å; E313-L315 PolarHBondContact O-N 3.28Å; L315-F317 HydrophobicContact CD1-CE2 4.14Å; L315-F317 HydrophobicContact CD1-CZ 3.97Å; L315-F317 HydrophobicContact CD2-CE2 3.92Å; L315-F317 HydrophobicContact CD2-CZ 4.23Å; L315-F317 HydrophobicContact CG-CE2 3.82Å; L315-F317 HydrophobicContact CG-CZ 4.15Å; L315-N382 PolarHBondContact N-OD1 3.23Å; L315-N382 VanDerWaalsContact N-OD1 3.07Å; L315-N382 PolarHBondContact O-N 3.46Å; L315-N382 PolarHBondContact O-OD1 2.95Å
316S98.9Very high95.2Very high0 Ų050.6 Ų50.60%025%0.246CC..EExtended strand (participates in β ladder)trans-141.2130.4-175.1172.40000111.4G284 S285 F286 Q381G284-S316 PolarHBondContact O-N 2.99Å; S285-S316 WeakPolarHBondContact CA-O 3.41Å; F286-S316 WeakPolarHBondContact CD2-O 3.27Å; F286-S316 PolarHBondContact N-O 3.14Å; S316-Q381 PolarHBondContact OG-NE2 3.22Å
317F98.9Very high94.4Very high0 Ų050.2 Ų50.20%025%0.253CS..EExtended strand (participates in β ladder)trans-118.1125.9170-59.7-77.8000109.4F276 P281 F286 F304 L307 L308 L315 I319 L380F276-F317 HydrophobicContact CE2-CE1 4.33Å; F276-F317 HydrophobicContact CZ-CE1 4.12Å; P281-F317 HydrophobicContact CG-CZ 4.27Å; F286-F317 HydrophobicContact CB-CD1 3.53Å; F286-F317 HydrophobicContact CB-CE1 3.84Å; F286-F317 HydrophobicContact CD1-CE1 4.45Å; F286-F317 HydrophobicContact CD2-CD1 4.04Å; F286-F317 AromaticContact CD2-CE1 3.64Å; F286-F317 HydrophobicContact CD2-CE1 3.64Å; F286-F317 HydrophobicContact CD2-CZ 4.21Å; F286-F317 HydrophobicContact CE2-CE1 4.37Å; F286-F317 AromaticContact CG-CD1 3.95Å; F286-F317 HydrophobicContact CG-CD1 3.95Å; F286-F317 AromaticContact CG-CE1 3.72Å; F286-F317 HydrophobicContact CG-CE1 3.72Å; F304-F317 HydrophobicContact CB-CD2 4.28Å; F304-F317 HydrophobicContact CD1-CB 4.13Å; F304-F317 AromaticContact CD1-CD1 3.44Å; F304-F317 HydrophobicContact CD1-CD1 3.44Å; F304-F317 VanDerWaalsContact CD1-CD1 3.44Å; F304-F317 AromaticContact CD1-CD2 3.56Å; F304-F317 HydrophobicContact CD1-CD2 3.56Å; F304-F317 AromaticContact CD1-CE1 3.63Å; F304-F317 HydrophobicContact CD1-CE1 3.63Å; F304-F317 AromaticContact CD1-CE2 3.73Å; F304-F317 HydrophobicContact CD1-CE2 3.73Å; F304-F317 AromaticContact CD1-CG 3.41Å; F304-F317 HydrophobicContact CD1-CG 3.41Å; F304-F317 VanDerWaalsContact CD1-CG 3.41Å; F304-F317 AromaticContact CD1-CZ 3.77Å; F304-F317 HydrophobicContact CD1-CZ 3.77Å; F304-F317 HydrophobicContact CE1-CB 4.03Å; F304-F317 AromaticContact CE1-CD1 3.13Å; F304-F317 HydrophobicContact CE1-CD1 3.13Å; F304-F317 HydrophobicContact CE1-CD2 4.14Å; F304-F317 AromaticContact CE1-CE1 3.52Å; F304-F317 HydrophobicContact CE1-CE1 3.52Å; F304-F317 HydrophobicContact CE1-CE2 4.43Å; F304-F317 AromaticContact CE1-CG 3.5Å; F304-F317 HydrophobicContact CE1-CG 3.5Å; F304-F317 VanDerWaalsContact CE1-CG 3.5Å; F304-F317 HydrophobicContact CE1-CZ 4.16Å; F304-F317 HydrophobicContact CG-CD2 4.12Å; F304-F317 HydrophobicContact CG-CG 4.14Å; F304-F317 HydrophobicContact CZ-CB 4.34Å; F304-F317 HydrophobicContact CZ-CD1 4.06Å; F304-F317 HydrophobicContact CZ-CG 4.28Å; L307-F317 HydrophobicContact CB-CE2 4.37Å; L307-F317 HydrophobicContact CB-CZ 4.44Å; L307-F317 HydrophobicContact CD1-CE2 4.5Å; L307-F317 HydrophobicContact CD1-CZ 3.89Å; L308-F317 HydrophobicContact CD1-CD2 4.06Å; L308-F317 HydrophobicContact CD1-CE2 4.47Å; L308-F317 HydrophobicContact CD2-CD2 3.97Å; L308-F317 HydrophobicContact CD2-CE2 4.01Å; L308-F317 HydrophobicContact CG-CD2 4.01Å; L308-F317 HydrophobicContact CG-CE2 3.96Å; L315-F317 HydrophobicContact CD1-CE2 4.14Å; L315-F317 HydrophobicContact CD1-CZ 3.97Å; L315-F317 HydrophobicContact CD2-CE2 3.92Å; L315-F317 HydrophobicContact CD2-CZ 4.23Å; L315-F317 HydrophobicContact CG-CE2 3.82Å; L315-F317 HydrophobicContact CG-CZ 4.15Å; F317-I319 HydrophobicContact CB-CD1 3.85Å; F317-I319 HydrophobicContact CB-CG1 4.39Å; F317-I319 WeakPolarHBondContact O-CD1 3.24Å; F317-L380 PolarHBondContact N-O 3.48Å; F317-L380 PolarHBondContact O-N 3.33Å
318I98.9Very high93.9Very high0 Ų053 Ų530%027%0.27CS..EExtended strand (participates in β ladder)trans-109.4108.5173.1-53.7178.1000107.3L237 F241 V243 F286 E287 A288 F320 V377 L378 F379L237-I318 HydrophobicContact CD2-CD1 3.75Å; L237-I318 HydrophobicContact CD2-CG2 4.1Å; F241-I318 HydrophobicContact CB-CD1 3.56Å; F241-I318 HydrophobicContact CD1-CD1 4.25Å; F241-I318 HydrophobicContact CD2-CD1 3.98Å; F241-I318 HydrophobicContact CG-CD1 3.66Å; V243-I318 HydrophobicContact CG2-CD1 3.86Å; F286-I318 PolarHBondContact O-N 3.17Å; E287-I318 WeakPolarHBondContact CA-O 3.33Å; A288-I318 PolarHBondContact N-O 3.16Å; I318-F320 HydrophobicContact CB-CE2 4.31Å; I318-F320 HydrophobicContact CG2-CE2 3.63Å; I318-F320 HydrophobicContact CG2-CZ 3.84Å; I318-V377 HydrophobicContact CG2-CG1 3.79Å; I318-L378 WeakPolarHBondContact CA-O 3.34Å; I318-F379 HydrophobicContact CD1-CD1 3.89Å; I318-F379 HydrophobicContact CD1-CE1 3.55Å; I318-F379 HydrophobicContact CD1-CZ 4.45Å; I318-F379 HydrophobicContact CG1-CD1 3.76Å; I318-F379 HydrophobicContact CG1-CE1 3.87Å; I318-F379 HydrophobicContact CG2-CD1 4.32Å; I318-F379 HydrophobicContact CG2-CE1 4.03Å; I318-F379 HydrophobicContact CG2-CE2 4.43Å; I318-F379 HydrophobicContact CG2-CZ 4.09Å
319I98.6Very high93.4Very high0 Ų053.2 Ų53.20%027%0.271CS..EExtended strand (participates in β ladder)trans-104.7131.1-168.4-53.693.1000110.1A288 M300 F304 F317 V321 M335 V377 L378 L380A288-I319 HydrophobicContact CB-CG1 4.23Å; A288-I319 CarbonylContact O-C 3.53Å; A288-I319 VanDerWaalsContact O-CA 3.31Å; A288-I319 WeakPolarHBondContact O-CA 3.38Å; M300-I319 HydrophobicContact CE-CG2 4.08Å; F304-I319 HydrophobicContact CD2-CG1 4.26Å; F304-I319 HydrophobicContact CE2-CD1 4.27Å; F304-I319 HydrophobicContact CE2-CG1 3.59Å; F304-I319 HydrophobicContact CZ-CG1 4.16Å; F317-I319 HydrophobicContact CB-CD1 3.85Å; F317-I319 HydrophobicContact CB-CG1 4.39Å; F317-I319 WeakPolarHBondContact O-CD1 3.24Å; I319-V321 HydrophobicContact CG2-CG1 3.88Å; I319-M335 HydrophobicContact CB-SD 4.24Å; I319-M335 HydrophobicContact CG1-SD 4.34Å; I319-M335 HydrophobicContact CG2-CE 4.36Å; I319-M335 HydrophobicContact CG2-SD 3.86Å; I319-V377 CarbonylContact O-C 3.54Å; I319-V377 VanDerWaalsContact O-CA 3.25Å; I319-V377 WeakPolarHBondContact O-CA 3.43Å; I319-L378 WeakPolarHBondContact CD1-O 3.36Å; I319-L378 PolarHBondContact N-O 3.02Å; I319-L378 PolarHBondContact O-N 3.47Å; I319-L380 HydrophobicContact CD1-CB 4.02Å; I319-L380 HydrophobicContact CD1-CD1 3.75Å; I319-L380 HydrophobicContact CD1-CG 3.62Å
320F97Very high93Very high0 Ų051.7 Ų51.70%027%0.267CS..EExtended strand (participates in β ladder)trans-113.8112177.9-62.6-97.7000109L229 L237 E287 A288 N289 I318 T375 V377 Y403L229-F320 HydrophobicContact CD1-CD1 4.06Å; L229-F320 HydrophobicContact CD1-CD2 3.78Å; L229-F320 HydrophobicContact CD1-CE1 3.97Å; L229-F320 HydrophobicContact CD1-CE2 3.69Å; L229-F320 HydrophobicContact CD1-CG 3.98Å; L229-F320 HydrophobicContact CD1-CZ 3.79Å; L229-F320 HydrophobicContact CD2-CB 4.43Å; L229-F320 HydrophobicContact CD2-CD1 3.89Å; L229-F320 HydrophobicContact CD2-CE1 4.37Å; L229-F320 HydrophobicContact CD2-CG 4.07Å; L237-F320 HydrophobicContact CD1-CE2 3.96Å; L237-F320 HydrophobicContact CD1-CZ 3.85Å; L237-F320 HydrophobicContact CD2-CE2 4.44Å; L237-F320 HydrophobicContact CD2-CZ 4.05Å; L237-F320 HydrophobicContact CG-CZ 4.47Å; E287-F320 HydrophobicContact CG-CD2 3.95Å; E287-F320 HydrophobicContact CG-CE2 3.72Å; A288-F320 PolarHBondContact O-N 2.94Å; N289-F320 HydrophobicContact CB-CB 4.27Å; I318-F320 HydrophobicContact CB-CE2 4.31Å; I318-F320 HydrophobicContact CG2-CE2 3.63Å; I318-F320 HydrophobicContact CG2-CZ 3.84Å; F320-T375 HydrophobicContact CB-CG2 4.16Å; F320-T375 HydrophobicContact CD1-CG2 4.22Å; F320-V377 HydrophobicContact CD1-CB 4.38Å; F320-V377 HydrophobicContact CD1-CG1 4.1Å; F320-V377 HydrophobicContact CD1-CG2 3.58Å; F320-V377 HydrophobicContact CE1-CB 4.21Å; F320-V377 HydrophobicContact CE1-CG1 3.59Å; F320-V377 HydrophobicContact CE1-CG2 3.56Å; F320-V377 HydrophobicContact CE2-CG1 4.39Å; F320-V377 HydrophobicContact CZ-CG1 3.76Å; F320-Y403 WeakPolarHBondContact CD1-OH 3.33Å; F320-Y403 WeakPolarHBondContact CE1-OH 3.37Å
321V94.1Very high92.9Very high0 Ų043.3 Ų43.30%024%0.236CC..EExtended strand (participates in β ladder)trans-133.8148.5178.8-68.70000110.9P290 M297 I319 E323 L332 M335 T375 A376 L378P290-V321 HydrophobicContact CG-CG1 3.93Å; M297-V321 HydrophobicContact CE-CB 3.91Å; M297-V321 HydrophobicContact CE-CG1 3.46Å; M297-V321 VanDerWaalsContact CE-CG1 3.46Å; I319-V321 HydrophobicContact CG2-CG1 3.88Å; V321-E323 PolarHBondContact O-N 3.45Å; V321-L332 HydrophobicContact CG2-CD1 4.06Å; V321-M335 HydrophobicContact CG1-CE 4.2Å; V321-M335 HydrophobicContact CG2-CE 3.88Å; V321-T375 CarbonylContact O-C 3.54Å; V321-T375 WeakPolarHBondContact O-CA 3.24Å; V321-A376 HydrophobicContact CG2-CB 4.23Å; V321-A376 PolarHBondContact N-O 2.9Å; V321-A376 PolarHBondContact O-N 3.31Å; V321-L378 HydrophobicContact CG2-CD1 3.9Å
322P89.9Confident92.7Very high11 Ų1142.8 Ų42.87%0.07123%0.232CC..EExtended strand (participates in β ladder)trans-57.7137173.2-22.933.5000110.8F292 W324F292-P322 HydrophobicContact CD1-CG 3.72Å; F292-P322 HydrophobicContact CD2-CG 4.36Å; F292-P322 HydrophobicContact CE1-CG 3.22Å; F292-P322 HydrophobicContact CE2-CG 3.91Å; F292-P322 HydrophobicContact CG-CG 4.29Å; F292-P322 HydrophobicContact CZ-CG 3.32Å; P322-W324 HydrophobicContact CB-CD2 3.88Å; P322-W324 HydrophobicContact CB-CG 3.96Å; P322-W324 HydrophobicContact CB-CZ2 4.18Å; P322-W324 HydrophobicContact CG-CD2 4.49Å; P322-W324 HydrophobicContact CG-CZ2 4.15Å; P322-W324 PolarHBondContact O-N 3.33Å
323E89Confident92.6Very high55 Ų5540.9 Ų40.926%0.25722%0.216SC..  trans-77.859.1173.5-164.3-176.6-167.500110.4V321 R325 N346 G374V321-E323 PolarHBondContact O-N 3.45Å; E323-R325 HydrophobicContact CG-CG 4.15Å; E323-R325 PolarHBondContact O-N 3.28Å; E323-R325 IonicContact OE1-CZ 2.8Å; E323-R325 IonicContact OE1-NE 3.88Å; E323-R325 PolarHBondContact OE1-NE 3.04Å; E323-R325 IonicContact OE1-NH2 2.72Å; E323-R325 PolarHBondContact OE1-NH2 2.87Å; E323-N346 PolarHBondContact OE1-ND2 3.11Å; E323-G374 PolarHBondContact N-O 3.02Å
324W84.9Confident92.5Very high81 Ų8139.9 Ų39.931%0.30721%0.208SC..  trans-77.3108.4172.3-65.5-17.1000108.6F292 P322 V328 T329 H373F292-W324 HydrophobicContact CB-CH2 3.68Å; F292-W324 HydrophobicContact CB-CZ3 4.02Å; F292-W324 AromaticContact CD2-CH2 3.65Å; F292-W324 HydrophobicContact CD2-CH2 3.65Å; F292-W324 AromaticContact CD2-CZ2 3.96Å; F292-W324 HydrophobicContact CD2-CZ2 3.96Å; F292-W324 HydrophobicContact CE2-CH2 4.47Å; F292-W324 HydrophobicContact CE2-CZ2 4.37Å; F292-W324 AromaticContact CG-CH2 3.74Å; F292-W324 HydrophobicContact CG-CH2 3.74Å; F292-W324 HydrophobicContact CG-CZ2 4.38Å; F292-W324 HydrophobicContact CG-CZ3 4.36Å; P322-W324 HydrophobicContact CB-CD2 3.88Å; P322-W324 HydrophobicContact CB-CG 3.96Å; P322-W324 HydrophobicContact CB-CZ2 4.18Å; P322-W324 HydrophobicContact CG-CD2 4.49Å; P322-W324 HydrophobicContact CG-CZ2 4.15Å; P322-W324 PolarHBondContact O-N 3.33Å; W324-V328 WeakPolarHBondContact O-CA 3.44Å; W324-T329 HydrophobicContact CB-CG2 4.41Å; W324-T329 HydrophobicContact CE3-CG2 4.17Å; W324-H373 AromaticContact CD1-CG 3.97Å; W324-H373 AromaticContact NE1-CD2 3.39Å; W324-H373 PolarHBondContact NE1-CD2 3.3Å; W324-H373 AromaticContact NE1-CE1 3.94Å; W324-H373 AromaticContact NE1-CG 3.52Å; W324-H373 AromaticContact NE1-ND1 3.87Å; W324-H373 AromaticContact NE1-NE2 3.69Å
325R83.5Confident92.5Very high115 Ų11538.3 Ų38.343%0.43420%0.198SC..BIsolated β-bridgetrans-111.6-4.2177.8-66.5-171.4-178.4-79.8-3.6114E323 P327 V328 E336E323-R325 HydrophobicContact CG-CG 4.15Å; E323-R325 PolarHBondContact O-N 3.28Å; E323-R325 IonicContact OE1-CZ 2.8Å; E323-R325 IonicContact OE1-NE 3.88Å; E323-R325 PolarHBondContact OE1-NE 3.04Å; E323-R325 IonicContact OE1-NH2 2.72Å; E323-R325 PolarHBondContact OE1-NH2 2.87Å; R325-P327 CarbonylContact O-C 3.56Å; R325-V328 VanDerWaalsContact C-N 3.28Å; R325-V328 PolarHBondContact O-N 3.42Å; R325-V328 VanDerWaalsContact O-N 3.11Å; R325-E336 IonicContact CZ-OE1 3.32Å; R325-E336 IonicContact NH1-OE1 3.39Å; R325-E336 PolarHBondContact NH1-OE1 3.09Å; R325-E336 IonicContact NH1-OE2 3.69Å; R325-E336 IonicContact NH2-OE1 3.04Å; R325-E336 PolarHBondContact NH2-OE1 3.26Å
326D80.3Confident92.4Very high164 Ų16441 Ų4188%0.87721%0.211SC*.THydrogen-bonded Turntrans-12884.1179.2-169.19.1000111.5
327P82.5Confident92.3Very high106 Ų10644.9 Ų44.969%0.68824%0.243SC*.THydrogen-bonded Turncis-79.8158.4-9.333.7-34.4000112.3R325 T329R325-P327 CarbonylContact O-C 3.56Å; P327-T329 PolarHBondContact O-N 3.33Å
328V87.3Confident92.3Very high59 Ų5945.3 Ų45.336%0.35825%0.246SC..BIsolated β-bridgetrans-66.1132.1173.168.70000110.9W324 R325 L332W324-V328 WeakPolarHBondContact O-CA 3.44Å; R325-V328 VanDerWaalsContact C-N 3.28Å; R325-V328 PolarHBondContact O-N 3.42Å; R325-V328 VanDerWaalsContact O-N 3.11Å; V328-L332 HydrophobicContact CG2-CB 4.42Å; V328-L332 HydrophobicContact CG2-CD2 4.19Å; V328-L332 HydrophobicContact CG2-CG 4.47Å
329T88.2Confident92.3Very high7 Ų753.4 Ų53.44%0.04328%0.277CS..PPolyproline II helixtrans-71.6140.4177.466.90000110.6E294 W324 P327 A331 L332 T333E294-T329 HydrophobicContact CG-CG2 4.25Å; W324-T329 HydrophobicContact CB-CG2 4.41Å; W324-T329 HydrophobicContact CE3-CG2 4.17Å; P327-T329 PolarHBondContact O-N 3.33Å; T329-A331 PolarHBondContact O-N 3.37Å; T329-L332 PolarHBondContact O-N 2.87Å; T329-L332 VanDerWaalsContact O-N 3.14Å; T329-L332 WeakPolarHBondContact OG1-CB 3.19Å; T329-L332 PolarHBondContact OG1-N 3.17Å; T329-T333 PolarHBondContact O-N 3.4Å; T329-T333 PolarHBondContact O-OG1 3.4Å
330P92Very high92.3Very high69 Ų6954.2 Ų54.245%0.44828%0.28SS..Hα-helixtrans-55.4-37.8177.3-27.535.2000113.2L332 T333 R334P330-L332 PolarHBondContact O-N 3.26Å; P330-T333 PolarHBondContact O-N 2.85Å; P330-R334 WeakPolarHBondContact O-CB 3.4Å; P330-R334 WeakPolarHBondContact O-CG 3.49Å; P330-R334 PolarHBondContact O-N 3.35Å
331A93.9Very high92.4Very high2 Ų256.3 Ų56.32%0.01729%0.291CS..Hα-helixtrans-62.1-43.1178.400000112.5M297 V301 T329 R334 M335M297-A331 HydrophobicContact CB-CB 3.56Å; M297-A331 HydrophobicContact CE-CB 4.19Å; V301-A331 HydrophobicContact CG2-CB 4.21Å; T329-A331 PolarHBondContact O-N 3.37Å; A331-R334 PolarHBondContact O-N 3.13Å; A331-M335 WeakPolarHBondContact O-CG 3.35Å; A331-M335 PolarHBondContact O-N 3.25Å
332L94.3Very high92.6Very high0 Ų059.8 Ų59.80%030%0.304CS..Hα-helixtrans-62.4-48.9176.6179.757.8000110.8V321 V328 T329 P330 R334 M335 E336 A376 L378V321-L332 HydrophobicContact CG2-CD1 4.06Å; V328-L332 HydrophobicContact CG2-CB 4.42Å; V328-L332 HydrophobicContact CG2-CD2 4.19Å; V328-L332 HydrophobicContact CG2-CG 4.47Å; T329-L332 PolarHBondContact O-N 2.87Å; T329-L332 VanDerWaalsContact O-N 3.14Å; T329-L332 WeakPolarHBondContact OG1-CB 3.19Å; T329-L332 PolarHBondContact OG1-N 3.17Å; P330-L332 PolarHBondContact O-N 3.26Å; L332-R334 VanDerWaalsContact C-N 3.29Å; L332-R334 PolarHBondContact O-N 3.04Å; L332-M335 PolarHBondContact O-N 3.44Å; L332-E336 HydrophobicContact CD1-CG 4.19Å; L332-E336 HydrophobicContact CG-CG 4.49Å; L332-E336 WeakPolarHBondContact O-CG 3.34Å; L332-E336 PolarHBondContact O-N 2.75Å; L332-A376 HydrophobicContact CD1-CB 4.08Å; L332-L378 HydrophobicContact CD1-CD1 4.09Å; L332-L378 HydrophobicContact CD1-CD2 4.32Å
333T95.8Very high93Very high64 Ų6462.5 Ų62.539%0.39332%0.316SS..Hα-helixtrans-56.8-42.9177.2-55.40000112T329 P330 E336 A337T329-T333 PolarHBondContact O-N 3.4Å; T329-T333 PolarHBondContact O-OG1 3.4Å; P330-T333 PolarHBondContact O-N 2.85Å; T333-E336 PolarHBondContact O-N 3.47Å; T333-A337 WeakPolarHBondContact O-CB 3.44Å; T333-A337 PolarHBondContact O-N 3.44Å; T333-A337 VanDerWaalsContact O-N 3.08Å
334R97.3Very high93.4Very high71 Ų7162.6 Ų62.627%0.26832%0.317SS..Hα-helixtrans-64.9-42178.2-75.2-17962.2-158-5.1112.4D298 V301 T302 E305 P330 A331 L332 A337 S338D298-R334 PolarHBondContact O-NH1 3.34Å; D298-R334 WeakPolarHBondContact OD1-CD 3.45Å; D298-R334 IonicContact OD1-CZ 3.05Å; D298-R334 IonicContact OD1-NE 3.53Å; D298-R334 IonicContact OD1-NH1 2.6Å; D298-R334 PolarHBondContact OD1-NH1 3.37Å; D298-R334 IonicContact OD2-NH1 3.57Å; D298-R334 PolarHBondContact OD2-NH1 3.14Å; V301-R334 HydrophobicContact CG1-CB 3.97Å; T302-R334 PolarHBondContact OG1-NH1 3.36Å; T302-R334 VanDerWaalsContact OG1-NH1 3.08Å; T302-R334 PolarHBondContact OG1-NH2 3.26Å; E305-R334 IonicContact OE2-NH2 2.97Å; P330-R334 WeakPolarHBondContact O-CB 3.4Å; P330-R334 WeakPolarHBondContact O-CG 3.49Å; P330-R334 PolarHBondContact O-N 3.35Å; A331-R334 PolarHBondContact O-N 3.13Å; L332-R334 VanDerWaalsContact C-N 3.29Å; L332-R334 PolarHBondContact O-N 3.04Å; R334-A337 CarbonylContact O-C 3.59Å; R334-A337 PolarHBondContact O-N 2.93Å; R334-S338 PolarHBondContact O-N 3Å
335M97.4Very high93.9Very high0 Ų060.3 Ų60.30%031%0.31CS..Hα-helixtrans-67.3-39.2177.1-67.1-176.3-70.900112.2M300 V301 I319 V321 A331 L332 A337 S338 L378 L380M300-M335 HydrophobicContact CE-SD 4.22Å; V301-M335 HydrophobicContact CB-CG 4.38Å; V301-M335 HydrophobicContact CG1-CG 4.04Å; V301-M335 HydrophobicContact CG2-CE 4.44Å; V301-M335 HydrophobicContact CG2-CG 3.38Å; V301-M335 HydrophobicContact CG2-SD 3.83Å; I319-M335 HydrophobicContact CB-SD 4.24Å; I319-M335 HydrophobicContact CG1-SD 4.34Å; I319-M335 HydrophobicContact CG2-CE 4.36Å; I319-M335 HydrophobicContact CG2-SD 3.86Å; V321-M335 HydrophobicContact CG1-CE 4.2Å; V321-M335 HydrophobicContact CG2-CE 3.88Å; A331-M335 WeakPolarHBondContact O-CG 3.35Å; A331-M335 PolarHBondContact O-N 3.25Å; L332-M335 PolarHBondContact O-N 3.44Å; M335-A337 PolarHBondContact O-N 3.3Å; M335-S338 WeakPolarHBondContact O-CB 3.39Å; M335-S338 PolarHBondContact O-N 3.44Å; M335-L378 HydrophobicContact CB-CD2 3.76Å; M335-L378 HydrophobicContact CE-CD1 4.2Å; M335-L380 HydrophobicContact CG-CD1 4.26Å
336E97.1Very high94.5Very high56 Ų5658 Ų5826%0.26231%0.306SS..Hα-helixtrans-61.8-31.8174.7-71-177.6156.600111.9R325 L332 T333 L341 Q344 L378R325-E336 IonicContact CZ-OE1 3.32Å; R325-E336 IonicContact NH1-OE1 3.39Å; R325-E336 PolarHBondContact NH1-OE1 3.09Å; R325-E336 IonicContact NH1-OE2 3.69Å; R325-E336 IonicContact NH2-OE1 3.04Å; R325-E336 PolarHBondContact NH2-OE1 3.26Å; L332-E336 HydrophobicContact CD1-CG 4.19Å; L332-E336 HydrophobicContact CG-CG 4.49Å; L332-E336 WeakPolarHBondContact O-CG 3.34Å; L332-E336 PolarHBondContact O-N 2.75Å; T333-E336 PolarHBondContact O-N 3.47Å; E336-L341 WeakPolarHBondContact O-CD2 3.43Å; E336-Q344 PolarHBondContact OE1-NE2 2.98Å; E336-L378 HydrophobicContact CG-CD2 4.09Å
337A97.9Very high95.1Very high83 Ų8350.7 Ų50.769%0.68627%0.268SS*.THydrogen-bonded Turntrans-90.8-4.1177.700000114.4T333 R334 M335 R339T333-A337 WeakPolarHBondContact O-CB 3.44Å; T333-A337 PolarHBondContact O-N 3.44Å; T333-A337 VanDerWaalsContact O-N 3.08Å; R334-A337 CarbonylContact O-C 3.59Å; R334-A337 PolarHBondContact O-N 2.93Å; M335-A337 PolarHBondContact O-N 3.3Å; A337-R339 PolarHBondContact O-N 2.86Å
338S98.5Very high95.6Very high9 Ų948.4 Ų48.46%0.06325%0.253CS..  trans-68.1134.4-174.4-170.40000111.3E305 R334 M335 F340 L341E305-S338 VanDerWaalsContact OE1-CB 3.27Å; E305-S338 WeakPolarHBondContact OE1-CB 3.39Å; E305-S338 PolarHBondContact OE1-OG 3.1Å; R334-S338 PolarHBondContact O-N 3Å; M335-S338 WeakPolarHBondContact O-CB 3.39Å; M335-S338 PolarHBondContact O-N 3.44Å; S338-F340 PolarHBondContact O-N 3.46Å; S338-F340 VanDerWaalsContact O-N 3.1Å; S338-L341 VanDerWaalsContact O-CB 3.24Å; S338-L341 WeakPolarHBondContact O-CB 3.45Å; S338-L341 PolarHBondContact O-N 3.13Å
339R98.4Very high95.8Very high169 Ų16947.3 Ų47.364%0.63825%0.25SC*.THydrogen-bonded Turntrans-63.1-16.9175.269.2177.6176.7-168.3-6.8113.6D309 A337 L341D309-R339 IonicContact OD1-CZ 3.63Å; D309-R339 IonicContact OD1-NH2 3.88Å; D309-R339 PolarHBondContact OD1-NH2 3.11Å; D309-R339 IonicContact OD2-NH2 3.72Å; A337-R339 PolarHBondContact O-N 2.86Å; R339-L341 VanDerWaalsContact C-N 3.35Å
340F98.8Very high96Very high17 Ų1753.6 Ų53.68%0.07527%0.274CS..THydrogen-bonded Turntrans-88.1-4.9177.7-61.4-68.1000112.9E305 L308 D309 S338 R342 L380 Q381 N382E305-F340 HydrophobicContact CB-CE2 4.45Å; E305-F340 HydrophobicContact CG-CD2 4.36Å; L308-F340 HydrophobicContact CB-CD1 3.95Å; L308-F340 HydrophobicContact CB-CD2 3.9Å; L308-F340 HydrophobicContact CB-CE1 3.89Å; L308-F340 HydrophobicContact CB-CE2 3.83Å; L308-F340 HydrophobicContact CB-CG 3.96Å; L308-F340 HydrophobicContact CB-CZ 3.82Å; L308-F340 HydrophobicContact CD1-CB 3.79Å; L308-F340 HydrophobicContact CD1-CD1 4.47Å; L308-F340 HydrophobicContact CD1-CD2 3.98Å; L308-F340 HydrophobicContact CD1-CG 3.84Å; L308-F340 HydrophobicContact CG-CG 4.5Å; D309-F340 HydrophobicContact CB-CE2 4.41Å; D309-F340 HydrophobicContact CB-CZ 3.98Å; S338-F340 PolarHBondContact O-N 3.46Å; S338-F340 VanDerWaalsContact O-N 3.1Å; F340-R342 WeakPolarHBondContact O-CG 3.3Å; F340-R342 PolarHBondContact O-N 2.98Å; F340-L380 HydrophobicContact CB-CB 4.45Å; F340-L380 WeakPolarHBondContact O-CA 3.47Å; F340-Q381 PolarHBondContact O-N 3.5Å; F340-N382 HydrophobicContact CE1-CB 4.48Å
341L98.8Very high95.9Very high45 Ų4556.7 Ų56.724%0.23628%0.282CS..EExtended strand (participates in β ladder)trans-66.3120.1177.4-174.968.4000110.7E336 S338 R339 H343 L378 L380E336-L341 WeakPolarHBondContact O-CD2 3.43Å; S338-L341 VanDerWaalsContact O-CB 3.24Å; S338-L341 WeakPolarHBondContact O-CB 3.45Å; S338-L341 PolarHBondContact O-N 3.13Å; R339-L341 VanDerWaalsContact C-N 3.35Å; L341-H343 WeakPolarHBondContact CD1-O 3.49Å; L341-L378 HydrophobicContact CD1-CB 4.02Å; L341-L378 HydrophobicContact CD1-CD2 4.13Å; L341-L380 HydrophobicContact CB-CD2 3.87Å; L341-L380 HydrophobicContact CD1-CD2 3.83Å; L341-L380 HydrophobicContact CG-CD2 4.49Å
342R98.7Very high95.8Very high73 Ų7356.7 Ų56.728%0.27528%0.282SS..EExtended strand (participates in β ladder)trans-105.8-29.1179.1-53.9-52.4179.1161.35.8112.9F340 F379 Q381 D383 F386 P391F340-R342 WeakPolarHBondContact O-CG 3.3Å; F340-R342 PolarHBondContact O-N 2.98Å; R342-F379 PolarHBondContact N-O 3.42Å; R342-Q381 HydrophobicContact CG-CB 3.87Å; R342-Q381 HydrophobicContact CG-CG 4.22Å; R342-Q381 PolarHBondContact NE-O 2.94Å; R342-Q381 PolarHBondContact NH2-O 3.34Å; R342-D383 IonicContact CZ-OD1 3.01Å; R342-D383 IonicContact NH1-OD1 2.74Å; R342-D383 IonicContact NH2-OD1 3.78Å; R342-D383 PolarHBondContact NH2-OD1 3.13Å; R342-F386 HydrophobicContact CB-CD2 3.76Å; R342-F386 HydrophobicContact CB-CE2 3.93Å; R342-F386 HydrophobicContact CG-CB 4.31Å; R342-F386 HydrophobicContact CG-CD2 3.56Å; R342-F386 HydrophobicContact CG-CE2 4.17Å; R342-F386 HydrophobicContact CG-CG 4.15Å; R342-P391 HydrophobicContact CB-CG 4.06Å
343H98.6Very high95.8Very high67 Ų6758.7 Ų58.731%0.3129%0.291SS..EExtended strand (participates in β ladder)trans-161.3153.9175.9-16572.6000110.9L341 F379 P391 L396L341-H343 WeakPolarHBondContact CD1-O 3.49Å; H343-F379 HydrophobicContact CB-CB 4.34Å; H343-F379 HydrophobicContact CB-CD2 4.02Å; H343-F379 HydrophobicContact CB-CG 4.36Å; H343-F379 PolarHBondContact O-N 3.03Å; H343-P391 HydrophobicContact CB-CB 3.75Å; H343-P391 HydrophobicContact CB-CG 3.5Å; H343-P391 VanDerWaalsContact CB-CG 3.5Å; H343-L396 VanDerWaalsContact NE2-CD1 3.35Å; H343-L396 WeakPolarHBondContact NE2-CD1 3.37Å
344Q97.8Very high95.7Very high58 Ų5856.3 Ų56.327%0.27128%0.275SS..EExtended strand (participates in β ladder)trans-132.3127.4169.9177.7176.70.400108.9E336 V377 L378E336-Q344 PolarHBondContact OE1-NE2 2.98Å; Q344-V377 WeakPolarHBondContact CA-O 3.48Å; Q344-L378 HydrophobicContact CG-CD2 4.46Å; Q344-L378 HydrophobicContact CG-CG 4.33Å
345L95.2Very high95.4Very high32 Ų3254 Ų5417%0.16827%0.266CS..EExtended strand (participates in β ladder)trans-116.3137.317417175.5000108.3V347 V377L345-V347 HydrophobicContact CD2-CG2 4.38Å; L345-V377 HydrophobicContact CB-CB 4.21Å; L345-V377 PolarHBondContact N-O 3.21Å; L345-V377 PolarHBondContact O-N 3.02Å
346N94.8Very high95.1Very high67 Ų6755.1 Ų55.136%0.35827%0.274SS..EExtended strand (participates in β ladder)trans-109.3124.5172-66.3-21.6000109.4E323E323-N346 PolarHBondContact OE1-ND2 3.11Å
347V93.4Very high94.5Very high11 Ų1153 Ų537%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-95.9114.7173.1-167.70000107.7L345 H352 G374 T375 V377 Y403L345-V347 HydrophobicContact CD2-CG2 4.38Å; V347-H352 HydrophobicContact CG1-CB 3.57Å; V347-H352 WeakPolarHBondContact CG1-ND1 3.32Å; V347-H352 PolarHBondContact O-CE1 2.92Å; V347-G374 CarbonylContact O-C 3.45Å; V347-G374 VanDerWaalsContact O-CA 3.24Å; V347-G374 WeakPolarHBondContact O-CA 3.48Å; V347-T375 PolarHBondContact N-O 3.36Å; V347-T375 PolarHBondContact O-N 3.01Å; V347-V377 HydrophobicContact CG2-CG2 4Å; V347-Y403 HydrophobicContact CG1-CD1 4.15Å; V347-Y403 HydrophobicContact CG1-CD2 4.36Å; V347-Y403 HydrophobicContact CG1-CE1 4.37Å; V347-Y403 HydrophobicContact CG1-CG 4.12Å; V347-Y403 HydrophobicContact CG2-CD2 4.14Å; V347-Y403 HydrophobicContact CG2-CE2 3.77Å
348P92.8Very high94.1Very high58 Ų5851.5 Ų51.538%0.37725%0.252SS..  trans-62151.2-170.1-25.335000113.9E351 H352P348-E351 HydrophobicContact CB-CB 4.16Å; P348-E351 HydrophobicContact CB-CG 4.02Å; P348-E351 WeakPolarHBondContact CG-OE2 3.41Å; P348-E351 PolarHBondContact O-N 3.28Å; P348-H352 PolarHBondContact O-CE1 2.92Å; P348-H352 PolarHBondContact O-ND1 3.28Å
349A92.9Very high93.8Very high35 Ų3551.3 Ų51.329%0.28925%0.25SC..THydrogen-bonded Turntrans-55.6141.3171.700000110.2E351A349-E351 PolarHBondContact O-N 3.2Å; A349-E351 VanDerWaalsContact O-N 3.1Å
350Y91.2Very high93.5Very high140 Ų14044 Ų4455%0.54922%0.223SC..THydrogen-bonded Turntrans64.72-179.3-50.3-76.4000116.6R370 A371 V372Y350-R370 HydrophobicContact CD1-CG 4.34Å; Y350-R370 VanDerWaalsContact O-CD 3.25Å; Y350-R370 WeakPolarHBondContact O-CD 3.37Å; Y350-A371 WeakPolarHBondContact CA-O 3.28Å; Y350-A371 PolarHBondContact N-O 3.4Å; Y350-V372 HydrophobicContact CE1-CB 4Å; Y350-V372 HydrophobicContact CE1-CG1 3.91Å
351E90.9Very high93.2Very high133 Ų13347.9 Ų47.962%0.62124%0.243SC*.SBendtrans-104.51.3178.5-64.9-172.3-167.400113.7P348 A349P348-E351 HydrophobicContact CB-CB 4.16Å; P348-E351 HydrophobicContact CB-CG 4.02Å; P348-E351 WeakPolarHBondContact CG-OE2 3.41Å; P348-E351 PolarHBondContact O-N 3.28Å; A349-E351 PolarHBondContact O-N 3.2Å; A349-E351 VanDerWaalsContact O-N 3.1Å
352H92.1Very high92.7Very high3 Ų347 Ų471%0.01424%0.24CC..  trans-141.5164.6177.665.3-74.4000113V347 P348 Y354 A371 H373 T375 Y403V347-H352 HydrophobicContact CG1-CB 3.57Å; V347-H352 WeakPolarHBondContact CG1-ND1 3.32Å; V347-H352 PolarHBondContact O-CE1 2.92Å; P348-H352 PolarHBondContact O-CE1 2.92Å; P348-H352 PolarHBondContact O-ND1 3.28Å; H352-Y354 AromaticContact CD2-CE2 3.81Å; H352-Y354 AromaticContact NE2-CE2 3.6Å; H352-A371 WeakPolarHBondContact CE1-CB 3.47Å; H352-A371 WeakPolarHBondContact NE2-CB 3.28Å; H352-A371 PolarHBondContact O-N 2.87Å; H352-H373 PolarHBondContact CE1-O 2.97Å; H352-T375 PolarHBondContact CE1-OG1 3.16Å; H352-T375 PolarHBondContact NE2-OG1 3.08Å; H352-Y403 HydrophobicContact CB-CD1 3.56Å; H352-Y403 HydrophobicContact CB-CE1 4.08Å; H352-Y403 HydrophobicContact CB-CG 4.36Å
353E93Very high92.1Very high41 Ų4150.9 Ų50.919%0.19226%0.259CS..EExtended strand (participates in β ladder)trans-116.8149.9179.4-58.9-173.6147.600110.7P230 Y369 R409P230-E353 WeakPolarHBondContact CD-O 3.47Å; P230-E353 WeakPolarHBondContact CG-O 3.39Å; E353-Y369 CarbonylContact C-O 3.37Å; E353-Y369 VanDerWaalsContact CA-O 3.3Å; E353-Y369 WeakPolarHBondContact CA-O 3.42Å; E353-R409 IonicContact OE2-NH2 2.98Å; E353-R409 PolarHBondContact OE2-NH2 2.88Å
354Y93.1Very high91.5Very high14 Ų1457.7 Ų57.76%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-109.7156.7160.1-82.9-94.5000109.2A228 L229 H352 Y368 Y369 A371 T375A228-Y354 WeakPolarHBondContact O-CD1 2.86Å; L229-Y354 HydrophobicContact CD2-CD1 4.37Å; L229-Y354 HydrophobicContact CD2-CE1 3.75Å; H352-Y354 AromaticContact CD2-CE2 3.81Å; H352-Y354 AromaticContact NE2-CE2 3.6Å; Y354-Y368 WeakPolarHBondContact O-CA 3.27Å; Y354-Y369 WeakPolarHBondContact CB-OH 3.35Å; Y354-Y369 PolarHBondContact N-O 3.44Å; Y354-Y369 WeakPolarHBondContact O-CD1 3.49Å; Y354-Y369 PolarHBondContact O-N 2.96Å; Y354-A371 HydrophobicContact CD2-CB 3.96Å; Y354-A371 HydrophobicContact CE2-CB 4.12Å; Y354-T375 WeakPolarHBondContact OH-CG2 3.28Å; Y354-T375 PolarHBondContact OH-OG1 3.12Å; Y354-T375 VanDerWaalsContact OH-OG1 3.11Å
355R93Very high91.1Very high24 Ų2461 Ų619%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-89139.2169.5-156.9173.7169.1173.8-6109.7A228 V231 M367 Y368A228-R355 HydrophobicContact CB-CB 4.26Å; A228-R355 PolarHBondContact N-O 3.48Å; A228-R355 PolarHBondContact O-N 2.89Å; V231-R355 VanDerWaalsContact CG2-NH1 3.25Å; R355-M367 CarbonylContact C-O 3.52Å; R355-M367 VanDerWaalsContact CA-O 3.31Å; R355-M367 WeakPolarHBondContact CA-O 3.32Å; R355-M367 HydrophobicContact CG-CG 4.05Å; R355-M367 WeakPolarHBondContact CG-O 3.32Å; R355-M367 HydrophobicContact CG-SD 3.98Å; R355-M367 PolarHBondContact NE-SD 3.19Å; R355-Y368 HydrophobicContact CB-CD1 4.33Å; R355-Y368 HydrophobicContact CB-CE1 4.17Å; R355-Y368 HydrophobicContact CG-CD1 4.34Å; R355-Y368 HydrophobicContact CG-CE1 4.01Å
356S90.1Very high90.8Very high22 Ų2264 Ų6415%0.15432%0.318CS..  trans-60.8133.4-175.7-179.20000112S358 Q359 D366 M367S356-S358 PolarHBondContact O-N 2.87Å; S356-S358 PolarHBondContact OG-N 2.99Å; S356-Q359 WeakPolarHBondContact O-CB 3.35Å; S356-Q359 WeakPolarHBondContact O-CG 3.38Å; S356-Q359 PolarHBondContact O-N 3.43Å; S356-D366 WeakPolarHBondContact CB-O 3.3Å; S356-M367 PolarHBondContact N-O 3.47Å
357G85.1Confident90.6Very high13 Ų1362 Ų6213%0.13431%0.307CS..THydrogen-bonded Turntrans-63.1-23171.600000113Q226 Q359Q226-G357 WeakPolarHBondContact O-CA 3.32Å; G357-Q359 VanDerWaalsContact C-N 3.28Å; G357-Q359 PolarHBondContact O-N 3.49Å
358S89.5Confident90.5Very high50 Ų5063.9 Ų63.935%0.3531%0.313SS..THydrogen-bonded Turntrans-90.219.7174.4-59.80000113S356 H360 I361 C362S356-S358 PolarHBondContact O-N 2.87Å; S356-S358 PolarHBondContact OG-N 2.99Å; S358-H360 PolarHBondContact O-N 3.4Å; S358-I361 WeakPolarHBondContact O-CG1 3.44Å; S358-I361 PolarHBondContact O-N 2.85Å; S358-C362 WeakPolarHBondContact O-CB 3.26Å; S358-C362 PolarHBondContact O-N 2.86Å
359Q91.6Very high90.4Very high6 Ų666 Ų663%0.02831%0.314CS..THydrogen-bonded Turntrans-54.1-19.7-179.657.7173.634.600115.5N176 H179 L252 S356 G357 I361 M367N176-Q359 PolarHBondContact ND2-O 3.24Å; H179-Q359 PolarHBondContact CE1-O 3.33Å; H179-Q359 PolarHBondContact ND1-O 3.03Å; H179-Q359 WeakPolarHBondContact NE2-CG 3.3Å; H179-Q359 PolarHBondContact NE2-NE2 3.33Å; L252-Q359 PolarHBondContact O-NE2 3Å; S356-Q359 WeakPolarHBondContact O-CB 3.35Å; S356-Q359 WeakPolarHBondContact O-CG 3.38Å; S356-Q359 PolarHBondContact O-N 3.43Å; G357-Q359 VanDerWaalsContact C-N 3.28Å; G357-Q359 PolarHBondContact O-N 3.49Å; Q359-I361 VanDerWaalsContact C-N 3.29Å; Q359-M367 HydrophobicContact CB-CE 4.28Å; Q359-M367 HydrophobicContact CB-SD 3.5Å; Q359-M367 VanDerWaalsContact CB-SD 3.5Å
360H92.8Very high90.4Very high16 Ų1671.2 Ų71.27%0.07433%0.327CS..THydrogen-bonded Turntrans-76.8-13.117764-79.9000113.4V175 N176 H179 L252 S358V175-H360 CarbonylContact C-O 3.53Å; V175-H360 WeakPolarHBondContact CA-O 3.49Å; V175-H360 HydrophobicContact CG2-CB 4.2Å; N176-H360 PolarHBondContact N-O 3.32Å; N176-H360 PolarHBondContact ND2-O 3.12Å; N176-H360 VanDerWaalsContact ND2-O 3.14Å; H179-H360 HydrophobicContact CB-CB 4.12Å; L252-H360 HydrophobicContact CB-CB 4.27Å; L252-H360 HydrophobicContact CD2-CB 4.19Å; S358-H360 PolarHBondContact O-N 3.4Å
361I91.6Very high90.4Very high97 Ų9764.9 Ų64.950%0.49730%0.303SS..THydrogen-bonded Turntrans-136.3-21.3179.753171.3000114.1K174 S358 Q359K174-I361 WeakPolarHBondContact O-CG2 3.34Å; S358-I361 WeakPolarHBondContact O-CG1 3.44Å; S358-I361 PolarHBondContact O-N 2.85Å; Q359-I361 VanDerWaalsContact C-N 3.29Å
362C88.1Confident90.3Very high26 Ų2662.4 Ų62.418%0.17630%0.297CS..SBendtrans-71159.5-175.779.60000112S358 D366S358-C362 WeakPolarHBondContact O-CB 3.26Å; S358-C362 PolarHBondContact O-N 2.86Å; C362-D366 HydrophobicContact CB-CB 4.15Å
363K87.5Confident90.2Very high155 Ų15566.8 Ų66.867%0.67432%0.317SS*.  trans-70.8163173.9-63.2178.3-178.6176.60110D365 D366 M367K363-D365 PolarHBondContact O-N 2.81Å; K363-D366 PolarHBondContact O-N 3.29Å; K363-D366 VanDerWaalsContact O-N 3.14Å; K363-M367 PolarHBondContact O-N 2.89Å
364R85.4Confident90.2Very high210 Ų21065.2 Ų65.279%0.79231%0.312SS*.G310 helixtrans-57.8-38.7178.4-170.4-175.768.3-175.40.8112.4D366 M367R364-D366 PolarHBondContact O-N 3.33Å; R364-M367 WeakPolarHBondContact O-CB 3.31Å; R364-M367 PolarHBondContact O-N 2.95Å
365D89.3Confident90.3Very high129 Ų12964.7 Ų64.769%0.6931%0.31SS*.G310 helixtrans-73.1-19.7-176.9-55.1-23.2000112.2K363K363-D365 PolarHBondContact O-N 2.81Å
366D89.7Confident90.4Very high94 Ų9463.6 Ų63.650%0.50331%0.306SS..G310 helixtrans-96.54175.7-53.4-46.2000112.6S356 C362 K363 R364 Y368S356-D366 WeakPolarHBondContact CB-O 3.3Å; C362-D366 HydrophobicContact CB-CB 4.15Å; K363-D366 PolarHBondContact O-N 3.29Å; K363-D366 VanDerWaalsContact O-N 3.14Å; R364-D366 PolarHBondContact O-N 3.33Å; D366-Y368 VanDerWaalsContact C-N 3.31Å; D366-Y368 PolarHBondContact O-N 3.41Å
367M90.1Very high90.8Very high24 Ų2462.5 Ų62.512%0.11830%0.299CS..SBendtrans-66.6-35-174.5-174.96664.200112R355 S356 Q359 K363 R364R355-M367 CarbonylContact C-O 3.52Å; R355-M367 VanDerWaalsContact CA-O 3.31Å; R355-M367 WeakPolarHBondContact CA-O 3.32Å; R355-M367 HydrophobicContact CG-CG 4.05Å; R355-M367 WeakPolarHBondContact CG-O 3.32Å; R355-M367 HydrophobicContact CG-SD 3.98Å; R355-M367 PolarHBondContact NE-SD 3.19Å; S356-M367 PolarHBondContact N-O 3.47Å; Q359-M367 HydrophobicContact CB-CE 4.28Å; Q359-M367 HydrophobicContact CB-SD 3.5Å; Q359-M367 VanDerWaalsContact CB-SD 3.5Å; K363-M367 PolarHBondContact O-N 2.89Å; R364-M367 WeakPolarHBondContact O-CB 3.31Å; R364-M367 PolarHBondContact O-N 2.95Å
368Y91.9Very high91.4Very high52 Ų5261.9 Ų61.920%0.20429%0.292CS..EExtended strand (participates in β ladder)trans-120.7139.2-179.4-65.1-84.9000109.4P230 Y354 R355 D366P230-Y368 HydrophobicContact CB-CE1 4.39Å; Y354-Y368 WeakPolarHBondContact O-CA 3.27Å; R355-Y368 HydrophobicContact CB-CD1 4.33Å; R355-Y368 HydrophobicContact CB-CE1 4.17Å; R355-Y368 HydrophobicContact CG-CD1 4.34Å; R355-Y368 HydrophobicContact CG-CE1 4.01Å; D366-Y368 VanDerWaalsContact C-N 3.31Å; D366-Y368 PolarHBondContact O-N 3.41Å
369Y90.4Very high91.9Very high102 Ų10259.5 Ų59.540%0.428%0.276SS..EExtended strand (participates in β ladder)trans-132.8143.8173.265.6-84.5000109.7E353 Y354E353-Y369 CarbonylContact C-O 3.37Å; E353-Y369 VanDerWaalsContact CA-O 3.3Å; E353-Y369 WeakPolarHBondContact CA-O 3.42Å; Y354-Y369 WeakPolarHBondContact CB-OH 3.35Å; Y354-Y369 PolarHBondContact N-O 3.44Å; Y354-Y369 WeakPolarHBondContact O-CD1 3.49Å; Y354-Y369 PolarHBondContact O-N 2.96Å
370R91.9Very high92.2Very high145 Ų14559.2 Ų59.255%0.54727%0.274SS..EExtended strand (participates in β ladder)trans-72131178.9-174.2167.2-70.5-1713.9109.9Y350 V372Y350-R370 HydrophobicContact CD1-CG 4.34Å; Y350-R370 VanDerWaalsContact O-CD 3.25Å; Y350-R370 WeakPolarHBondContact O-CD 3.37Å; R370-V372 PolarHBondContact O-N 3.41Å
371A90.9Very high92.5Very high6 Ų658.5 Ų58.55%0.0527%0.271CS..  trans-67126.5175.700000110Y350 H352 Y354Y350-A371 WeakPolarHBondContact CA-O 3.28Å; Y350-A371 PolarHBondContact N-O 3.4Å; H352-A371 WeakPolarHBondContact CE1-CB 3.47Å; H352-A371 WeakPolarHBondContact NE2-CB 3.28Å; H352-A371 PolarHBondContact O-N 2.87Å; Y354-A371 HydrophobicContact CD2-CB 3.96Å; Y354-A371 HydrophobicContact CE2-CB 4.12Å
372V90Very high92.9Very high81 Ų8154.2 Ų54.249%0.49125%0.249SC..SBendtrans-86.7-13.4178.9-59.40000112.9Y350 R370Y350-V372 HydrophobicContact CE1-CB 4Å; Y350-V372 HydrophobicContact CE1-CG1 3.91Å; R370-V372 PolarHBondContact O-N 3.41Å
373H89.2Confident93.4Very high96 Ų9658.9 Ų58.944%0.44427%0.272SS..SBendtrans-116.9157.3174.1-61-68000109.4W324 H352W324-H373 AromaticContact CD1-CG 3.97Å; W324-H373 AromaticContact NE1-CD2 3.39Å; W324-H373 PolarHBondContact NE1-CD2 3.3Å; W324-H373 AromaticContact NE1-CE1 3.94Å; W324-H373 AromaticContact NE1-CG 3.52Å; W324-H373 AromaticContact NE1-ND1 3.87Å; W324-H373 AromaticContact NE1-NE2 3.69Å; H352-H373 PolarHBondContact CE1-O 2.97Å
374G92.9Very high93.9Very high8 Ų853.2 Ų53.28%0.08225%0.254CS..  trans-65.4156.6167.100000110.4E323 V347E323-G374 PolarHBondContact N-O 3.02Å; V347-G374 CarbonylContact O-C 3.45Å; V347-G374 VanDerWaalsContact O-CA 3.24Å; V347-G374 WeakPolarHBondContact O-CA 3.48Å
375T94.5Very high94.6Very high3 Ų343.2 Ų43.22%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-117.7120.4174.2-63.30000108.8F320 V321 V347 H352 Y354 V377F320-T375 HydrophobicContact CB-CG2 4.16Å; F320-T375 HydrophobicContact CD1-CG2 4.22Å; V321-T375 CarbonylContact O-C 3.54Å; V321-T375 WeakPolarHBondContact O-CA 3.24Å; V347-T375 PolarHBondContact N-O 3.36Å; V347-T375 PolarHBondContact O-N 3.01Å; H352-T375 PolarHBondContact CE1-OG1 3.16Å; H352-T375 PolarHBondContact NE2-OG1 3.08Å; Y354-T375 WeakPolarHBondContact OH-CG2 3.28Å; Y354-T375 PolarHBondContact OH-OG1 3.12Å; Y354-T375 VanDerWaalsContact OH-OG1 3.11Å; T375-V377 HydrophobicContact CG2-CG2 4.3Å
376A96.1Very high95Very high0 Ų041 Ų410%020%0.201CC..EExtended strand (participates in β ladder)trans-81.8128.4169.200000109V321 L332 L378V321-A376 HydrophobicContact CG2-CB 4.23Å; V321-A376 PolarHBondContact N-O 2.9Å; V321-A376 PolarHBondContact O-N 3.31Å; L332-A376 HydrophobicContact CD1-CB 4.08Å; A376-L378 HydrophobicContact CB-CD1 3.96Å
377V98.1Very high95.4Very high0 Ų039.7 Ų39.70%021%0.21CC..EExtended strand (participates in β ladder)trans-113.9109.9178.1-172.80000108.2I318 I319 F320 Q344 L345 V347 T375 F379I318-V377 HydrophobicContact CG2-CG1 3.79Å; I319-V377 CarbonylContact O-C 3.54Å; I319-V377 VanDerWaalsContact O-CA 3.25Å; I319-V377 WeakPolarHBondContact O-CA 3.43Å; F320-V377 HydrophobicContact CD1-CB 4.38Å; F320-V377 HydrophobicContact CD1-CG1 4.1Å; F320-V377 HydrophobicContact CD1-CG2 3.58Å; F320-V377 HydrophobicContact CE1-CB 4.21Å; F320-V377 HydrophobicContact CE1-CG1 3.59Å; F320-V377 HydrophobicContact CE1-CG2 3.56Å; F320-V377 HydrophobicContact CE2-CG1 4.39Å; F320-V377 HydrophobicContact CZ-CG1 3.76Å; Q344-V377 WeakPolarHBondContact CA-O 3.48Å; L345-V377 HydrophobicContact CB-CB 4.21Å; L345-V377 PolarHBondContact N-O 3.21Å; L345-V377 PolarHBondContact O-N 3.02Å; V347-V377 HydrophobicContact CG2-CG2 4Å; T375-V377 HydrophobicContact CG2-CG2 4.3Å; V377-F379 HydrophobicContact CG1-CE2 3.91Å; V377-F379 HydrophobicContact CG1-CZ 4.4Å
378L98.7Very high95.8Very high0 Ų044.2 Ų44.20%023%0.229CC..EExtended strand (participates in β ladder)trans-112133.6-174.2-56.899.8000110.5I318 I319 V321 L332 M335 E336 L341 Q344 A376I318-L378 WeakPolarHBondContact CA-O 3.34Å; I319-L378 WeakPolarHBondContact CD1-O 3.36Å; I319-L378 PolarHBondContact N-O 3.02Å; I319-L378 PolarHBondContact O-N 3.47Å; V321-L378 HydrophobicContact CG2-CD1 3.9Å; L332-L378 HydrophobicContact CD1-CD1 4.09Å; L332-L378 HydrophobicContact CD1-CD2 4.32Å; M335-L378 HydrophobicContact CB-CD2 3.76Å; M335-L378 HydrophobicContact CE-CD1 4.2Å; E336-L378 HydrophobicContact CG-CD2 4.09Å; L341-L378 HydrophobicContact CD1-CB 4.02Å; L341-L378 HydrophobicContact CD1-CD2 4.13Å; Q344-L378 HydrophobicContact CG-CD2 4.46Å; Q344-L378 HydrophobicContact CG-CG 4.33Å; A376-L378 HydrophobicContact CB-CD1 3.96Å
379F98.8Very high96.2Very high0 Ų043.1 Ų43.10%023%0.225CC..EExtended strand (participates in β ladder)trans-104.7100179.1-67.8-105.8000109.1F241 I318 R342 H343 V377 P391 L396 L399F241-F379 AromaticContact CD1-CE1 3.92Å; F241-F379 HydrophobicContact CD1-CE1 3.92Å; F241-F379 HydrophobicContact CD2-CE1 4.32Å; F241-F379 HydrophobicContact CE1-CD1 4.39Å; F241-F379 AromaticContact CE1-CE1 3.62Å; F241-F379 HydrophobicContact CE1-CE1 3.62Å; F241-F379 HydrophobicContact CE1-CZ 4.37Å; F241-F379 HydrophobicContact CE2-CE1 4.04Å; F241-F379 HydrophobicContact CE2-CZ 4.26Å; F241-F379 HydrophobicContact CG-CE1 4.26Å; F241-F379 AromaticContact CZ-CE1 3.66Å; F241-F379 HydrophobicContact CZ-CE1 3.66Å; F241-F379 AromaticContact CZ-CZ 3.98Å; F241-F379 HydrophobicContact CZ-CZ 3.98Å; I318-F379 HydrophobicContact CD1-CD1 3.89Å; I318-F379 HydrophobicContact CD1-CE1 3.55Å; I318-F379 HydrophobicContact CD1-CZ 4.45Å; I318-F379 HydrophobicContact CG1-CD1 3.76Å; I318-F379 HydrophobicContact CG1-CE1 3.87Å; I318-F379 HydrophobicContact CG2-CD1 4.32Å; I318-F379 HydrophobicContact CG2-CE1 4.03Å; I318-F379 HydrophobicContact CG2-CE2 4.43Å; I318-F379 HydrophobicContact CG2-CZ 4.09Å; R342-F379 PolarHBondContact N-O 3.42Å; H343-F379 HydrophobicContact CB-CB 4.34Å; H343-F379 HydrophobicContact CB-CD2 4.02Å; H343-F379 HydrophobicContact CB-CG 4.36Å; H343-F379 PolarHBondContact O-N 3.03Å; V377-F379 HydrophobicContact CG1-CE2 3.91Å; V377-F379 HydrophobicContact CG1-CZ 4.4Å; F379-P391 HydrophobicContact CB-CG 4.33Å; F379-P391 HydrophobicContact CD1-CB 3.97Å; F379-P391 HydrophobicContact CD1-CG 4.38Å; F379-P391 HydrophobicContact CD2-CB 4.48Å; F379-P391 HydrophobicContact CE1-CB 4.17Å; F379-P391 HydrophobicContact CG-CB 4.14Å; F379-P391 HydrophobicContact CG-CG 4.32Å; F379-L396 HydrophobicContact CE2-CD2 3.88Å; F379-L396 HydrophobicContact CZ-CD2 3.81Å; F379-L399 HydrophobicContact CZ-CD2 3.9Å
380L98.9Very high96.6Very high0 Ų039.2 Ų39.20%021%0.213CC..EExtended strand (participates in β ladder)trans-99.3114.7175.1-58.5-174.7000109.7L308 F317 I319 M335 F340 L341L308-L380 HydrophobicContact CD1-CB 3.88Å; F317-L380 PolarHBondContact N-O 3.48Å; F317-L380 PolarHBondContact O-N 3.33Å; I319-L380 HydrophobicContact CD1-CB 4.02Å; I319-L380 HydrophobicContact CD1-CD1 3.75Å; I319-L380 HydrophobicContact CD1-CG 3.62Å; M335-L380 HydrophobicContact CG-CD1 4.26Å; F340-L380 HydrophobicContact CB-CB 4.45Å; F340-L380 WeakPolarHBondContact O-CA 3.47Å; L341-L380 HydrophobicContact CB-CD2 3.87Å; L341-L380 HydrophobicContact CD1-CD2 3.83Å; L341-L380 HydrophobicContact CG-CD2 4.49Å
381Q98.9Very high96.9Very high0 Ų033 Ų330%019%0.192CC..EExtended strand (participates in β ladder)trans-140.5137-174.6-51179.9-45.200111.2S316 F340 R342 F386 W389S316-Q381 PolarHBondContact OG-NE2 3.22Å; F340-Q381 PolarHBondContact O-N 3.5Å; R342-Q381 HydrophobicContact CG-CB 3.87Å; R342-Q381 HydrophobicContact CG-CG 4.22Å; R342-Q381 PolarHBondContact NE-O 2.94Å; R342-Q381 PolarHBondContact NH2-O 3.34Å; Q381-F386 HydrophobicContact CB-CB 4.18Å; Q381-W389 PolarHBondContact NE2-O 3.01Å
382N98.9Very high97.2Very high7 Ų734.8 Ų34.84%0.03720%0.202CC..  trans-72.2172.2166.271.1-3.9000109.3L308 S311 E313 L315 F340 A384 G385 F386L308-N382 HydrophobicContact CB-CB 4.49Å; L308-N382 HydrophobicContact CD2-CB 4.13Å; S311-N382 PolarHBondContact O-ND2 2.88Å; E313-N382 PolarHBondContact O-ND2 3.15Å; E313-N382 PolarHBondContact O-OD1 2.83Å; L315-N382 PolarHBondContact N-OD1 3.23Å; L315-N382 VanDerWaalsContact N-OD1 3.07Å; L315-N382 PolarHBondContact O-N 3.46Å; L315-N382 PolarHBondContact O-OD1 2.95Å; F340-N382 HydrophobicContact CE1-CB 4.48Å; N382-A384 VanDerWaalsContact C-N 3.32Å; N382-A384 PolarHBondContact O-N 3.43Å; N382-G385 PolarHBondContact O-N 3.46Å; N382-G385 VanDerWaalsContact O-N 3.17Å; N382-G385 WeakPolarHBondContact OD1-CA 3.23Å; N382-G385 PolarHBondContact OD1-N 3Å; N382-F386 WeakPolarHBondContact O-CB 3.46Å; N382-F386 PolarHBondContact O-N 3.38Å
383D98.9Very high97.6Very high125 Ų12535.6 Ų35.667%0.66821%0.209SC*.Hα-helixtrans-61.8-40.3-172.3-66.3-23.7000112.5R342 F386 G387R342-D383 IonicContact CZ-OD1 3.01Å; R342-D383 IonicContact NH1-OD1 2.74Å; R342-D383 IonicContact NH2-OD1 3.78Å; R342-D383 PolarHBondContact NH2-OD1 3.13Å; D383-F386 PolarHBondContact O-N 3.21Å; D383-G387 PolarHBondContact O-N 3.22Å
384A98.8Very high98.1Very high36 Ų3637.1 Ų37.130%0.29822%0.216SC..Hα-helixtrans-66.6-39.3176.300000112.4S312 P314 N382 G387 K388S312-A384 VanDerWaalsContact O-CB 3.29Å; S312-A384 WeakPolarHBondContact O-CB 3.35Å; P314-A384 HydrophobicContact CB-CB 4.36Å; P314-A384 HydrophobicContact CG-CB 4.04Å; N382-A384 VanDerWaalsContact C-N 3.32Å; N382-A384 PolarHBondContact O-N 3.43Å; A384-G387 PolarHBondContact O-N 3.25Å; A384-K388 PolarHBondContact O-N 3.36Å
385G98.8Very high98.3Very high0 Ų040 Ų400%023%0.225CC..Hα-helixtrans-65.2-43.2175.900000111.6N382 K388 W389N382-G385 PolarHBondContact O-N 3.46Å; N382-G385 VanDerWaalsContact O-N 3.17Å; N382-G385 WeakPolarHBondContact OD1-CA 3.23Å; N382-G385 PolarHBondContact OD1-N 3Å; G385-K388 PolarHBondContact O-N 3.38Å; G385-W389 PolarHBondContact O-N 2.68Å
386F98.8Very high98.5Very high81 Ų8140.7 Ų40.736%0.35523%0.228SC..Hα-helixtrans-63.3-44.2174.2-179.4-110.9000111.5R342 Q381 N382 D383 K388 A390R342-F386 HydrophobicContact CB-CD2 3.76Å; R342-F386 HydrophobicContact CB-CE2 3.93Å; R342-F386 HydrophobicContact CG-CB 4.31Å; R342-F386 HydrophobicContact CG-CD2 3.56Å; R342-F386 HydrophobicContact CG-CE2 4.17Å; R342-F386 HydrophobicContact CG-CG 4.15Å; Q381-F386 HydrophobicContact CB-CB 4.18Å; N382-F386 WeakPolarHBondContact O-CB 3.46Å; N382-F386 PolarHBondContact O-N 3.38Å; D383-F386 PolarHBondContact O-N 3.21Å; F386-K388 PolarHBondContact O-N 2.99Å; F386-A390 HydrophobicContact CD2-CB 4.08Å; F386-A390 HydrophobicContact CE2-CB 3.93Å; F386-A390 HydrophobicContact CZ-CB 4.36Å; F386-A390 VanDerWaalsContact O-CA 3.31Å; F386-A390 WeakPolarHBondContact O-CA 3.33Å; F386-A390 VanDerWaalsContact O-CB 3.24Å; F386-A390 WeakPolarHBondContact O-CB 3.38Å; F386-A390 PolarHBondContact O-N 3.38Å
387G98.7Very high98.5Very high68 Ų6843.5 Ų43.570%0.70125%0.251SS*.Hα-helixtrans-57-31.9175.400000113.7D383 A384D383-G387 PolarHBondContact O-N 3.22Å; A384-G387 PolarHBondContact O-N 3.25Å
388K98.8Very high98.5Very high118 Ų11847.6 Ų47.651%0.51327%0.27SS..Hα-helixtrans-90.5-44.4-179.4-169.4169.9178.61720113.6P314 A384 G385 F386P314-K388 HydrophobicContact CB-CB 4.44Å; P314-K388 HydrophobicContact CB-CD 4.06Å; P314-K388 HydrophobicContact CG-CD 4.31Å; A384-K388 PolarHBondContact O-N 3.36Å; G385-K388 PolarHBondContact O-N 3.38Å; F386-K388 PolarHBondContact O-N 2.99Å
389W98.8Very high98.4Very high30 Ų3047.6 Ų47.611%0.11427%0.27CS..Hα-helixtrans-124.334-168.9-56.2-63.5000112.8F241 G284 P314 Q381 G385F241-W389 VanDerWaalsContact C-CD1 3.44Å; F241-W389 PolarHBondContact O-NE1 3.16Å; G284-W389 WeakPolarHBondContact O-CZ3 3.37Å; P314-W389 HydrophobicContact CB-CE3 4.44Å; P314-W389 HydrophobicContact CB-CH2 3.95Å; P314-W389 HydrophobicContact CB-CZ3 3.67Å; P314-W389 WeakPolarHBondContact O-CZ3 3.48Å; Q381-W389 PolarHBondContact NE2-O 3.01Å; G385-W389 PolarHBondContact O-N 2.68Å
390A98.7Very high98.2Very high19 Ų1950.3 Ų50.316%0.15729%0.287CS..  trans-47.6134.8177.600000112.3F386 T392 R395F386-A390 HydrophobicContact CD2-CB 4.08Å; F386-A390 HydrophobicContact CE2-CB 3.93Å; F386-A390 HydrophobicContact CZ-CB 4.36Å; F386-A390 VanDerWaalsContact O-CA 3.31Å; F386-A390 WeakPolarHBondContact O-CA 3.33Å; F386-A390 VanDerWaalsContact O-CB 3.24Å; F386-A390 WeakPolarHBondContact O-CB 3.38Å; F386-A390 PolarHBondContact O-N 3.38Å; A390-T392 HydrophobicContact CB-CG2 4.08Å; A390-T392 PolarHBondContact O-N 2.91Å; A390-R395 VanDerWaalsContact O-CD 3.26Å; A390-R395 WeakPolarHBondContact O-CD 3.25Å; A390-R395 PolarHBondContact O-NH1 2.99Å
391P98.4Very high97.9Very high15 Ų1552.1 Ų52.110%0.09730%0.302CS..  trans-71.371.316830.9-35.4000111.6F241 R342 H343 F379 L396F241-P391 HydrophobicContact CE1-CB 4.35Å; R342-P391 HydrophobicContact CB-CG 4.06Å; H343-P391 HydrophobicContact CB-CB 3.75Å; H343-P391 HydrophobicContact CB-CG 3.5Å; H343-P391 VanDerWaalsContact CB-CG 3.5Å; F379-P391 HydrophobicContact CB-CG 4.33Å; F379-P391 HydrophobicContact CD1-CB 3.97Å; F379-P391 HydrophobicContact CD1-CG 4.38Å; F379-P391 HydrophobicContact CD2-CB 4.48Å; F379-P391 HydrophobicContact CE1-CB 4.17Å; F379-P391 HydrophobicContact CG-CB 4.14Å; F379-P391 HydrophobicContact CG-CG 4.32Å; P391-L396 HydrophobicContact CB-CD1 4.2Å; P391-L396 HydrophobicContact CB-CD2 3.95Å; P391-L396 HydrophobicContact CB-CG 4.12Å; P391-L396 WeakPolarHBondContact O-CD1 3.35Å
392T98.5Very high97.7Very high43 Ų4353 Ų5326%0.26431%0.31SS..  trans-70155.5174.278.50000110.8A390 E394 R395 L396A390-T392 HydrophobicContact CB-CG2 4.08Å; A390-T392 PolarHBondContact O-N 2.91Å; T392-E394 VanDerWaalsContact CB-OE2 3.23Å; T392-E394 WeakPolarHBondContact CB-OE2 3.46Å; T392-E394 PolarHBondContact O-N 2.86Å; T392-E394 VanDerWaalsContact O-N 3.15Å; T392-E394 PolarHBondContact OG1-OE2 3.15Å; T392-R395 PolarHBondContact O-N 2.92Å; T392-R395 VanDerWaalsContact O-N 3.15Å; T392-L396 WeakPolarHBondContact O-CG 3.17Å; T392-L396 PolarHBondContact O-N 3.43Å
393P98.2Very high97.2Very high98 Ų9853.5 Ų53.564%0.63631%0.311SS*.Hα-helixtrans-52.6-37.3178.8-28.136.6000113.8A397P393-A397 WeakPolarHBondContact O-CB 2.75Å; P393-A397 PolarHBondContact O-N 3.25Å
394E98.1Very high96.4Very high128 Ų12856.2 Ų56.260%0.59831%0.312SS*.Hα-helixtrans-68.7-44.8-179.3-54.270.9-149.500111.4T392 A397 E398T392-E394 VanDerWaalsContact CB-OE2 3.23Å; T392-E394 WeakPolarHBondContact CB-OE2 3.46Å; T392-E394 PolarHBondContact O-N 2.86Å; T392-E394 VanDerWaalsContact O-N 3.15Å; T392-E394 PolarHBondContact OG1-OE2 3.15Å; E394-A397 PolarHBondContact O-N 3.43Å; E394-E398 WeakPolarHBondContact O-CG 3.38Å; E394-E398 PolarHBondContact O-N 2.84Å; E394-E398 VanDerWaalsContact O-N 3.13Å
395R98.4Very high94.8Very high69 Ų6958.1 Ų58.126%0.2632%0.321SS..Hα-helixtrans-66.3-38.9177.5-70.6174.3169.7171-4.2111.6Q240 F241 A390 T392 E398 L399Q240-R395 HydrophobicContact CB-CB 4.17Å; Q240-R395 HydrophobicContact CB-CG 4.18Å; Q240-R395 WeakPolarHBondContact O-CD 3.2Å; Q240-R395 PolarHBondContact O-NE 3.21Å; F241-R395 HydrophobicContact CE1-CB 3.85Å; F241-R395 HydrophobicContact CE2-CB 4.41Å; F241-R395 HydrophobicContact CZ-CB 3.62Å; A390-R395 VanDerWaalsContact O-CD 3.26Å; A390-R395 WeakPolarHBondContact O-CD 3.25Å; A390-R395 PolarHBondContact O-NH1 2.99Å; T392-R395 PolarHBondContact O-N 2.92Å; T392-R395 VanDerWaalsContact O-N 3.15Å; R395-E398 PolarHBondContact O-N 2.94Å; R395-L399 PolarHBondContact O-N 2.68Å
396L98.1Very high92.8Very high18 Ų1861.7 Ų61.79%0.09435%0.346CS..Hα-helixtrans-66.8-38.4176-69.8168.9000112F241 H343 F379 P391 T392 E398 L399 T400F241-L396 HydrophobicContact CZ-CD2 4.5Å; H343-L396 VanDerWaalsContact NE2-CD1 3.35Å; H343-L396 WeakPolarHBondContact NE2-CD1 3.37Å; F379-L396 HydrophobicContact CE2-CD2 3.88Å; F379-L396 HydrophobicContact CZ-CD2 3.81Å; P391-L396 HydrophobicContact CB-CD1 4.2Å; P391-L396 HydrophobicContact CB-CD2 3.95Å; P391-L396 HydrophobicContact CB-CG 4.12Å; P391-L396 WeakPolarHBondContact O-CD1 3.35Å; T392-L396 WeakPolarHBondContact O-CG 3.17Å; T392-L396 PolarHBondContact O-N 3.43Å; L396-E398 VanDerWaalsContact C-N 3.35Å; L396-L399 PolarHBondContact O-N 3.09Å; L396-T400 WeakPolarHBondContact O-CB 3.36Å; L396-T400 PolarHBondContact O-N 2.97Å; L396-T400 PolarHBondContact O-OG1 2.72Å
397A96.7Very high90.3Very high58 Ų5866.9 Ų66.948%0.47938%0.377SS..Hα-helixtrans-62.5-42.317500000111.6P393 E394 T400 A401P393-A397 WeakPolarHBondContact O-CB 2.75Å; P393-A397 PolarHBondContact O-N 3.25Å; E394-A397 PolarHBondContact O-N 3.43Å; A397-T400 PolarHBondContact O-N 3.17Å; A397-A401 WeakPolarHBondContact O-CB 3.25Å; A397-A401 PolarHBondContact O-N 3Å
398E97.1Very high87.6Confident86 Ų8667.8 Ų67.840%0.40237%0.372SS..Hα-helixtrans-63.2-43.6175.3-76.6-74.6131.900112.7R239 Q240 E394 R395 L396 A401 A402R239-E398 IonicContact NH2-OE2 2.7Å; R239-E398 PolarHBondContact NH2-OE2 3.22Å; Q240-E398 HydrophobicContact CG-CB 3.89Å; Q240-E398 PolarHBondContact NE2-OE2 3.22Å; E394-E398 WeakPolarHBondContact O-CG 3.38Å; E394-E398 PolarHBondContact O-N 2.84Å; E394-E398 VanDerWaalsContact O-N 3.13Å; R395-E398 PolarHBondContact O-N 2.94Å; L396-E398 VanDerWaalsContact C-N 3.35Å; E398-A401 PolarHBondContact O-N 3.36Å; E398-A402 PolarHBondContact O-N 2.95Å; E398-A402 VanDerWaalsContact O-N 3.15Å
399L96.5Very high85.3Confident0 Ų068.3 Ų68.30%037%0.371CS..Hα-helixtrans-64-43.3175.3-178.861.9000111.7V233 A236 L237 F241 F379 R395 L396 A401 A402 Y403V233-L399 HydrophobicContact CG1-CD1 4.02Å; A236-L399 HydrophobicContact CB-CD1 4.16Å; L237-L399 HydrophobicContact CD2-CD1 3.97Å; L237-L399 HydrophobicContact CD2-CD2 4.31Å; L237-L399 HydrophobicContact CG-CD1 4.05Å; F241-L399 HydrophobicContact CE2-CB 4.2Å; F241-L399 HydrophobicContact CE2-CD2 4.04Å; F379-L399 HydrophobicContact CZ-CD2 3.9Å; R395-L399 PolarHBondContact O-N 2.68Å; L396-L399 PolarHBondContact O-N 3.09Å; L399-A401 VanDerWaalsContact C-N 3.33Å; L399-A401 PolarHBondContact O-N 3.38Å; L399-A402 WeakPolarHBondContact O-CB 3.4Å; L399-A402 PolarHBondContact O-N 3.21Å; L399-Y403 WeakPolarHBondContact O-CD2 3.39Å
400T94.6Very high82.3Confident57 Ų5772.8 Ų72.835%0.3540%0.402SS..Hα-helixtrans-65-38.8178.1-55.40000111.2L396 A397 A402 Y403L396-T400 WeakPolarHBondContact O-CB 3.36Å; L396-T400 PolarHBondContact O-N 2.97Å; L396-T400 PolarHBondContact O-OG1 2.72Å; A397-T400 PolarHBondContact O-N 3.17Å; T400-A402 VanDerWaalsContact C-N 3.25Å; T400-A402 PolarHBondContact O-N 3.24Å; T400-Y403 PolarHBondContact O-N 3.21Å
401A94.2Very high79.4Confident38 Ų3876.8 Ų76.831%0.31443%0.429SS..Hα-helixtrans-62.8-32.6175.600000112.3A397 E398 L399 Y403 R404A397-A401 WeakPolarHBondContact O-CB 3.25Å; A397-A401 PolarHBondContact O-N 3Å; E398-A401 PolarHBondContact O-N 3.36Å; L399-A401 VanDerWaalsContact C-N 3.33Å; L399-A401 PolarHBondContact O-N 3.38Å; A401-Y403 PolarHBondContact O-N 3.42Å; A401-R404 WeakPolarHBondContact O-CB 3.39Å; A401-R404 PolarHBondContact O-N 2.73Å; A401-R404 VanDerWaalsContact O-N 3.13Å
402A94.3Very high76.7Confident20 Ų2081.3 Ų81.317%0.16546%0.461CS..Hα-helixtrans-67.1-18.917900000114.3A232 V233 A236 E398 L399 T400A232-A402 HydrophobicContact CB-CB 4.4Å; V233-A402 HydrophobicContact CG2-CB 4.31Å; A236-A402 HydrophobicContact CB-CB 3.83Å; E398-A402 PolarHBondContact O-N 2.95Å; E398-A402 VanDerWaalsContact O-N 3.15Å; L399-A402 WeakPolarHBondContact O-CB 3.4Å; L399-A402 PolarHBondContact O-N 3.21Å; T400-A402 VanDerWaalsContact C-N 3.25Å; T400-A402 PolarHBondContact O-N 3.24Å
403Y88.4Confident74.1Confident17 Ų1785.9 Ų85.97%0.06748%0.483CS..THydrogen-bonded Turntrans-78.3-17.7173.6-81.5-74.3000113.8V233 F320 V347 H352 L399 T400 A401V233-Y403 HydrophobicContact CG1-CE2 4.27Å; V233-Y403 HydrophobicContact CG2-CD1 3.89Å; V233-Y403 HydrophobicContact CG2-CD2 4.26Å; V233-Y403 HydrophobicContact CG2-CE1 3.82Å; V233-Y403 HydrophobicContact CG2-CE2 4.17Å; V233-Y403 HydrophobicContact CG2-CG 4.14Å; F320-Y403 WeakPolarHBondContact CD1-OH 3.33Å; F320-Y403 WeakPolarHBondContact CE1-OH 3.37Å; V347-Y403 HydrophobicContact CG1-CD1 4.15Å; V347-Y403 HydrophobicContact CG1-CD2 4.36Å; V347-Y403 HydrophobicContact CG1-CE1 4.37Å; V347-Y403 HydrophobicContact CG1-CG 4.12Å; V347-Y403 HydrophobicContact CG2-CD2 4.14Å; V347-Y403 HydrophobicContact CG2-CE2 3.77Å; H352-Y403 HydrophobicContact CB-CD1 3.56Å; H352-Y403 HydrophobicContact CB-CE1 4.08Å; H352-Y403 HydrophobicContact CB-CG 4.36Å; L399-Y403 WeakPolarHBondContact O-CD2 3.39Å; T400-Y403 PolarHBondContact O-N 3.21Å; A401-Y403 PolarHBondContact O-N 3.42Å
404R81.5Confident71.2Confident181 Ų18186.1 Ų86.168%0.68349%0.487SS*.SBendtrans-69.5129.8-179.5-65.2-173.3-170.2134.32.7109.9A401 S406A401-R404 WeakPolarHBondContact O-CB 3.39Å; A401-R404 PolarHBondContact O-N 2.73Å; A401-R404 VanDerWaalsContact O-N 3.13Å; R404-S406 PolarHBondContact O-N 3.4Å
405P65.4Low68.5Low77 Ų7781.6 Ų81.650%0.547%0.469SS..PPolyproline II helixtrans-57.9125.8176.1-21.130.6000110.6L407P405-L407 PolarHBondContact O-N 3.41Å
406S56.5Low65.9Low74 Ų7480.9 Ų80.952%0.51747%0.474SS..PPolyproline II helixtrans-66.3121.6172.264.10000109.8R404 S408R404-S406 PolarHBondContact O-N 3.4Å; S406-S408 PolarHBondContact O-N 3.16Å; S406-S408 VanDerWaalsContact O-N 3.17Å
407L47.4Very low63.3Low191 Ų19181.9 Ų81.9100%149%0.488SS*.SBendtrans-67.9-7.5177.1-74.7163000113.4P405P405-L407 PolarHBondContact O-N 3.41Å
408S40.9Very low60.7Low87 Ų8779.5 Ų79.561%0.60847%0.468SS*.  trans-117.697.3178.41740000109.7S406S406-S408 PolarHBondContact O-N 3.16Å; S406-S408 VanDerWaalsContact O-N 3.17Å
409R51Low58Low129 Ų12977.2 Ų77.249%0.48746%0.464SS..  trans-116.262.2165.5-70.3-172.4-167.3172.35.6109.5E353E353-R409 IonicContact OE2-NH2 2.98Å; E353-R409 PolarHBondContact OE2-NH2 2.88Å
410T36.3Very low55.2Low123 Ų12384.6 Ų84.676%0.75550%0.498SS*.  trans-13173.1168.952.40000110.7
411S37Very low52.3Low104 Ų10485.7 Ų85.773%0.72751%0.508SS*.SBendtrans171.9124.2146.4530000111.5
412S41Very low49.3Very low110 Ų11088.2 Ų88.277%0.76953%0.529SS*.  trans46.889.2161.662.40000118.5
413L44.3Very low46.3Very low139 Ų13993.9 Ų93.973%0.72856%0.564SS**  trans-119.476.1162.5-76.5162.2000109.4
414S38.5Very low43.5Very low103 Ų10396.2 Ų96.272%0.7259%0.593SS**  trans-56.2145.3148.9-45.80000107.4
415S41.3Very low40.8Very low33 Ų3395.3 Ų95.323%0.23160%0.602CS.*  trans-43.4122.6170-66.20000108.8G417S415-G417 PolarHBondContact O-N 3.03Å
416P43.8Very low39.3Very low54 Ų54103.5 Ų103.535%0.35162%0.623SS.*  trans-59.8117.6174.522.7-28.7000105.6V231V231-P416 HydrophobicContact CG2-CG 4.14Å
417G42.7Very low38Very low39 Ų39107.1 Ų107.140%0.40264%0.636SS.*  trans-55.8154.3167.700000108.5S415 A419S415-G417 PolarHBondContact O-N 3.03Å; G417-A419 PolarHBondContact O-N 3.14Å
418P42.1Very low37.2Very low7 Ų7103.6 Ų103.65%0.04563%0.628CS.*  trans-43.9120.8174.914.9-31.7000110.5L185 L186 Y189 K257 Q420L185-P418 HydrophobicContact CB-CG 4.44Å; L185-P418 HydrophobicContact CD2-CG 3.65Å; L185-P418 HydrophobicContact CG-CG 3.88Å; L186-P418 HydrophobicContact CD2-CB 4.18Å; L186-P418 HydrophobicContact CD2-CG 4.07Å; L186-P418 HydrophobicContact CG-CG 4.44Å; Y189-P418 HydrophobicContact CE2-CG 4.21Å; K257-P418 HydrophobicContact CB-CB 3.93Å; P418-Q420 PolarHBondContact O-N 3.29Å
419A39.8Very low36.7Very low38 Ų38104 Ų10431%0.31464%0.637SS.*PPolyproline II helixtrans-57.3131.2-178.500000109.7Y255 G417Y255-A419 HydrophobicContact CE1-CB 4.12Å; G417-A419 PolarHBondContact O-N 3.14Å
420Q38.3Very low35.6Very low155 Ų155104 Ų10472%0.72465%0.653SS**PPolyproline II helixtrans-75.8128.6171.9-67.1-174.21.100108.5Y189 P418 A422Y189-Q420 PolarHBondContact OH-NE2 3.42Å; P418-Q420 PolarHBondContact O-N 3.29Å; Q420-A422 PolarHBondContact O-N 3.17Å
421S34.3Very low35.2Very low80 Ų80108 Ų10856%0.55966%0.66SS**PPolyproline II helixtrans-59.4120.8166.946.50000109.1
422A31.2Very low34.7Very low92 Ų92107.9 Ų107.976%0.7667%0.666SS**PPolyproline II helixtrans-59.4140.3174.800000110.8Q420 G424Q420-A422 PolarHBondContact O-N 3.17Å; A422-G424 PolarHBondContact O-N 3.14Å
423P30Very low34.2Very low138 Ų138107.8 Ų107.890%0.89667%0.665SS**  trans-79.6114172.729.7-27.9000109.4
424G29.6Very low33.4Very low66 Ų66108.9 Ų108.968%0.6867%0.672SS**  trans-153.782.3177.400000111.9A422A422-G424 PolarHBondContact O-N 3.14Å
425D26.2Very low33Very low162 Ų162114.7 Ų114.787%0.86668%0.678SS**  -171.494.6125.9-101.8-18.1000107.8
426R32.8Very low32.3Very low249 Ų249120.2 Ų120.294%0.9471%0.71SS**  trans-88.5103.2158.9-85.4-174.5173.4-176.6-1.2105.8
427D30.4Very low31.5Very low150 Ų150126.3 Ų126.380%0.80273%0.734SS**  trans-142.6110.1154.6-104.3-25.1000110.5
428S30.2Very low30.8Very low118 Ų118130.5 Ų130.583%0.82576%0.757SS**  trans150.983.2146.5-68.10000109.2
429A29.1Very low30.1Very low96 Ų96134.3 Ų134.379%0.79379%0.789SS**PPolyproline II helixtrans-68.8128.6156.900000108.5K431A429-K431 PolarHBondContact O-N 2.64Å
430P29.5Very low29.6Very low128 Ų128140.8 Ų140.883%0.83182%0.815SS**PPolyproline II helixtrans-78.2122.5167.924.8-19.6000109.2
431K27.2Very low29.2Very low206 Ų206139.3 Ų139.390%0.89682%0.816SS**PPolyproline II helixtrans-59.7138.3170.9-79.5179.1173.91770110.6A429A429-K431 PolarHBondContact O-N 2.64Å
432A26.8Very low29Very low102 Ų102140.8 Ų140.884%0.84383%0.826SS**PPolyproline II helixtrans-91.4118.3170.200000111.1
433S29.4Very low29.3Very low108 Ų108142.1 Ų142.176%0.75583%0.828SS**  trans172.9118.7151.253.10000105.8
434D27.8Very low29.2Very low162 Ų162139.5 Ų139.587%0.86683%0.826SS**  -153.5151.571.3-121.1-26.5000113.9
435R29.5Very low29.1Very low226 Ų226139.5 Ų139.585%0.85383%0.825SS**  trans-71.9140177.5-80.4171.5163.2173.7-4.8111.3
436T27.3Very low29.4Very low148 Ų148140 Ų14091%0.90882%0.822SS**  trans-136.6126.9140.3-00000109.7
437Q27.6Very low29.4Very low182 Ų182134.2 Ų134.285%0.8581%0.81SS**  trans-69144.2-178.7-68165.7-17.800111.3
438S28.1Very low29.4Very low128 Ų128131.5 Ų131.590%0.89580%0.803SS**  trans-152.7137.7133.8-153.70000110.5
439A27.4Very low29.4Very low86 Ų86133.2 Ų133.271%0.71180%0.803SS**  trans-81.6153.7-170.500000112.5
440M28.5Very low29.5Very low175 Ų175134.9 Ų134.986%0.86280%0.798SS**  168.5124.8111.5-93.8-170.7166.100113.2
441V29.6Very low29.6Very low123 Ų123135.8 Ų135.875%0.74580%0.796SS**  trans72.7109.4133.8-173.40000119.6
442S30.9Very low29.8Very low111 Ų111128.8 Ų128.878%0.77678%0.783SS**  trans-86.5161148.9-55.80000111.2
443P38.2Very low30Very low121 Ų121129.8 Ų129.879%0.78678%0.783SS**  -130.2140.6117.914.36.4000110.2
444G27.3Very low30.1Very low83 Ų83129.8 Ų129.886%0.85678%0.783SS**  67.212468.800000110.1
445G28.3Very low30.2Very low65 Ų65127.1 Ų127.167%0.6778%0.778SS**  cis165.2168.47.500000107
446H32.1Very low30.2Very low173 Ų173121.4 Ų121.480%0.80177%0.772SS**  trans70.7148.1171.4-70.3-81.7000117.5
447D32Very low30.4Very low127 Ų127119.6 Ų119.668%0.67977%0.766SS**  cis-169156-6.2-117-13.8000110
448S31.6Very low30.7Very low94 Ų94116.2 Ų116.266%0.65776%0.762SS**  trans67.1135.4137.7-60.70000125
449N30.3Very low31.5Very low154 Ų154115.6 Ų115.682%0.82476%0.755SS**  trans73.6150.9145.2-79-8.4000119.6
450N31.2Very low31.7Very low130 Ų130119.4 Ų119.470%0.69576%0.758SS**  cis-178.2167.6-21.1-169.411.6000104.6
451N31.3Very low32.1Very low147 Ų147117.6 Ų117.679%0.78675%0.752SS**  trans77.5129.3172.2-62.7-11.2000116.4
452G29.7Very low32.3Very low60 Ų60121.6 Ų121.662%0.61976%0.759SS**  cis146.1136.4600000109.4
453S31.9Very low32.5Very low122 Ų122123.9 Ų123.985%0.85376%0.762SS**  trans62.5142.8162.159.70000116.4
454S30.6Very low32.2Very low108 Ų108125 Ų12576%0.75577%0.767SS**  cis178.6157.314.337.20000102.9
455S30.8Very low32.6Very low107 Ų107125.4 Ų125.475%0.74876%0.762SS**  cis-170.7141.327.837.30000107.5
456S29.4Very low32.9Very low106 Ų106135 Ų13574%0.74179%0.793SS**  trans-45.1159.5149.355.10000111.5
457S30.7Very low33Very low110 Ų110133.2 Ų133.277%0.76979%0.792SS**  cis-179.1142.134.128.30000107.6
458S34.4Very low33Very low111 Ų111133.5 Ų133.578%0.77680%0.798SS**  trans-69.3163.4154.4-33.10000109.7
459P44.8Very low33.1Very low114 Ų114135.7 Ų135.774%0.7481%0.806SS**  -156.9166.272.238.6-16.3000118.5
460Q32.8Very low33.3Very low167 Ų167134.6 Ų134.678%0.7881%0.805SS**  trans61.1123.5142.4-79.7179.9-47.600124.6
461D36.8Very low33.4Very low137 Ų137134.9 Ų134.973%0.73381%0.812SS**  49.9118.5129.6-61.7-30000122.1
462K33.5Very low33.5Very low206 Ų206134.1 Ų134.190%0.89681%0.814SS**  -173.8144.9117.6-106.8174.7-178.4178.30114
463L34.8Very low33.8Very low160 Ų160139.4 Ų139.484%0.83883%0.828SS**  trans-51.3149.7172.3-74.283.7000114.6
464T31.3Very low34Very low144 Ų144140.7 Ų140.788%0.88383%0.826SS**  -166.7143.2118.34.20000113.3
465A35.7Very low34.2Very low92 Ų92143.4 Ų143.476%0.7683%0.832SS**  trans-16.3132.5165.400000119.8
466M35.9Very low34.5Very low267 Ų267146.7 Ų146.7100%1.31584%0.839SS**  -166.10102.9-106.1-175.7173.800110.7

Retrieved 466 of 466 residues in 1388.5 ms (Link to these results)

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