A0A087YNJ9_POEFO Loading...

Dihydropyrimidinase

AlphaFold DB , UniProt , Accession A0A087YNJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 496 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
1M42Very low81.1Confident244 Ų24475.3 Ų75.3100%1.20241%0.414SS*.  0130.30-64-179.9-140.500106.5
2A52.7Low82.6Confident98 Ų9869 Ų6981%0.8138%0.38SS*.PPolyproline II helixtrans-64.4138.6174.800000108.9
3E58.2Low83.8Confident182 Ų18268.5 Ų68.585%0.8537%0.372SS*.PPolyproline II helixtrans-56.8140175.5-76.1-169.6151.100110.4S5E3-S5 PolarHBondContact O-N 3.42Å
4P69.1Low84.9Confident67 Ų6763.7 Ų63.744%0.43535%0.346SS..PPolyproline II helixtrans-62.4121.8178.823.3-30.6000110.1R6 N29P4-R6 PolarHBondContact O-N 3.05Å; P4-R6 VanDerWaalsContact O-N 3.17Å; P4-N29 WeakPolarHBondContact CB-OD1 3.27Å
5S86.3Confident85.8Confident37 Ų3759.5 Ų59.526%0.25932%0.323SS..  trans-70.4110.8174.7-168.90000108.9E3 N29 G440E3-S5 PolarHBondContact O-N 3.42Å; S5-N29 PolarHBondContact O-N 3.26Å; S5-N29 VanDerWaalsContact O-N 3.14Å; S5-G440 WeakPolarHBondContact CB-O 3.17Å; S5-G440 PolarHBondContact OG-O 3.12Å
6R95.5Very high86.6Confident82 Ų8256.5 Ų56.531%0.30931%0.306SS..EExtended strand (participates in β ladder)trans-122.9122.8178-67.2176.1-68.71742.9108.9P4 Y26 I27 E28 V45 R46P4-R6 PolarHBondContact O-N 3.05Å; P4-R6 VanDerWaalsContact O-N 3.17Å; R6-Y26 HydrophobicContact CB-CE2 4.44Å; R6-I27 WeakPolarHBondContact CA-O 3.14Å; R6-E28 HydrophobicContact CG-CB 4.41Å; R6-E28 HydrophobicContact CG-CG 4.01Å; R6-V45 HydrophobicContact CB-CB 4.48Å; R6-V45 HydrophobicContact CB-CG1 4.13Å; R6-V45 HydrophobicContact CB-CG2 3.98Å; R6-R46 PolarHBondContact O-N 2.79Å
7I97.6Very high87.4Confident4 Ų455.2 Ų55.22%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-133.2137-176.6-60169.1000108.8I9 Y26 I27 R46 I48 I437 G440 V442I7-I9 HydrophobicContact CG2-CG1 4.32Å; I7-Y26 WeakPolarHBondContact O-CD2 3.2Å; I7-I27 HydrophobicContact CB-CB 4.19Å; I7-I27 PolarHBondContact N-O 3.02Å; I7-I27 PolarHBondContact O-N 3.02Å; I7-R46 CarbonylContact C-O 3.57Å; I7-R46 WeakPolarHBondContact CA-O 3.15Å; I7-I48 HydrophobicContact CG2-CD1 3.5Å; I7-I48 VanDerWaalsContact CG2-CD1 3.5Å; I7-I48 HydrophobicContact CG2-CG1 4.11Å; I7-I437 HydrophobicContact CD1-CD1 4.41Å; I7-I437 HydrophobicContact CD1-CG2 4.29Å; I7-I437 HydrophobicContact CG2-CD1 4.27Å; I7-G440 WeakPolarHBondContact CD1-O 3.38Å; I7-V442 HydrophobicContact CD1-CG2 3.9Å
8L98.1Very high88Confident4 Ų457.3 Ų57.32%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-114.4121.2165.4-177.871.3000109.5K10 D24 L39 I41 V45 R46 V47 I48L8-K10 HydrophobicContact CD2-CB 4.15Å; L8-K10 HydrophobicContact CD2-CD 4.34Å; L8-K10 HydrophobicContact CD2-CG 4.27Å; L8-K10 HydrophobicContact CG-CB 4.34Å; L8-D24 HydrophobicContact CD1-CB 4.1Å; L8-L39 HydrophobicContact CD1-CB 4.33Å; L8-L39 HydrophobicContact CD1-CD1 4.35Å; L8-I41 HydrophobicContact CB-CD1 3.42Å; L8-I41 VanDerWaalsContact CB-CD1 3.42Å; L8-I41 HydrophobicContact CD1-CD1 4.06Å; L8-I41 HydrophobicContact CD1-CG2 4.45Å; L8-I41 HydrophobicContact CD2-CD1 3.54Å; L8-I41 HydrophobicContact CD2-CG1 3.91Å; L8-I41 HydrophobicContact CG-CD1 3.84Å; L8-V45 HydrophobicContact CB-CG1 4.15Å; L8-R46 PolarHBondContact N-O 3.42Å; L8-V47 HydrophobicContact CB-CG2 4.46Å; L8-V47 HydrophobicContact CD2-CG2 4.48Å; L8-V47 CarbonylContact O-C 3.57Å; L8-V47 WeakPolarHBondContact O-CA 3.41Å; L8-I48 PolarHBondContact O-N 2.55Å
9I98.4Very high88.6Confident1 Ų157.8 Ų57.81%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-92.4117.1166.8-49.5173.9000106.6I7 D24 V25 I27 I48 A50 V55 V399 V401 I437I7-I9 HydrophobicContact CG2-CG1 4.32Å; I9-D24 CarbonylContact O-C 3.47Å; I9-D24 VanDerWaalsContact O-CA 3.23Å; I9-D24 WeakPolarHBondContact O-CA 3.41Å; I9-D24 WeakPolarHBondContact O-CB 3.41Å; I9-V25 HydrophobicContact CB-CB 4.24Å; I9-V25 HydrophobicContact CD1-CB 4.38Å; I9-V25 PolarHBondContact N-O 3.39Å; I9-V25 PolarHBondContact O-N 3.29Å; I9-I27 HydrophobicContact CD1-CD1 4.09Å; I9-I48 WeakPolarHBondContact CA-O 3.44Å; I9-A50 HydrophobicContact CG2-CB 3.54Å; I9-V55 HydrophobicContact CD1-CG1 4.01Å; I9-V55 HydrophobicContact CG2-CG1 4.32Å; I9-V55 HydrophobicContact CG2-CG2 3.69Å; I9-V399 HydrophobicContact CD1-CB 4.27Å; I9-V399 HydrophobicContact CD1-CG1 3.59Å; I9-V401 HydrophobicContact CD1-CG2 4.46Å; I9-V401 HydrophobicContact CG2-CG2 4Å; I9-I437 HydrophobicContact CD1-CD1 3.74Å; I9-I437 HydrophobicContact CG1-CD1 4.18Å
10K98Very high89.1Confident80 Ų8056.9 Ų56.935%0.34831%0.314SS..EExtended strand (participates in β ladder)trans-117136.7-169.2-162.7-172.7-178.563.70112.2L8 G12 D24 V47 I48 A50L8-K10 HydrophobicContact CD2-CB 4.15Å; L8-K10 HydrophobicContact CD2-CD 4.34Å; L8-K10 HydrophobicContact CD2-CG 4.27Å; L8-K10 HydrophobicContact CG-CB 4.34Å; K10-G12 VanDerWaalsContact C-N 3.34Å; K10-G12 PolarHBondContact O-N 2.84Å; K10-D24 VanDerWaalsContact CA-OD1 3.29Å; K10-D24 WeakPolarHBondContact CA-OD1 2.88Å; K10-D24 WeakPolarHBondContact CG-OD1 3.41Å; K10-D24 IonicContact NZ-OD2 3.41Å; K10-V47 HydrophobicContact CB-CG1 4.1Å; K10-I48 PolarHBondContact N-O 2.82Å; K10-A50 PolarHBondContact O-N 2.86Å
11G96.8Very high89.5Confident29 Ų2957.7 Ų57.730%0.29932%0.321SS..SBendtrans79.27.4169.800000115.9D24G11-D24 PolarHBondContact N-OD1 3.24Å
12G98.2Very high92.2Very high0 Ų051.4 Ų51.40%029%0.291CS..  trans-86.2166.4-179.600000114.6K10 S23 A50K10-G12 VanDerWaalsContact C-N 3.34Å; K10-G12 PolarHBondContact O-N 2.84Å; G12-S23 PolarHBondContact O-N 3.02Å; G12-S23 VanDerWaalsContact O-N 3.13Å; G12-A50 WeakPolarHBondContact CA-O 3.41Å
13K98.8Very high94.4Very high63 Ų6347.2 Ų47.227%0.27426%0.256SS..EExtended strand (participates in β ladder)trans-93106.7168.2-169.8173.659.9159.10109V15 V21 I22 K53 L54 V55 E367K13-V15 HydrophobicContact CG-CG2 4.4Å; K13-V15 PolarHBondContact O-N 3.2Å; K13-V21 CarbonylContact C-O 3.53Å; K13-I22 HydrophobicContact CB-CD1 3.72Å; K13-I22 HydrophobicContact CD-CD1 4.44Å; K13-I22 HydrophobicContact CG-CD1 3.97Å; K13-K53 PolarHBondContact N-O 3.49Å; K13-L54 HydrophobicContact CB-CD2 4.11Å; K13-L54 HydrophobicContact CD-CD2 4.43Å; K13-L54 CarbonylContact O-C 3.56Å; K13-L54 WeakPolarHBondContact O-CA 3.4Å; K13-V55 PolarHBondContact O-N 2.85Å; K13-E367 VanDerWaalsContact CE-OE1 3.26Å; K13-E367 WeakPolarHBondContact CE-OE1 3.46Å; K13-E367 IonicContact NZ-OE1 3.14Å; K13-E367 PolarHBondContact NZ-OE1 2.92Å; K13-E367 IonicContact NZ-OE2 3.69Å; K13-E367 PolarHBondContact NZ-OE2 3.32Å
14V98.9Very high96.3Very high1 Ų138.9 Ų38.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-67126.9171.41750000108.3S20 V21 V25 V35 V55 I391V14-S20 CarbonylContact O-C 3.55Å; V14-S20 VanDerWaalsContact O-CA 3.23Å; V14-S20 WeakPolarHBondContact O-CA 3.49Å; V14-V21 HydrophobicContact CB-CG1 4.29Å; V14-V21 PolarHBondContact N-O 2.71Å; V14-V21 PolarHBondContact O-N 3.44Å; V14-V25 HydrophobicContact CG2-CG2 3.68Å; V14-V35 HydrophobicContact CG2-CG1 4.3Å; V14-V55 WeakPolarHBondContact CA-O 3.48Å; V14-V55 HydrophobicContact CG2-CB 4.26Å; V14-I391 HydrophobicContact CG1-CB 3.66Å; V14-I391 HydrophobicContact CG1-CG1 4.26Å; V14-I391 HydrophobicContact CG1-CG2 3.62Å; V14-I391 HydrophobicContact CG2-CG2 4.18Å
15V98.9Very high97.7Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-120.7115177.8-179.40000107.8K13 L54 V55 I56 P57 E367 V371K13-V15 HydrophobicContact CG-CG2 4.4Å; K13-V15 PolarHBondContact O-N 3.2Å; V15-L54 HydrophobicContact CG2-CB 4.16Å; V15-L54 HydrophobicContact CG2-CD1 4.33Å; V15-L54 HydrophobicContact CG2-CD2 4.02Å; V15-L54 HydrophobicContact CG2-CG 4.41Å; V15-V55 PolarHBondContact N-O 2.81Å; V15-I56 HydrophobicContact CB-CG2 3.91Å; V15-P57 WeakPolarHBondContact O-CD 3.33Å; V15-E367 HydrophobicContact CG1-CB 4.01Å; V15-E367 HydrophobicContact CG1-CG 3.79Å; V15-E367 WeakPolarHBondContact CG1-O 3.44Å; V15-E367 HydrophobicContact CG2-CG 4.33Å; V15-V371 HydrophobicContact CB-CG2 4.38Å; V15-V371 HydrophobicContact CG1-CG2 3.81Å
16N98.9Very high98.3Very high12 Ų1234.8 Ų34.86%0.06419%0.187CC..  trans-109.7178.3169.7-78.1-45.3000109.7D18 C19 N368 R390 I391N16-D18 WeakPolarHBondContact CB-OD1 3.19Å; N16-D18 PolarHBondContact O-N 3.37Å; N16-C19 PolarHBondContact N-O 3.48Å; N16-N368 WeakPolarHBondContact O-CB 3.44Å; N16-N368 PolarHBondContact O-ND2 2.98Å; N16-R390 WeakPolarHBondContact OD1-CA 3.39Å; N16-R390 WeakPolarHBondContact OD1-CG 3.48Å; N16-I391 PolarHBondContact ND2-O 3.41Å; N16-I391 PolarHBondContact OD1-N 2.85Å
17E98.9Very high98.4Very high35 Ų3530.9 Ų30.916%0.16417%0.173CC..SBendtrans-69-16.5-177.979.6-85.3-149.900114.4N368 V371 A372 K380 Y385 R390E17-N368 WeakPolarHBondContact CA-O 3.39Å; E17-V371 HydrophobicContact CB-CG1 4.49Å; E17-A372 HydrophobicContact CB-CB 3.89Å; E17-K380 WeakPolarHBondContact OE1-CE 3.48Å; E17-K380 IonicContact OE1-NZ 2.85Å; E17-K380 PolarHBondContact OE1-NZ 2.98Å; E17-Y385 WeakPolarHBondContact OE1-CE2 3.42Å; E17-Y385 VanDerWaalsContact OE1-CZ 3.31Å; E17-Y385 PolarHBondContact OE1-OH 2.95Å; E17-R390 IonicContact OE1-NH1 2.84Å; E17-R390 IonicContact OE2-NH1 2.76Å; E17-R390 PolarHBondContact OE2-NH1 2.89Å
18D98.8Very high98.4Very high92 Ų9233.5 Ų33.549%0.49219%0.185SC..SBendtrans-100.5-40.6-17656.3-34.7000113.3N16 R390N16-D18 WeakPolarHBondContact CB-OD1 3.19Å; N16-D18 PolarHBondContact O-N 3.37Å; D18-R390 VanDerWaalsContact CG-NH2 3.35Å; D18-R390 IonicContact OD1-CZ 3.31Å; D18-R390 IonicContact OD1-NH1 3.54Å; D18-R390 PolarHBondContact OD1-NH1 3.1Å; D18-R390 IonicContact OD1-NH2 3.86Å; D18-R390 PolarHBondContact OD1-NH2 3.09Å; D18-R390 VanDerWaalsContact OD1-NH2 3.16Å; D18-R390 IonicContact OD2-CZ 2.73Å; D18-R390 IonicContact OD2-NH1 2.65Å; D18-R390 IonicContact OD2-NH2 2.81Å; D18-R390 PolarHBondContact OD2-NH2 2.84Å
19C98.8Very high98.2Very high67 Ų6738.5 Ų38.545%0.45321%0.211SC..  trans-161171.617868.80000113N16 N368N16-C19 PolarHBondContact N-O 3.48Å; C19-N368 WeakPolarHBondContact CA-ND2 3.44Å; C19-N368 PolarHBondContact O-ND2 2.93Å; C19-N368 VanDerWaalsContact O-ND2 3.16Å
20S98.9Very high98.1Very high39 Ų3939.2 Ų39.227%0.27322%0.219SC..EExtended strand (participates in β ladder)trans-118.4135.9175.5-56.10000111.1V14 E367 N368V14-S20 CarbonylContact O-C 3.55Å; V14-S20 VanDerWaalsContact O-CA 3.23Å; V14-S20 WeakPolarHBondContact O-CA 3.49Å; S20-E367 WeakPolarHBondContact CB-OE1 3.43Å; S20-E367 PolarHBondContact OG-OE1 3.14Å; S20-N368 PolarHBondContact N-ND2 2.74Å; S20-N368 PolarHBondContact OG-ND2 3.37Å; S20-N368 PolarHBondContact OG-OD1 2.94Å
21V98.5Very high98.1Very high75 Ų7539.1 Ų39.146%0.45522%0.218SC..EExtended strand (participates in β ladder)trans-146.1141.1-177.566.50000111.5K13 V14 S23K13-V21 CarbonylContact C-O 3.53Å; V14-V21 HydrophobicContact CB-CG1 4.29Å; V14-V21 PolarHBondContact N-O 2.71Å; V14-V21 PolarHBondContact O-N 3.44Å; V21-S23 PolarHBondContact O-N 2.94Å
22I98.6Very high98.2Very high112 Ų11237.8 Ų37.857%0.57420%0.204SC*.EExtended strand (participates in β ladder)trans-70.8119.1171.1-57.1-59.7000108.9K13K13-I22 HydrophobicContact CB-CD1 3.72Å; K13-I22 HydrophobicContact CD-CD1 4.44Å; K13-I22 HydrophobicContact CG-CD1 3.97Å
23S98.4Very high98.2Very high10 Ų1039.8 Ų39.87%0.0722%0.217CC..  trans-161149-179.4-750000111G12 V21G12-S23 PolarHBondContact O-N 3.02Å; G12-S23 VanDerWaalsContact O-N 3.13Å; V21-S23 PolarHBondContact O-N 2.94Å
24D98.6Very high98.2Very high6 Ų641.5 Ų41.53%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-81.3153.6166.5-58.1-24.5000109.1L8 I9 K10 G11 V35 G36 N38 L39L8-D24 HydrophobicContact CD1-CB 4.1Å; I9-D24 CarbonylContact O-C 3.47Å; I9-D24 VanDerWaalsContact O-CA 3.23Å; I9-D24 WeakPolarHBondContact O-CA 3.41Å; I9-D24 WeakPolarHBondContact O-CB 3.41Å; K10-D24 VanDerWaalsContact CA-OD1 3.29Å; K10-D24 WeakPolarHBondContact CA-OD1 2.88Å; K10-D24 WeakPolarHBondContact CG-OD1 3.41Å; K10-D24 IonicContact NZ-OD2 3.41Å; G11-D24 PolarHBondContact N-OD1 3.24Å; D24-V35 WeakPolarHBondContact O-CA 3.4Å; D24-G36 PolarHBondContact N-O 2.94Å; D24-G36 PolarHBondContact O-N 3.07Å; D24-G36 VanDerWaalsContact O-N 3.07Å; D24-N38 PolarHBondContact OD2-N 2.96Å; D24-L39 HydrophobicContact CB-CB 4.18Å; D24-L39 HydrophobicContact CB-CD1 3.95Å; D24-L39 HydrophobicContact CB-CG 3.93Å; D24-L39 PolarHBondContact OD2-N 3.34Å; D24-L39 VanDerWaalsContact OD2-N 3.12Å
25V98.6Very high98.1Very high0 Ų043.7 Ų43.70%024%0.239CC..EExtended strand (participates in β ladder)trans-125.4115.2177.3-177.20000108.9I9 V14 I27 I32 V35 V55 I391I9-V25 HydrophobicContact CB-CB 4.24Å; I9-V25 HydrophobicContact CD1-CB 4.38Å; I9-V25 PolarHBondContact N-O 3.39Å; I9-V25 PolarHBondContact O-N 3.29Å; V14-V25 HydrophobicContact CG2-CG2 3.68Å; V25-I27 HydrophobicContact CG1-CG1 4.28Å; V25-I32 HydrophobicContact CG1-CD1 4.4Å; V25-I32 HydrophobicContact CG1-CG1 4.24Å; V25-I32 HydrophobicContact CG1-CG2 3.86Å; V25-V35 HydrophobicContact CG1-CG2 4.39Å; V25-V35 HydrophobicContact CG2-CG1 4.41Å; V25-V35 HydrophobicContact CG2-CG2 4.47Å; V25-V55 HydrophobicContact CG2-CG1 4Å; V25-I391 HydrophobicContact CG1-CG2 4.21Å; V25-I391 HydrophobicContact CG2-CG2 3.7Å
26Y98.4Very high98.1Very high19 Ų1944.1 Ų44.18%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-96.8127.4175.4-178.4-132.9000110.4R6 I7 E28 V33 E34 I41 V45R6-Y26 HydrophobicContact CB-CE2 4.44Å; I7-Y26 WeakPolarHBondContact O-CD2 3.2Å; Y26-E28 HydrophobicContact CE1-CB 4.36Å; Y26-E28 VanDerWaalsContact OH-CD 3.28Å; Y26-E28 PolarHBondContact OH-OE2 2.84Å; Y26-V33 HydrophobicContact CD1-CB 4.45Å; Y26-V33 HydrophobicContact CD1-CG2 3.08Å; Y26-V33 HydrophobicContact CE1-CG2 3.41Å; Y26-V33 VanDerWaalsContact CE1-CG2 3.41Å; Y26-V33 HydrophobicContact CG-CG2 3.73Å; Y26-V33 VanDerWaalsContact O-CG2 3.27Å; Y26-V33 WeakPolarHBondContact O-CG2 3.5Å; Y26-V33 PolarHBondContact O-N 2.97Å; Y26-E34 PolarHBondContact N-O 3.13Å; Y26-E34 PolarHBondContact O-N 2.86Å; Y26-I41 HydrophobicContact CD1-CG2 4.14Å; Y26-I41 HydrophobicContact CD2-CD1 4.36Å; Y26-I41 HydrophobicContact CD2-CG2 3.98Å; Y26-I41 HydrophobicContact CE2-CG2 4.37Å; Y26-I41 HydrophobicContact CG-CG2 3.91Å; Y26-V45 HydrophobicContact CE2-CG1 4.18Å; Y26-V45 HydrophobicContact CE2-CG2 4.34Å
27I98.2Very high98Very high0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-118.4132-177.6-68.4164.1000108.8R6 I7 I9 V25 K31 I32 A397 V399 I437R6-I27 WeakPolarHBondContact CA-O 3.14Å; I7-I27 HydrophobicContact CB-CB 4.19Å; I7-I27 PolarHBondContact N-O 3.02Å; I7-I27 PolarHBondContact O-N 3.02Å; I9-I27 HydrophobicContact CD1-CD1 4.09Å; V25-I27 HydrophobicContact CG1-CG1 4.28Å; I27-K31 VanDerWaalsContact CA-O 3.31Å; I27-K31 WeakPolarHBondContact CA-O 3.2Å; I27-I32 HydrophobicContact CG1-CG1 4.28Å; I27-A397 HydrophobicContact CB-CB 4.23Å; I27-A397 HydrophobicContact CD1-CB 3.99Å; I27-A397 HydrophobicContact CG1-CB 3.84Å; I27-A397 HydrophobicContact CG2-CB 3.41Å; I27-A397 VanDerWaalsContact CG2-CB 3.41Å; I27-V399 HydrophobicContact CD1-CG2 4.2Å; I27-I437 HydrophobicContact CD1-CD1 4.05Å; I27-I437 HydrophobicContact CD1-CG2 4.38Å
28E96.3Very high97.8Very high59 Ų5952.2 Ų52.228%0.27629%0.293SS..EExtended strand (participates in β ladder)trans-145.1133.9175.7179.6160.5-155.700110R6 Y26 G30 K31 V33R6-E28 HydrophobicContact CG-CB 4.41Å; R6-E28 HydrophobicContact CG-CG 4.01Å; Y26-E28 HydrophobicContact CE1-CB 4.36Å; Y26-E28 VanDerWaalsContact OH-CD 3.28Å; Y26-E28 PolarHBondContact OH-OE2 2.84Å; E28-G30 PolarHBondContact O-N 2.97Å; E28-G30 VanDerWaalsContact O-N 3.14Å; E28-K31 PolarHBondContact N-O 2.84Å; E28-K31 PolarHBondContact O-N 3.4Å; E28-V33 HydrophobicContact CB-CG1 4Å; E28-V33 HydrophobicContact CB-CG2 4.09Å
29N94.3Very high97.7Very high109 Ų10948.5 Ų48.558%0.58327%0.273SS*.THydrogen-bonded Turntrans52.638.7175.2-60.4-39.4000114.1P4 S5 K31P4-N29 WeakPolarHBondContact CB-OD1 3.27Å; S5-N29 PolarHBondContact O-N 3.26Å; S5-N29 VanDerWaalsContact O-N 3.14Å; N29-K31 VanDerWaalsContact C-N 3.34Å
30G96.4Very high97.3Very high15 Ų1553.6 Ų53.616%0.15529%0.29CS..THydrogen-bonded Turntrans82.36.617700000115.4E28 A397 R439E28-G30 PolarHBondContact O-N 2.97Å; E28-G30 VanDerWaalsContact O-N 3.14Å; G30-A397 WeakPolarHBondContact O-CB 3.5Å; G30-A397 PolarHBondContact O-N 3.02Å; G30-R439 WeakPolarHBondContact CA-O 3.45Å
31K98.5Very high96.6Very high79 Ų7953.8 Ų53.834%0.34329%0.287SS..EExtended strand (participates in β ladder)trans-123.8148.9179.3-67.6-62.9-164.1166.20111.5I27 E28 N29 V33 N394 S395 D396I27-K31 VanDerWaalsContact CA-O 3.31Å; I27-K31 WeakPolarHBondContact CA-O 3.2Å; E28-K31 PolarHBondContact N-O 2.84Å; E28-K31 PolarHBondContact O-N 3.4Å; N29-K31 VanDerWaalsContact C-N 3.34Å; K31-V33 PolarHBondContact O-N 2.66Å; K31-N394 PolarHBondContact NZ-O 2.9Å; K31-S395 WeakPolarHBondContact CA-O 3.39Å; K31-S395 WeakPolarHBondContact CD-O 3.16Å; K31-D396 WeakPolarHBondContact CE-OD1 3.18Å; K31-D396 IonicContact NZ-OD1 2.87Å; K31-D396 PolarHBondContact NZ-OD1 2.78Å
32I98.7Very high95.7Very high1 Ų154 Ų541%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-74.8118163.6-60.3173.3000106.8V25 I27 V35 I391 A392 K393 N394 S395 A397 V399V25-I32 HydrophobicContact CG1-CD1 4.4Å; V25-I32 HydrophobicContact CG1-CG1 4.24Å; V25-I32 HydrophobicContact CG1-CG2 3.86Å; I27-I32 HydrophobicContact CG1-CG1 4.28Å; I32-V35 HydrophobicContact CG2-CG2 3.58Å; I32-I391 HydrophobicContact CD1-CB 4.49Å; I32-I391 HydrophobicContact CD1-CD1 4.02Å; I32-I391 HydrophobicContact CD1-CG2 4.18Å; I32-A392 WeakPolarHBondContact CB-O 3.43Å; I32-K393 CarbonylContact O-C 3.57Å; I32-K393 WeakPolarHBondContact O-CA 3.49Å; I32-N394 PolarHBondContact O-N 3.44Å; I32-S395 PolarHBondContact N-O 2.95Å; I32-A397 HydrophobicContact CG1-CB 4.34Å; I32-V399 HydrophobicContact CD1-CG2 4.1Å
33V97.9Very high94.9Very high42 Ų4253.4 Ų53.426%0.25530%0.302SS..EExtended strand (participates in β ladder)trans-102.2-26.5-175.9-69.10000112.4Y26 E28 K31 K393Y26-V33 HydrophobicContact CD1-CB 4.45Å; Y26-V33 HydrophobicContact CD1-CG2 3.08Å; Y26-V33 HydrophobicContact CE1-CG2 3.41Å; Y26-V33 VanDerWaalsContact CE1-CG2 3.41Å; Y26-V33 HydrophobicContact CG-CG2 3.73Å; Y26-V33 VanDerWaalsContact O-CG2 3.27Å; Y26-V33 WeakPolarHBondContact O-CG2 3.5Å; Y26-V33 PolarHBondContact O-N 2.97Å; E28-V33 HydrophobicContact CB-CG1 4Å; E28-V33 HydrophobicContact CB-CG2 4.09Å; K31-V33 PolarHBondContact O-N 2.66Å; V33-K393 VanDerWaalsContact O-CD 3.29Å; V33-K393 WeakPolarHBondContact O-CD 3.31Å; V33-K393 WeakPolarHBondContact O-CE 3.26Å; V33-K393 VanDerWaalsContact O-CG 3.31Å; V33-K393 WeakPolarHBondContact O-CG 3.31Å
34E97.9Very high94.3Very high98 Ų9856.4 Ų56.446%0.45834%0.335SS..EExtended strand (participates in β ladder)trans-153.6143.3178.3-163.8166.7-175.400111.2Y26 L39Y26-E34 PolarHBondContact N-O 3.13Å; Y26-E34 PolarHBondContact O-N 2.86Å; E34-L39 HydrophobicContact CB-CD1 4.19Å; E34-L39 HydrophobicContact CG-CD1 4.13Å; E34-L39 HydrophobicContact CG-CD2 3.8Å
35V98.6Very high94Very high47 Ų4757 Ų5729%0.28534%0.339SS..EExtended strand (participates in β ladder)trans-134.1124.8173.1-1780000106.5V14 D24 V25 I32 I391V14-V35 HydrophobicContact CG2-CG1 4.3Å; D24-V35 WeakPolarHBondContact O-CA 3.4Å; V25-V35 HydrophobicContact CG1-CG2 4.39Å; V25-V35 HydrophobicContact CG2-CG1 4.41Å; V25-V35 HydrophobicContact CG2-CG2 4.47Å; I32-V35 HydrophobicContact CG2-CG2 3.58Å; V35-I391 HydrophobicContact CG2-CG2 4.18Å
36G97.9Very high93.8Very high10 Ų1062 Ų6210%0.10336%0.358CS..EExtended strand (participates in β ladder)trans175169-179.300000113.2D24D24-G36 PolarHBondContact N-O 2.94Å; D24-G36 PolarHBondContact O-N 3.07Å; D24-G36 VanDerWaalsContact O-N 3.07Å
37P97.1Very high93.8Very high94 Ų9465.1 Ų65.161%0.6138%0.379SS*.THydrogen-bonded Turntrans-74.2142.8179.630.8-34.4000111.4L39P37-L39 VanDerWaalsContact C-N 3.35Å; P37-L39 PolarHBondContact O-N 3.15Å
38N94.6Very high93.7Very high122 Ų12265.6 Ų65.665%0.65238%0.381SS*.THydrogen-bonded Turntrans54.343.3168.5-57.8-52.3000114.5D24 Q40D24-N38 PolarHBondContact OD2-N 2.96Å; N38-Q40 PolarHBondContact O-N 2.98Å; N38-Q40 PolarHBondContact O-NE2 2.89Å
39L96Very high93.8Very high14 Ų1468.3 Ų68.37%0.07340%0.398CS..  trans-59.3131.7-177-65.4-178.5000110.9L8 D24 E34 P37 I41L8-L39 HydrophobicContact CD1-CB 4.33Å; L8-L39 HydrophobicContact CD1-CD1 4.35Å; D24-L39 HydrophobicContact CB-CB 4.18Å; D24-L39 HydrophobicContact CB-CD1 3.95Å; D24-L39 HydrophobicContact CB-CG 3.93Å; D24-L39 PolarHBondContact OD2-N 3.34Å; D24-L39 VanDerWaalsContact OD2-N 3.12Å; E34-L39 HydrophobicContact CB-CD1 4.19Å; E34-L39 HydrophobicContact CG-CD1 4.13Å; E34-L39 HydrophobicContact CG-CD2 3.8Å; P37-L39 VanDerWaalsContact C-N 3.35Å; P37-L39 PolarHBondContact O-N 3.15Å; L39-I41 HydrophobicContact CB-CG2 4.43Å
40Q90Very high94Very high174 Ų17463.1 Ų63.181%0.81337%0.37SS*.  trans-99.1110175.3-58.8-57.5-52.900108.1N38N38-Q40 PolarHBondContact O-N 2.98Å; N38-Q40 PolarHBondContact O-NE2 2.89Å
41I84.8Confident94.1Very high43 Ų4365.7 Ų65.722%0.22138%0.383CS..  trans-123156.6-174.755.2155.5000111.9L8 Y26 L39 V45L8-I41 HydrophobicContact CB-CD1 3.42Å; L8-I41 VanDerWaalsContact CB-CD1 3.42Å; L8-I41 HydrophobicContact CD1-CD1 4.06Å; L8-I41 HydrophobicContact CD1-CG2 4.45Å; L8-I41 HydrophobicContact CD2-CD1 3.54Å; L8-I41 HydrophobicContact CD2-CG1 3.91Å; L8-I41 HydrophobicContact CG-CD1 3.84Å; Y26-I41 HydrophobicContact CD1-CG2 4.14Å; Y26-I41 HydrophobicContact CD2-CD1 4.36Å; Y26-I41 HydrophobicContact CD2-CG2 3.98Å; Y26-I41 HydrophobicContact CE2-CG2 4.37Å; Y26-I41 HydrophobicContact CG-CG2 3.91Å; L39-I41 HydrophobicContact CB-CG2 4.43Å; I41-V45 HydrophobicContact CD1-CB 3.67Å; I41-V45 HydrophobicContact CD1-CG1 3.51Å; I41-V45 HydrophobicContact CD1-CG2 4Å
42P80.1Confident94Very high80 Ų8068.1 Ų68.152%0.51940%0.399SS..  trans-59.1157-177.9-23.734.4000113.8V45P42-V45 WeakPolarHBondContact O-CG2 3.28Å
43A81.8Confident94Very high99 Ų9970.2 Ų70.282%0.81841%0.409SS*.THydrogen-bonded Turntrans-62.2152.7171.500000111.9
44G84.9Confident94Very high74 Ų7468.5 Ų68.576%0.76340%0.398SS*.THydrogen-bonded Turntrans82.617.8179.100000114.9
45V93.3Very high94.1Very high19 Ų1963.9 Ų63.912%0.11538%0.376CS..PPolyproline II helixtrans-94.8136.8171.4177.30000109.6R6 L8 Y26 I41 P42 V47R6-V45 HydrophobicContact CB-CB 4.48Å; R6-V45 HydrophobicContact CB-CG1 4.13Å; R6-V45 HydrophobicContact CB-CG2 3.98Å; L8-V45 HydrophobicContact CB-CG1 4.15Å; Y26-V45 HydrophobicContact CE2-CG1 4.18Å; Y26-V45 HydrophobicContact CE2-CG2 4.34Å; I41-V45 HydrophobicContact CD1-CB 3.67Å; I41-V45 HydrophobicContact CD1-CG1 3.51Å; I41-V45 HydrophobicContact CD1-CG2 4Å; P42-V45 WeakPolarHBondContact O-CG2 3.28Å; V45-V47 PolarHBondContact O-N 3.22Å
46R95.2Very high94.1Very high103 Ų10361.7 Ų61.739%0.38936%0.363SS..EExtended strand (participates in β ladder)trans-69.9124.4173.8178.2176.7171.9168.4-2.6109.5R6 I7 L8 E445R6-R46 PolarHBondContact O-N 2.79Å; I7-R46 CarbonylContact C-O 3.57Å; I7-R46 WeakPolarHBondContact CA-O 3.15Å; L8-R46 PolarHBondContact N-O 3.42Å; R46-E445 IonicContact CZ-OE2 2.73Å; R46-E445 IonicContact NH2-OE1 3.51Å; R46-E445 PolarHBondContact NH2-OE1 3.43Å; R46-E445 IonicContact NH2-OE2 3.52Å; R46-E445 PolarHBondContact NH2-OE2 3.13Å
47V96.5Very high94.2Very high86 Ų8661.3 Ų61.352%0.52136%0.359SS..EExtended strand (participates in β ladder)trans-101.6127.3177.6-176.70000109.8L8 K10 V45L8-V47 HydrophobicContact CB-CG2 4.46Å; L8-V47 HydrophobicContact CD2-CG2 4.48Å; L8-V47 CarbonylContact O-C 3.57Å; L8-V47 WeakPolarHBondContact O-CA 3.41Å; K10-V47 HydrophobicContact CB-CG1 4.1Å; V45-V47 PolarHBondContact O-N 3.22Å
48I97.8Very high94.2Very high9 Ų957 Ų575%0.04633%0.331CS..EExtended strand (participates in β ladder)trans-105.8119.4170.8-61.1167.4000107.1I7 L8 I9 K10 A50 V401 V435 I437 V442I7-I48 HydrophobicContact CG2-CD1 3.5Å; I7-I48 VanDerWaalsContact CG2-CD1 3.5Å; I7-I48 HydrophobicContact CG2-CG1 4.11Å; L8-I48 PolarHBondContact O-N 2.55Å; I9-I48 WeakPolarHBondContact CA-O 3.44Å; K10-I48 PolarHBondContact N-O 2.82Å; I48-A50 PolarHBondContact O-N 2.88Å; I48-V401 HydrophobicContact CG2-CG2 4.09Å; I48-V435 HydrophobicContact CD1-CG1 4.16Å; I48-V435 HydrophobicContact CG2-CG2 4.14Å; I48-I437 HydrophobicContact CD1-CD1 3.81Å; I48-I437 HydrophobicContact CD1-CG1 4.49Å; I48-V442 HydrophobicContact CD1-CG2 3.79Å
49N97.5Very high94.4Very high116 Ų11651.2 Ų51.262%0.6230%0.3SS*.EExtended strand (participates in β ladder)trans-79.7114.2176.4-175.43000109.8T51N49-T51 VanDerWaalsContact OD1-CB 3.27Å; N49-T51 WeakPolarHBondContact OD1-CB 3.34Å; N49-T51 PolarHBondContact OD1-N 3.27Å; N49-T51 PolarHBondContact OD1-OG1 3.39Å
50A98.3Very high94.6Very high0 Ų050.6 Ų50.60%030%0.297CS..  trans-109.619.7177.600000112.4I9 K10 G12 I48 D52 K53 V55 V401I9-A50 HydrophobicContact CG2-CB 3.54Å; K10-A50 PolarHBondContact O-N 2.86Å; G12-A50 WeakPolarHBondContact CA-O 3.41Å; I48-A50 PolarHBondContact O-N 2.88Å; A50-D52 PolarHBondContact O-N 3.23Å; A50-K53 HydrophobicContact CB-CB 4.23Å; A50-K53 WeakPolarHBondContact O-CA 3.48Å; A50-K53 VanDerWaalsContact O-CB 3.28Å; A50-K53 WeakPolarHBondContact O-CB 3.41Å; A50-K53 PolarHBondContact O-N 3.42Å; A50-V55 HydrophobicContact CB-CG2 3.94Å; A50-V401 HydrophobicContact CB-CG1 3.97Å
51T97.8Very high95Very high69 Ų6942.3 Ų42.342%0.42326%0.258SS..THydrogen-bonded Turntrans-53.8131.4173.5-55.10000110.1N49 K53N49-T51 VanDerWaalsContact OD1-CB 3.27Å; N49-T51 WeakPolarHBondContact OD1-CB 3.34Å; N49-T51 PolarHBondContact OD1-N 3.27Å; N49-T51 PolarHBondContact OD1-OG1 3.39Å; T51-K53 PolarHBondContact O-N 3.28Å
52D97.2Very high95.7Very high130 Ų13040.2 Ų40.270%0.69525%0.248SC*.THydrogen-bonded Turntrans5728.3-174.7-52.2-41.5000114A50A50-D52 PolarHBondContact O-N 3.23Å
53K98.6Very high96.6Very high46 Ų4636.4 Ų36.420%0.222%0.223CC..  trans-124.6160.2174.5-51.3-68.3163.7-103.40110.7K13 A50 T51 V401 D403K13-K53 PolarHBondContact N-O 3.49Å; A50-K53 HydrophobicContact CB-CB 4.23Å; A50-K53 WeakPolarHBondContact O-CA 3.48Å; A50-K53 VanDerWaalsContact O-CB 3.28Å; A50-K53 WeakPolarHBondContact O-CB 3.41Å; A50-K53 PolarHBondContact O-N 3.42Å; T51-K53 PolarHBondContact O-N 3.28Å; K53-V401 HydrophobicContact CB-CG1 3.71Å; K53-V401 HydrophobicContact CG-CG1 3.95Å; K53-D403 HydrophobicContact CD-CB 3.62Å; K53-D403 WeakPolarHBondContact CD-OD2 3.37Å; K53-D403 WeakPolarHBondContact CE-OD2 3.36Å; K53-D403 IonicContact NZ-OD2 3.22Å; K53-D403 PolarHBondContact NZ-OD2 2.82Å
54L98.9Very high97.4Very high6 Ų631.7 Ų31.73%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-92.1144.5169.5-46.3-176.6000109.5K13 V15 I56 W356 E367 V401 W402 P404K13-L54 HydrophobicContact CB-CD2 4.11Å; K13-L54 HydrophobicContact CD-CD2 4.43Å; K13-L54 CarbonylContact O-C 3.56Å; K13-L54 WeakPolarHBondContact O-CA 3.4Å; V15-L54 HydrophobicContact CG2-CB 4.16Å; V15-L54 HydrophobicContact CG2-CD1 4.33Å; V15-L54 HydrophobicContact CG2-CD2 4.02Å; V15-L54 HydrophobicContact CG2-CG 4.41Å; L54-I56 HydrophobicContact CB-CG2 4.18Å; L54-W356 HydrophobicContact CD1-CH2 3.39Å; L54-W356 HydrophobicContact CD1-CZ2 4.31Å; L54-W356 HydrophobicContact CD1-CZ3 3.9Å; L54-E367 HydrophobicContact CD1-CB 4.49Å; L54-V401 WeakPolarHBondContact O-CA 3.2Å; L54-W402 HydrophobicContact CB-CB 4.22Å; L54-W402 PolarHBondContact N-O 2.79Å; L54-W402 PolarHBondContact O-N 2.72Å; L54-P404 HydrophobicContact CD1-CB 4.36Å; L54-P404 HydrophobicContact CD1-CG 4.43Å; L54-P404 HydrophobicContact CG-CG 4.25Å
55V98.9Very high98.1Very high0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-114.399.3171.9-174.70000106.7I9 K13 V14 V15 V25 A50 V399I9-V55 HydrophobicContact CD1-CG1 4.01Å; I9-V55 HydrophobicContact CG2-CG1 4.32Å; I9-V55 HydrophobicContact CG2-CG2 3.69Å; K13-V55 PolarHBondContact O-N 2.85Å; V14-V55 WeakPolarHBondContact CA-O 3.48Å; V14-V55 HydrophobicContact CG2-CB 4.26Å; V15-V55 PolarHBondContact N-O 2.81Å; V25-V55 HydrophobicContact CG2-CG1 4Å; A50-V55 HydrophobicContact CB-CG2 3.94Å; V55-V399 HydrophobicContact CG1-CG1 3.49Å; V55-V399 VanDerWaalsContact CG1-CG1 3.49Å
56I98.9Very high98.3Very high2 Ų227.8 Ų27.81%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-110.5154.3-173.656.9173.3000110.6V15 L54 G58 M352 F370 V371 V400 W402V15-I56 HydrophobicContact CB-CG2 3.91Å; L54-I56 HydrophobicContact CB-CG2 4.18Å; I56-G58 PolarHBondContact O-N 3.45Å; I56-M352 HydrophobicContact CD1-CE 4.02Å; I56-F370 HydrophobicContact CD1-CE1 4.05Å; I56-V371 HydrophobicContact CB-CG2 4.16Å; I56-V371 HydrophobicContact CG2-CG2 3.8Å; I56-V400 HydrophobicContact CD1-CB 4.27Å; I56-V400 HydrophobicContact CD1-CG1 4.37Å; I56-V400 HydrophobicContact CG1-CB 3.85Å; I56-V400 HydrophobicContact CG1-CG1 4.33Å; I56-V400 PolarHBondContact N-O 3.1Å; I56-V400 PolarHBondContact O-N 2.76Å; I56-W402 HydrophobicContact CD1-CB 3.96Å; I56-W402 HydrophobicContact CD1-CD2 4.2Å; I56-W402 HydrophobicContact CD1-CE3 4.22Å; I56-W402 HydrophobicContact CD1-CG 4.14Å; I56-W402 HydrophobicContact CG1-CB 4.22Å
57P98.9Very high98.4Very high2 Ų223.7 Ų23.71%0.01313%0.13CC..EExtended strand (participates in β ladder)trans-55.9140.8163.6-18.531.3000109.4V15 V371 I391V15-P57 WeakPolarHBondContact O-CD 3.33Å; P57-V371 HydrophobicContact CG-CG1 3.81Å; P57-I391 HydrophobicContact CB-CD1 4.46Å; P57-I391 HydrophobicContact CG-CD1 4.26Å; P57-I391 HydrophobicContact CG-CG1 4.05Å
58G98.9Very high98.4Very high3 Ų320 Ų203%0.03111%0.107CC..PPolyproline II helixtrans-59.3142.7172.100000111.2I56 T92 D398I56-G58 PolarHBondContact O-N 3.45Å; G58-T92 VanDerWaalsContact CA-OG1 3.31Å; G58-T92 WeakPolarHBondContact CA-OG1 3.36Å; G58-D398 PolarHBondContact N-O 3.32Å
59G98.9Very high98.4Very high0 Ų023.3 Ų23.30%014%0.136CC..EExtended strand (participates in β ladder)trans-59.1144.2-179.800000111.7G90 T91 T92 M93G59-G90 PolarHBondContact N-O 2.9Å; G59-T91 CarbonylContact O-C 3.6Å; G59-T91 WeakPolarHBondContact O-CA 3.41Å; G59-T91 WeakPolarHBondContact O-CG2 3.38Å; G59-T92 PolarHBondContact O-N 3.29Å; G59-M93 PolarHBondContact O-N 2.86Å
60I99Very high98.1Very high1 Ų119.4 Ų19.41%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-114.5112.9171.5-60.7159.3000107.2M93 L95 R351 T374 S375 A378 A379 F384 K388I60-M93 WeakPolarHBondContact CA-O 3.43Å; I60-M93 HydrophobicContact CG1-CB 4.1Å; I60-M93 HydrophobicContact CG2-CB 4.29Å; I60-M93 HydrophobicContact CG2-CG 4.37Å; I60-M93 HydrophobicContact CG2-SD 4.31Å; I60-L95 HydrophobicContact CG2-CD1 3.59Å; I60-R351 PolarHBondContact O-NH1 3.25Å; I60-R351 PolarHBondContact O-NH2 3.37Å; I60-T374 PolarHBondContact N-O 3.11Å; I60-T374 VanDerWaalsContact O-O 3.12Å; I60-S375 WeakPolarHBondContact CD1-O 3.49Å; I60-A378 HydrophobicContact CB-CB 3.95Å; I60-A378 HydrophobicContact CD1-CB 4.46Å; I60-A378 HydrophobicContact CG2-CB 3.67Å; I60-A379 HydrophobicContact CD1-CB 3.97Å; I60-F384 HydrophobicContact CD1-CE2 3.84Å; I60-F384 HydrophobicContact CG2-CZ 4.35Å; I60-K388 HydrophobicContact CD1-CB 4.11Å
61D98.9Very high97.7Very high0 Ų022.3 Ų22.30%013%0.128CC..EExtended strand (participates in β ladder)trans-86.5116.6174.2-170.2-19000109.3H63 T64 T91 M93 I94 L95 G320 T321D61-H63 VanDerWaalsContact C-N 3.3Å; D61-H63 PolarHBondContact OD1-N 2.93Å; D61-T64 HydrophobicContact CB-CG2 4.26Å; D61-T91 HydrophobicContact CB-CG2 3.91Å; D61-M93 PolarHBondContact N-O 3.46Å; D61-I94 HydrophobicContact CB-CG2 4.3Å; D61-I94 CarbonylContact O-C 3.52Å; D61-I94 WeakPolarHBondContact O-CA 3.38Å; D61-L95 PolarHBondContact O-N 3.05Å; D61-G320 WeakPolarHBondContact OD1-CA 3.14Å; D61-T321 PolarHBondContact OD1-N 2.96Å; D61-T321 PolarHBondContact OD1-OG1 3.39Å; D61-T321 WeakPolarHBondContact OD2-CB 3.43Å; D61-T321 WeakPolarHBondContact OD2-CG2 3.38Å; D61-T321 PolarHBondContact OD2-OG1 2.93Å
62T98.9Very high97.3Very high0 Ų023 Ų230%015%0.148CC..EExtended strand (participates in β ladder)trans-84.5-3.6-175.749.70000113.7H128 Y241 E267 V318 T319 G320 A378 F382T62-H128 PolarHBondContact O-NE2 3.38Å; T62-H128 VanDerWaalsContact O-NE2 3.14Å; T62-Y241 PolarHBondContact OG1-OH 2.83Å; T62-E267 WeakPolarHBondContact CB-OE2 3.32Å; T62-E267 PolarHBondContact OG1-OE2 3.04Å; T62-V318 HydrophobicContact CG2-CG2 3.91Å; T62-T319 PolarHBondContact OG1-O 3.48Å; T62-G320 PolarHBondContact OG1-N 2.79Å; T62-A378 HydrophobicContact CG2-CB 3.36Å; T62-F382 HydrophobicContact CG2-CD2 4.12Å; T62-F382 HydrophobicContact CG2-CE2 3.57Å
63H98.9Very high97.3Very high0 Ų018.5 Ų18.50%013%0.126CC..EExtended strand (participates in β ladder)trans-148.195.2-172.1-157.1146.2000112.6D61 H65 F97 K155 H244 E267 T321 D322 N323D61-H63 VanDerWaalsContact C-N 3.3Å; D61-H63 PolarHBondContact OD1-N 2.93Å; H63-H65 AromaticContact CD2-NE2 3.32Å; H63-H65 PolarHBondContact CD2-NE2 3.5Å; H63-H65 VanDerWaalsContact CD2-NE2 3.32Å; H63-H65 AromaticContact NE2-CE1 3.88Å; H63-H65 AromaticContact NE2-NE2 3.15Å; H63-H65 PolarHBondContact NE2-NE2 3.17Å; H63-H65 VanDerWaalsContact NE2-NE2 3.15Å; H63-F97 HydrophobicContact CB-CE2 4.31Å; H63-F97 AromaticContact CD2-CD2 3.76Å; H63-F97 AromaticContact CD2-CE2 3.22Å; H63-F97 WeakPolarHBondContact CD2-CE2 3.28Å; H63-F97 AromaticContact CG-CE2 3.69Å; H63-F97 AromaticContact NE2-CD2 3.94Å; H63-F97 AromaticContact NE2-CE2 3.42Å; H63-F97 WeakPolarHBondContact NE2-CE2 3.34Å; H63-K155 PolarHBondContact NE2-NZ 3.35Å; H63-K155 VanDerWaalsContact NE2-NZ 3.18Å; H63-H244 AromaticContact CE1-CD2 3.3Å; H63-H244 PolarHBondContact CE1-CD2 3.05Å; H63-H244 AromaticContact CE1-CG 3.97Å; H63-H244 AromaticContact NE2-CD2 3.98Å; H63-E267 IonicContact CE1-OE1 3.84Å; H63-E267 IonicContact CG-OE1 2.73Å; H63-E267 IonicContact ND1-OE1 3.99Å; H63-E267 PolarHBondContact ND1-OE1 3.26Å; H63-E267 IonicContact ND1-OE2 3.17Å; H63-T321 PolarHBondContact O-N 2.77Å; H63-T321 PolarHBondContact O-OG1 3.44Å; H63-D322 IonicContact CD2-OD1 3.88Å; H63-D322 PolarHBondContact CD2-OD1 2.87Å; H63-D322 IonicContact CE1-OD1 3.52Å; H63-D322 IonicContact NE2-OD1 3.57Å; H63-D322 PolarHBondContact NE2-OD1 3.4Å; H63-D322 VanDerWaalsContact O-CA 3.25Å; H63-D322 WeakPolarHBondContact O-CA 3.33Å; H63-D322 PolarHBondContact O-N 3.24Å; H63-N323 PolarHBondContact O-N 3.25Å
64T98.9Very high97.3Very high0 Ų021 Ų210%014%0.137CC..EExtended strand (participates in β ladder)trans-129.3157.5172.7670000112.3D61 M66 I94 L95 D96 F97 N323 V348D61-T64 HydrophobicContact CB-CG2 4.26Å; T64-M66 HydrophobicContact CG2-CE 3.94Å; T64-I94 HydrophobicContact CG2-CB 3.95Å; T64-I94 HydrophobicContact CG2-CG2 4.06Å; T64-L95 PolarHBondContact N-O 2.78Å; T64-L95 VanDerWaalsContact N-O 3.12Å; T64-L95 PolarHBondContact OG1-O 2.87Å; T64-D96 WeakPolarHBondContact CB-OD2 3.41Å; T64-D96 WeakPolarHBondContact O-CA 3.21Å; T64-D96 VanDerWaalsContact O-OD2 3.08Å; T64-D96 WeakPolarHBondContact OG1-CA 3.19Å; T64-D96 WeakPolarHBondContact OG1-CB 3.05Å; T64-D96 PolarHBondContact OG1-OD2 3Å; T64-F97 PolarHBondContact O-N 3.1Å; T64-N323 HydrophobicContact CG2-CB 4.5Å; T64-V348 HydrophobicContact CG2-CG2 4.41Å
65H98.8Very high97.2Very high10 Ų1021 Ų215%0.04614%0.137CC..  trans-135.569171.8-58.9-79.6000109.8H63 E67 L68 D96 F97 D322 N323 C324H63-H65 AromaticContact CD2-NE2 3.32Å; H63-H65 PolarHBondContact CD2-NE2 3.5Å; H63-H65 VanDerWaalsContact CD2-NE2 3.32Å; H63-H65 AromaticContact NE2-CE1 3.88Å; H63-H65 AromaticContact NE2-NE2 3.15Å; H63-H65 PolarHBondContact NE2-NE2 3.17Å; H63-H65 VanDerWaalsContact NE2-NE2 3.15Å; H65-E67 PolarHBondContact O-N 3.45Å; H65-L68 HydrophobicContact CB-CB 3.93Å; H65-L68 HydrophobicContact CB-CD2 3.92Å; H65-D96 WeakPolarHBondContact CA-OD2 3.47Å; H65-D96 PolarHBondContact N-OD2 3.13Å; H65-F97 AromaticContact CE1-CD2 3.37Å; H65-F97 WeakPolarHBondContact CE1-CD2 3.48Å; H65-F97 AromaticContact CE1-CG 3.73Å; H65-F97 AromaticContact ND1-CD2 4Å; H65-F97 AromaticContact NE2-CD2 3.9Å; H65-D322 IonicContact CD2-OD1 3.25Å; H65-D322 PolarHBondContact CD2-OD1 2.82Å; H65-D322 IonicContact NE2-OD1 3.68Å; H65-D322 PolarHBondContact NE2-OD1 3.49Å; H65-N323 CarbonylContact C-O 3.09Å; H65-N323 PolarHBondContact N-O 3.02Å; H65-C324 HydrophobicContact CB-CB 3.86Å
66M98.6Very high97.2Very high1 Ų123 Ų231%0.00515%0.149CC..THydrogen-bonded Turntrans-68.3129.6179.5-58.3-56.1-178.500110.1T64 L68 D77 F79 I94 D96 V348T64-M66 HydrophobicContact CG2-CE 3.94Å; M66-L68 PolarHBondContact O-N 3.5Å; M66-D77 CarbonylContact C-O 3.49Å; M66-D77 WeakPolarHBondContact CA-O 3.4Å; M66-D77 HydrophobicContact SD-CB 4.27Å; M66-F79 HydrophobicContact CB-CD1 3.74Å; M66-F79 HydrophobicContact CB-CD2 4.17Å; M66-F79 HydrophobicContact CB-CE1 3.78Å; M66-F79 HydrophobicContact CB-CE2 4.19Å; M66-F79 HydrophobicContact CB-CG 3.93Å; M66-F79 HydrophobicContact CB-CZ 3.99Å; M66-F79 HydrophobicContact CG-CD1 3.98Å; M66-F79 HydrophobicContact CG-CE1 4.09Å; M66-I94 HydrophobicContact CE-CD1 3.88Å; M66-I94 HydrophobicContact CE-CG2 4.48Å; M66-I94 HydrophobicContact CG-CD1 3.87Å; M66-D96 WeakPolarHBondContact CG-OD2 3.36Å; M66-D96 PolarHBondContact N-OD2 2.83Å; M66-V348 HydrophobicContact CE-CB 4.35Å; M66-V348 HydrophobicContact CE-CG1 4.4Å; M66-V348 HydrophobicContact CE-CG2 3.93Å
67E97.4Very high97.2Very high16 Ų1622.9 Ų22.98%0.07515%0.149CC..THydrogen-bonded Turntrans46.933.5179.163.5174.6102.800114.6H65 A69 K74 D77 D78 F79 T116 K120H65-E67 PolarHBondContact O-N 3.45Å; E67-A69 PolarHBondContact O-N 3.25Å; E67-K74 HydrophobicContact CB-CD 4.39Å; E67-K74 WeakPolarHBondContact O-CE 3.36Å; E67-K74 WeakPolarHBondContact O-CG 3.25Å; E67-K74 IonicContact OE2-NZ 2.78Å; E67-K74 PolarHBondContact OE2-NZ 3.09Å; E67-D77 PolarHBondContact N-O 2.83Å; E67-D78 HydrophobicContact CB-CB 3.83Å; E67-D78 HydrophobicContact CG-CB 4.25Å; E67-D78 WeakPolarHBondContact OE1-CB 3.35Å; E67-F79 HydrophobicContact CG-CD2 3.72Å; E67-F79 HydrophobicContact CG-CE2 3.92Å; E67-F79 WeakPolarHBondContact OE1-CD2 3.45Å; E67-F79 PolarHBondContact OE1-N 2.78Å; E67-T116 HydrophobicContact CG-CG2 4.37Å; E67-T116 WeakPolarHBondContact OE2-CG2 3.05Å; E67-K120 WeakPolarHBondContact OE1-CD 3.42Å; E67-K120 IonicContact OE1-NZ 2.55Å; E67-K120 PolarHBondContact OE1-NZ 3.28Å; E67-K120 IonicContact OE2-NZ 2.82Å; E67-K120 PolarHBondContact OE2-NZ 3.48Å
68L97.1Very high97.2Very high10 Ų1024.4 Ų24.45%0.05216%0.157CC..  trans-67.3129177.4175.966.9000110.7H65 M66 F70 K74 A75 I99 W113H65-L68 HydrophobicContact CB-CB 3.93Å; H65-L68 HydrophobicContact CB-CD2 3.92Å; M66-L68 PolarHBondContact O-N 3.5Å; L68-F70 HydrophobicContact CD2-CB 3.86Å; L68-F70 HydrophobicContact CD2-CG 4.3Å; L68-F70 HydrophobicContact CG-CB 3.91Å; L68-F70 PolarHBondContact O-N 3.1Å; L68-K74 CarbonylContact O-C 3.52Å; L68-K74 VanDerWaalsContact O-CA 3.32Å; L68-K74 WeakPolarHBondContact O-CA 3.44Å; L68-A75 PolarHBondContact O-N 2.92Å; L68-I99 HydrophobicContact CD1-CB 4.35Å; L68-I99 HydrophobicContact CD1-CD1 4.04Å; L68-I99 HydrophobicContact CD1-CG1 4.42Å; L68-I99 HydrophobicContact CD2-CD1 3.95Å; L68-W113 HydrophobicContact CD1-CH2 3.84Å; L68-W113 HydrophobicContact CD1-CZ2 3.85Å
69A96.5Very high97.2Very high78 Ų7824.4 Ų24.465%0.64516%0.156SC*.EExtended strand (participates in β ladder)trans-81.4107.5167.800000109.7E67 T73E67-A69 PolarHBondContact O-N 3.25Å; A69-T73 CarbonylContact C-O 3.57Å; A69-T73 WeakPolarHBondContact CA-O 3.14Å
70F91.8Very high97.2Very high33 Ų3327.1 Ų27.115%0.14517%0.168CC..EExtended strand (participates in β ladder)trans-148.5143.6-173-176.2-117.9000111.7L68 G72 T73 Y160 F164 F326 N343L68-F70 HydrophobicContact CD2-CB 3.86Å; L68-F70 HydrophobicContact CD2-CG 4.3Å; L68-F70 HydrophobicContact CG-CB 3.91Å; L68-F70 PolarHBondContact O-N 3.1Å; F70-G72 PolarHBondContact O-N 3.42Å; F70-G72 VanDerWaalsContact O-N 3.1Å; F70-T73 PolarHBondContact N-O 3.34Å; F70-T73 PolarHBondContact O-N 3.06Å; F70-T73 VanDerWaalsContact O-N 3.15Å; F70-Y160 HydrophobicContact CZ-CE1 4.01Å; F70-F164 HydrophobicContact CE2-CE2 4.01Å; F70-F326 HydrophobicContact CB-CZ 4.41Å; F70-F326 HydrophobicContact CD1-CZ 4.46Å; F70-N343 HydrophobicContact CE1-CB 4.13Å
71M90.4Very high97.2Very high62 Ų6230.1 Ų30.131%0.30518%0.184SC..THydrogen-bonded Turntrans47.540.4178.6-66-178.97400114.5T339 I341 P342 N343M71-T339 WeakPolarHBondContact CE-O 3.13Å; M71-I341 WeakPolarHBondContact CE-O 3.36Å; M71-P342 HydrophobicContact CB-CB 4.24Å; M71-N343 HydrophobicContact SD-CB 4.26Å
72G89.2Confident97.2Very high82 Ų8230.1 Ų30.185%0.84518%0.184SC*.THydrogen-bonded Turntrans89.11.317300000115.7F70F70-G72 PolarHBondContact O-N 3.42Å; F70-G72 VanDerWaalsContact O-N 3.1Å
73T96.7Very high97.2Very high37 Ų3730.1 Ų30.123%0.22718%0.184CC..EExtended strand (participates in β ladder)trans-145.1-173.4176.6-172.60000111A69 F70 F326 Q330 L333 P342A69-T73 CarbonylContact C-O 3.57Å; A69-T73 WeakPolarHBondContact CA-O 3.14Å; F70-T73 PolarHBondContact N-O 3.34Å; F70-T73 PolarHBondContact O-N 3.06Å; F70-T73 VanDerWaalsContact O-N 3.15Å; T73-F326 HydrophobicContact CG2-CD1 3.56Å; T73-F326 HydrophobicContact CG2-CE1 3.61Å; T73-Q330 HydrophobicContact CG2-CB 4.27Å; T73-Q330 HydrophobicContact CG2-CG 4.37Å; T73-Q330 PolarHBondContact OG1-NE2 3.1Å; T73-L333 HydrophobicContact CG2-CD1 4.1Å; T73-P342 HydrophobicContact CG2-CB 4.14Å; T73-P342 HydrophobicContact CG2-CG 4.21Å
74K97.7Very high97.2Very high99 Ų9932.8 Ų32.843%0.4320%0.195SC..EExtended strand (participates in β ladder)trans-120.8138.1-179.4-160.7-176.9-166.6-155.60110.6E67 L68 Q330E67-K74 HydrophobicContact CB-CD 4.39Å; E67-K74 WeakPolarHBondContact O-CE 3.36Å; E67-K74 WeakPolarHBondContact O-CG 3.25Å; E67-K74 IonicContact OE2-NZ 2.78Å; E67-K74 PolarHBondContact OE2-NZ 3.09Å; L68-K74 CarbonylContact O-C 3.52Å; L68-K74 VanDerWaalsContact O-CA 3.32Å; L68-K74 WeakPolarHBondContact O-CA 3.44Å; K74-Q330 PolarHBondContact O-NE2 2.92Å
75A98.3Very high97.1Very high6 Ų632.8 Ų32.85%0.0520%0.195CC..  trans-58.2142.2174.700000111.2L68 T325 F326L68-A75 PolarHBondContact O-N 2.92Å; A75-T325 CarbonylContact C-O 3.52Å; A75-T325 WeakPolarHBondContact CA-O 3.43Å; A75-T325 WeakPolarHBondContact CB-O 3.29Å; A75-F326 HydrophobicContact CB-CE1 4.36Å; A75-F326 HydrophobicContact CB-CZ 4.39Å
76V98.6Very high97.2Very high41 Ų4132.3 Ų32.325%0.24819%0.193CC..SBendtrans-83.3-31.3-172.1-66.30000113.3D78 T325 A418 V419V76-D78 PolarHBondContact O-N 3.2Å; V76-T325 WeakPolarHBondContact CG2-OG1 3.46Å; V76-T325 PolarHBondContact N-O 2.87Å; V76-A418 HydrophobicContact CB-CB 4.12Å; V76-A418 HydrophobicContact CG2-CB 4.13Å; V76-A418 WeakPolarHBondContact O-CB 3.42Å; V76-V419 HydrophobicContact CG2-CB 3.87Å; V76-V419 HydrophobicContact CG2-CG2 4.42Å
77D98.6Very high97.2Very high0 Ų032.3 Ų32.30%019%0.193CC..SBendtrans-73.6105.5167.7-74.7-59000109.5M66 E67 T325 Q417 A418M66-D77 CarbonylContact C-O 3.49Å; M66-D77 WeakPolarHBondContact CA-O 3.4Å; M66-D77 HydrophobicContact SD-CB 4.27Å; E67-D77 PolarHBondContact N-O 2.83Å; D77-T325 WeakPolarHBondContact CB-OG1 3.33Å; D77-T325 VanDerWaalsContact CG-OG1 3.28Å; D77-T325 PolarHBondContact N-OG1 3.44Å; D77-T325 WeakPolarHBondContact OD2-CB 3.48Å; D77-T325 WeakPolarHBondContact OD2-CG2 3.44Å; D77-T325 PolarHBondContact OD2-OG1 3.27Å; D77-Q417 WeakPolarHBondContact OD1-CA 3.3Å; D77-A418 PolarHBondContact OD1-N 2.98Å
78D98.8Very high97.2Very high34 Ų3431.8 Ų31.818%0.18219%0.191CC..  trans-85.7174.8172.891.4-20.6000112.2E67 V76 H80 I81 G82 K120E67-D78 HydrophobicContact CB-CB 3.83Å; E67-D78 HydrophobicContact CG-CB 4.25Å; E67-D78 WeakPolarHBondContact OE1-CB 3.35Å; V76-D78 PolarHBondContact O-N 3.2Å; D78-H80 PolarHBondContact O-N 2.91Å; D78-H80 WeakPolarHBondContact OD1-CA 3.47Å; D78-H80 WeakPolarHBondContact OD1-CB 3.27Å; D78-H80 PolarHBondContact OD1-N 2.81Å; D78-I81 PolarHBondContact O-N 3.4Å; D78-I81 PolarHBondContact OD1-N 2.91Å; D78-G82 WeakPolarHBondContact O-CA 3.39Å; D78-G82 PolarHBondContact O-N 2.89Å; D78-K120 IonicContact OD2-NZ 3.72Å; D78-K120 PolarHBondContact OD2-NZ 3.02Å
79F98.9Very high97.3Very high2 Ų231.4 Ų31.41%0.00919%0.19CC..Hα-helixtrans-58.6-25.6-178.9-80.5-72.7000113.2M66 E67 T83 I94 D96 W113 T116 A117 K120 V121M66-F79 HydrophobicContact CB-CD1 3.74Å; M66-F79 HydrophobicContact CB-CD2 4.17Å; M66-F79 HydrophobicContact CB-CE1 3.78Å; M66-F79 HydrophobicContact CB-CE2 4.19Å; M66-F79 HydrophobicContact CB-CG 3.93Å; M66-F79 HydrophobicContact CB-CZ 3.99Å; M66-F79 HydrophobicContact CG-CD1 3.98Å; M66-F79 HydrophobicContact CG-CE1 4.09Å; E67-F79 HydrophobicContact CG-CD2 3.72Å; E67-F79 HydrophobicContact CG-CE2 3.92Å; E67-F79 WeakPolarHBondContact OE1-CD2 3.45Å; E67-F79 PolarHBondContact OE1-N 2.78Å; F79-T83 WeakPolarHBondContact O-CB 3.48Å; F79-T83 WeakPolarHBondContact O-CG2 3.22Å; F79-T83 PolarHBondContact O-N 2.85Å; F79-T83 PolarHBondContact O-OG1 3.46Å; F79-I94 HydrophobicContact CD1-CD1 4.28Å; F79-I94 HydrophobicContact CE1-CD1 4.41Å; F79-D96 HydrophobicContact CE1-CB 3.94Å; F79-D96 HydrophobicContact CZ-CB 4.19Å; F79-W113 AromaticContact CZ-CD1 3.69Å; F79-W113 AromaticContact CZ-NE1 3.83Å; F79-T116 HydrophobicContact CD2-CG2 4.11Å; F79-T116 HydrophobicContact CE2-CG2 4.38Å; F79-A117 HydrophobicContact CD1-CB 3.73Å; F79-A117 HydrophobicContact CD2-CB 3.79Å; F79-A117 HydrophobicContact CE1-CB 3.78Å; F79-A117 HydrophobicContact CE2-CB 3.85Å; F79-A117 HydrophobicContact CG-CB 3.75Å; F79-A117 HydrophobicContact CZ-CB 3.85Å; F79-K120 HydrophobicContact CB-CB 3.68Å; F79-K120 HydrophobicContact CB-CD 4.11Å; F79-V121 HydrophobicContact CB-CG1 4.07Å; F79-V121 HydrophobicContact CD1-CG1 3.84Å; F79-V121 HydrophobicContact CG-CG1 4.28Å
80H98.9Very high97.4Very high58 Ų5827.7 Ų27.727%0.26916%0.159SC..Hα-helixtrans-81-56.2179173.9-146.3000111D78 T83 K84 K120 C122D78-H80 PolarHBondContact O-N 2.91Å; D78-H80 WeakPolarHBondContact OD1-CA 3.47Å; D78-H80 WeakPolarHBondContact OD1-CB 3.27Å; D78-H80 PolarHBondContact OD1-N 2.81Å; H80-T83 PolarHBondContact O-OG1 3.12Å; H80-K84 WeakPolarHBondContact O-CG 3.36Å; H80-K84 PolarHBondContact O-N 3.34Å; H80-K84 VanDerWaalsContact O-N 3.11Å; H80-K120 WeakPolarHBondContact CA-O 3.28Å; H80-K120 HydrophobicContact CB-CB 4.09Å; H80-C122 VanDerWaalsContact CD2-SG 3.57Å
81I98.8Very high97.8Very high64 Ų6426.1 Ų26.133%0.32815%0.152SC..Hα-helixtrans-66.9-45.3-178.5-60178.3000110.4D78 T83 K84 A85 H416 A418D78-I81 PolarHBondContact O-N 3.4Å; D78-I81 PolarHBondContact OD1-N 2.91Å; I81-T83 PolarHBondContact O-N 3.27Å; I81-K84 WeakPolarHBondContact O-CB 3.44Å; I81-K84 PolarHBondContact O-N 3.35Å; I81-K84 VanDerWaalsContact O-N 3.15Å; I81-A85 WeakPolarHBondContact O-CB 3.23Å; I81-A85 PolarHBondContact O-N 3.41Å; I81-H416 WeakPolarHBondContact CG2-O 3.43Å; I81-A418 HydrophobicContact CD1-CB 4.1Å; I81-A418 HydrophobicContact CG2-CB 4.01Å
82G98.8Very high98.2Very high0 Ų023.2 Ų23.20%014%0.138CC..Hα-helixtrans-61.4-39.3-179.400000113.3D78 A85 A86D78-G82 WeakPolarHBondContact O-CA 3.39Å; D78-G82 PolarHBondContact O-N 2.89Å; G82-A85 PolarHBondContact O-N 2.74Å; G82-A86 PolarHBondContact O-N 3.19Å
83T98.9Very high98.7Very high0 Ų019.3 Ų19.30%010%0.098CC..Hα-helixtrans-76-29175.457.30000113.1F79 H80 I81 A86 L87 I94 V121 C122F79-T83 WeakPolarHBondContact O-CB 3.48Å; F79-T83 WeakPolarHBondContact O-CG2 3.22Å; F79-T83 PolarHBondContact O-N 2.85Å; F79-T83 PolarHBondContact O-OG1 3.46Å; H80-T83 PolarHBondContact O-OG1 3.12Å; I81-T83 PolarHBondContact O-N 3.27Å; T83-A86 WeakPolarHBondContact O-CB 3.18Å; T83-A86 PolarHBondContact O-N 3.16Å; T83-L87 VanDerWaalsContact O-CG 3.31Å; T83-L87 WeakPolarHBondContact O-CG 3.39Å; T83-L87 PolarHBondContact O-N 2.81Å; T83-L87 VanDerWaalsContact O-N 3.08Å; T83-I94 HydrophobicContact CG2-CD1 3.56Å; T83-I94 HydrophobicContact CG2-CG1 4.15Å; T83-V121 HydrophobicContact CG2-CB 4.23Å; T83-V121 HydrophobicContact CG2-CG1 4.07Å; T83-C122 WeakPolarHBondContact OG1-CB 3.5Å; T83-C122 PolarHBondContact OG1-N 3.04Å
84K98.8Very high98.8Very high56 Ų5617.6 Ų17.624%0.2439%0.087CC..Hα-helixtrans-63.5-45167.9-76.5-175.167.3-177.90111.1H80 I81 A86 L87 A88 C122 F449 V451H80-K84 WeakPolarHBondContact O-CG 3.36Å; H80-K84 PolarHBondContact O-N 3.34Å; H80-K84 VanDerWaalsContact O-N 3.11Å; I81-K84 WeakPolarHBondContact O-CB 3.44Å; I81-K84 PolarHBondContact O-N 3.35Å; I81-K84 VanDerWaalsContact O-N 3.15Å; K84-A86 VanDerWaalsContact C-N 3.33Å; K84-A86 PolarHBondContact O-N 3.38Å; K84-L87 PolarHBondContact O-N 3.11Å; K84-A88 PolarHBondContact O-N 3.4Å; K84-C122 HydrophobicContact CG-CB 4.16Å; K84-F449 HydrophobicContact CB-CD1 4.45Å; K84-F449 HydrophobicContact CB-CE1 3.99Å; K84-F449 HydrophobicContact CB-CZ 4.21Å; K84-F449 VanDerWaalsContact CE-CG 3.47Å; K84-F449 WeakPolarHBondContact O-CE1 3.29Å; K84-V451 HydrophobicContact CG-CG1 4.19Å
85A98.9Very high98.8Very high0 Ų012.9 Ų12.90%07%0.067CC..Hα-helixtrans-60.7-42.4176.100000111.8I81 G82 L87 A88 G89 V348 E349 H416 Q417I81-A85 WeakPolarHBondContact O-CB 3.23Å; I81-A85 PolarHBondContact O-N 3.41Å; G82-A85 PolarHBondContact O-N 2.74Å; A85-L87 VanDerWaalsContact C-N 3.35Å; A85-L87 PolarHBondContact O-N 2.73Å; A85-A88 PolarHBondContact O-N 3.24Å; A85-G89 PolarHBondContact O-N 3.37Å; A85-V348 HydrophobicContact CB-CG1 3.97Å; A85-E349 HydrophobicContact CB-CB 4.15Å; A85-E349 WeakPolarHBondContact O-CA 3.39Å; A85-E349 WeakPolarHBondContact O-CB 3.42Å; A85-E349 WeakPolarHBondContact O-CG 3.17Å; A85-H416 HydrophobicContact CB-CB 4.28Å; A85-Q417 HydrophobicContact CB-CB 4.49Å; A85-Q417 HydrophobicContact CB-CG 3.56Å
86A98.9Very high98.9Very high0 Ų012.6 Ų12.60%06%0.064CC..Hα-helixtrans-54.1-49.7172.200000111.9G82 T83 K84 A88 G89 G90 T91 I94 V348G82-A86 PolarHBondContact O-N 3.19Å; T83-A86 WeakPolarHBondContact O-CB 3.18Å; T83-A86 PolarHBondContact O-N 3.16Å; K84-A86 VanDerWaalsContact C-N 3.33Å; K84-A86 PolarHBondContact O-N 3.38Å; A86-A88 PolarHBondContact O-N 3.07Å; A86-G89 CarbonylContact O-C 3.59Å; A86-G89 WeakPolarHBondContact O-CA 3.4Å; A86-G89 PolarHBondContact O-N 3.03Å; A86-G90 PolarHBondContact O-N 2.85Å; A86-T91 CarbonylContact C-O 3.55Å; A86-T91 HydrophobicContact CB-CG2 4.01Å; A86-T91 WeakPolarHBondContact O-CA 3.37Å; A86-T91 WeakPolarHBondContact O-CB 3.49Å; A86-T91 PolarHBondContact O-N 2.88Å; A86-T91 VanDerWaalsContact O-O 3.04Å; A86-I94 HydrophobicContact CB-CG2 4.22Å; A86-V348 HydrophobicContact CB-CG2 3.62Å
87L98.9Very high98.9Very high0 Ų010.6 Ų10.60%05%0.053CC..Hα-helixtrans-63.2-40.9-179.5-71.3172000112.8T83 K84 A85 G89 G90 T91 T92 C122 C123 T436 V443 V451T83-L87 VanDerWaalsContact O-CG 3.31Å; T83-L87 WeakPolarHBondContact O-CG 3.39Å; T83-L87 PolarHBondContact O-N 2.81Å; T83-L87 VanDerWaalsContact O-N 3.08Å; K84-L87 PolarHBondContact O-N 3.11Å; A85-L87 VanDerWaalsContact C-N 3.35Å; A85-L87 PolarHBondContact O-N 2.73Å; L87-G89 PolarHBondContact O-N 2.73Å; L87-G90 PolarHBondContact O-N 2.87Å; L87-G90 VanDerWaalsContact O-N 3.16Å; L87-T91 WeakPolarHBondContact CA-O 3.42Å; L87-T91 PolarHBondContact N-O 3.16Å; L87-T92 HydrophobicContact CD2-CG2 4.24Å; L87-C122 HydrophobicContact CD1-CB 3.8Å; L87-C123 HydrophobicContact CD1-CB 4.17Å; L87-C123 HydrophobicContact CD2-CB 3.68Å; L87-C123 HydrophobicContact CG-CB 3.91Å; L87-T436 HydrophobicContact CB-CG2 4.45Å; L87-T436 HydrophobicContact CD2-CG2 3.8Å; L87-T436 WeakPolarHBondContact O-CB 3.42Å; L87-T436 WeakPolarHBondContact O-CG2 3.03Å; L87-T436 PolarHBondContact O-OG1 2.89Å; L87-V443 HydrophobicContact CB-CG2 4.44Å; L87-V443 HydrophobicContact CD1-CB 4.18Å; L87-V443 HydrophobicContact CD1-CG2 3.9Å; L87-V443 HydrophobicContact CD2-CG2 3.7Å; L87-V443 HydrophobicContact CG-CG2 4.23Å; L87-V451 HydrophobicContact CD1-CG1 4.2Å; L87-V451 HydrophobicContact CD1-CG2 4.31Å
88A98.9Very high98.9Very high5 Ų510.6 Ų10.64%0.0415%0.053CC..Hα-helixtrans-64-28.9174.400000112.4K84 A85 A86 H416 P433 Y444 F449K84-A88 PolarHBondContact O-N 3.4Å; A85-A88 PolarHBondContact O-N 3.24Å; A86-A88 PolarHBondContact O-N 3.07Å; A88-H416 HydrophobicContact CB-CB 4.48Å; A88-H416 WeakPolarHBondContact CB-ND1 3.47Å; A88-P433 WeakPolarHBondContact O-CG 3.5Å; A88-Y444 HydrophobicContact CB-CD2 4.11Å; A88-Y444 HydrophobicContact CB-CE1 4.36Å; A88-Y444 HydrophobicContact CB-CE2 3.82Å; A88-Y444 HydrophobicContact CB-CG 4.49Å; A88-F449 HydrophobicContact CB-CE1 3.92Å; A88-F449 HydrophobicContact CB-CZ 3.75Å
89G98.8Very high98.8Very high2 Ų210.1 Ų10.12%0.0215%0.05CC..THydrogen-bonded Turntrans-82.7-2.3174.400000115.8A85 A86 L87 E349 M352A85-G89 PolarHBondContact O-N 3.37Å; A86-G89 CarbonylContact O-C 3.59Å; A86-G89 WeakPolarHBondContact O-CA 3.4Å; A86-G89 PolarHBondContact O-N 3.03Å; L87-G89 PolarHBondContact O-N 2.73Å; G89-E349 WeakPolarHBondContact CA-O 3.28Å; G89-M352 WeakPolarHBondContact O-CB 3.49Å; G89-M352 VanDerWaalsContact O-CG 3.26Å; G89-M352 WeakPolarHBondContact O-CG 3.4Å
90G98.9Very high98.7Very high0 Ų010.2 Ų10.20%05%0.05CC..THydrogen-bonded Turntrans78.616.3-174.400000114.5G59 A86 L87 V400G59-G90 PolarHBondContact N-O 2.9Å; A86-G90 PolarHBondContact O-N 2.85Å; L87-G90 PolarHBondContact O-N 2.87Å; L87-G90 VanDerWaalsContact O-N 3.16Å; G90-V400 WeakPolarHBondContact O-CG2 3.07Å
91T99Very high98.5Very high0 Ų014.1 Ų14.10%07%0.069CC..EExtended strand (participates in β ladder)trans-96125.7168.8-67.70000109.2G59 D61 A86 L87 M93 I94 R351G59-T91 CarbonylContact O-C 3.6Å; G59-T91 WeakPolarHBondContact O-CA 3.41Å; G59-T91 WeakPolarHBondContact O-CG2 3.38Å; D61-T91 HydrophobicContact CB-CG2 3.91Å; A86-T91 CarbonylContact C-O 3.55Å; A86-T91 HydrophobicContact CB-CG2 4.01Å; A86-T91 WeakPolarHBondContact O-CA 3.37Å; A86-T91 WeakPolarHBondContact O-CB 3.49Å; A86-T91 PolarHBondContact O-N 2.88Å; A86-T91 VanDerWaalsContact O-O 3.04Å; L87-T91 WeakPolarHBondContact CA-O 3.42Å; L87-T91 PolarHBondContact N-O 3.16Å; T91-M93 VanDerWaalsContact CG2-O 3.3Å; T91-M93 WeakPolarHBondContact CG2-O 3.5Å; T91-I94 HydrophobicContact CG2-CG2 4.44Å; T91-R351 PolarHBondContact OG1-NH2 3.35Å
92T98.9Very high98.4Very high2 Ų216.7 Ų16.71%0.0128%0.078CC..EExtended strand (participates in β ladder)trans-112.5-1.7-17657.40000113.6G58 G59 L87 C123 D124 D398 T436G58-T92 VanDerWaalsContact CA-OG1 3.31Å; G58-T92 WeakPolarHBondContact CA-OG1 3.36Å; G59-T92 PolarHBondContact O-N 3.29Å; L87-T92 HydrophobicContact CD2-CG2 4.24Å; T92-C123 WeakPolarHBondContact O-CB 3.44Å; T92-D124 PolarHBondContact O-N 3.47Å; T92-D398 HydrophobicContact CG2-CB 4.39Å; T92-T436 HydrophobicContact CG2-CG2 3.62Å
93M98.9Very high98.3Very high0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-145.9140.7171.9-175.4178.2179.100111.4G59 I60 D61 T91 L95 D124 F384 K388 V459G59-M93 PolarHBondContact O-N 2.86Å; I60-M93 WeakPolarHBondContact CA-O 3.43Å; I60-M93 HydrophobicContact CG1-CB 4.1Å; I60-M93 HydrophobicContact CG2-CB 4.29Å; I60-M93 HydrophobicContact CG2-CG 4.37Å; I60-M93 HydrophobicContact CG2-SD 4.31Å; D61-M93 PolarHBondContact N-O 3.46Å; T91-M93 VanDerWaalsContact CG2-O 3.3Å; T91-M93 WeakPolarHBondContact CG2-O 3.5Å; M93-L95 HydrophobicContact CE-CD1 3.83Å; M93-L95 HydrophobicContact CE-CG 4.34Å; M93-L95 HydrophobicContact CG-CD1 4.23Å; M93-L95 HydrophobicContact SD-CD1 4.28Å; M93-D124 VanDerWaalsContact CA-O 3.24Å; M93-D124 WeakPolarHBondContact CA-O 3.21Å; M93-F384 HydrophobicContact CE-CE1 4.01Å; M93-F384 HydrophobicContact CE-CE2 4.17Å; M93-F384 HydrophobicContact CE-CZ 3.74Å; M93-F384 HydrophobicContact SD-CD2 4.39Å; M93-F384 HydrophobicContact SD-CE2 3.65Å; M93-F384 HydrophobicContact SD-CZ 3.75Å; M93-K388 HydrophobicContact SD-CD 3.56Å; M93-K388 VanDerWaalsContact SD-CD 3.56Å; M93-V459 HydrophobicContact CE-CB 3.88Å; M93-V459 HydrophobicContact CE-CG1 4.38Å; M93-V459 HydrophobicContact CE-CG2 3.91Å; M93-V459 HydrophobicContact SD-CG2 4.43Å
94I98.9Very high98.2Very high0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-117.8147.5169.966169.3000110.9D61 T64 M66 F79 T83 A86 T91 D124 Y125 S126 V348D61-I94 HydrophobicContact CB-CG2 4.3Å; D61-I94 CarbonylContact O-C 3.52Å; D61-I94 WeakPolarHBondContact O-CA 3.38Å; T64-I94 HydrophobicContact CG2-CB 3.95Å; T64-I94 HydrophobicContact CG2-CG2 4.06Å; M66-I94 HydrophobicContact CE-CD1 3.88Å; M66-I94 HydrophobicContact CE-CG2 4.48Å; M66-I94 HydrophobicContact CG-CD1 3.87Å; F79-I94 HydrophobicContact CD1-CD1 4.28Å; F79-I94 HydrophobicContact CE1-CD1 4.41Å; T83-I94 HydrophobicContact CG2-CD1 3.56Å; T83-I94 HydrophobicContact CG2-CG1 4.15Å; A86-I94 HydrophobicContact CB-CG2 4.22Å; T91-I94 HydrophobicContact CG2-CG2 4.44Å; I94-D124 PolarHBondContact N-O 3Å; I94-Y125 CarbonylContact O-C 3.2Å; I94-Y125 WeakPolarHBondContact O-CA 3.49Å; I94-Y125 WeakPolarHBondContact O-CB 3.35Å; I94-S126 PolarHBondContact O-N 2.92Å; I94-V348 HydrophobicContact CG2-CG2 4.18Å
95L98.9Very high98.2Very high0 Ų022.6 Ų22.60%012%0.119CC..EExtended strand (participates in β ladder)trans-115.6114.5166.7-71.575000108.7I60 D61 T64 M93 S126 H128 F382 F384I60-L95 HydrophobicContact CG2-CD1 3.59Å; D61-L95 PolarHBondContact O-N 3.05Å; T64-L95 PolarHBondContact N-O 2.78Å; T64-L95 VanDerWaalsContact N-O 3.12Å; T64-L95 PolarHBondContact OG1-O 2.87Å; M93-L95 HydrophobicContact CE-CD1 3.83Å; M93-L95 HydrophobicContact CE-CG 4.34Å; M93-L95 HydrophobicContact CG-CD1 4.23Å; M93-L95 HydrophobicContact SD-CD1 4.28Å; L95-S126 WeakPolarHBondContact CA-O 3.41Å; L95-H128 VanDerWaalsContact CB-NE2 3.33Å; L95-H128 WeakPolarHBondContact CB-NE2 3.49Å; L95-H128 VanDerWaalsContact CD2-CE1 3.45Å; L95-H128 WeakPolarHBondContact CD2-CE1 3.36Å; L95-F382 HydrophobicContact CD2-CB 4.05Å; L95-F382 HydrophobicContact CD2-CD1 4.3Å; L95-F382 HydrophobicContact CD2-CD2 3.62Å; L95-F382 HydrophobicContact CD2-CE2 4.14Å; L95-F382 HydrophobicContact CD2-CG 3.71Å; L95-F384 HydrophobicContact CD1-CZ 4.32Å
96D98.9Very high98.2Very high0 Ų022.6 Ų22.60%012%0.119CC..EExtended strand (participates in β ladder)trans-104.4155.4-172.5-157-96.4000111.5T64 H65 M66 F79 W113 S126 L127 H128T64-D96 WeakPolarHBondContact CB-OD2 3.41Å; T64-D96 WeakPolarHBondContact O-CA 3.21Å; T64-D96 VanDerWaalsContact O-OD2 3.08Å; T64-D96 WeakPolarHBondContact OG1-CA 3.19Å; T64-D96 WeakPolarHBondContact OG1-CB 3.05Å; T64-D96 PolarHBondContact OG1-OD2 3Å; H65-D96 WeakPolarHBondContact CA-OD2 3.47Å; H65-D96 PolarHBondContact N-OD2 3.13Å; M66-D96 WeakPolarHBondContact CG-OD2 3.36Å; M66-D96 PolarHBondContact N-OD2 2.83Å; F79-D96 HydrophobicContact CE1-CB 3.94Å; F79-D96 HydrophobicContact CZ-CB 4.19Å; D96-W113 PolarHBondContact OD1-NE1 3.39Å; D96-S126 PolarHBondContact N-O 3.5Å; D96-L127 HydrophobicContact CB-CD2 3.88Å; D96-L127 CarbonylContact O-C 3.56Å; D96-L127 VanDerWaalsContact O-CA 3.32Å; D96-L127 WeakPolarHBondContact O-CA 3.48Å; D96-H128 PolarHBondContact O-N 2.78Å
97F98.9Very high98.2Very high0 Ų024.3 Ų24.30%013%0.128CC..EExtended strand (participates in β ladder)trans-98.2119.9-179.8-70.9-86.3000112.4H63 T64 H65 I99 W113 H128 K155 V243H63-F97 HydrophobicContact CB-CE2 4.31Å; H63-F97 AromaticContact CD2-CD2 3.76Å; H63-F97 AromaticContact CD2-CE2 3.22Å; H63-F97 WeakPolarHBondContact CD2-CE2 3.28Å; H63-F97 AromaticContact CG-CE2 3.69Å; H63-F97 AromaticContact NE2-CD2 3.94Å; H63-F97 AromaticContact NE2-CE2 3.42Å; H63-F97 WeakPolarHBondContact NE2-CE2 3.34Å; T64-F97 PolarHBondContact O-N 3.1Å; H65-F97 AromaticContact CE1-CD2 3.37Å; H65-F97 WeakPolarHBondContact CE1-CD2 3.48Å; H65-F97 AromaticContact CE1-CG 3.73Å; H65-F97 AromaticContact ND1-CD2 4Å; H65-F97 AromaticContact NE2-CD2 3.9Å; F97-I99 HydrophobicContact CB-CD1 4.23Å; F97-I99 HydrophobicContact CB-CG1 3.98Å; F97-I99 PolarHBondContact O-N 3.4Å; F97-W113 WeakPolarHBondContact O-CZ2 3.44Å; F97-W113 PolarHBondContact O-NE1 3.07Å; F97-H128 HydrophobicContact CD1-CB 3.33Å; F97-H128 HydrophobicContact CE1-CB 3.28Å; F97-H128 AromaticContact CE1-CD2 3.47Å; F97-H128 VanDerWaalsContact CE1-CD2 3.47Å; F97-H128 WeakPolarHBondContact CE1-CD2 3.34Å; F97-H128 AromaticContact CE1-CG 3.52Å; F97-H128 AromaticContact CE2-CD2 3.7Å; F97-H128 HydrophobicContact CG-CB 4.13Å; F97-H128 HydrophobicContact CZ-CB 4.09Å; F97-H128 AromaticContact CZ-CD2 3.3Å; F97-H128 WeakPolarHBondContact CZ-CD2 3.39Å; F97-H128 AromaticContact CZ-CG 3.86Å; F97-K155 HydrophobicContact CD1-CB 3.81Å; F97-K155 HydrophobicContact CD1-CD 3.35Å; F97-K155 HydrophobicContact CD1-CG 4.2Å; F97-K155 HydrophobicContact CE1-CB 3.68Å; F97-K155 HydrophobicContact CE1-CD 3.25Å; F97-K155 HydrophobicContact CE1-CG 4.02Å; F97-K155 HydrophobicContact CE2-CD 4.49Å; F97-K155 HydrophobicContact CG-CD 4.08Å; F97-K155 HydrophobicContact CZ-CD 3.86Å; F97-V243 HydrophobicContact CZ-CG1 4.41Å
98V98.8Very high98.2Very high0 Ų030.7 Ų30.70%016%0.158CC..EExtended strand (participates in β ladder)trans-74.9118.4161.7-176.50000108.3P100 A109 Y110 W113 L127 H128 V129 A130V98-P100 WeakPolarHBondContact O-CD 3.25Å; V98-A109 VanDerWaalsContact CG1-C 3.4Å; V98-A109 HydrophobicContact CG1-CB 3.59Å; V98-Y110 HydrophobicContact CG2-CD2 4.48Å; V98-W113 HydrophobicContact CB-CD2 4.39Å; V98-W113 HydrophobicContact CB-CG 4.39Å; V98-W113 HydrophobicContact CG1-CD2 4.29Å; V98-W113 HydrophobicContact CG1-CE3 4.08Å; V98-W113 HydrophobicContact CG1-CG 4.5Å; V98-W113 HydrophobicContact CG2-CB 3.74Å; V98-W113 HydrophobicContact CG2-CD2 4.27Å; V98-W113 HydrophobicContact CG2-CG 3.76Å; V98-L127 HydrophobicContact CG2-CB 4.06Å; V98-L127 HydrophobicContact CG2-CD1 3.89Å; V98-L127 HydrophobicContact CG2-CD2 4.18Å; V98-L127 HydrophobicContact CG2-CG 4.27Å; V98-H128 PolarHBondContact N-O 3.33Å; V98-V129 HydrophobicContact CB-CB 4.49Å; V98-V129 HydrophobicContact CB-CG1 4.43Å; V98-V129 HydrophobicContact CB-CG2 4.1Å; V98-V129 HydrophobicContact CG2-CG2 4.18Å; V98-A130 WeakPolarHBondContact O-CB 3.48Å; V98-A130 PolarHBondContact O-N 2.76Å
99I98Very high98.2Very high23 Ų2331.2 Ų31.212%0.11816%0.162CC..  trans-118.192.3-177.9-53-178.2000110.5L68 F97 A130 T132 F164L68-I99 HydrophobicContact CD1-CB 4.35Å; L68-I99 HydrophobicContact CD1-CD1 4.04Å; L68-I99 HydrophobicContact CD1-CG1 4.42Å; L68-I99 HydrophobicContact CD2-CD1 3.95Å; F97-I99 HydrophobicContact CB-CD1 4.23Å; F97-I99 HydrophobicContact CB-CG1 3.98Å; F97-I99 PolarHBondContact O-N 3.4Å; I99-A130 HydrophobicContact CG1-CB 4.3Å; I99-A130 HydrophobicContact CG2-CB 4.43Å; I99-T132 HydrophobicContact CG2-CG2 4.34Å; I99-F164 HydrophobicContact CG2-CE1 4.01Å; I99-F164 HydrophobicContact CG2-CE2 4.32Å; I99-F164 HydrophobicContact CG2-CZ 3.82Å
100P96.8Very high98.2Very high4 Ų431.3 Ų31.33%0.02616%0.162CC..PPolyproline II helixtrans-69.6144.517328.1-32.4000111.1V98 K104 L106 A109 A130 T132V98-P100 WeakPolarHBondContact O-CD 3.25Å; P100-K104 HydrophobicContact CB-CB 4.47Å; P100-L106 HydrophobicContact CG-CD1 4.31Å; P100-L106 HydrophobicContact CG-CG 4.25Å; P100-A109 HydrophobicContact CB-CB 3.84Å; P100-A130 WeakPolarHBondContact CD-O 3.47Å; P100-A130 VanDerWaalsContact CG-O 3.3Å; P100-A130 WeakPolarHBondContact CG-O 3.33Å; P100-T132 WeakPolarHBondContact O-CG2 3.29Å; P100-T132 PolarHBondContact O-OG1 3.05Å
101Q94.4Very high98.2Very high140 Ų14034 Ų3465%0.65418%0.176SC*.PPolyproline II helixtrans-66151.6166.5-64.7178.97.100110.2G103 K104Q101-G103 PolarHBondContact O-N 3.31Å; Q101-K104 HydrophobicContact CB-CG 3.93Å; Q101-K104 VanDerWaalsContact O-CB 3.32Å; Q101-K104 WeakPolarHBondContact O-CB 3.24Å; Q101-K104 PolarHBondContact O-N 3.43Å
102K95.1Very high98.2Very high118 Ų11835.6 Ų35.651%0.51319%0.19SC..THydrogen-bonded Turntrans-52.7128.9176176.4153.9-171.7174.40111.2W133K102-W133 HydrophobicContact CD-CB 4.46Å; K102-W133 HydrophobicContact CG-CB 3.95Å
103G96.9Very high98.1Very high48 Ų4837.6 Ų37.650%0.49520%0.197SC..THydrogen-bonded Turntrans80.48-177.800000115.3Q101 W133Q101-G103 PolarHBondContact O-N 3.31Å; G103-W133 VanDerWaalsContact N-CD1 3.25Å
104K98Very high98.1Very high117 Ų11740.2 Ų40.251%0.50921%0.207SC..SBendtrans-100.8151.2173.1-60.1-59.9-174.7-179.80111.6P100 Q101 W133P100-K104 HydrophobicContact CB-CB 4.47Å; Q101-K104 HydrophobicContact CB-CG 3.93Å; Q101-K104 VanDerWaalsContact O-CB 3.32Å; Q101-K104 WeakPolarHBondContact O-CB 3.24Å; Q101-K104 PolarHBondContact O-N 3.43Å; K104-W133 PolarHBondContact O-NE1 2.82Å
105S98.7Very high98.1Very high15 Ų1548.8 Ų48.811%0.10524%0.239CC..  trans-59.7133.2174.4162.90000111.3L107 E108 A109 E141S105-L107 VanDerWaalsContact C-N 3.35Å; S105-L107 PolarHBondContact OG-N 3.19Å; S105-E108 PolarHBondContact OG-N 3Å; S105-A109 PolarHBondContact O-N 2.87Å; S105-E141 WeakPolarHBondContact CA-OE2 3.35Å; S105-E141 VanDerWaalsContact CB-OE1 3.28Å; S105-E141 WeakPolarHBondContact CB-OE1 3.42Å; S105-E141 PolarHBondContact OG-OE1 3.48Å
106L98.8Very high98.1Very high0 Ų051.2 Ų51.20%025%0.254CS..Hα-helixtrans-70.3-35.8174-76.558.3000110.4P100 Y110 V129 V131 V138 E141 M142 L145P100-L106 HydrophobicContact CG-CD1 4.31Å; P100-L106 HydrophobicContact CG-CG 4.25Å; L106-Y110 WeakPolarHBondContact O-CB 3.35Å; L106-Y110 PolarHBondContact O-N 2.83Å; L106-V129 HydrophobicContact CB-CG1 4.12Å; L106-V129 HydrophobicContact CD2-CG1 4.29Å; L106-V129 HydrophobicContact CG-CG1 4.15Å; L106-V131 HydrophobicContact CD2-CG2 4.26Å; L106-V138 HydrophobicContact CD1-CG1 4.22Å; L106-V138 HydrophobicContact CD1-CG2 3.96Å; L106-V138 HydrophobicContact CD2-CG1 3.94Å; L106-E141 HydrophobicContact CB-CB 4.21Å; L106-E141 WeakPolarHBondContact CB-OE2 3.4Å; L106-E141 PolarHBondContact N-OE2 3.46Å; L106-M142 HydrophobicContact CD2-CG 3.97Å; L106-L145 HydrophobicContact CB-CD1 3.89Å; L106-L145 HydrophobicContact CD2-CD1 4.34Å
107L98.8Very high98Very high37 Ų3751.2 Ų51.219%0.19425%0.254CS..Hα-helixtrans-68.3-43.1179.2-69.8172.8000111.9S105 A109 Y110 D111 E141 T144 L145 K149S105-L107 VanDerWaalsContact C-N 3.35Å; S105-L107 PolarHBondContact OG-N 3.19Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 3.31Å; L107-Y110 PolarHBondContact O-N 3.15Å; L107-D111 PolarHBondContact O-N 3.17Å; L107-E141 HydrophobicContact CD1-CB 4.31Å; L107-E141 HydrophobicContact CD1-CG 3.88Å; L107-E141 HydrophobicContact CG-CB 4.08Å; L107-E141 HydrophobicContact CG-CG 4.02Å; L107-T144 HydrophobicContact CD1-CG2 4.13Å; L107-T144 HydrophobicContact CD2-CG2 3.84Å; L107-L145 HydrophobicContact CD2-CD2 3.89Å; L107-L145 HydrophobicContact CD2-CG 3.78Å; L107-K149 HydrophobicContact CD2-CG 4.34Å
108E98.7Very high98Very high133 Ų13353.9 Ų53.962%0.62127%0.269SS*.Hα-helixtrans-61.7-43.9176.1-71.6-178.3169.600111.6S105 D111 A112S105-E108 PolarHBondContact OG-N 3Å; E108-D111 PolarHBondContact O-N 2.63Å; E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 2.95Å
109A98.7Very high98Very high16 Ų1657.3 Ų57.313%0.13230%0.296CS..Hα-helixtrans-63.3-42.7176.300000111.4V98 P100 S105 L107 A112 W113V98-A109 VanDerWaalsContact CG1-C 3.4Å; V98-A109 HydrophobicContact CG1-CB 3.59Å; P100-A109 HydrophobicContact CB-CB 3.84Å; S105-A109 PolarHBondContact O-N 2.87Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 3.31Å; A109-A112 PolarHBondContact O-N 2.93Å; A109-W113 PolarHBondContact O-N 2.63Å
110Y98.9Very high98Very high4 Ų458.8 Ų58.82%0.01630%0.302CS..Hα-helixtrans-60.9-48.3176168.4-88.4000111.8V98 L106 L107 A112 W113 R114 L127 V129 L145 K149 V151 F458V98-Y110 HydrophobicContact CG2-CD2 4.48Å; L106-Y110 WeakPolarHBondContact O-CB 3.35Å; L106-Y110 PolarHBondContact O-N 2.83Å; L107-Y110 PolarHBondContact O-N 3.15Å; Y110-A112 VanDerWaalsContact C-N 3.28Å; Y110-A112 PolarHBondContact O-N 3.37Å; Y110-W113 PolarHBondContact O-N 3.21Å; Y110-R114 HydrophobicContact CD1-CG 4.21Å; Y110-R114 HydrophobicContact CD2-CG 4.44Å; Y110-R114 HydrophobicContact CE1-CG 3.64Å; Y110-R114 HydrophobicContact CE2-CG 3.92Å; Y110-R114 VanDerWaalsContact CZ-CG 3.48Å; Y110-R114 WeakPolarHBondContact O-CG 3.45Å; Y110-R114 PolarHBondContact O-N 3.2Å; Y110-R114 PolarHBondContact OH-NH1 2.87Å; Y110-L127 HydrophobicContact CD2-CD1 3.97Å; Y110-L127 HydrophobicContact CE2-CB 4.44Å; Y110-L127 HydrophobicContact CE2-CD1 3.82Å; Y110-V129 HydrophobicContact CD2-CG2 4.28Å; Y110-L145 HydrophobicContact CD1-CD2 4.25Å; Y110-L145 HydrophobicContact CD2-CD2 3.87Å; Y110-L145 HydrophobicContact CG-CD2 3.72Å; Y110-K149 HydrophobicContact CD1-CB 4.45Å; Y110-K149 HydrophobicContact CD1-CD 4.28Å; Y110-K149 HydrophobicContact CD1-CG 4.41Å; Y110-K149 HydrophobicContact CE1-CB 3.87Å; Y110-K149 HydrophobicContact CE1-CD 3.74Å; Y110-K149 HydrophobicContact CE1-CG 4.06Å; Y110-K149 HydrophobicContact CE2-CB 4.31Å; Y110-K149 PolarHBondContact OH-O 3.2Å; Y110-V151 HydrophobicContact CD2-CG2 4.16Å; Y110-V151 HydrophobicContact CE2-CG2 3.85Å; Y110-F458 HydrophobicContact CE2-CE2 4.45Å; Y110-F458 HydrophobicContact CE2-CZ 4.28Å; Y110-F458 WeakPolarHBondContact OH-CZ 3.48Å
111D98.8Very high98.1Very high56 Ų5658.6 Ų58.630%0.29930%0.301SS..Hα-helixtrans-65.3-34.4-179.8-73.4-19.9000110.9L107 E108 R115 K149L107-D111 PolarHBondContact O-N 3.17Å; E108-D111 PolarHBondContact O-N 2.63Å; D111-R115 WeakPolarHBondContact O-CB 3.48Å; D111-R115 WeakPolarHBondContact O-CG 3.4Å; D111-R115 PolarHBondContact O-N 2.79Å; D111-K149 IonicContact OD1-NZ 2.61Å; D111-K149 PolarHBondContact OD1-NZ 2.96Å; D111-K149 IonicContact OD2-NZ 2.9Å
112A98.4Very high98.4Very high35 Ų3552 Ų5229%0.28927%0.27SS..Hα-helixtrans-65.3-43.4172.700000112.7E108 A109 Y110 R115 T116E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 2.95Å; A109-A112 PolarHBondContact O-N 2.93Å; Y110-A112 VanDerWaalsContact C-N 3.28Å; Y110-A112 PolarHBondContact O-N 3.37Å; A112-R115 PolarHBondContact O-N 3.22Å; A112-T116 PolarHBondContact O-N 2.93Å; A112-T116 VanDerWaalsContact O-N 3.12Å; A112-T116 PolarHBondContact O-OG1 2.89Å
113W98.7Very high98.5Very high43 Ų4346.3 Ų46.316%0.16325%0.246CC..Hα-helixtrans-62.5-46.8175.3-116.7-104.3000111.5L68 F79 D96 F97 V98 A109 Y110 R115 T116 A117 L127L68-W113 HydrophobicContact CD1-CH2 3.84Å; L68-W113 HydrophobicContact CD1-CZ2 3.85Å; F79-W113 AromaticContact CZ-CD1 3.69Å; F79-W113 AromaticContact CZ-NE1 3.83Å; D96-W113 PolarHBondContact OD1-NE1 3.39Å; F97-W113 WeakPolarHBondContact O-CZ2 3.44Å; F97-W113 PolarHBondContact O-NE1 3.07Å; V98-W113 HydrophobicContact CB-CD2 4.39Å; V98-W113 HydrophobicContact CB-CG 4.39Å; V98-W113 HydrophobicContact CG1-CD2 4.29Å; V98-W113 HydrophobicContact CG1-CE3 4.08Å; V98-W113 HydrophobicContact CG1-CG 4.5Å; V98-W113 HydrophobicContact CG2-CB 3.74Å; V98-W113 HydrophobicContact CG2-CD2 4.27Å; V98-W113 HydrophobicContact CG2-CG 3.76Å; A109-W113 PolarHBondContact O-N 2.63Å; Y110-W113 PolarHBondContact O-N 3.21Å; W113-R115 PolarHBondContact O-N 2.96Å; W113-T116 WeakPolarHBondContact O-CB 3.21Å; W113-T116 PolarHBondContact O-N 3.3Å; W113-T116 VanDerWaalsContact O-N 3.11Å; W113-A117 WeakPolarHBondContact O-CB 3.42Å; W113-A117 PolarHBondContact O-N 2.85Å; W113-L127 HydrophobicContact CB-CD1 4.14Å
114R98.7Very high98.6Very high56 Ų5644.1 Ų44.121%0.21122%0.222CC..Hα-helixtrans-58-46.9176.5-75.5-63.7-53.3-79.4-9.9112.3Y110 T116 A117 D118 Y125 L127Y110-R114 HydrophobicContact CD1-CG 4.21Å; Y110-R114 HydrophobicContact CD2-CG 4.44Å; Y110-R114 HydrophobicContact CE1-CG 3.64Å; Y110-R114 HydrophobicContact CE2-CG 3.92Å; Y110-R114 VanDerWaalsContact CZ-CG 3.48Å; Y110-R114 WeakPolarHBondContact O-CG 3.45Å; Y110-R114 PolarHBondContact O-N 3.2Å; Y110-R114 PolarHBondContact OH-NH1 2.87Å; R114-T116 PolarHBondContact O-N 2.86Å; R114-A117 PolarHBondContact O-N 2.72Å; R114-D118 IonicContact CZ-OD1 3.38Å; R114-D118 IonicContact CZ-OD2 3.66Å; R114-D118 IonicContact NE-OD1 3.75Å; R114-D118 PolarHBondContact NE-OD1 3.15Å; R114-D118 IonicContact NE-OD2 2.72Å; R114-D118 PolarHBondContact NE-OD2 2.57Å; R114-D118 VanDerWaalsContact NE-OD2 3.17Å; R114-D118 IonicContact NH2-OD1 2.69Å; R114-D118 IonicContact NH2-OD2 3.26Å; R114-D118 PolarHBondContact NH2-OD2 3.32Å; R114-D118 WeakPolarHBondContact O-CB 3.36Å; R114-D118 VanDerWaalsContact O-CG 3.24Å; R114-D118 PolarHBondContact O-N 2.61Å; R114-Y125 VanDerWaalsContact CD-OH 3.29Å; R114-Y125 WeakPolarHBondContact CD-OH 3.24Å; R114-Y125 PolarHBondContact NE-OH 3.48Å; R114-Y125 VanDerWaalsContact NE-OH 3.14Å; R114-L127 HydrophobicContact CG-CD1 3.87Å
115R98.3Very high98.7Very high179 Ų17938.5 Ų38.568%0.67520%0.198SC*.Hα-helixtrans-58-36.2175.8-78.7-172.9-64.5-113.2-0.2112.5D111 A112 W113D111-R115 WeakPolarHBondContact O-CB 3.48Å; D111-R115 WeakPolarHBondContact O-CG 3.4Å; D111-R115 PolarHBondContact O-N 2.79Å; A112-R115 PolarHBondContact O-N 3.22Å; W113-R115 PolarHBondContact O-N 2.96Å
116T98.2Very high98.7Very high51 Ų5137.8 Ų37.831%0.31319%0.193SC..Hα-helixtrans-75.4-49.7-179.5-54.40000111.4E67 F79 A112 W113 R114 K120E67-T116 HydrophobicContact CG-CG2 4.37Å; E67-T116 WeakPolarHBondContact OE2-CG2 3.05Å; F79-T116 HydrophobicContact CD2-CG2 4.11Å; F79-T116 HydrophobicContact CE2-CG2 4.38Å; A112-T116 PolarHBondContact O-N 2.93Å; A112-T116 VanDerWaalsContact O-N 3.12Å; A112-T116 PolarHBondContact O-OG1 2.89Å; W113-T116 WeakPolarHBondContact O-CB 3.21Å; W113-T116 PolarHBondContact O-N 3.3Å; W113-T116 VanDerWaalsContact O-N 3.11Å; R114-T116 PolarHBondContact O-N 2.86Å; T116-K120 WeakPolarHBondContact O-CG 3.29Å
117A98.6Very high98.7Very high0 Ų037.8 Ų37.80%019%0.193CC..Hα-helixtrans-74.4-42.8-174.100000113.2F79 W113 R114 A119 K120 V121 Y125F79-A117 HydrophobicContact CD1-CB 3.73Å; F79-A117 HydrophobicContact CD2-CB 3.79Å; F79-A117 HydrophobicContact CE1-CB 3.78Å; F79-A117 HydrophobicContact CE2-CB 3.85Å; F79-A117 HydrophobicContact CG-CB 3.75Å; F79-A117 HydrophobicContact CZ-CB 3.85Å; W113-A117 WeakPolarHBondContact O-CB 3.42Å; W113-A117 PolarHBondContact O-N 2.85Å; R114-A117 PolarHBondContact O-N 2.72Å; A117-A119 PolarHBondContact O-N 2.7Å; A117-K120 PolarHBondContact O-N 3.03Å; A117-V121 HydrophobicContact CB-CG1 4.14Å; A117-V121 WeakPolarHBondContact O-CG1 3.39Å; A117-V121 WeakPolarHBondContact O-CG2 3.24Å; A117-V121 PolarHBondContact O-N 2.9Å; A117-Y125 HydrophobicContact CB-CD2 4.29Å; A117-Y125 HydrophobicContact CB-CE1 4.31Å; A117-Y125 HydrophobicContact CB-CE2 3.52Å
118D98.8Very high98.7Very high57 Ų5736 Ų3631%0.30518%0.184SC..THydrogen-bonded Turntrans-57.7-30-173-79.1-19.2000113.3R114 Y125 G454R114-D118 IonicContact CZ-OD1 3.38Å; R114-D118 IonicContact CZ-OD2 3.66Å; R114-D118 IonicContact NE-OD1 3.75Å; R114-D118 PolarHBondContact NE-OD1 3.15Å; R114-D118 IonicContact NE-OD2 2.72Å; R114-D118 PolarHBondContact NE-OD2 2.57Å; R114-D118 VanDerWaalsContact NE-OD2 3.17Å; R114-D118 IonicContact NH2-OD1 2.69Å; R114-D118 IonicContact NH2-OD2 3.26Å; R114-D118 PolarHBondContact NH2-OD2 3.32Å; R114-D118 WeakPolarHBondContact O-CB 3.36Å; R114-D118 VanDerWaalsContact O-CG 3.24Å; R114-D118 PolarHBondContact O-N 2.61Å; D118-Y125 WeakPolarHBondContact OD1-CE1 3.26Å; D118-Y125 PolarHBondContact OD1-OH 2.91Å; D118-G454 WeakPolarHBondContact O-CA 3.48Å
119A98.1Very high98.7Very high71 Ų7129.7 Ų29.759%0.58715%0.154SC*.THydrogen-bonded Turntrans-83.8-12.8178.300000113.9A117 P453 G454A117-A119 PolarHBondContact O-N 2.7Å; A119-P453 CarbonylContact O-C 3.59Å; A119-G454 PolarHBondContact O-N 3.01Å
120K98.8Very high98.7Very high54 Ų5429 Ų2924%0.23515%0.148CC..THydrogen-bonded Turntrans-118.4-36.1-165.9-72.2-173.4175.6-165.20114.4E67 D78 F79 H80 T116 A117 C122 P453 G454E67-K120 WeakPolarHBondContact OE1-CD 3.42Å; E67-K120 IonicContact OE1-NZ 2.55Å; E67-K120 PolarHBondContact OE1-NZ 3.28Å; E67-K120 IonicContact OE2-NZ 2.82Å; E67-K120 PolarHBondContact OE2-NZ 3.48Å; D78-K120 IonicContact OD2-NZ 3.72Å; D78-K120 PolarHBondContact OD2-NZ 3.02Å; F79-K120 HydrophobicContact CB-CB 3.68Å; F79-K120 HydrophobicContact CB-CD 4.11Å; H80-K120 WeakPolarHBondContact CA-O 3.28Å; H80-K120 HydrophobicContact CB-CB 4.09Å; T116-K120 WeakPolarHBondContact O-CG 3.29Å; A117-K120 PolarHBondContact O-N 3.03Å; K120-C122 PolarHBondContact O-N 3.19Å; K120-P453 VanDerWaalsContact O-CA 3.3Å; K120-P453 WeakPolarHBondContact O-CA 3.2Å; K120-P453 WeakPolarHBondContact O-CB 3.44Å; K120-G454 PolarHBondContact O-N 3.11Å
121V98.8Very high98.7Very high0 Ų028.8 Ų28.80%015%0.147CC..  trans-61.1132-170.9-68.30000113F79 T83 A117 Y125 G454 Q455 G456F79-V121 HydrophobicContact CB-CG1 4.07Å; F79-V121 HydrophobicContact CD1-CG1 3.84Å; F79-V121 HydrophobicContact CG-CG1 4.28Å; T83-V121 HydrophobicContact CG2-CB 4.23Å; T83-V121 HydrophobicContact CG2-CG1 4.07Å; A117-V121 HydrophobicContact CB-CG1 4.14Å; A117-V121 WeakPolarHBondContact O-CG1 3.39Å; A117-V121 WeakPolarHBondContact O-CG2 3.24Å; A117-V121 PolarHBondContact O-N 2.9Å; V121-Y125 HydrophobicContact CB-CD1 4.22Å; V121-Y125 HydrophobicContact CG1-CD1 3.86Å; V121-Y125 HydrophobicContact CG1-CE1 4.21Å; V121-Y125 HydrophobicContact CG1-CG 4.08Å; V121-Y125 HydrophobicContact CG2-CD1 3.73Å; V121-Y125 HydrophobicContact CG2-CE1 3.82Å; V121-G454 CarbonylContact O-C 3.53Å; V121-G454 WeakPolarHBondContact O-CA 3.46Å; V121-G454 PolarHBondContact O-N 3.2Å; V121-Q455 PolarHBondContact O-N 3.32Å; V121-Q455 VanDerWaalsContact O-N 3.16Å; V121-G456 PolarHBondContact O-N 3.49Å
122C98.9Very high98.7Very high1 Ų126.1 Ų26.11%0.00713%0.133CC..SBendtrans-90.8-24.4175.2-740000113.1H80 T83 K84 L87 K120 V451H80-C122 VanDerWaalsContact CD2-SG 3.57Å; T83-C122 WeakPolarHBondContact OG1-CB 3.5Å; T83-C122 PolarHBondContact OG1-N 3.04Å; K84-C122 HydrophobicContact CG-CB 4.16Å; L87-C122 HydrophobicContact CD1-CB 3.8Å; K120-C122 PolarHBondContact O-N 3.19Å; C122-V451 HydrophobicContact CB-CB 4.44Å; C122-V451 HydrophobicContact CB-CG1 3.95Å; C122-V451 HydrophobicContact CB-CG2 3.6Å; C122-V451 WeakPolarHBondContact O-CG2 3.25Å
123C98.9Very high98.7Very high0 Ų026.1 Ų26.10%013%0.126CC..SBendtrans-120169.7175.274.10000110.8L87 T92 G456L87-C123 HydrophobicContact CD1-CB 4.17Å; L87-C123 HydrophobicContact CD2-CB 3.68Å; L87-C123 HydrophobicContact CG-CB 3.91Å; T92-C123 WeakPolarHBondContact O-CB 3.44Å; C123-G456 VanDerWaalsContact O-CA 3.24Å; C123-G456 WeakPolarHBondContact O-CA 3.41Å
124D98.9Very high98.7Very high1 Ų126.9 Ų26.91%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-62.9154.9176.3-78.5-6.1000111.4T92 M93 I94 K388 R439 K457 V459T92-D124 PolarHBondContact O-N 3.47Å; M93-D124 VanDerWaalsContact CA-O 3.24Å; M93-D124 WeakPolarHBondContact CA-O 3.21Å; I94-D124 PolarHBondContact N-O 3Å; D124-K388 IonicContact OD2-NZ 3.65Å; D124-K388 PolarHBondContact OD2-NZ 3.5Å; D124-R439 VanDerWaalsContact OD1-CD 3.28Å; D124-R439 WeakPolarHBondContact OD1-CD 3.44Å; D124-R439 IonicContact OD1-CZ 3.8Å; D124-R439 IonicContact OD1-NE 3.04Å; D124-R439 IonicContact OD1-NH1 3.28Å; D124-R439 PolarHBondContact OD1-NH1 2.9Å; D124-R439 IonicContact OD2-NH1 3.92Å; D124-R439 PolarHBondContact OD2-NH1 3.49Å; D124-K457 WeakPolarHBondContact CA-O 3.25Å; D124-K457 PolarHBondContact OD1-N 2.96Å; D124-V459 HydrophobicContact CB-CG2 4.02Å
125Y98.9Very high98.7Very high0 Ų025.7 Ų25.70%013%0.129CC..EExtended strand (participates in β ladder)trans-149.5164.3178.681.2-69.3000112.3I94 R114 A117 D118 V121 L127 K457 F458 V459I94-Y125 CarbonylContact O-C 3.2Å; I94-Y125 WeakPolarHBondContact O-CA 3.49Å; I94-Y125 WeakPolarHBondContact O-CB 3.35Å; R114-Y125 VanDerWaalsContact CD-OH 3.29Å; R114-Y125 WeakPolarHBondContact CD-OH 3.24Å; R114-Y125 PolarHBondContact NE-OH 3.48Å; R114-Y125 VanDerWaalsContact NE-OH 3.14Å; A117-Y125 HydrophobicContact CB-CD2 4.29Å; A117-Y125 HydrophobicContact CB-CE1 4.31Å; A117-Y125 HydrophobicContact CB-CE2 3.52Å; D118-Y125 WeakPolarHBondContact OD1-CE1 3.26Å; D118-Y125 PolarHBondContact OD1-OH 2.91Å; V121-Y125 HydrophobicContact CB-CD1 4.22Å; V121-Y125 HydrophobicContact CG1-CD1 3.86Å; V121-Y125 HydrophobicContact CG1-CE1 4.21Å; V121-Y125 HydrophobicContact CG1-CG 4.08Å; V121-Y125 HydrophobicContact CG2-CD1 3.73Å; V121-Y125 HydrophobicContact CG2-CE1 3.82Å; Y125-L127 HydrophobicContact CD2-CD2 4.14Å; Y125-L127 HydrophobicContact CD2-CG 4.31Å; Y125-L127 HydrophobicContact CE2-CD1 4.26Å; Y125-L127 HydrophobicContact CE2-CD2 3.98Å; Y125-L127 HydrophobicContact CE2-CG 3.96Å; Y125-K457 PolarHBondContact N-O 3.14Å; Y125-F458 HydrophobicContact CD1-CB 4.42Å; Y125-F458 HydrophobicContact CD2-CD2 4.45Å; Y125-F458 HydrophobicContact CE1-CB 3.76Å; Y125-F458 HydrophobicContact CE1-CD2 4.41Å; Y125-F458 AromaticContact CE2-CD2 3.98Å; Y125-F458 HydrophobicContact CE2-CD2 3.98Å; Y125-F458 AromaticContact CZ-CD2 3.95Å; Y125-F458 CarbonylContact O-C 3.05Å; Y125-F458 WeakPolarHBondContact O-CA 3.2Å; Y125-V459 PolarHBondContact O-N 3.05Å
126S98.9Very high98.7Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-142.9-179.2163.6-157.90000110.1I94 L95 D96 V459 R461I94-S126 PolarHBondContact O-N 2.92Å; L95-S126 WeakPolarHBondContact CA-O 3.41Å; D96-S126 PolarHBondContact N-O 3.5Å; S126-V459 PolarHBondContact OG-O 3.49Å; S126-R461 PolarHBondContact OG-NE 3.03Å; S126-R461 PolarHBondContact OG-NH2 3.43Å
127L98.9Very high98.7Very high0 Ų025.7 Ų25.70%014%0.137CC..EExtended strand (participates in β ladder)trans-131.9125.1-169.6-66.8176.5000112.9D96 V98 Y110 W113 R114 Y125 F458 R461D96-L127 HydrophobicContact CB-CD2 3.88Å; D96-L127 CarbonylContact O-C 3.56Å; D96-L127 VanDerWaalsContact O-CA 3.32Å; D96-L127 WeakPolarHBondContact O-CA 3.48Å; V98-L127 HydrophobicContact CG2-CB 4.06Å; V98-L127 HydrophobicContact CG2-CD1 3.89Å; V98-L127 HydrophobicContact CG2-CD2 4.18Å; V98-L127 HydrophobicContact CG2-CG 4.27Å; Y110-L127 HydrophobicContact CD2-CD1 3.97Å; Y110-L127 HydrophobicContact CE2-CB 4.44Å; Y110-L127 HydrophobicContact CE2-CD1 3.82Å; W113-L127 HydrophobicContact CB-CD1 4.14Å; R114-L127 HydrophobicContact CG-CD1 3.87Å; Y125-L127 HydrophobicContact CD2-CD2 4.14Å; Y125-L127 HydrophobicContact CD2-CG 4.31Å; Y125-L127 HydrophobicContact CE2-CD1 4.26Å; Y125-L127 HydrophobicContact CE2-CD2 3.98Å; Y125-L127 HydrophobicContact CE2-CG 3.96Å; L127-F458 HydrophobicContact CB-CE2 4.2Å; L127-F458 HydrophobicContact CD1-CE2 4.22Å; L127-F458 HydrophobicContact CG-CD2 4.48Å; L127-F458 HydrophobicContact CG-CE2 4.03Å; L127-R461 PolarHBondContact O-NH2 2.93Å
128H98.9Very high98.7Very high0 Ų025.7 Ų25.70%014%0.137CC..EExtended strand (participates in β ladder)trans-80.1153.9159-55.3-58.7000109.4T62 L95 D96 F97 V98 S153 Q186 F382T62-H128 PolarHBondContact O-NE2 3.38Å; T62-H128 VanDerWaalsContact O-NE2 3.14Å; L95-H128 VanDerWaalsContact CB-NE2 3.33Å; L95-H128 WeakPolarHBondContact CB-NE2 3.49Å; L95-H128 VanDerWaalsContact CD2-CE1 3.45Å; L95-H128 WeakPolarHBondContact CD2-CE1 3.36Å; D96-H128 PolarHBondContact O-N 2.78Å; F97-H128 HydrophobicContact CD1-CB 3.33Å; F97-H128 HydrophobicContact CE1-CB 3.28Å; F97-H128 AromaticContact CE1-CD2 3.47Å; F97-H128 VanDerWaalsContact CE1-CD2 3.47Å; F97-H128 WeakPolarHBondContact CE1-CD2 3.34Å; F97-H128 AromaticContact CE1-CG 3.52Å; F97-H128 AromaticContact CE2-CD2 3.7Å; F97-H128 HydrophobicContact CG-CB 4.13Å; F97-H128 HydrophobicContact CZ-CB 4.09Å; F97-H128 AromaticContact CZ-CD2 3.3Å; F97-H128 WeakPolarHBondContact CZ-CD2 3.39Å; F97-H128 AromaticContact CZ-CG 3.86Å; V98-H128 PolarHBondContact N-O 3.33Å; H128-S153 PolarHBondContact CE1-OG 3.42Å; H128-S153 VanDerWaalsContact ND1-CB 3.29Å; H128-S153 WeakPolarHBondContact ND1-CB 3.38Å; H128-S153 PolarHBondContact ND1-OG 2.88Å; H128-Q186 PolarHBondContact CE1-NE2 3.01Å; H128-Q186 VanDerWaalsContact CG-OE1 3.29Å; H128-Q186 PolarHBondContact ND1-OE1 3.35Å; H128-Q186 VanDerWaalsContact ND1-OE1 3.17Å; H128-Q186 PolarHBondContact NE2-NE2 3.41Å; H128-F382 AromaticContact CE1-CD1 3.81Å; H128-F382 AromaticContact CE1-CE1 3.4Å; H128-F382 WeakPolarHBondContact CE1-CE1 3.23Å; H128-F382 AromaticContact CE1-CZ 3.62Å
129V98.9Very high98.7Very high0 Ų027.3 Ų27.30%014%0.141CC..EExtended strand (participates in β ladder)trans-122.2123.4174.9-178.70000110.2V98 L106 Y110 L145 V151 S153 F154 K155V98-V129 HydrophobicContact CB-CB 4.49Å; V98-V129 HydrophobicContact CB-CG1 4.43Å; V98-V129 HydrophobicContact CB-CG2 4.1Å; V98-V129 HydrophobicContact CG2-CG2 4.18Å; L106-V129 HydrophobicContact CB-CG1 4.12Å; L106-V129 HydrophobicContact CD2-CG1 4.29Å; L106-V129 HydrophobicContact CG-CG1 4.15Å; Y110-V129 HydrophobicContact CD2-CG2 4.28Å; V129-L145 HydrophobicContact CB-CD1 4.22Å; V129-L145 HydrophobicContact CG1-CD1 3.92Å; V129-L145 HydrophobicContact CG2-CD1 4.09Å; V129-L145 HydrophobicContact CG2-CD2 4.19Å; V129-V151 HydrophobicContact CB-CG1 4.37Å; V129-V151 HydrophobicContact CG2-CG1 3.89Å; V129-V151 HydrophobicContact CG2-CG2 4.2Å; V129-S153 PolarHBondContact N-O 3.08Å; V129-F154 HydrophobicContact CB-CD1 4.09Å; V129-F154 HydrophobicContact CB-CE1 4.19Å; V129-F154 CarbonylContact O-C 3.53Å; V129-F154 WeakPolarHBondContact O-CA 3.21Å; V129-K155 PolarHBondContact O-N 3.27Å
130A98.9Very high98.8Very high0 Ų030.6 Ų30.60%014%0.142CC..EExtended strand (participates in β ladder)trans-75.7138.1176.800000111.9V98 I99 P100 T132 K155 F157V98-A130 WeakPolarHBondContact O-CB 3.48Å; V98-A130 PolarHBondContact O-N 2.76Å; I99-A130 HydrophobicContact CG1-CB 4.3Å; I99-A130 HydrophobicContact CG2-CB 4.43Å; P100-A130 WeakPolarHBondContact CD-O 3.47Å; P100-A130 VanDerWaalsContact CG-O 3.3Å; P100-A130 WeakPolarHBondContact CG-O 3.33Å; A130-T132 HydrophobicContact CB-CG2 4.04Å; A130-K155 CarbonylContact C-O 3.53Å; A130-K155 WeakPolarHBondContact CA-O 3.5Å; A130-K155 HydrophobicContact CB-CB 4.29Å; A130-F157 HydrophobicContact CB-CE2 3.93Å
131V98.8Very high98.8Very high0 Ų028.8 Ų28.80%013%0.134CC..  trans-104.294.4171.8-179.20000106.8L106 W133 W134 V138 M142 F154 K155 M156 L166L106-V131 HydrophobicContact CD2-CG2 4.26Å; V131-W133 WeakPolarHBondContact CG1-O 3.38Å; V131-W134 HydrophobicContact CG1-CE3 4.09Å; V131-W134 HydrophobicContact CG1-CZ3 4.41Å; V131-V138 HydrophobicContact CG1-CG1 3.8Å; V131-M142 HydrophobicContact CG2-CE 4.28Å; V131-M142 HydrophobicContact CG2-CG 4.26Å; V131-M142 HydrophobicContact CG2-SD 3.9Å; V131-F154 HydrophobicContact CG2-CB 4.03Å; V131-F154 HydrophobicContact CG2-CD1 4.01Å; V131-F154 HydrophobicContact CG2-CG 4.34Å; V131-K155 PolarHBondContact N-O 2.96Å; V131-M156 HydrophobicContact CB-CG 4.17Å; V131-M156 HydrophobicContact CB-SD 3.98Å; V131-M156 HydrophobicContact CG2-SD 4.13Å; V131-L166 HydrophobicContact CG1-CD1 4.39Å
132T98.6Very high98.8Very high0 Ų028.8 Ų28.80%013%0.134CC..  trans-97.4-1.1-173.455.70000113.6I99 P100 A130 F157 F164I99-T132 HydrophobicContact CG2-CG2 4.34Å; P100-T132 WeakPolarHBondContact O-CG2 3.29Å; P100-T132 PolarHBondContact O-OG1 3.05Å; A130-T132 HydrophobicContact CB-CG2 4.04Å; T132-F157 HydrophobicContact CG2-CD2 4.45Å; T132-F157 HydrophobicContact CG2-CE2 4.36Å; T132-F164 HydrophobicContact CG2-CB 4.13Å; T132-F164 HydrophobicContact CG2-CD1 3.46Å; T132-F164 VanDerWaalsContact CG2-CD1 3.46Å; T132-F164 HydrophobicContact CG2-CE1 4.1Å; T132-F164 HydrophobicContact CG2-CG 3.99Å
133W98.6Very high98.8Very high36 Ų3632.3 Ų32.314%0.13615%0.151CC..SBendtrans-160.3164.6176.265.8-71.7000109.5K102 G103 K104 V131 S135 V138K102-W133 HydrophobicContact CD-CB 4.46Å; K102-W133 HydrophobicContact CG-CB 3.95Å; G103-W133 VanDerWaalsContact N-CD1 3.25Å; K104-W133 PolarHBondContact O-NE1 2.82Å; V131-W133 WeakPolarHBondContact CG1-O 3.38Å; W133-S135 WeakPolarHBondContact CH2-OG 3.23Å; W133-S135 VanDerWaalsContact CZ3-CB 3.44Å; W133-S135 WeakPolarHBondContact CZ3-OG 3.26Å; W133-V138 HydrophobicContact CD2-CG2 3.61Å; W133-V138 HydrophobicContact CE3-CG2 3.91Å; W133-V138 HydrophobicContact CG-CG2 4.27Å; W133-V138 HydrophobicContact CH2-CG2 3.8Å; W133-V138 HydrophobicContact CZ2-CG2 3.45Å; W133-V138 VanDerWaalsContact CZ2-CG2 3.45Å; W133-V138 HydrophobicContact CZ3-CG2 4.02Å
134W98.6Very high98.8Very high58 Ų5834.1 Ų34.122%0.2216%0.162CC..  trans-126.7134-177.3-169.9-108000113V131 V138 K139 M142 E170 A173 A174 Q177V131-W134 HydrophobicContact CG1-CE3 4.09Å; V131-W134 HydrophobicContact CG1-CZ3 4.41Å; W134-V138 HydrophobicContact CE3-CG1 3.97Å; W134-V138 HydrophobicContact CZ3-CG1 4.07Å; W134-K139 HydrophobicContact CH2-CB 4.12Å; W134-K139 HydrophobicContact CH2-CG 4.31Å; W134-K139 HydrophobicContact CZ2-CB 4.24Å; W134-K139 HydrophobicContact CZ2-CG 4.42Å; W134-M142 HydrophobicContact CH2-SD 4.16Å; W134-M142 HydrophobicContact CZ3-SD 3.6Å; W134-M142 VanDerWaalsContact CZ3-SD 3.6Å; W134-E170 HydrophobicContact CB-CB 4.14Å; W134-E170 HydrophobicContact CB-CG 4.12Å; W134-A173 HydrophobicContact CD2-CB 4.39Å; W134-A173 HydrophobicContact CZ2-CB 3.81Å; W134-A174 HydrophobicContact CE3-CB 3.92Å; W134-A174 HydrophobicContact CH2-CB 4.38Å; W134-A174 HydrophobicContact CZ3-CB 3.77Å; W134-Q177 HydrophobicContact CH2-CB 3.68Å; W134-Q177 HydrophobicContact CH2-CG 4.09Å; W134-Q177 HydrophobicContact CZ2-CB 4.46Å
135S98.5Very high98.8Very high32 Ų3234 Ų3422%0.22416%0.162CC..  trans-164.8172.6173.871.70000110.6W133 E137 V138 K139W133-S135 WeakPolarHBondContact CH2-OG 3.23Å; W133-S135 VanDerWaalsContact CZ3-CB 3.44Å; W133-S135 WeakPolarHBondContact CZ3-OG 3.26Å; S135-E137 PolarHBondContact O-N 3.39Å; S135-E137 PolarHBondContact OG-N 3.14Å; S135-V138 PolarHBondContact O-N 3.31Å; S135-V138 PolarHBondContact OG-N 3.2Å; S135-K139 PolarHBondContact O-N 3.2Å
136D98.3Very high98.8Very high122 Ų12234.1 Ų34.165%0.65216%0.162SC*.Hα-helixtrans-62.9-26.4172.5-76.9-23.5000113.2K140D136-K140 WeakPolarHBondContact O-CG 3.26Å; D136-K140 PolarHBondContact O-N 3.3Å
137E98.5Very high98.7Very high107 Ų10740.4 Ų40.450%0.519%0.189SC..Hα-helixtrans-67.9-53.3174.3-178.4178.9-175.100110.2S135 K139 K140 E141S135-E137 PolarHBondContact O-N 3.39Å; S135-E137 PolarHBondContact OG-N 3.14Å; E137-K139 PolarHBondContact O-N 3.03Å; E137-K140 WeakPolarHBondContact O-CB 3.47Å; E137-K140 PolarHBondContact O-N 3.12Å; E137-E141 HydrophobicContact CG-CG 4.49Å; E137-E141 WeakPolarHBondContact O-CG 3.32Å; E137-E141 PolarHBondContact O-N 3.11Å
138V98.8Very high98.7Very high0 Ų046.5 Ų46.50%022%0.218CC..Hα-helixtrans-53.6-44.2176.5172.70000110.8L106 V131 W133 W134 S135 K140 E141 M142L106-V138 HydrophobicContact CD1-CG1 4.22Å; L106-V138 HydrophobicContact CD1-CG2 3.96Å; L106-V138 HydrophobicContact CD2-CG1 3.94Å; V131-V138 HydrophobicContact CG1-CG1 3.8Å; W133-V138 HydrophobicContact CD2-CG2 3.61Å; W133-V138 HydrophobicContact CE3-CG2 3.91Å; W133-V138 HydrophobicContact CG-CG2 4.27Å; W133-V138 HydrophobicContact CH2-CG2 3.8Å; W133-V138 HydrophobicContact CZ2-CG2 3.45Å; W133-V138 VanDerWaalsContact CZ2-CG2 3.45Å; W133-V138 HydrophobicContact CZ3-CG2 4.02Å; W134-V138 HydrophobicContact CE3-CG1 3.97Å; W134-V138 HydrophobicContact CZ3-CG1 4.07Å; S135-V138 PolarHBondContact O-N 3.31Å; S135-V138 PolarHBondContact OG-N 3.2Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 PolarHBondContact O-N 3.16Å; V138-E141 PolarHBondContact O-N 2.96Å; V138-M142 HydrophobicContact CG1-CG 4.4Å; V138-M142 HydrophobicContact CG1-SD 4.09Å; V138-M142 VanDerWaalsContact O-CG 3.28Å; V138-M142 WeakPolarHBondContact O-CG 3.42Å; V138-M142 PolarHBondContact O-N 3.33Å
139K98.8Very high98.7Very high91 Ų9149.1 Ų49.140%0.39623%0.229SC..Hα-helixtrans-55.7-45.5177.6-173.2-175.6178.8-179.20112.4W134 S135 E137 E143 Q177W134-K139 HydrophobicContact CH2-CB 4.12Å; W134-K139 HydrophobicContact CH2-CG 4.31Å; W134-K139 HydrophobicContact CZ2-CB 4.24Å; W134-K139 HydrophobicContact CZ2-CG 4.42Å; S135-K139 PolarHBondContact O-N 3.2Å; E137-K139 PolarHBondContact O-N 3.03Å; K139-E143 PolarHBondContact O-N 3.07Å; K139-Q177 VanDerWaalsContact CG-CD 3.41Å; K139-Q177 HydrophobicContact CG-CG 3.88Å; K139-Q177 PolarHBondContact O-NE2 2.8Å; K139-Q177 VanDerWaalsContact O-NE2 3.08Å
140K98.8Very high98.7Very high140 Ų14049.1 Ų49.161%0.60923%0.229SC*.Hα-helixtrans-70.1-41.5178.5-69.8170.6-175.7174.40111.8D136 E137 V138 M142 E143 T144D136-K140 WeakPolarHBondContact O-CG 3.26Å; D136-K140 PolarHBondContact O-N 3.3Å; E137-K140 WeakPolarHBondContact O-CB 3.47Å; E137-K140 PolarHBondContact O-N 3.12Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 PolarHBondContact O-N 3.16Å; K140-M142 VanDerWaalsContact C-N 3.33Å; K140-M142 PolarHBondContact O-N 3.07Å; K140-E143 WeakPolarHBondContact O-CB 3.4Å; K140-E143 PolarHBondContact O-N 3.12Å; K140-E143 VanDerWaalsContact O-N 3.11Å; K140-T144 PolarHBondContact O-N 3.04Å; K140-T144 PolarHBondContact O-OG1 2.86Å
141E98.9Very high98.7Very high16 Ų1649.1 Ų49.18%0.07523%0.229CC..Hα-helixtrans-64.4-38178.5-68.2-167.6130.500112.4S105 L106 L107 E137 V138 E143 T144 L145S105-E141 WeakPolarHBondContact CA-OE2 3.35Å; S105-E141 VanDerWaalsContact CB-OE1 3.28Å; S105-E141 WeakPolarHBondContact CB-OE1 3.42Å; S105-E141 PolarHBondContact OG-OE1 3.48Å; L106-E141 HydrophobicContact CB-CB 4.21Å; L106-E141 WeakPolarHBondContact CB-OE2 3.4Å; L106-E141 PolarHBondContact N-OE2 3.46Å; L107-E141 HydrophobicContact CD1-CB 4.31Å; L107-E141 HydrophobicContact CD1-CG 3.88Å; L107-E141 HydrophobicContact CG-CB 4.08Å; L107-E141 HydrophobicContact CG-CG 4.02Å; E137-E141 HydrophobicContact CG-CG 4.49Å; E137-E141 WeakPolarHBondContact O-CG 3.32Å; E137-E141 PolarHBondContact O-N 3.11Å; V138-E141 PolarHBondContact O-N 2.96Å; E141-E143 VanDerWaalsContact C-N 3.28Å; E141-E143 PolarHBondContact O-N 2.98Å; E141-T144 PolarHBondContact O-N 2.83Å; E141-L145 WeakPolarHBondContact O-CB 3.39Å; E141-L145 VanDerWaalsContact O-CG 3.27Å; E141-L145 WeakPolarHBondContact O-CG 3.11Å; E141-L145 PolarHBondContact O-N 3.47Å
142M98.9Very high98.7Very high0 Ų049.3 Ų49.30%023%0.23CC..Hα-helixtrans-58.4-41.3171.5-71.6171.568.300111.7L106 V131 W134 V138 K140 L145 A146 F154 Q177 C178 I181L106-M142 HydrophobicContact CD2-CG 3.97Å; V131-M142 HydrophobicContact CG2-CE 4.28Å; V131-M142 HydrophobicContact CG2-CG 4.26Å; V131-M142 HydrophobicContact CG2-SD 3.9Å; W134-M142 HydrophobicContact CH2-SD 4.16Å; W134-M142 HydrophobicContact CZ3-SD 3.6Å; W134-M142 VanDerWaalsContact CZ3-SD 3.6Å; V138-M142 HydrophobicContact CG1-CG 4.4Å; V138-M142 HydrophobicContact CG1-SD 4.09Å; V138-M142 VanDerWaalsContact O-CG 3.28Å; V138-M142 WeakPolarHBondContact O-CG 3.42Å; V138-M142 PolarHBondContact O-N 3.33Å; K140-M142 VanDerWaalsContact C-N 3.33Å; K140-M142 PolarHBondContact O-N 3.07Å; M142-L145 PolarHBondContact O-N 3.22Å; M142-A146 WeakPolarHBondContact O-CB 3.45Å; M142-A146 PolarHBondContact O-N 3.03Å; M142-F154 HydrophobicContact CB-CE1 4Å; M142-F154 HydrophobicContact CB-CE2 4.38Å; M142-F154 HydrophobicContact CB-CZ 3.86Å; M142-F154 HydrophobicContact CE-CB 4.43Å; M142-F154 HydrophobicContact CE-CD1 4.32Å; M142-F154 HydrophobicContact CE-CD2 3.95Å; M142-F154 HydrophobicContact CE-CE2 4.32Å; M142-F154 HydrophobicContact CE-CG 3.97Å; M142-F154 HydrophobicContact CG-CD1 4.02Å; M142-F154 HydrophobicContact CG-CE1 3.74Å; M142-F154 HydrophobicContact CG-CZ 4.1Å; M142-F154 WeakPolarHBondContact O-CZ 3.45Å; M142-Q177 HydrophobicContact CE-CB 4.22Å; M142-Q177 HydrophobicContact CE-CG 3.87Å; M142-Q177 HydrophobicContact SD-CG 4.09Å; M142-C178 VanDerWaalsContact CE-SG 3.58Å; M142-I181 HydrophobicContact CB-CD1 3.82Å; M142-I181 HydrophobicContact CE-CD1 4.17Å
143E98.8Very high98.7Very high75 Ų7549.3 Ų49.335%0.3523%0.23SC..Hα-helixtrans-64-45.7176.8-177.1178.3-170.700111.7K139 K140 E141 L145 A146 K147 I181K139-E143 PolarHBondContact O-N 3.07Å; K140-E143 WeakPolarHBondContact O-CB 3.4Å; K140-E143 PolarHBondContact O-N 3.12Å; K140-E143 VanDerWaalsContact O-N 3.11Å; E141-E143 VanDerWaalsContact C-N 3.28Å; E141-E143 PolarHBondContact O-N 2.98Å; E143-L145 VanDerWaalsContact C-N 3.34Å; E143-L145 PolarHBondContact O-N 2.93Å; E143-A146 PolarHBondContact O-N 3.49Å; E143-K147 HydrophobicContact CG-CD 3.84Å; E143-K147 HydrophobicContact CG-CG 4.44Å; E143-K147 WeakPolarHBondContact O-CB 3.38Å; E143-K147 WeakPolarHBondContact O-CG 3.39Å; E143-K147 PolarHBondContact O-N 3.17Å; E143-K147 WeakPolarHBondContact OE1-CE 3.48Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 2.99Å; E143-I181 HydrophobicContact CB-CG2 4.11Å; E143-I181 HydrophobicContact CG-CG2 4.3Å
144T98.9Very high98.7Very high38 Ų3847.6 Ų47.623%0.23322%0.224CC..Hα-helixtrans-60.2-43.6174-60.30000111.5L107 K140 E141 A146 K147 E148 K149L107-T144 HydrophobicContact CD1-CG2 4.13Å; L107-T144 HydrophobicContact CD2-CG2 3.84Å; K140-T144 PolarHBondContact O-N 3.04Å; K140-T144 PolarHBondContact O-OG1 2.86Å; E141-T144 PolarHBondContact O-N 2.83Å; T144-A146 VanDerWaalsContact C-N 3.32Å; T144-A146 PolarHBondContact O-N 2.91Å; T144-K147 PolarHBondContact O-N 3.12Å; T144-E148 HydrophobicContact CG2-CB 4.47Å; T144-E148 WeakPolarHBondContact O-CB 3.47Å; T144-E148 PolarHBondContact O-N 3.16Å; T144-K149 PolarHBondContact O-N 2.87Å
145L98.9Very high98.7Very high0 Ų045 Ų450%021%0.214CC..Iπ-helixtrans-59.8-43.2178.3-77.8165.2000111.9L106 L107 Y110 V129 E141 M142 E143 K149 G150 V151 F154L106-L145 HydrophobicContact CB-CD1 3.89Å; L106-L145 HydrophobicContact CD2-CD1 4.34Å; L107-L145 HydrophobicContact CD2-CD2 3.89Å; L107-L145 HydrophobicContact CD2-CG 3.78Å; Y110-L145 HydrophobicContact CD1-CD2 4.25Å; Y110-L145 HydrophobicContact CD2-CD2 3.87Å; Y110-L145 HydrophobicContact CG-CD2 3.72Å; V129-L145 HydrophobicContact CB-CD1 4.22Å; V129-L145 HydrophobicContact CG1-CD1 3.92Å; V129-L145 HydrophobicContact CG2-CD1 4.09Å; V129-L145 HydrophobicContact CG2-CD2 4.19Å; E141-L145 WeakPolarHBondContact O-CB 3.39Å; E141-L145 VanDerWaalsContact O-CG 3.27Å; E141-L145 WeakPolarHBondContact O-CG 3.11Å; E141-L145 PolarHBondContact O-N 3.47Å; M142-L145 PolarHBondContact O-N 3.22Å; E143-L145 VanDerWaalsContact C-N 3.34Å; E143-L145 PolarHBondContact O-N 2.93Å; L145-K149 HydrophobicContact CD2-CB 3.98Å; L145-K149 HydrophobicContact CD2-CG 4.11Å; L145-K149 CarbonylContact O-C 3.31Å; L145-K149 PolarHBondContact O-N 2.81Å; L145-G150 PolarHBondContact O-N 2.98Å; L145-V151 HydrophobicContact CB-CB 4.16Å; L145-V151 HydrophobicContact CD2-CG2 4.24Å; L145-V151 PolarHBondContact O-N 3.47Å; L145-V151 VanDerWaalsContact O-N 3.11Å; L145-F154 HydrophobicContact CB-CE1 4.13Å; L145-F154 HydrophobicContact CB-CZ 3.95Å; L145-F154 HydrophobicContact CD1-CE1 3.86Å
146A98.8Very high98.8Very high1 Ų143.5 Ų43.51%0.00820%0.204CC..Iπ-helixtrans-72.1-41.8179.100000113.9M142 E143 T144 V151 I181M142-A146 WeakPolarHBondContact O-CB 3.45Å; M142-A146 PolarHBondContact O-N 3.03Å; E143-A146 PolarHBondContact O-N 3.49Å; T144-A146 VanDerWaalsContact C-N 3.32Å; T144-A146 PolarHBondContact O-N 2.91Å; A146-V151 WeakPolarHBondContact CA-O 3.44Å; A146-I181 HydrophobicContact CB-CB 4.13Å; A146-I181 HydrophobicContact CB-CD1 4.09Å; A146-I181 HydrophobicContact CB-CG1 4.12Å
147K98.4Very high98.8Very high132 Ų13238 Ų3857%0.57417%0.174SC*.Iπ-helixtrans-80.3-36.4-176.4-70.1-177.9177.1179.60113.2E143 T144E143-K147 HydrophobicContact CG-CD 3.84Å; E143-K147 HydrophobicContact CG-CG 4.44Å; E143-K147 WeakPolarHBondContact O-CB 3.38Å; E143-K147 WeakPolarHBondContact O-CG 3.39Å; E143-K147 PolarHBondContact O-N 3.17Å; E143-K147 WeakPolarHBondContact OE1-CE 3.48Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 2.99Å; T144-K147 PolarHBondContact O-N 3.12Å
148E98.6Very high98.8Very high128 Ų12833 Ų3360%0.59815%0.151SC*.Iπ-helixtrans-119.6-34-164.6-58.7175.2-155.400112.9T144 H460T144-E148 HydrophobicContact CG2-CB 4.47Å; T144-E148 WeakPolarHBondContact O-CB 3.47Å; T144-E148 PolarHBondContact O-N 3.16Å; E148-H460 PolarHBondContact O-NE2 3.26Å
149K98.7Very high98.8Very high56 Ų5633 Ų3324%0.24315%0.151CC..Iπ-helixtrans-99.1-4.2-171.2-55-71-165.5147.30114.3L107 Y110 D111 T144 L145 F458L107-K149 HydrophobicContact CD2-CG 4.34Å; Y110-K149 HydrophobicContact CD1-CB 4.45Å; Y110-K149 HydrophobicContact CD1-CD 4.28Å; Y110-K149 HydrophobicContact CD1-CG 4.41Å; Y110-K149 HydrophobicContact CE1-CB 3.87Å; Y110-K149 HydrophobicContact CE1-CD 3.74Å; Y110-K149 HydrophobicContact CE1-CG 4.06Å; Y110-K149 HydrophobicContact CE2-CB 4.31Å; Y110-K149 PolarHBondContact OH-O 3.2Å; D111-K149 IonicContact OD1-NZ 2.61Å; D111-K149 PolarHBondContact OD1-NZ 2.96Å; D111-K149 IonicContact OD2-NZ 2.9Å; T144-K149 PolarHBondContact O-N 2.87Å; L145-K149 HydrophobicContact CD2-CB 3.98Å; L145-K149 HydrophobicContact CD2-CG 4.11Å; L145-K149 CarbonylContact O-C 3.31Å; L145-K149 PolarHBondContact O-N 2.81Å; K149-F458 WeakPolarHBondContact O-CE1 3.44Å; K149-F458 WeakPolarHBondContact O-CZ 3.12Å
150G98.5Very high98.6Very high0 Ų031.1 Ų31.10%014%0.142CC..  trans8330.7173.100000114L145 H460 R461L145-G150 PolarHBondContact O-N 2.98Å; G150-H460 WeakPolarHBondContact CA-CE1 3.37Å; G150-H460 WeakPolarHBondContact CA-ND1 3.45Å; G150-H460 WeakPolarHBondContact CA-NE2 3.4Å; G150-H460 PolarHBondContact N-CE1 2.86Å; G150-H460 PolarHBondContact N-NE2 2.58Å; G150-H460 VanDerWaalsContact N-NE2 3.11Å; G150-R461 CarbonylContact C-O 3.5Å; G150-R461 VanDerWaalsContact CA-O 3.31Å; G150-R461 WeakPolarHBondContact CA-O 3.31Å; G150-R461 PolarHBondContact O-N 3.18Å; G150-R461 PolarHBondContact O-NE 3.5Å; G150-R461 VanDerWaalsContact O-NE 3.15Å; G150-R461 PolarHBondContact O-NH2 3.34Å
151V98.9Very high98.5Very high0 Ų028.3 Ų28.30%013%0.129CC..  trans-113.8109.6-177.5179.30000111Y110 V129 L145 A146 S153 F154Y110-V151 HydrophobicContact CD2-CG2 4.16Å; Y110-V151 HydrophobicContact CE2-CG2 3.85Å; V129-V151 HydrophobicContact CB-CG1 4.37Å; V129-V151 HydrophobicContact CG2-CG1 3.89Å; V129-V151 HydrophobicContact CG2-CG2 4.2Å; L145-V151 HydrophobicContact CB-CB 4.16Å; L145-V151 HydrophobicContact CD2-CG2 4.24Å; L145-V151 PolarHBondContact O-N 3.47Å; L145-V151 VanDerWaalsContact O-N 3.11Å; A146-V151 WeakPolarHBondContact CA-O 3.44Å; V151-S153 WeakPolarHBondContact CG1-O 3.46Å; V151-F154 HydrophobicContact CG1-CE1 4.25Å; V151-F154 HydrophobicContact CG1-CZ 4.2Å
152N98.8Very high98.3Very high4 Ų434 Ų342%0.02116%0.161CC..  trans-110.620.4178.263.210.1000113.2A183 I184 F382 N383 R461 G462N152-A183 CarbonylContact O-C 3.5Å; N152-A183 WeakPolarHBondContact O-CA 3.4Å; N152-A183 WeakPolarHBondContact O-CB 3.43Å; N152-I184 PolarHBondContact O-N 3.48Å; N152-F382 PolarHBondContact ND2-O 2.8Å; N152-N383 WeakPolarHBondContact ND2-CB 3.48Å; N152-R461 WeakPolarHBondContact ND2-CB 3.34Å; N152-G462 PolarHBondContact ND2-O 2.93Å
153S98.9Very high98.1Very high0 Ų037.7 Ų37.70%018%0.183CC..EExtended strand (participates in β ladder)trans-148.9126.9-174.332.20000111.2H128 V129 V151 I184 R461H128-S153 PolarHBondContact CE1-OG 3.42Å; H128-S153 VanDerWaalsContact ND1-CB 3.29Å; H128-S153 WeakPolarHBondContact ND1-CB 3.38Å; H128-S153 PolarHBondContact ND1-OG 2.88Å; V129-S153 PolarHBondContact N-O 3.08Å; V151-S153 WeakPolarHBondContact CG1-O 3.46Å; S153-I184 WeakPolarHBondContact CA-O 3.36Å; S153-R461 PolarHBondContact OG-NH1 3.2Å
154F98.9Very high98Very high0 Ų035.2 Ų35.20%017%0.171CC..EExtended strand (participates in β ladder)trans-125.2133.1-176.9-65.8-81.4000111.2V129 V131 M142 L145 V151 M156 I181 A183 I184 Q186V129-F154 HydrophobicContact CB-CD1 4.09Å; V129-F154 HydrophobicContact CB-CE1 4.19Å; V129-F154 CarbonylContact O-C 3.53Å; V129-F154 WeakPolarHBondContact O-CA 3.21Å; V131-F154 HydrophobicContact CG2-CB 4.03Å; V131-F154 HydrophobicContact CG2-CD1 4.01Å; V131-F154 HydrophobicContact CG2-CG 4.34Å; M142-F154 HydrophobicContact CB-CE1 4Å; M142-F154 HydrophobicContact CB-CE2 4.38Å; M142-F154 HydrophobicContact CB-CZ 3.86Å; M142-F154 HydrophobicContact CE-CB 4.43Å; M142-F154 HydrophobicContact CE-CD1 4.32Å; M142-F154 HydrophobicContact CE-CD2 3.95Å; M142-F154 HydrophobicContact CE-CE2 4.32Å; M142-F154 HydrophobicContact CE-CG 3.97Å; M142-F154 HydrophobicContact CG-CD1 4.02Å; M142-F154 HydrophobicContact CG-CE1 3.74Å; M142-F154 HydrophobicContact CG-CZ 4.1Å; M142-F154 WeakPolarHBondContact O-CZ 3.45Å; L145-F154 HydrophobicContact CB-CE1 4.13Å; L145-F154 HydrophobicContact CB-CZ 3.95Å; L145-F154 HydrophobicContact CD1-CE1 3.86Å; V151-F154 HydrophobicContact CG1-CE1 4.25Å; V151-F154 HydrophobicContact CG1-CZ 4.2Å; F154-M156 HydrophobicContact CB-SD 4.11Å; F154-M156 WeakPolarHBondContact O-CE 3.08Å; F154-I181 HydrophobicContact CD2-CD1 4.23Å; F154-I181 HydrophobicContact CE2-CD1 3.48Å; F154-I181 VanDerWaalsContact CE2-CD1 3.48Å; F154-I181 HydrophobicContact CE2-CG1 4.44Å; F154-I181 HydrophobicContact CZ-CD1 4.05Å; F154-A183 HydrophobicContact CD2-CB 3.52Å; F154-A183 HydrophobicContact CE2-CB 3.51Å; F154-I184 PolarHBondContact N-O 3.16Å; F154-Q186 WeakPolarHBondContact O-CA 3.22Å; F154-Q186 WeakPolarHBondContact O-CB 3.32Å; F154-Q186 PolarHBondContact O-N 3.38Å
155K98.9Very high98Very high4 Ų433.9 Ų33.92%0.01716%0.162CC..EExtended strand (participates in β ladder)trans-102125.2-177.3-178.5169.6178.4-179.60112.4H63 F97 V129 A130 V131 F157 Q186H63-K155 PolarHBondContact NE2-NZ 3.35Å; H63-K155 VanDerWaalsContact NE2-NZ 3.18Å; F97-K155 HydrophobicContact CD1-CB 3.81Å; F97-K155 HydrophobicContact CD1-CD 3.35Å; F97-K155 HydrophobicContact CD1-CG 4.2Å; F97-K155 HydrophobicContact CE1-CB 3.68Å; F97-K155 HydrophobicContact CE1-CD 3.25Å; F97-K155 HydrophobicContact CE1-CG 4.02Å; F97-K155 HydrophobicContact CE2-CD 4.49Å; F97-K155 HydrophobicContact CG-CD 4.08Å; F97-K155 HydrophobicContact CZ-CD 3.86Å; V129-K155 PolarHBondContact O-N 3.27Å; A130-K155 CarbonylContact C-O 3.53Å; A130-K155 WeakPolarHBondContact CA-O 3.5Å; A130-K155 HydrophobicContact CB-CB 4.29Å; V131-K155 PolarHBondContact N-O 2.96Å; K155-F157 HydrophobicContact CD-CE1 4.49Å; K155-F157 HydrophobicContact CD-CE2 4.4Å; K155-F157 HydrophobicContact CD-CZ 3.97Å; K155-F157 HydrophobicContact CG-CE2 4.12Å; K155-F157 HydrophobicContact CG-CZ 4.17Å; K155-Q186 CarbonylContact C-O 3.2Å; K155-Q186 WeakPolarHBondContact CA-O 3.35Å; K155-Q186 HydrophobicContact CB-CB 4.16Å; K155-Q186 HydrophobicContact CG-CB 4.48Å
156M98.9Very high98Very high0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-112.3155.4175.3-71.365.971.200109.4V131 F154 L166 L171 A174 F175 A185 Q186 V187 H188V131-M156 HydrophobicContact CB-CG 4.17Å; V131-M156 HydrophobicContact CB-SD 3.98Å; V131-M156 HydrophobicContact CG2-SD 4.13Å; F154-M156 HydrophobicContact CB-SD 4.11Å; F154-M156 WeakPolarHBondContact O-CE 3.08Å; M156-L166 HydrophobicContact CB-CD1 4.18Å; M156-L166 HydrophobicContact CG-CD1 3.76Å; M156-L171 HydrophobicContact CB-CD2 3.8Å; M156-L171 HydrophobicContact CG-CD2 4.23Å; M156-A174 HydrophobicContact CG-CB 4.37Å; M156-F175 HydrophobicContact CB-CE1 4.49Å; M156-F175 HydrophobicContact CE-CD1 3.68Å; M156-F175 HydrophobicContact CE-CE1 3.44Å; M156-F175 VanDerWaalsContact CE-CE1 3.44Å; M156-F175 HydrophobicContact CG-CE1 4.37Å; M156-A185 HydrophobicContact CE-CB 3.48Å; M156-A185 VanDerWaalsContact CE-CB 3.48Å; M156-Q186 WeakPolarHBondContact CE-O 3.37Å; M156-Q186 PolarHBondContact N-O 2.9Å; M156-V187 HydrophobicContact CB-CG1 4.43Å; M156-V187 WeakPolarHBondContact O-CA 3.41Å; M156-H188 PolarHBondContact O-N 2.9Å
157F98.9Very high98Very high7 Ų738.5 Ų38.53%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-120.5130.2179.7-64.3-95.1000110.4A130 T132 K155 Y160 F164 M165 L166 H188A130-F157 HydrophobicContact CB-CE2 3.93Å; T132-F157 HydrophobicContact CG2-CD2 4.45Å; T132-F157 HydrophobicContact CG2-CE2 4.36Å; K155-F157 HydrophobicContact CD-CE1 4.49Å; K155-F157 HydrophobicContact CD-CE2 4.4Å; K155-F157 HydrophobicContact CD-CZ 3.97Å; K155-F157 HydrophobicContact CG-CE2 4.12Å; K155-F157 HydrophobicContact CG-CZ 4.17Å; F157-Y160 AromaticContact CD1-CD2 3.63Å; F157-Y160 HydrophobicContact CD1-CD2 3.63Å; F157-Y160 AromaticContact CD1-CE2 3.81Å; F157-Y160 HydrophobicContact CD1-CE2 3.81Å; F157-Y160 HydrophobicContact CE1-CD2 4.14Å; F157-Y160 AromaticContact CE1-CE2 3.98Å; F157-Y160 HydrophobicContact CE1-CE2 3.98Å; F157-Y160 HydrophobicContact CG-CD2 4.38Å; F157-F164 HydrophobicContact CB-CB 3.95Å; F157-F164 HydrophobicContact CD2-CB 3.78Å; F157-F164 HydrophobicContact CD2-CG 4.39Å; F157-F164 HydrophobicContact CE2-CB 4.42Å; F157-F164 HydrophobicContact CG-CB 3.88Å; F157-M165 WeakPolarHBondContact O-CA 3.35Å; F157-L166 PolarHBondContact O-N 3.17Å; F157-H188 HydrophobicContact CD1-CB 3.53Å; F157-H188 AromaticContact CD1-CG 3.79Å; F157-H188 HydrophobicContact CE1-CB 3.98Å; F157-H188 HydrophobicContact CG-CB 4.31Å
158M98.9Very high98Very high1 Ų135.5 Ų35.51%0.00517%0.174CC..SBendtrans-95.3-12.3167.3-59.2177.771.700111.7M165 L171 H188 A189 E190 G192 A225 R228 A229M158-M165 WeakPolarHBondContact O-CE 3.44Å; M158-M165 WeakPolarHBondContact O-CG 3.39Å; M158-L171 HydrophobicContact CE-CD1 4.35Å; M158-L171 HydrophobicContact CG-CD1 3.93Å; M158-L171 HydrophobicContact SD-CD1 4.43Å; M158-H188 PolarHBondContact N-O 2.61Å; M158-A189 HydrophobicContact SD-CB 4.26Å; M158-E190 CarbonylContact C-O 3.56Å; M158-E190 VanDerWaalsContact CB-O 3.29Å; M158-E190 WeakPolarHBondContact CB-O 3.47Å; M158-G192 WeakPolarHBondContact O-CA 3.36Å; M158-G192 PolarHBondContact O-N 2.75Å; M158-A225 HydrophobicContact CB-CB 4.46Å; M158-A225 HydrophobicContact CE-CB 3.75Å; M158-A225 WeakPolarHBondContact CE-O 3.5Å; M158-A225 HydrophobicContact SD-CB 3.96Å; M158-A225 VanDerWaalsContact SD-O 3.39Å; M158-R228 HydrophobicContact CE-CB 4.07Å; M158-R228 HydrophobicContact CE-CG 3.97Å; M158-A229 HydrophobicContact SD-CB 3.76Å
159A97.8Very high98Very high1 Ų133.6 Ų33.61%0.00817%0.174CC..SBendtrans-100.1-172.7174.200000111.9M165 H188 E190 I195A159-M165 VanDerWaalsContact O-CA 3.31Å; A159-M165 WeakPolarHBondContact O-CA 3.36Å; A159-M165 VanDerWaalsContact O-CB 3.25Å; A159-M165 WeakPolarHBondContact O-CB 3.18Å; A159-M165 PolarHBondContact O-N 3.37Å; A159-H188 WeakPolarHBondContact CB-CD2 3.41Å; A159-H188 WeakPolarHBondContact CB-NE2 3.49Å; A159-E190 HydrophobicContact CB-CB 4.16Å; A159-E190 PolarHBondContact N-O 2.78Å; A159-I195 HydrophobicContact CB-CD1 3.73Å
160Y96.6Very high98Very high51 Ų5133.2 Ų33.220%0.217%0.174CC..SBendtrans57.657.6179.6-52.7-70000112.3F70 F157 D162 V163 F164 M165 H188F70-Y160 HydrophobicContact CZ-CE1 4.01Å; F157-Y160 AromaticContact CD1-CD2 3.63Å; F157-Y160 HydrophobicContact CD1-CD2 3.63Å; F157-Y160 AromaticContact CD1-CE2 3.81Å; F157-Y160 HydrophobicContact CD1-CE2 3.81Å; F157-Y160 HydrophobicContact CE1-CD2 4.14Å; F157-Y160 AromaticContact CE1-CE2 3.98Å; F157-Y160 HydrophobicContact CE1-CE2 3.98Å; F157-Y160 HydrophobicContact CG-CD2 4.38Å; Y160-D162 PolarHBondContact O-N 2.87Å; Y160-V163 PolarHBondContact O-N 2.83Å; Y160-F164 HydrophobicContact CD2-CD2 4.11Å; Y160-F164 HydrophobicContact CG-CD2 4.18Å; Y160-F164 PolarHBondContact O-N 2.84Å; Y160-M165 PolarHBondContact O-N 3.48Å; Y160-M165 VanDerWaalsContact O-N 3.14Å; Y160-H188 AromaticContact CE2-CE1 3.85Å; Y160-H188 AromaticContact CE2-NE2 3.88Å
161K96.3Very high98Very high80 Ų8033.2 Ų33.235%0.34817%0.174SC..THydrogen-bonded Turntrans-47.4138.9174.8-174.8175.1-179.1160.60110.7V163 M165 D193 A196K161-V163 PolarHBondContact O-N 2.91Å; K161-M165 HydrophobicContact CB-SD 4.04Å; K161-M165 HydrophobicContact CG-SD 4.31Å; K161-D193 WeakPolarHBondContact CD-OD1 3.19Å; K161-D193 WeakPolarHBondContact CE-OD1 3.47Å; K161-D193 IonicContact NZ-OD1 3.99Å; K161-D193 PolarHBondContact NZ-OD1 3.33Å; K161-A196 HydrophobicContact CD-CB 4.17Å
162D93.8Very high98Very high137 Ų13738.9 Ų38.973%0.73320%0.196SC*.THydrogen-bonded Turntrans65.5-7.9-177.6-51.8-41.9000116.2Y160Y160-D162 PolarHBondContact O-N 2.87Å
163V95.1Very high98Very high77 Ų7740 Ų4047%0.46721%0.206SC..THydrogen-bonded Turntrans-107.7-61.6179.9-173.20000111.3Y160 K161Y160-V163 PolarHBondContact O-N 2.83Å; K161-V163 PolarHBondContact O-N 2.91Å
164F96.6Very high98Very high22 Ų2240 Ų4010%0.09621%0.206CC..THydrogen-bonded Turntrans-127.9-13.5-176.1-55.1-44.4000114.1F70 I99 T132 F157 Y160 L166F70-F164 HydrophobicContact CE2-CE2 4.01Å; I99-F164 HydrophobicContact CG2-CE1 4.01Å; I99-F164 HydrophobicContact CG2-CE2 4.32Å; I99-F164 HydrophobicContact CG2-CZ 3.82Å; T132-F164 HydrophobicContact CG2-CB 4.13Å; T132-F164 HydrophobicContact CG2-CD1 3.46Å; T132-F164 VanDerWaalsContact CG2-CD1 3.46Å; T132-F164 HydrophobicContact CG2-CE1 4.1Å; T132-F164 HydrophobicContact CG2-CG 3.99Å; F157-F164 HydrophobicContact CB-CB 3.95Å; F157-F164 HydrophobicContact CD2-CB 3.78Å; F157-F164 HydrophobicContact CD2-CG 4.39Å; F157-F164 HydrophobicContact CE2-CB 4.42Å; F157-F164 HydrophobicContact CG-CB 3.88Å; Y160-F164 HydrophobicContact CD2-CD2 4.11Å; Y160-F164 HydrophobicContact CG-CD2 4.18Å; Y160-F164 PolarHBondContact O-N 2.84Å; F164-L166 PolarHBondContact O-N 2.81Å
165M98.6Very high98Very high11 Ų1140 Ų405%0.05421%0.206CC..BIsolated β-bridgetrans-57.7128.5-174.6-171.6175.4176.600112.1F157 M158 A159 Y160 K161F157-M165 WeakPolarHBondContact O-CA 3.35Å; M158-M165 WeakPolarHBondContact O-CE 3.44Å; M158-M165 WeakPolarHBondContact O-CG 3.39Å; A159-M165 VanDerWaalsContact O-CA 3.31Å; A159-M165 WeakPolarHBondContact O-CA 3.36Å; A159-M165 VanDerWaalsContact O-CB 3.25Å; A159-M165 WeakPolarHBondContact O-CB 3.18Å; A159-M165 PolarHBondContact O-N 3.37Å; Y160-M165 PolarHBondContact O-N 3.48Å; Y160-M165 VanDerWaalsContact O-N 3.14Å; K161-M165 HydrophobicContact CB-SD 4.04Å; K161-M165 HydrophobicContact CG-SD 4.31Å
166L98.8Very high98Very high2 Ų241.6 Ų41.61%0.0122%0.22CC..PPolyproline II helixtrans-99.2142.6166.6-63.6-175.2000110.4V131 M156 F157 F164 E170 L171V131-L166 HydrophobicContact CG1-CD1 4.39Å; M156-L166 HydrophobicContact CB-CD1 4.18Å; M156-L166 HydrophobicContact CG-CD1 3.76Å; F157-L166 PolarHBondContact O-N 3.17Å; F164-L166 PolarHBondContact O-N 2.81Å; L166-E170 WeakPolarHBondContact CA-OE2 3.42Å; L166-E170 HydrophobicContact CB-CB 4.09Å; L166-E170 HydrophobicContact CD2-CB 4.26Å; L166-L171 HydrophobicContact CB-CD2 3.94Å; L166-L171 HydrophobicContact CB-CG 4Å; L166-L171 HydrophobicContact CD1-CD2 4.16Å
167Q98.6Very high98Very high96 Ų9642.2 Ų42.245%0.44922%0.222SC..PPolyproline II helixtrans-78.7161.9171.8-59.8-59.9-38.600111S169 E170 L171Q167-S169 PolarHBondContact O-N 2.85Å; Q167-S169 VanDerWaalsContact O-N 3.15Å; Q167-E170 PolarHBondContact N-OE2 3.42Å; Q167-E170 WeakPolarHBondContact O-CA 3.47Å; Q167-E170 WeakPolarHBondContact O-CB 3.31Å; Q167-E170 PolarHBondContact O-N 3.07Å; Q167-L171 PolarHBondContact O-N 3.31Å
168D98.9Very high98Very high68 Ų6841.9 Ų41.936%0.36422%0.221SC..Hα-helixtrans-56.7-35.4-176-71.6-7.3000113.6L171 Y172 R228 I232D168-L171 PolarHBondContact O-N 3.3Å; D168-Y172 WeakPolarHBondContact O-CB 3.32Å; D168-Y172 PolarHBondContact O-N 3.42Å; D168-R228 IonicContact OD1-CZ 2.78Å; D168-R228 IonicContact OD1-NH1 3.68Å; D168-R228 PolarHBondContact OD1-NH1 3.42Å; D168-R228 WeakPolarHBondContact OD2-CD 3.43Å; D168-R228 IonicContact OD2-NH1 3.84Å; D168-I232 HydrophobicContact CB-CD1 4.07Å
169S98.7Very high98Very high88 Ų8843.7 Ų43.762%0.61523%0.229SC*.Hα-helixtrans-67.4-36.7175.853.90000112.8Q167 A173Q167-S169 PolarHBondContact O-N 2.85Å; Q167-S169 VanDerWaalsContact O-N 3.15Å; S169-A173 PolarHBondContact O-N 3.04Å
170E98.8Very high98.1Very high49 Ų4950.2 Ų50.223%0.22926%0.259CS..Hα-helixtrans-72.4-40.5175.4-62.9173.212600110.6W134 L166 Q167 Y172 A173 A174W134-E170 HydrophobicContact CB-CB 4.14Å; W134-E170 HydrophobicContact CB-CG 4.12Å; L166-E170 WeakPolarHBondContact CA-OE2 3.42Å; L166-E170 HydrophobicContact CB-CB 4.09Å; L166-E170 HydrophobicContact CD2-CB 4.26Å; Q167-E170 PolarHBondContact N-OE2 3.42Å; Q167-E170 WeakPolarHBondContact O-CA 3.47Å; Q167-E170 WeakPolarHBondContact O-CB 3.31Å; Q167-E170 PolarHBondContact O-N 3.07Å; E170-Y172 PolarHBondContact O-N 3.42Å; E170-A173 PolarHBondContact O-N 3.18Å; E170-A174 WeakPolarHBondContact O-CB 3.48Å; E170-A174 PolarHBondContact O-N 3.11Å
171L98.9Very high98.2Very high0 Ų048.3 Ų48.30%025%0.252CS..Hα-helixtrans-60-44.5173-69.7171.5000111.4M156 M158 L166 Q167 D168 A173 A174 F175 I232M156-L171 HydrophobicContact CB-CD2 3.8Å; M156-L171 HydrophobicContact CG-CD2 4.23Å; M158-L171 HydrophobicContact CE-CD1 4.35Å; M158-L171 HydrophobicContact CG-CD1 3.93Å; M158-L171 HydrophobicContact SD-CD1 4.43Å; L166-L171 HydrophobicContact CB-CD2 3.94Å; L166-L171 HydrophobicContact CB-CG 4Å; L166-L171 HydrophobicContact CD1-CD2 4.16Å; Q167-L171 PolarHBondContact O-N 3.31Å; D168-L171 PolarHBondContact O-N 3.3Å; L171-A173 VanDerWaalsContact C-N 3.33Å; L171-A173 PolarHBondContact O-N 2.6Å; L171-A174 PolarHBondContact O-N 2.86Å; L171-F175 HydrophobicContact CB-CE2 4.41Å; L171-F175 HydrophobicContact CB-CZ 4.22Å; L171-F175 HydrophobicContact CD2-CE1 4.02Å; L171-F175 HydrophobicContact CD2-CZ 3.97Å; L171-F175 VanDerWaalsContact O-CB 3.3Å; L171-F175 WeakPolarHBondContact O-CB 3.33Å; L171-F175 WeakPolarHBondContact O-CD1 3.27Å; L171-F175 WeakPolarHBondContact O-CG 3.44Å; L171-F175 PolarHBondContact O-N 3.5Å; L171-I232 HydrophobicContact CB-CD1 4.34Å; L171-I232 HydrophobicContact CB-CG2 4.5Å; L171-I232 HydrophobicContact CD1-CD1 4.24Å
172Y98.9Very high98.3Very high119 Ų11944.5 Ų44.547%0.46724%0.236SC..Hα-helixtrans-55.3-48.9174.5178.6-81.6000111.4D168 E170 A176 V235 V236D168-Y172 WeakPolarHBondContact O-CB 3.32Å; D168-Y172 PolarHBondContact O-N 3.42Å; E170-Y172 PolarHBondContact O-N 3.42Å; Y172-A176 WeakPolarHBondContact O-CB 3.31Å; Y172-A176 PolarHBondContact O-N 2.83Å; Y172-V235 HydrophobicContact CE2-CG1 3.87Å; Y172-V236 HydrophobicContact CD1-CG1 4.33Å; Y172-V236 HydrophobicContact CD2-CG1 3.57Å; Y172-V236 HydrophobicContact CE1-CG1 4.04Å; Y172-V236 HydrophobicContact CE2-CG1 3.23Å; Y172-V236 HydrophobicContact CG-CG1 4.1Å; Y172-V236 VanDerWaalsContact CZ-CG1 3.47Å
173A98.9Very high98.6Very high28 Ų2838 Ų3823%0.23120%0.201CC..Hα-helixtrans-66.7-43.2-179.500000112.4W134 S169 E170 L171 A176 Q177W134-A173 HydrophobicContact CD2-CB 4.39Å; W134-A173 HydrophobicContact CZ2-CB 3.81Å; S169-A173 PolarHBondContact O-N 3.04Å; E170-A173 PolarHBondContact O-N 3.18Å; L171-A173 VanDerWaalsContact C-N 3.33Å; L171-A173 PolarHBondContact O-N 2.6Å; A173-A176 PolarHBondContact O-N 2.72Å; A173-Q177 PolarHBondContact O-N 3.39Å
174A98.9Very high98.7Very high0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-64.6-41.4177.500000112W134 M156 E170 L171 Q177 C178W134-A174 HydrophobicContact CE3-CB 3.92Å; W134-A174 HydrophobicContact CH2-CB 4.38Å; W134-A174 HydrophobicContact CZ3-CB 3.77Å; M156-A174 HydrophobicContact CG-CB 4.37Å; E170-A174 WeakPolarHBondContact O-CB 3.48Å; E170-A174 PolarHBondContact O-N 3.11Å; L171-A174 PolarHBondContact O-N 2.86Å; A174-Q177 PolarHBondContact O-N 2.92Å; A174-C178 PolarHBondContact O-N 3.14Å; A174-C178 PolarHBondContact O-SG 3.16Å
175F98.9Very high98.8Very high0 Ų033.5 Ų33.50%018%0.175CC..Hα-helixtrans-69-40.3177.4-66.5-2.2000111.5M156 L171 Q177 C178 K179 A185 V187 I232 A233 V236 C238 L240M156-F175 HydrophobicContact CB-CE1 4.49Å; M156-F175 HydrophobicContact CE-CD1 3.68Å; M156-F175 HydrophobicContact CE-CE1 3.44Å; M156-F175 VanDerWaalsContact CE-CE1 3.44Å; M156-F175 HydrophobicContact CG-CE1 4.37Å; L171-F175 HydrophobicContact CB-CE2 4.41Å; L171-F175 HydrophobicContact CB-CZ 4.22Å; L171-F175 HydrophobicContact CD2-CE1 4.02Å; L171-F175 HydrophobicContact CD2-CZ 3.97Å; L171-F175 VanDerWaalsContact O-CB 3.3Å; L171-F175 WeakPolarHBondContact O-CB 3.33Å; L171-F175 WeakPolarHBondContact O-CD1 3.27Å; L171-F175 WeakPolarHBondContact O-CG 3.44Å; L171-F175 PolarHBondContact O-N 3.5Å; F175-Q177 VanDerWaalsContact C-N 3.28Å; F175-Q177 PolarHBondContact O-N 3.14Å; F175-C178 PolarHBondContact O-N 2.79Å; F175-K179 PolarHBondContact O-N 3.44Å; F175-A185 HydrophobicContact CD1-CB 3.75Å; F175-A185 HydrophobicContact CE1-CB 4.04Å; F175-A185 HydrophobicContact CG-CB 4.4Å; F175-V187 HydrophobicContact CE1-CG1 3.86Å; F175-V187 HydrophobicContact CZ-CG1 3.55Å; F175-I232 HydrophobicContact CD2-CB 4.24Å; F175-I232 HydrophobicContact CD2-CG2 3.74Å; F175-I232 HydrophobicContact CE2-CB 4.11Å; F175-I232 HydrophobicContact CE2-CG2 3.98Å; F175-A233 HydrophobicContact CD2-CB 3.83Å; F175-A233 HydrophobicContact CE2-CB 4.06Å; F175-V236 HydrophobicContact CB-CG2 3.73Å; F175-C238 HydrophobicContact CB-CB 4.02Å; F175-C238 WeakPolarHBondContact O-CB 3.45Å; F175-C238 PolarHBondContact O-SG 3.43Å; F175-L240 HydrophobicContact CE1-CD1 4.5Å; F175-L240 HydrophobicContact CE2-CD1 4.24Å; F175-L240 HydrophobicContact CZ-CD1 4.05Å
176A98.9Very high98.9Very high37 Ų3733 Ų3331%0.30617%0.173SC..Hα-helixtrans-59-42.4172.700000111.1Y172 A173 K179 E180 V236Y172-A176 WeakPolarHBondContact O-CB 3.31Å; Y172-A176 PolarHBondContact O-N 2.83Å; A173-A176 PolarHBondContact O-N 2.72Å; A176-K179 PolarHBondContact O-N 2.95Å; A176-E180 PolarHBondContact O-N 2.59Å; A176-V236 HydrophobicContact CB-CB 4.44Å; A176-V236 HydrophobicContact CB-CG1 4.28Å
177Q98.9Very high98.9Very high12 Ų1232.9 Ų32.96%0.05617%0.172CC..Hα-helixtrans-66.3-43.4175.7-17862.49.400112.5W134 K139 M142 A173 A174 F175 K179 E180 I181W134-Q177 HydrophobicContact CH2-CB 3.68Å; W134-Q177 HydrophobicContact CH2-CG 4.09Å; W134-Q177 HydrophobicContact CZ2-CB 4.46Å; K139-Q177 VanDerWaalsContact CG-CD 3.41Å; K139-Q177 HydrophobicContact CG-CG 3.88Å; K139-Q177 PolarHBondContact O-NE2 2.8Å; K139-Q177 VanDerWaalsContact O-NE2 3.08Å; M142-Q177 HydrophobicContact CE-CB 4.22Å; M142-Q177 HydrophobicContact CE-CG 3.87Å; M142-Q177 HydrophobicContact SD-CG 4.09Å; A173-Q177 PolarHBondContact O-N 3.39Å; A174-Q177 PolarHBondContact O-N 2.92Å; F175-Q177 VanDerWaalsContact C-N 3.28Å; F175-Q177 PolarHBondContact O-N 3.14Å; Q177-K179 VanDerWaalsContact C-N 3.27Å; Q177-K179 PolarHBondContact O-N 3.41Å; Q177-E180 PolarHBondContact O-N 2.88Å; Q177-E180 VanDerWaalsContact O-N 3.14Å; Q177-I181 HydrophobicContact CG-CD1 4.44Å; Q177-I181 VanDerWaalsContact NE2-CG2 3.31Å; Q177-I181 WeakPolarHBondContact O-CG1 3.42Å; Q177-I181 PolarHBondContact O-N 3.49Å
178C98.9Very high98.9Very high0 Ų028.4 Ų28.40%015%0.151CC..Hα-helixtrans-55.1-45.2175-71.20000111M142 A174 F175 E180 I181 G182 A183 A185 Y469M142-C178 VanDerWaalsContact CE-SG 3.58Å; A174-C178 PolarHBondContact O-N 3.14Å; A174-C178 PolarHBondContact O-SG 3.16Å; F175-C178 PolarHBondContact O-N 2.79Å; C178-E180 PolarHBondContact O-N 2.8Å; C178-I181 PolarHBondContact O-N 3.01Å; C178-G182 PolarHBondContact O-N 3.32Å; C178-G182 VanDerWaalsContact O-N 3.13Å; C178-A183 CarbonylContact C-O 3.45Å; C178-A183 HydrophobicContact CB-CB 4.5Å; C178-A183 WeakPolarHBondContact CB-O 3.45Å; C178-A183 PolarHBondContact O-N 3.39Å; C178-A183 VanDerWaalsContact O-O 3.12Å; C178-A185 HydrophobicContact CB-CB 4.32Å; C178-Y469 PolarHBondContact O-OH 3.3Å
179K98.9Very high98.9Very high40 Ų4025.3 Ų25.317%0.17414%0.135CC..Hα-helixtrans-59-48.7175.1-179.1-177.7-176.5-68.90112.1F175 A176 Q177 I181 G182 V236 N237 C238 D476F175-K179 PolarHBondContact O-N 3.44Å; A176-K179 PolarHBondContact O-N 2.95Å; Q177-K179 VanDerWaalsContact C-N 3.27Å; Q177-K179 PolarHBondContact O-N 3.41Å; K179-I181 VanDerWaalsContact C-N 3.33Å; K179-I181 PolarHBondContact O-N 2.99Å; K179-G182 PolarHBondContact O-N 3.08Å; K179-V236 WeakPolarHBondContact CD-O 3.48Å; K179-N237 HydrophobicContact CD-CB 4.44Å; K179-N237 VanDerWaalsContact CD-O 3.25Å; K179-N237 WeakPolarHBondContact CD-O 3.31Å; K179-N237 VanDerWaalsContact CE-O 3.27Å; K179-N237 WeakPolarHBondContact CE-O 3.39Å; K179-C238 HydrophobicContact CB-CB 4.12Å; K179-D476 WeakPolarHBondContact CE-OD1 3.36Å; K179-D476 WeakPolarHBondContact CE-OD2 3.28Å; K179-D476 VanDerWaalsContact NZ-CG 3.32Å; K179-D476 IonicContact NZ-OD1 3.25Å; K179-D476 PolarHBondContact NZ-OD1 2.77Å; K179-D476 IonicContact NZ-OD2 2.7Å; K179-D476 PolarHBondContact NZ-OD2 3.38Å
180E98.9Very high98.9Very high137 Ų13721.1 Ų21.164%0.6411%0.106SC*.Hα-helixtrans-59-42.7-177.3-174.861.2-162.400112.2A176 Q177 C178 G182 F464A176-E180 PolarHBondContact O-N 2.59Å; Q177-E180 PolarHBondContact O-N 2.88Å; Q177-E180 VanDerWaalsContact O-N 3.14Å; C178-E180 PolarHBondContact O-N 2.8Å; E180-G182 VanDerWaalsContact C-N 3.32Å; E180-G182 PolarHBondContact O-N 3.28Å; E180-F464 WeakPolarHBondContact O-CZ 3.29Å
181I98.8Very high98.9Very high11 Ų1119.9 Ų19.96%0.05610%0.101CC..THydrogen-bonded Turntrans-88.52.8-178.670.8-171.1000113.6M142 E143 A146 F154 Q177 C178 K179 A183 P463M142-I181 HydrophobicContact CB-CD1 3.82Å; M142-I181 HydrophobicContact CE-CD1 4.17Å; E143-I181 HydrophobicContact CB-CG2 4.11Å; E143-I181 HydrophobicContact CG-CG2 4.3Å; A146-I181 HydrophobicContact CB-CB 4.13Å; A146-I181 HydrophobicContact CB-CD1 4.09Å; A146-I181 HydrophobicContact CB-CG1 4.12Å; F154-I181 HydrophobicContact CD2-CD1 4.23Å; F154-I181 HydrophobicContact CE2-CD1 3.48Å; F154-I181 VanDerWaalsContact CE2-CD1 3.48Å; F154-I181 HydrophobicContact CE2-CG1 4.44Å; F154-I181 HydrophobicContact CZ-CD1 4.05Å; Q177-I181 HydrophobicContact CG-CD1 4.44Å; Q177-I181 VanDerWaalsContact NE2-CG2 3.31Å; Q177-I181 WeakPolarHBondContact O-CG1 3.42Å; Q177-I181 PolarHBondContact O-N 3.49Å; C178-I181 PolarHBondContact O-N 3.01Å; K179-I181 VanDerWaalsContact C-N 3.33Å; K179-I181 PolarHBondContact O-N 2.99Å; I181-A183 HydrophobicContact CD1-CB 4.18Å; I181-A183 HydrophobicContact CG1-CB 3.87Å; I181-P463 WeakPolarHBondContact O-CB 3.43Å
182G98.8Very high98.9Very high1 Ų119.9 Ų19.91%0.0110%0.101CC..THydrogen-bonded Turntrans7425.117900000114.8C178 K179 E180 F464 Y469C178-G182 PolarHBondContact O-N 3.32Å; C178-G182 VanDerWaalsContact O-N 3.13Å; K179-G182 PolarHBondContact O-N 3.08Å; E180-G182 VanDerWaalsContact C-N 3.32Å; E180-G182 PolarHBondContact O-N 3.28Å; G182-F464 PolarHBondContact O-N 2.65Å; G182-Y469 VanDerWaalsContact C-CZ 3.42Å; G182-Y469 VanDerWaalsContact CA-CZ 3.46Å; G182-Y469 VanDerWaalsContact CA-OH 3.29Å; G182-Y469 WeakPolarHBondContact CA-OH 3.33Å; G182-Y469 WeakPolarHBondContact O-CE2 3.03Å
183A98.9Very high98.9Very high0 Ų017 Ų170%09%0.094CC..PPolyproline II helixtrans-101146.2177.300000113.3N152 F154 C178 I181 Y469N152-A183 CarbonylContact O-C 3.5Å; N152-A183 WeakPolarHBondContact O-CA 3.4Å; N152-A183 WeakPolarHBondContact O-CB 3.43Å; F154-A183 HydrophobicContact CD2-CB 3.52Å; F154-A183 HydrophobicContact CE2-CB 3.51Å; C178-A183 CarbonylContact C-O 3.45Å; C178-A183 HydrophobicContact CB-CB 4.5Å; C178-A183 WeakPolarHBondContact CB-O 3.45Å; C178-A183 PolarHBondContact O-N 3.39Å; C178-A183 VanDerWaalsContact O-O 3.12Å; I181-A183 HydrophobicContact CD1-CB 4.18Å; I181-A183 HydrophobicContact CG1-CB 3.87Å; A183-Y469 VanDerWaalsContact C-OH 3.27Å; A183-Y469 PolarHBondContact N-OH 3.41Å; A183-Y469 PolarHBondContact O-OH 3.14Å
184I98.9Very high98.9Very high4 Ų420 Ų202%0.02111%0.106CC..EExtended strand (participates in β ladder)trans-79.1134.1171.1-167.3166.6000110.8N152 S153 F154 P239 Y241 F265 I381 F382 V468N152-I184 PolarHBondContact O-N 3.48Å; S153-I184 WeakPolarHBondContact CA-O 3.36Å; F154-I184 PolarHBondContact N-O 3.16Å; I184-P239 HydrophobicContact CG1-CB 4.31Å; I184-Y241 HydrophobicContact CD1-CD2 4.16Å; I184-Y241 HydrophobicContact CD1-CG 4.49Å; I184-F265 HydrophobicContact CD1-CD2 3.81Å; I184-F265 HydrophobicContact CD1-CE2 4Å; I184-I381 HydrophobicContact CD1-CG2 3.84Å; I184-F382 HydrophobicContact CG2-CD1 4.39Å; I184-F382 HydrophobicContact CG2-CE1 4.04Å; I184-V468 HydrophobicContact CD1-CG1 4.19Å; I184-V468 HydrophobicContact CD1-CG2 4.28Å
185A98.9Very high98.9Very high0 Ų021 Ų210%011%0.111CC..EExtended strand (participates in β ladder)trans-83.3121174.300000110M156 F175 C178 P239 L240 Y241M156-A185 HydrophobicContact CE-CB 3.48Å; M156-A185 VanDerWaalsContact CE-CB 3.48Å; F175-A185 HydrophobicContact CD1-CB 3.75Å; F175-A185 HydrophobicContact CE1-CB 4.04Å; F175-A185 HydrophobicContact CG-CB 4.4Å; C178-A185 HydrophobicContact CB-CB 4.32Å; A185-P239 PolarHBondContact N-O 3Å; A185-P239 VanDerWaalsContact N-O 3.12Å; A185-L240 HydrophobicContact CB-CD1 4.08Å; A185-L240 CarbonylContact O-C 3.42Å; A185-L240 WeakPolarHBondContact O-CA 3.25Å; A185-Y241 PolarHBondContact O-N 3.42Å
186Q99Very high98.9Very high0 Ų022.2 Ų22.20%012%0.121CC..EExtended strand (participates in β ladder)trans-97141.2170.6-70.4169.5-60.900109.9H128 F154 K155 M156 Y241 V243H128-Q186 PolarHBondContact CE1-NE2 3.01Å; H128-Q186 VanDerWaalsContact CG-OE1 3.29Å; H128-Q186 PolarHBondContact ND1-OE1 3.35Å; H128-Q186 VanDerWaalsContact ND1-OE1 3.17Å; H128-Q186 PolarHBondContact NE2-NE2 3.41Å; F154-Q186 WeakPolarHBondContact O-CA 3.22Å; F154-Q186 WeakPolarHBondContact O-CB 3.32Å; F154-Q186 PolarHBondContact O-N 3.38Å; K155-Q186 CarbonylContact C-O 3.2Å; K155-Q186 WeakPolarHBondContact CA-O 3.35Å; K155-Q186 HydrophobicContact CB-CB 4.16Å; K155-Q186 HydrophobicContact CG-CB 4.48Å; M156-Q186 WeakPolarHBondContact CE-O 3.37Å; M156-Q186 PolarHBondContact N-O 2.9Å; Q186-Y241 CarbonylContact C-O 3.49Å; Q186-Y241 VanDerWaalsContact CA-O 3.23Å; Q186-Y241 WeakPolarHBondContact CA-O 3.43Å; Q186-Y241 HydrophobicContact CG-CD1 3.9Å; Q186-Y241 HydrophobicContact CG-CG 4.08Å; Q186-V243 HydrophobicContact CB-CG1 4.08Å; Q186-V243 HydrophobicContact CG-CG1 4.25Å
187V98.9Very high98.9Very high0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-133.9126.9-180-69.30000112.6M156 F175 A189 A229 L240 Y241 V242 V243M156-V187 HydrophobicContact CB-CG1 4.43Å; M156-V187 WeakPolarHBondContact O-CA 3.41Å; F175-V187 HydrophobicContact CE1-CG1 3.86Å; F175-V187 HydrophobicContact CZ-CG1 3.55Å; V187-A189 HydrophobicContact CG2-CB 4.33Å; V187-A189 PolarHBondContact O-N 2.98Å; V187-A229 HydrophobicContact CB-CB 4.47Å; V187-A229 HydrophobicContact CG1-CB 4.36Å; V187-A229 HydrophobicContact CG2-CB 3.98Å; V187-L240 HydrophobicContact CB-CD1 4.44Å; V187-L240 HydrophobicContact CG1-CD1 3.71Å; V187-L240 HydrophobicContact CG2-CD1 3.84Å; V187-L240 HydrophobicContact CG2-CD2 4.28Å; V187-L240 HydrophobicContact CG2-CG 4.15Å; V187-Y241 PolarHBondContact N-O 2.82Å; V187-V242 HydrophobicContact CG2-CB 4.49Å; V187-V242 HydrophobicContact CG2-CG2 4.12Å; V187-V243 WeakPolarHBondContact O-CG2 3.49Å; V187-V243 PolarHBondContact O-N 2.78Å
188H98.9Very high98.9Very high2 Ų225.4 Ų25.41%0.00913%0.133CC..EExtended strand (participates in β ladder)trans-81.2107158.2173.8107.9000107.6M156 F157 M158 A159 Y160 E190 V243 H244 G294M156-H188 PolarHBondContact O-N 2.9Å; F157-H188 HydrophobicContact CD1-CB 3.53Å; F157-H188 AromaticContact CD1-CG 3.79Å; F157-H188 HydrophobicContact CE1-CB 3.98Å; F157-H188 HydrophobicContact CG-CB 4.31Å; M158-H188 PolarHBondContact N-O 2.61Å; A159-H188 WeakPolarHBondContact CB-CD2 3.41Å; A159-H188 WeakPolarHBondContact CB-NE2 3.49Å; Y160-H188 AromaticContact CE2-CE1 3.85Å; Y160-H188 AromaticContact CE2-NE2 3.88Å; H188-E190 IonicContact CE1-OE2 3.37Å; H188-E190 IonicContact NE2-OE2 2.72Å; H188-E190 PolarHBondContact NE2-OE2 2.97Å; H188-V243 HydrophobicContact CB-CG2 4.35Å; H188-H244 AromaticContact CE1-CE1 3.82Å; H188-H244 AromaticContact CE1-NE2 3.86Å; H188-H244 AromaticContact CG-CE1 3.57Å; H188-H244 AromaticContact CG-NE2 3.67Å; H188-H244 AromaticContact ND1-CE1 3.02Å; H188-H244 PolarHBondContact ND1-CE1 2.69Å; H188-H244 AromaticContact ND1-NE2 2.89Å; H188-H244 PolarHBondContact ND1-NE2 2.99Å; H188-G294 PolarHBondContact CE1-O 3.4Å; H188-G294 VanDerWaalsContact CE1-O 3.26Å
189A98.8Very high98.8Very high3 Ų326 Ų263%0.02514%0.138CC..  trans-108.976.9-165.300000112.3M158 V187 E222 A225 V242M158-A189 HydrophobicContact SD-CB 4.26Å; V187-A189 HydrophobicContact CG2-CB 4.33Å; V187-A189 PolarHBondContact O-N 2.98Å; A189-E222 WeakPolarHBondContact O-CA 3.47Å; A189-E222 VanDerWaalsContact O-O 3.1Å; A189-A225 VanDerWaalsContact C-CB 3.43Å; A189-A225 HydrophobicContact CB-CB 4.22Å; A189-V242 HydrophobicContact CB-CG1 4.32Å
190E98.9Very high98.8Very high0 Ų030 Ų300%016%0.155CC..SBendtrans-126.3150.1162.4-58.7-176.593.300108.9M158 A159 H188 G192 I195 R217 V221 E222 P295M158-E190 CarbonylContact C-O 3.56Å; M158-E190 VanDerWaalsContact CB-O 3.29Å; M158-E190 WeakPolarHBondContact CB-O 3.47Å; A159-E190 HydrophobicContact CB-CB 4.16Å; A159-E190 PolarHBondContact N-O 2.78Å; H188-E190 IonicContact CE1-OE2 3.37Å; H188-E190 IonicContact NE2-OE2 2.72Å; H188-E190 PolarHBondContact NE2-OE2 2.97Å; E190-G192 PolarHBondContact O-N 3.42Å; E190-G192 VanDerWaalsContact O-N 3.14Å; E190-I195 HydrophobicContact CB-CD1 3.45Å; E190-I195 VanDerWaalsContact CB-CD1 3.45Å; E190-I195 HydrophobicContact CB-CG1 4.45Å; E190-I195 HydrophobicContact CG-CD1 4.31Å; E190-R217 VanDerWaalsContact OE1-CD 3.32Å; E190-R217 WeakPolarHBondContact OE1-CD 3.48Å; E190-R217 IonicContact OE2-NH1 2.72Å; E190-V221 HydrophobicContact CB-CG1 4.2Å; E190-E222 HydrophobicContact CG-CB 4.37Å; E190-P295 HydrophobicContact CG-CB 4.01Å; E190-P295 HydrophobicContact CG-CG 3.75Å; E190-P295 WeakPolarHBondContact OE2-CA 3.33Å
191N98.9Very high98.8Very high23 Ų2329.3 Ų29.312%0.12315%0.15CC..  trans-73.9104.9176.3-171.3-50.1000111.3D193 L194 I195 V221 E224 R228N191-D193 VanDerWaalsContact C-N 3.32Å; N191-D193 PolarHBondContact O-N 3.06Å; N191-D193 PolarHBondContact OD1-N 3.04Å; N191-L194 HydrophobicContact CB-CB 4.13Å; N191-L194 HydrophobicContact CB-CD1 3.98Å; N191-L194 HydrophobicContact CB-CG 4.09Å; N191-L194 PolarHBondContact O-N 3.48Å; N191-L194 PolarHBondContact OD1-N 2.99Å; N191-L194 VanDerWaalsContact OD1-N 3.13Å; N191-I195 WeakPolarHBondContact O-CG1 3.22Å; N191-I195 PolarHBondContact O-N 2.82Å; N191-V221 HydrophobicContact CB-CG1 4.01Å; N191-V221 PolarHBondContact N-O 3.25Å; N191-V221 VanDerWaalsContact N-O 3.1Å; N191-E224 WeakPolarHBondContact CB-OE2 3.3Å; N191-E224 PolarHBondContact ND2-OE2 3.44Å; N191-R228 PolarHBondContact ND2-NH2 2.91Å
192G98.7Very high98.8Very high1 Ų129.7 Ų29.71%0.0115%0.152CC..Hα-helixtrans-62.5-30.8-175.800000115.5M158 E190 A196M158-G192 WeakPolarHBondContact O-CA 3.36Å; M158-G192 PolarHBondContact O-N 2.75Å; E190-G192 PolarHBondContact O-N 3.42Å; E190-G192 VanDerWaalsContact O-N 3.14Å; G192-A196 WeakPolarHBondContact O-CB 3.43Å; G192-A196 PolarHBondContact O-N 3.47Å; G192-A196 VanDerWaalsContact O-N 3.1Å
193D98.8Very high98.8Very high59 Ų5931.4 Ų31.432%0.31616%0.161SC..Hα-helixtrans-70-43.9175.3-71.7-57.8000111.2K161 N191 A196 E197K161-D193 WeakPolarHBondContact CD-OD1 3.19Å; K161-D193 WeakPolarHBondContact CE-OD1 3.47Å; K161-D193 IonicContact NZ-OD1 3.99Å; K161-D193 PolarHBondContact NZ-OD1 3.33Å; N191-D193 VanDerWaalsContact C-N 3.32Å; N191-D193 PolarHBondContact O-N 3.06Å; N191-D193 PolarHBondContact OD1-N 3.04Å; D193-A196 PolarHBondContact O-N 3.49Å; D193-E197 PolarHBondContact O-N 3.01Å
194L98.9Very high98.8Very high91 Ų9136.1 Ų36.148%0.47619%0.194SC..Hα-helixtrans-65.9-38.6177-64.5-177.8000112N191 A196 G198 V221N191-L194 HydrophobicContact CB-CB 4.13Å; N191-L194 HydrophobicContact CB-CD1 3.98Å; N191-L194 HydrophobicContact CB-CG 4.09Å; N191-L194 PolarHBondContact O-N 3.48Å; N191-L194 PolarHBondContact OD1-N 2.99Å; N191-L194 VanDerWaalsContact OD1-N 3.13Å; L194-A196 VanDerWaalsContact C-N 3.35Å; L194-G198 WeakPolarHBondContact O-CA 3.49Å; L194-G198 PolarHBondContact O-N 2.93Å; L194-V221 HydrophobicContact CB-CG1 4.33Å; L194-V221 HydrophobicContact CB-CG2 4.25Å; L194-V221 HydrophobicContact CD1-CG2 4.29Å
195I98.8Very high98.8Very high21 Ų2141.5 Ų41.511%0.10822%0.22CC..Hα-helixtrans-58.9-48.1172.7-67.3164.1000110.4A159 E190 N191 E197 G198 A199 R217 V221A159-I195 HydrophobicContact CB-CD1 3.73Å; E190-I195 HydrophobicContact CB-CD1 3.45Å; E190-I195 VanDerWaalsContact CB-CD1 3.45Å; E190-I195 HydrophobicContact CB-CG1 4.45Å; E190-I195 HydrophobicContact CG-CD1 4.31Å; N191-I195 WeakPolarHBondContact O-CG1 3.22Å; N191-I195 PolarHBondContact O-N 2.82Å; I195-E197 PolarHBondContact O-N 3.16Å; I195-G198 PolarHBondContact O-N 3.07Å; I195-A199 VanDerWaalsContact O-CB 3.3Å; I195-A199 WeakPolarHBondContact O-CB 3.27Å; I195-A199 PolarHBondContact O-N 3.31Å; I195-R217 HydrophobicContact CG1-CB 3.94Å; I195-V221 HydrophobicContact CG1-CG1 3.98Å
196A98.7Very high98.8Very high25 Ų2543.9 Ų43.921%0.20725%0.245CC..Hα-helixtrans-62.4-45.2-176.800000111.9K161 G192 D193 L194 K200K161-A196 HydrophobicContact CD-CB 4.17Å; G192-A196 WeakPolarHBondContact O-CB 3.43Å; G192-A196 PolarHBondContact O-N 3.47Å; G192-A196 VanDerWaalsContact O-N 3.1Å; D193-A196 PolarHBondContact O-N 3.49Å; L194-A196 VanDerWaalsContact C-N 3.35Å; A196-K200 VanDerWaalsContact O-CG 3.3Å; A196-K200 WeakPolarHBondContact O-CG 3.37Å; A196-K200 PolarHBondContact O-N 3.15Å
197E98.8Very high98.8Very high102 Ų10245.7 Ų45.748%0.47725%0.254SS..Hα-helixtrans-71.7-38.9177.5-65.8-52128.400112.4D193 I195 A199 K200 K201D193-E197 PolarHBondContact O-N 3.01Å; I195-E197 PolarHBondContact O-N 3.16Å; E197-A199 VanDerWaalsContact C-N 3.34Å; E197-A199 PolarHBondContact O-N 3.42Å; E197-K200 PolarHBondContact O-N 3.05Å; E197-K200 IonicContact OE1-NZ 3.52Å; E197-K200 PolarHBondContact OE1-NZ 3.31Å; E197-K200 IonicContact OE2-NZ 3.6Å; E197-K201 WeakPolarHBondContact O-CB 3.38Å; E197-K201 PolarHBondContact O-N 3.35Å
198G98.8Very high98.8Very high13 Ų1351.5 Ų51.513%0.13428%0.276CS..Hα-helixtrans-59.9-43.9174.600000112L194 I195 K201 M202L194-G198 WeakPolarHBondContact O-CA 3.49Å; L194-G198 PolarHBondContact O-N 2.93Å; I195-G198 PolarHBondContact O-N 3.07Å; G198-K201 WeakPolarHBondContact O-CB 3.4Å; G198-K201 PolarHBondContact O-N 3.27Å; G198-M202 WeakPolarHBondContact O-CG 3.42Å; G198-M202 PolarHBondContact O-N 3.07Å
199A98.7Very high98.8Very high14 Ų1452 Ų5212%0.11628%0.281CS..Hα-helixtrans-66.1-45.1-179.200000111.3I195 E197 K201 M202 L203 C216 F338 T339I195-A199 VanDerWaalsContact O-CB 3.3Å; I195-A199 WeakPolarHBondContact O-CB 3.27Å; I195-A199 PolarHBondContact O-N 3.31Å; E197-A199 VanDerWaalsContact C-N 3.34Å; E197-A199 PolarHBondContact O-N 3.42Å; A199-K201 VanDerWaalsContact C-N 3.29Å; A199-K201 PolarHBondContact O-N 3.1Å; A199-M202 PolarHBondContact O-N 3.13Å; A199-L203 WeakPolarHBondContact O-CG 3.38Å; A199-L203 PolarHBondContact O-N 3.16Å; A199-C216 HydrophobicContact CB-CB 4.33Å; A199-F338 HydrophobicContact CB-CE2 4.37Å; A199-F338 HydrophobicContact CB-CZ 4.2Å; A199-T339 HydrophobicContact CB-CG2 4.01Å
200K98.8Very high98.8Very high122 Ų12251.9 Ų51.953%0.5328%0.281SS..Hα-helixtrans-56.3-44.7172.4-69.9170.3-168.6170.90111.4A196 E197 L203 S204A196-K200 VanDerWaalsContact O-CG 3.3Å; A196-K200 WeakPolarHBondContact O-CG 3.37Å; A196-K200 PolarHBondContact O-N 3.15Å; E197-K200 PolarHBondContact O-N 3.05Å; E197-K200 IonicContact OE1-NZ 3.52Å; E197-K200 PolarHBondContact OE1-NZ 3.31Å; E197-K200 IonicContact OE2-NZ 3.6Å; K200-L203 PolarHBondContact O-N 3.46Å; K200-S204 WeakPolarHBondContact O-CB 3.48Å; K200-S204 PolarHBondContact O-N 3.42Å
201K98.8Very high98.8Very high124 Ų12454.3 Ų54.354%0.53929%0.292SS..Hα-helixtrans-60.6-51.3178.4-178.3-177176-1750111.5E197 G198 A199 L203 S204 M205E197-K201 WeakPolarHBondContact O-CB 3.38Å; E197-K201 PolarHBondContact O-N 3.35Å; G198-K201 WeakPolarHBondContact O-CB 3.4Å; G198-K201 PolarHBondContact O-N 3.27Å; A199-K201 VanDerWaalsContact C-N 3.29Å; A199-K201 PolarHBondContact O-N 3.1Å; K201-L203 VanDerWaalsContact C-N 3.35Å; K201-L203 PolarHBondContact O-N 3.2Å; K201-S204 PolarHBondContact O-N 3.32Å; K201-S204 VanDerWaalsContact O-N 3.17Å; K201-S204 PolarHBondContact O-OG 3.4Å; K201-M205 HydrophobicContact CG-SD 4.07Å; K201-M205 WeakPolarHBondContact O-CG 3.24Å; K201-M205 PolarHBondContact O-N 2.66Å; K201-M205 VanDerWaalsContact O-N 3.09Å
202M98.9Very high98.8Very high18 Ų1853.2 Ų53.29%0.08929%0.286CS..Hα-helixtrans-58.2-46.7179.6-68-53.3122.300111.8G198 A199 S204 M205 G206 I207 L215 C216 F338G198-M202 WeakPolarHBondContact O-CG 3.42Å; G198-M202 PolarHBondContact O-N 3.07Å; A199-M202 PolarHBondContact O-N 3.13Å; M202-S204 VanDerWaalsContact C-N 3.35Å; M202-S204 PolarHBondContact O-N 3.2Å; M202-M205 PolarHBondContact O-N 3.09Å; M202-M205 VanDerWaalsContact O-N 3.15Å; M202-G206 PolarHBondContact O-N 3Å; M202-I207 CarbonylContact C-O 3.44Å; M202-I207 HydrophobicContact CB-CB 4.32Å; M202-I207 WeakPolarHBondContact O-CB 3.47Å; M202-I207 PolarHBondContact O-N 3.22Å; M202-I207 HydrophobicContact SD-CD1 3.86Å; M202-L215 HydrophobicContact CE-CB 4.42Å; M202-L215 HydrophobicContact CG-CB 4.29Å; M202-L215 HydrophobicContact SD-CB 3.68Å; M202-L215 HydrophobicContact SD-CD1 4.38Å; M202-C216 HydrophobicContact CG-CB 3.83Å; M202-F338 HydrophobicContact CB-CE1 3.83Å; M202-F338 HydrophobicContact CB-CZ 3.97Å
203L98.8Very high98.8Very high38 Ų3853.2 Ų53.220%0.19929%0.286CS..Hα-helixtrans-62.7-39.4176.9-68.2176.2000112.6A199 K200 K201 M205 G206 R208 D337 F338 T339A199-L203 WeakPolarHBondContact O-CG 3.38Å; A199-L203 PolarHBondContact O-N 3.16Å; K200-L203 PolarHBondContact O-N 3.46Å; K201-L203 VanDerWaalsContact C-N 3.35Å; K201-L203 PolarHBondContact O-N 3.2Å; L203-M205 PolarHBondContact O-N 3.46Å; L203-G206 PolarHBondContact O-N 3.23Å; L203-R208 HydrophobicContact CD2-CG 4.13Å; L203-D337 WeakPolarHBondContact CD2-OD1 3.24Å; L203-F338 HydrophobicContact CD2-CD1 4.05Å; L203-F338 HydrophobicContact CD2-CE1 3.83Å; L203-F338 HydrophobicContact CG-CE1 4.02Å; L203-T339 HydrophobicContact CD1-CG2 3.88Å; L203-T339 HydrophobicContact CG-CG2 4.49Å
204S98.7Very high98.8Very high99 Ų9951 Ų5169%0.69227%0.274SS*.Hα-helixtrans-65.1-26.517777.10000113.2K200 K201 M202 G206K200-S204 WeakPolarHBondContact O-CB 3.48Å; K200-S204 PolarHBondContact O-N 3.42Å; K201-S204 PolarHBondContact O-N 3.32Å; K201-S204 VanDerWaalsContact O-N 3.17Å; K201-S204 PolarHBondContact O-OG 3.4Å; M202-S204 VanDerWaalsContact C-N 3.35Å; M202-S204 PolarHBondContact O-N 3.2Å; S204-G206 VanDerWaalsContact C-N 3.26Å
205M98.7Very high98.8Very high116 Ų11650 Ų5057%0.57127%0.269SS*.THydrogen-bonded Turntrans-84.10.6174.5-66.5173.25900112.7K201 M202 L203 I207K201-M205 HydrophobicContact CG-SD 4.07Å; K201-M205 WeakPolarHBondContact O-CG 3.24Å; K201-M205 PolarHBondContact O-N 2.66Å; K201-M205 VanDerWaalsContact O-N 3.09Å; M202-M205 PolarHBondContact O-N 3.09Å; M202-M205 VanDerWaalsContact O-N 3.15Å; L203-M205 PolarHBondContact O-N 3.46Å; M205-I207 VanDerWaalsContact C-N 3.28Å; M205-I207 HydrophobicContact CB-CD1 4.36Å; M205-I207 HydrophobicContact CB-CG1 4.3Å; M205-I207 HydrophobicContact CE-CD1 4.22Å; M205-I207 PolarHBondContact O-N 3.08Å
206G98.6Very high98.8Very high50 Ų5049.3 Ų49.352%0.51527%0.265SS..THydrogen-bonded Turntrans78.96.8-176.600000114.3M202 L203 S204 R208M202-G206 PolarHBondContact O-N 3Å; L203-G206 PolarHBondContact O-N 3.23Å; S204-G206 VanDerWaalsContact C-N 3.26Å; G206-R208 PolarHBondContact O-N 3.04Å
207I98.8Very high98.8Very high39 Ų3948.9 Ų48.920%0.226%0.258CS..  trans-80.7101.4175.7-55.7173.5000107.7M202 M205 E211 L215M202-I207 CarbonylContact C-O 3.44Å; M202-I207 HydrophobicContact CB-CB 4.32Å; M202-I207 WeakPolarHBondContact O-CB 3.47Å; M202-I207 PolarHBondContact O-N 3.22Å; M202-I207 HydrophobicContact SD-CD1 3.86Å; M205-I207 VanDerWaalsContact C-N 3.28Å; M205-I207 HydrophobicContact CB-CD1 4.36Å; M205-I207 HydrophobicContact CB-CG1 4.3Å; M205-I207 HydrophobicContact CE-CD1 4.22Å; M205-I207 PolarHBondContact O-N 3.08Å; I207-E211 HydrophobicContact CG2-CG 4.02Å; I207-L215 HydrophobicContact CD1-CD1 4.43Å
208R98.6Very high98.8Very high121 Ų12146.3 Ų46.346%0.45725%0.25SS..  trans-114.6-12.7-173.1-69.6174.1172.7-74.8-7.9113.6L203 G206 D336 F338L203-R208 HydrophobicContact CD2-CG 4.13Å; G206-R208 PolarHBondContact O-N 3.04Å; R208-D336 VanDerWaalsContact CD-O 3.31Å; R208-D336 WeakPolarHBondContact CD-O 3.09Å; R208-D336 PolarHBondContact NH1-O 3.14Å; R208-F338 PolarHBondContact O-N 3.17Å; R208-F338 VanDerWaalsContact O-N 3.08Å
209G98.8Very high98.8Very high12 Ų1247.9 Ų47.912%0.12425%0.254CS..SBendtrans-79.7173.4179.200000113.1E211 G212 F338G209-E211 WeakPolarHBondContact CA-OE1 3.22Å; G209-E211 VanDerWaalsContact CA-OE2 3.24Å; G209-E211 WeakPolarHBondContact CA-OE2 3.39Å; G209-E211 PolarHBondContact N-OE1 3.46Å; G209-E211 PolarHBondContact O-N 3.14Å; G209-E211 VanDerWaalsContact O-N 3.15Å; G209-G212 PolarHBondContact O-N 2.81Å; G209-F338 WeakPolarHBondContact O-CB 3.32Å
210P98.9Very high98.8Very high2 Ų253 Ų531%0.01328%0.276CS..THydrogen-bonded Turntrans-54.9-26.5178.9-28.738.7000114.8G212 H213 Y280 A288 A289 V292 I341P210-G212 PolarHBondContact O-N 3Å; P210-H213 WeakPolarHBondContact O-CB 3.42Å; P210-H213 PolarHBondContact O-N 2.99Å; P210-Y280 HydrophobicContact CB-CD1 4.07Å; P210-A288 HydrophobicContact CB-CB 3.92Å; P210-A288 HydrophobicContact CG-CB 3.72Å; P210-A289 HydrophobicContact CG-CB 4.11Å; P210-V292 HydrophobicContact CB-CG2 3.78Å; P210-V292 HydrophobicContact CG-CG2 4.39Å; P210-I341 HydrophobicContact CG-CD1 4.08Å
211E98.9Very high98.8Very high51 Ų5147.8 Ų47.824%0.23825%0.254CS..Hα-helixtrans-60.2-32.1172.771.6-68.7167.400112.7I207 G209 H213 E214 L215 W281I207-E211 HydrophobicContact CG2-CG 4.02Å; G209-E211 WeakPolarHBondContact CA-OE1 3.22Å; G209-E211 VanDerWaalsContact CA-OE2 3.24Å; G209-E211 WeakPolarHBondContact CA-OE2 3.39Å; G209-E211 PolarHBondContact N-OE1 3.46Å; G209-E211 PolarHBondContact O-N 3.14Å; G209-E211 VanDerWaalsContact O-N 3.15Å; E211-H213 PolarHBondContact O-N 2.92Å; E211-E214 PolarHBondContact O-N 3.27Å; E211-L215 WeakPolarHBondContact O-CB 3.36Å; E211-L215 VanDerWaalsContact O-CG 3.26Å; E211-L215 WeakPolarHBondContact O-CG 3.39Å; E211-L215 PolarHBondContact O-N 3.1Å; E211-W281 HydrophobicContact CB-CD2 3.98Å; E211-W281 HydrophobicContact CB-CG 4.29Å; E211-W281 HydrophobicContact CB-CZ2 4.02Å
212G98.9Very high98.8Very high0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-63.3-26.7174.700000113.1G209 P210 C216 F338G209-G212 PolarHBondContact O-N 2.81Å; P210-G212 PolarHBondContact O-N 3Å; G212-C216 VanDerWaalsContact O-CB 3.29Å; G212-C216 WeakPolarHBondContact O-CB 3.47Å; G212-C216 PolarHBondContact O-N 2.9Å; G212-C216 PolarHBondContact O-SG 3.21Å; G212-C216 VanDerWaalsContact O-SG 3.41Å; G212-F338 WeakPolarHBondContact O-CZ 3.43Å
213H98.9Very high98.8Very high1 Ų141.8 Ų41.81%0.00523%0.23CC..Hα-helixtrans-72-33.3179.1176.598.9000113.2P210 E211 C216 R217 V292 M293 F338P210-H213 WeakPolarHBondContact O-CB 3.42Å; P210-H213 PolarHBondContact O-N 2.99Å; E211-H213 PolarHBondContact O-N 2.92Å; H213-C216 PolarHBondContact O-SG 3.14Å; H213-R217 PolarHBondContact CE1-NH2 3.05Å; H213-R217 PolarHBondContact ND1-NH2 2.99Å; H213-R217 WeakPolarHBondContact O-CG 3.49Å; H213-R217 PolarHBondContact O-NE 3.12Å; H213-V292 VanDerWaalsContact CE1-CG1 3.46Å; H213-V292 WeakPolarHBondContact CE1-CG1 3.45Å; H213-M293 PolarHBondContact NE2-O 2.87Å; H213-F338 HydrophobicContact CB-CB 4.41Å; H213-F338 HydrophobicContact CB-CD2 3.59Å; H213-F338 HydrophobicContact CB-CE2 4.18Å; H213-F338 HydrophobicContact CB-CG 4.21Å
214E98.8Very high98.8Very high13 Ų1343.4 Ų43.46%0.06124%0.236CC..Hα-helixtrans-78.5-49.1172.6-165.2-72.1152.200110E211 C216 R217 Y280 W281 P296 P299E211-E214 PolarHBondContact O-N 3.27Å; E214-C216 PolarHBondContact O-N 3.05Å; E214-C216 VanDerWaalsContact O-N 3.12Å; E214-R217 CarbonylContact O-C 3.57Å; E214-R217 PolarHBondContact O-N 2.77Å; E214-Y280 HydrophobicContact CB-CD2 3.8Å; E214-Y280 HydrophobicContact CB-CE2 4.09Å; E214-Y280 HydrophobicContact CG-CD2 4.12Å; E214-Y280 HydrophobicContact CG-CE2 4.25Å; E214-W281 HydrophobicContact CB-CH2 4.09Å; E214-W281 HydrophobicContact CB-CZ3 4.28Å; E214-W281 HydrophobicContact CG-CH2 4.25Å; E214-W281 HydrophobicContact CG-CZ3 4.34Å; E214-W281 WeakPolarHBondContact OE2-CH2 3.26Å; E214-P296 HydrophobicContact CB-CB 4.37Å; E214-P296 HydrophobicContact CG-CB 4.25Å; E214-P296 HydrophobicContact CG-CG 4.25Å; E214-P299 HydrophobicContact CG-CG 4.44Å; E214-P299 VanDerWaalsContact OE1-CD 3.24Å; E214-P299 WeakPolarHBondContact OE1-CD 3.43Å
215L98.8Very high98.8Very high70 Ų7038.7 Ų38.737%0.36620%0.203SC..Hα-helixtrans-61.2-26.5-176.8-70.4172000113.8M202 I207 E211 R217 W281M202-L215 HydrophobicContact CE-CB 4.42Å; M202-L215 HydrophobicContact CG-CB 4.29Å; M202-L215 HydrophobicContact SD-CB 3.68Å; M202-L215 HydrophobicContact SD-CD1 4.38Å; I207-L215 HydrophobicContact CD1-CD1 4.43Å; E211-L215 WeakPolarHBondContact O-CB 3.36Å; E211-L215 VanDerWaalsContact O-CG 3.26Å; E211-L215 WeakPolarHBondContact O-CG 3.39Å; E211-L215 PolarHBondContact O-N 3.1Å; L215-R217 VanDerWaalsContact C-N 3.26Å; L215-R217 PolarHBondContact O-N 3.03Å; L215-W281 HydrophobicContact CD1-CZ2 4.16Å; L215-W281 HydrophobicContact CD2-CH2 4.4Å; L215-W281 HydrophobicContact CD2-CZ2 3.99Å; L215-W281 HydrophobicContact CG-CH2 4.3Å; L215-W281 HydrophobicContact CG-CZ2 3.9Å
216C98.7Very high98.8Very high5 Ų533.1 Ų33.13%0.03418%0.176CC..THydrogen-bonded Turntrans-76.6-12.2176.574.10000114.1A199 M202 G212 H213 E214 F338A199-C216 HydrophobicContact CB-CB 4.33Å; M202-C216 HydrophobicContact CG-CB 3.83Å; G212-C216 VanDerWaalsContact O-CB 3.29Å; G212-C216 WeakPolarHBondContact O-CB 3.47Å; G212-C216 PolarHBondContact O-N 2.9Å; G212-C216 PolarHBondContact O-SG 3.21Å; G212-C216 VanDerWaalsContact O-SG 3.41Å; H213-C216 PolarHBondContact O-SG 3.14Å; E214-C216 PolarHBondContact O-N 3.05Å; E214-C216 VanDerWaalsContact O-N 3.12Å; C216-F338 HydrophobicContact CB-CZ 4.33Å
217R98.7Very high98.8Very high16 Ų1634.9 Ų34.96%0.0617%0.171CC..SBendtrans-152.263.9-174.151.3176.4150-157.3-29.1111.3E190 I195 H213 E214 L215 V221 P296 R298E190-R217 VanDerWaalsContact OE1-CD 3.32Å; E190-R217 WeakPolarHBondContact OE1-CD 3.48Å; E190-R217 IonicContact OE2-NH1 2.72Å; I195-R217 HydrophobicContact CG1-CB 3.94Å; H213-R217 PolarHBondContact CE1-NH2 3.05Å; H213-R217 PolarHBondContact ND1-NH2 2.99Å; H213-R217 WeakPolarHBondContact O-CG 3.49Å; H213-R217 PolarHBondContact O-NE 3.12Å; E214-R217 CarbonylContact O-C 3.57Å; E214-R217 PolarHBondContact O-N 2.77Å; L215-R217 VanDerWaalsContact C-N 3.26Å; L215-R217 PolarHBondContact O-N 3.03Å; R217-V221 HydrophobicContact CB-CB 4.49Å; R217-V221 HydrophobicContact CB-CG1 4.35Å; R217-P296 HydrophobicContact CG-CG 4Å; R217-R298 PolarHBondContact O-NH1 3.11Å
218P98.8Very high98.8Very high48 Ų4835.2 Ų35.231%0.31217%0.17SC..  trans-61.2168176.232.7-39.2000110.6E220 V221P218-E220 VanDerWaalsContact CB-OE2 3.31Å; P218-E220 WeakPolarHBondContact CB-OE2 3.16Å; P218-E220 PolarHBondContact O-N 2.86Å; P218-V221 HydrophobicContact CG-CG2 4.4Å; P218-V221 VanDerWaalsContact O-CB 3.32Å; P218-V221 WeakPolarHBondContact O-CB 3.47Å; P218-V221 PolarHBondContact O-N 3Å
219E98.8Very high98.9Very high46 Ų4629.4 Ų29.422%0.21515%0.148CC..Hα-helixtrans-59.4-24.1-167.163.5174.192.500115.2V221 E222 A223 S247 S249E219-V221 PolarHBondContact O-N 3.14Å; E219-E222 WeakPolarHBondContact O-CB 3.45Å; E219-E222 PolarHBondContact O-N 2.78Å; E219-A223 PolarHBondContact O-N 3.17Å; E219-S247 VanDerWaalsContact CB-CB 3.45Å; E219-S249 WeakPolarHBondContact CG-OG 3.1Å; E219-S249 WeakPolarHBondContact OE2-CB 3.19Å; E219-S249 PolarHBondContact OE2-N 2.77Å; E219-S249 VanDerWaalsContact OE2-N 3.1Å; E219-S249 PolarHBondContact OE2-OG 3.04Å
220E98.9Very high98.9Very high123 Ų12329.2 Ų29.258%0.57514%0.144SC*.Hα-helixtrans-61.6-29.9175.6-58.685.3171.200112.4P218 E222 A223 E224P218-E220 VanDerWaalsContact CB-OE2 3.31Å; P218-E220 WeakPolarHBondContact CB-OE2 3.16Å; P218-E220 PolarHBondContact O-N 2.86Å; E220-E222 VanDerWaalsContact C-N 3.31Å; E220-A223 PolarHBondContact O-N 2.98Å; E220-E224 WeakPolarHBondContact O-CB 3.34Å; E220-E224 PolarHBondContact O-N 3.2Å
221V98.9Very high98.9Very high11 Ų1132.5 Ų32.57%0.06716%0.164CC..Hα-helixtrans-67.2-34176.5176.90000111.4E190 N191 L194 I195 R217 P218 E219E190-V221 HydrophobicContact CB-CG1 4.2Å; N191-V221 HydrophobicContact CB-CG1 4.01Å; N191-V221 PolarHBondContact N-O 3.25Å; N191-V221 VanDerWaalsContact N-O 3.1Å; L194-V221 HydrophobicContact CB-CG1 4.33Å; L194-V221 HydrophobicContact CB-CG2 4.25Å; L194-V221 HydrophobicContact CD1-CG2 4.29Å; I195-V221 HydrophobicContact CG1-CG1 3.98Å; R217-V221 HydrophobicContact CB-CB 4.49Å; R217-V221 HydrophobicContact CB-CG1 4.35Å; P218-V221 HydrophobicContact CG-CG2 4.4Å; P218-V221 VanDerWaalsContact O-CB 3.32Å; P218-V221 WeakPolarHBondContact O-CB 3.47Å; P218-V221 PolarHBondContact O-N 3Å; E219-V221 PolarHBondContact O-N 3.14Å
222E98.9Very high98.9Very high4 Ų431 Ų312%0.01916%0.157CC..Hα-helixtrans-76.8-45.1174.3-172.6-167.8173.900110.7A189 E190 E219 E220 E224 A225 T226 M246 S247 A250 P295 R298A189-E222 WeakPolarHBondContact O-CA 3.47Å; A189-E222 VanDerWaalsContact O-O 3.1Å; E190-E222 HydrophobicContact CG-CB 4.37Å; E219-E222 WeakPolarHBondContact O-CB 3.45Å; E219-E222 PolarHBondContact O-N 2.78Å; E220-E222 VanDerWaalsContact C-N 3.31Å; E222-E224 PolarHBondContact O-N 2.6Å; E222-A225 PolarHBondContact O-N 2.94Å; E222-T226 VanDerWaalsContact O-CB 3.31Å; E222-T226 WeakPolarHBondContact O-CB 3.49Å; E222-T226 PolarHBondContact O-N 3.2Å; E222-T226 PolarHBondContact O-OG1 3.39Å; E222-M246 PolarHBondContact OE1-N 2.92Å; E222-S247 VanDerWaalsContact CD-OG 3.3Å; E222-S247 WeakPolarHBondContact OE2-CB 3.45Å; E222-S247 PolarHBondContact OE2-N 3.43Å; E222-S247 PolarHBondContact OE2-OG 2.86Å; E222-A250 HydrophobicContact CB-CB 4.37Å; E222-A250 HydrophobicContact CG-CB 3.69Å; E222-P295 HydrophobicContact CG-CG 4.35Å; E222-R298 IonicContact OE2-CZ 3.68Å; E222-R298 IonicContact OE2-NE 2.73Å; E222-R298 IonicContact OE2-NH2 2.83Å; E222-R298 PolarHBondContact OE2-NH2 3.45Å
223A98.9Very high98.9Very high13 Ų1331.1 Ų31.111%0.10716%0.158CC..Hα-helixtrans-63.4-41.7-17800000113.1E219 E220 T226 Q227 V253E219-A223 PolarHBondContact O-N 3.17Å; E220-A223 PolarHBondContact O-N 2.98Å; A223-T226 PolarHBondContact O-N 3.39Å; A223-Q227 PolarHBondContact O-N 2.77Å; A223-V253 HydrophobicContact CB-CG2 4.38Å
224E98.9Very high98.9Very high71 Ų7134.9 Ų34.933%0.33218%0.175SC..Hα-helixtrans-58.1-55175.8-176.3-78131.200111.1N191 E220 E222 T226 Q227 R228N191-E224 WeakPolarHBondContact CB-OE2 3.3Å; N191-E224 PolarHBondContact ND2-OE2 3.44Å; E220-E224 WeakPolarHBondContact O-CB 3.34Å; E220-E224 PolarHBondContact O-N 3.2Å; E222-E224 PolarHBondContact O-N 2.6Å; E224-T226 VanDerWaalsContact C-N 3.29Å; E224-T226 PolarHBondContact O-N 3Å; E224-Q227 PolarHBondContact O-N 3.46Å; E224-R228 PolarHBondContact O-N 3.47Å; E224-R228 IonicContact OE1-CZ 2.75Å; E224-R228 IonicContact OE1-NE 2.83Å; E224-R228 PolarHBondContact OE1-NE 3.05Å; E224-R228 IonicContact OE1-NH2 2.69Å; E224-R228 IonicContact OE2-CZ 3.8Å; E224-R228 IonicContact OE2-NE 2.67Å; E224-R228 IonicContact OE2-NH2 3.92Å; E224-R228 PolarHBondContact OE2-NH2 3.03Å
225A98.9Very high98.9Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-64.8-35.5-177.800000111.8M158 A189 E222 R228 A229M158-A225 HydrophobicContact CB-CB 4.46Å; M158-A225 HydrophobicContact CE-CB 3.75Å; M158-A225 WeakPolarHBondContact CE-O 3.5Å; M158-A225 HydrophobicContact SD-CB 3.96Å; M158-A225 VanDerWaalsContact SD-O 3.39Å; A189-A225 VanDerWaalsContact C-CB 3.43Å; A189-A225 HydrophobicContact CB-CB 4.22Å; E222-A225 PolarHBondContact O-N 2.94Å; A225-R228 PolarHBondContact O-N 3.44Å; A225-A229 WeakPolarHBondContact O-CB 3.41Å; A225-A229 PolarHBondContact O-N 2.86Å
226T98.9Very high98.9Very high0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-59.6-48.3173.8-61.80000111E222 A223 E224 R228 A229 I230 V242 V253 V254E222-T226 VanDerWaalsContact O-CB 3.31Å; E222-T226 WeakPolarHBondContact O-CB 3.49Å; E222-T226 PolarHBondContact O-N 3.2Å; E222-T226 PolarHBondContact O-OG1 3.39Å; A223-T226 PolarHBondContact O-N 3.39Å; E224-T226 VanDerWaalsContact C-N 3.29Å; E224-T226 PolarHBondContact O-N 3Å; T226-R228 PolarHBondContact O-N 3.33Å; T226-A229 PolarHBondContact O-N 3.45Å; T226-I230 HydrophobicContact CG2-CD1 4Å; T226-I230 WeakPolarHBondContact O-CD1 3.35Å; T226-I230 VanDerWaalsContact O-CG1 3.3Å; T226-I230 WeakPolarHBondContact O-CG1 3.49Å; T226-I230 PolarHBondContact O-N 3.41Å; T226-I230 VanDerWaalsContact O-N 3.09Å; T226-V242 HydrophobicContact CG2-CG1 4.18Å; T226-V242 HydrophobicContact CG2-CG2 4.17Å; T226-V253 HydrophobicContact CG2-CB 4.17Å; T226-V253 HydrophobicContact CG2-CG1 3.74Å; T226-V254 HydrophobicContact CG2-CG2 3.86Å
227Q98.9Very high98.9Very high87 Ų8737.3 Ų37.341%0.40719%0.193SC..Hα-helixtrans-64-42.3177.8179.359.766.600111.5A223 E224 I230 T231 V253A223-Q227 PolarHBondContact O-N 2.77Å; E224-Q227 PolarHBondContact O-N 3.46Å; Q227-I230 PolarHBondContact O-N 2.87Å; Q227-T231 PolarHBondContact NE2-OG1 2.94Å; Q227-T231 WeakPolarHBondContact O-CB 3.23Å; Q227-T231 PolarHBondContact O-N 3.23Å; Q227-T231 PolarHBondContact O-OG1 2.79Å; Q227-V253 HydrophobicContact CB-CG1 3.77Å
228R98.9Very high98.9Very high45 Ų4536.8 Ų36.817%0.1719%0.192CC..Hα-helixtrans-63.4-45.8178.6176.7157.149.2101.4-0.7111.9M158 D168 N191 E224 A225 T226 I230 T231 I232M158-R228 HydrophobicContact CE-CB 4.07Å; M158-R228 HydrophobicContact CE-CG 3.97Å; D168-R228 IonicContact OD1-CZ 2.78Å; D168-R228 IonicContact OD1-NH1 3.68Å; D168-R228 PolarHBondContact OD1-NH1 3.42Å; D168-R228 WeakPolarHBondContact OD2-CD 3.43Å; D168-R228 IonicContact OD2-NH1 3.84Å; N191-R228 PolarHBondContact ND2-NH2 2.91Å; E224-R228 PolarHBondContact O-N 3.47Å; E224-R228 IonicContact OE1-CZ 2.75Å; E224-R228 IonicContact OE1-NE 2.83Å; E224-R228 PolarHBondContact OE1-NE 3.05Å; E224-R228 IonicContact OE1-NH2 2.69Å; E224-R228 IonicContact OE2-CZ 3.8Å; E224-R228 IonicContact OE2-NE 2.67Å; E224-R228 IonicContact OE2-NH2 3.92Å; E224-R228 PolarHBondContact OE2-NH2 3.03Å; A225-R228 PolarHBondContact O-N 3.44Å; T226-R228 PolarHBondContact O-N 3.33Å; R228-I230 PolarHBondContact O-N 3.41Å; R228-T231 WeakPolarHBondContact O-CB 3.34Å; R228-T231 PolarHBondContact O-N 2.79Å; R228-T231 VanDerWaalsContact O-N 3.16Å; R228-I232 HydrophobicContact CG-CD1 3.95Å; R228-I232 WeakPolarHBondContact O-CG1 3.43Å; R228-I232 PolarHBondContact O-N 3.44Å
229A98.9Very high98.9Very high0 Ų034.5 Ų34.50%018%0.177CC..Hα-helixtrans-58.8-46.3175.100000112.3M158 V187 A225 T226 T231 I232 A233 L240M158-A229 HydrophobicContact SD-CB 3.76Å; V187-A229 HydrophobicContact CB-CB 4.47Å; V187-A229 HydrophobicContact CG1-CB 4.36Å; V187-A229 HydrophobicContact CG2-CB 3.98Å; A225-A229 WeakPolarHBondContact O-CB 3.41Å; A225-A229 PolarHBondContact O-N 2.86Å; T226-A229 PolarHBondContact O-N 3.45Å; A229-T231 VanDerWaalsContact C-N 3.26Å; A229-T231 PolarHBondContact O-N 2.67Å; A229-I232 PolarHBondContact O-N 2.89Å; A229-A233 VanDerWaalsContact O-CB 3.3Å; A229-A233 WeakPolarHBondContact O-CB 3.49Å; A229-A233 PolarHBondContact O-N 2.68Å; A229-L240 HydrophobicContact CB-CD2 3.92Å
230I98.9Very high98.9Very high7 Ų732.4 Ų32.44%0.03617%0.167CC..Hα-helixtrans-58.5-41.8176.6-73.1166.3000111T226 Q227 R228 H234 L240 V253 V254 A257 R262 V264T226-I230 HydrophobicContact CG2-CD1 4Å; T226-I230 WeakPolarHBondContact O-CD1 3.35Å; T226-I230 VanDerWaalsContact O-CG1 3.3Å; T226-I230 WeakPolarHBondContact O-CG1 3.49Å; T226-I230 PolarHBondContact O-N 3.41Å; T226-I230 VanDerWaalsContact O-N 3.09Å; Q227-I230 PolarHBondContact O-N 2.87Å; R228-I230 PolarHBondContact O-N 3.41Å; I230-H234 VanDerWaalsContact O-CB 3.29Å; I230-H234 WeakPolarHBondContact O-CB 3.49Å; I230-H234 PolarHBondContact O-N 3.29Å; I230-L240 HydrophobicContact CB-CD2 4.33Å; I230-L240 HydrophobicContact CG1-CD2 3.71Å; I230-V253 HydrophobicContact CD1-CG1 3.87Å; I230-V254 HydrophobicContact CD1-CG2 4.48Å; I230-A257 HydrophobicContact CD1-CB 3.87Å; I230-A257 HydrophobicContact CG2-CB 3.77Å; I230-R262 HydrophobicContact CG2-CB 4.38Å; I230-R262 HydrophobicContact CG2-CG 4.1Å; I230-V264 HydrophobicContact CD1-CG1 4.39Å; I230-V264 HydrophobicContact CD1-CG2 4.19Å; I230-V264 HydrophobicContact CG1-CB 4.4Å; I230-V264 HydrophobicContact CG1-CG2 3.96Å
231T98.9Very high98.9Very high71 Ų7126.6 Ų26.644%0.43614%0.14SC..Hα-helixtrans-64.3-50.1-179.9-55.30000110.8Q227 R228 A229 H234 V235Q227-T231 PolarHBondContact NE2-OG1 2.94Å; Q227-T231 WeakPolarHBondContact O-CB 3.23Å; Q227-T231 PolarHBondContact O-N 3.23Å; Q227-T231 PolarHBondContact O-OG1 2.79Å; R228-T231 WeakPolarHBondContact O-CB 3.34Å; R228-T231 PolarHBondContact O-N 2.79Å; R228-T231 VanDerWaalsContact O-N 3.16Å; A229-T231 VanDerWaalsContact C-N 3.26Å; A229-T231 PolarHBondContact O-N 2.67Å; T231-H234 PolarHBondContact O-N 3.49Å; T231-V235 WeakPolarHBondContact O-CG2 3.38Å; T231-V235 PolarHBondContact O-N 2.8Å; T231-V235 VanDerWaalsContact O-N 3.08Å
232I98.9Very high98.9Very high20 Ų2026.1 Ų26.110%0.10314%0.137CC..Hα-helixtrans-61.2-48178.6-61.7165.7000110.4D168 L171 F175 R228 A229 H234 V235 V236D168-I232 HydrophobicContact CB-CD1 4.07Å; L171-I232 HydrophobicContact CB-CD1 4.34Å; L171-I232 HydrophobicContact CB-CG2 4.5Å; L171-I232 HydrophobicContact CD1-CD1 4.24Å; F175-I232 HydrophobicContact CD2-CB 4.24Å; F175-I232 HydrophobicContact CD2-CG2 3.74Å; F175-I232 HydrophobicContact CE2-CB 4.11Å; F175-I232 HydrophobicContact CE2-CG2 3.98Å; R228-I232 HydrophobicContact CG-CD1 3.95Å; R228-I232 WeakPolarHBondContact O-CG1 3.43Å; R228-I232 PolarHBondContact O-N 3.44Å; A229-I232 PolarHBondContact O-N 2.89Å; I232-H234 VanDerWaalsContact C-N 3.27Å; I232-H234 PolarHBondContact O-N 3.45Å; I232-V235 PolarHBondContact O-N 3.1Å; I232-V235 VanDerWaalsContact O-N 3.17Å; I232-V236 PolarHBondContact O-N 2.94Å
233A98.9Very high98.9Very high2 Ų226 Ų262%0.01714%0.136CC..Hα-helixtrans-60.2-38.8179.100000112F175 A229 V236 N237 C238 L240F175-A233 HydrophobicContact CD2-CB 3.83Å; F175-A233 HydrophobicContact CE2-CB 4.06Å; A229-A233 VanDerWaalsContact O-CB 3.3Å; A229-A233 WeakPolarHBondContact O-CB 3.49Å; A229-A233 PolarHBondContact O-N 2.68Å; A233-V236 WeakPolarHBondContact O-CG2 3.45Å; A233-V236 PolarHBondContact O-N 2.93Å; A233-N237 PolarHBondContact O-N 2.95Å; A233-N237 VanDerWaalsContact O-N 3.09Å; A233-C238 PolarHBondContact O-N 2.9Å; A233-L240 HydrophobicContact CB-CB 3.9Å; A233-L240 HydrophobicContact CB-CD1 4.14Å; A233-L240 HydrophobicContact CB-CD2 4.04Å; A233-L240 HydrophobicContact CB-CG 4.26Å
234H98.8Very high98.9Very high80 Ų8025.5 Ų25.537%0.3713%0.132SC..Hα-helixtrans-64.6-42.6176-179.362.4000112.7I230 T231 I232 V236 N237 R262I230-H234 VanDerWaalsContact O-CB 3.29Å; I230-H234 WeakPolarHBondContact O-CB 3.49Å; I230-H234 PolarHBondContact O-N 3.29Å; T231-H234 PolarHBondContact O-N 3.49Å; I232-H234 VanDerWaalsContact C-N 3.27Å; I232-H234 PolarHBondContact O-N 3.45Å; H234-V236 PolarHBondContact O-N 2.76Å; H234-N237 PolarHBondContact O-N 3.15Å; H234-R262 PolarHBondContact CD2-NH1 2.79Å; H234-R262 PolarHBondContact CE1-NH1 2.76Å; H234-R262 PolarHBondContact ND1-NH1 3.16Å; H234-R262 PolarHBondContact NE2-NH1 2.92Å
235V98.6Very high98.9Very high99 Ų9922.1 Ų22.160%0.612%0.116SC*.Hα-helixtrans-56.5-39.5179.1171.10000111.4Y172 T231 I232Y172-V235 HydrophobicContact CE2-CG1 3.87Å; T231-V235 WeakPolarHBondContact O-CG2 3.38Å; T231-V235 PolarHBondContact O-N 2.8Å; T231-V235 VanDerWaalsContact O-N 3.08Å; I232-V235 PolarHBondContact O-N 3.1Å; I232-V235 VanDerWaalsContact O-N 3.17Å
236V98.6Very high98.9Very high18 Ų1822.1 Ų22.111%0.10912%0.116CC..THydrogen-bonded Turntrans-92.34.3178.2-61.30000113.7Y172 F175 A176 K179 I232 A233 H234 C238Y172-V236 HydrophobicContact CD1-CG1 4.33Å; Y172-V236 HydrophobicContact CD2-CG1 3.57Å; Y172-V236 HydrophobicContact CE1-CG1 4.04Å; Y172-V236 HydrophobicContact CE2-CG1 3.23Å; Y172-V236 HydrophobicContact CG-CG1 4.1Å; Y172-V236 VanDerWaalsContact CZ-CG1 3.47Å; F175-V236 HydrophobicContact CB-CG2 3.73Å; A176-V236 HydrophobicContact CB-CB 4.44Å; A176-V236 HydrophobicContact CB-CG1 4.28Å; K179-V236 WeakPolarHBondContact CD-O 3.48Å; I232-V236 PolarHBondContact O-N 2.94Å; A233-V236 WeakPolarHBondContact O-CG2 3.45Å; A233-V236 PolarHBondContact O-N 2.93Å; H234-V236 PolarHBondContact O-N 2.76Å; V236-C238 HydrophobicContact CG2-CB 3.65Å; V236-C238 PolarHBondContact O-N 2.83Å
237N98.8Very high98.9Very high23 Ų2322.1 Ų22.112%0.12312%0.116CC..THydrogen-bonded Turntrans51.239.6-173.5-169.338.3000113.1K179 A233 H234 I472 R475 D476K179-N237 HydrophobicContact CD-CB 4.44Å; K179-N237 VanDerWaalsContact CD-O 3.25Å; K179-N237 WeakPolarHBondContact CD-O 3.31Å; K179-N237 VanDerWaalsContact CE-O 3.27Å; K179-N237 WeakPolarHBondContact CE-O 3.39Å; A233-N237 PolarHBondContact O-N 2.95Å; A233-N237 VanDerWaalsContact O-N 3.09Å; H234-N237 PolarHBondContact O-N 3.15Å; N237-I472 PolarHBondContact ND2-O 3.11Å; N237-I472 WeakPolarHBondContact O-CG2 3.42Å; N237-I472 WeakPolarHBondContact OD1-CD1 3.45Å; N237-R475 WeakPolarHBondContact OD1-CD 3.35Å; N237-D476 PolarHBondContact ND2-OD1 3.27Å
238C98.9Very high98.9Very high5 Ų520.1 Ų20.13%0.03411%0.106CC..  trans-93135.5176.3-176.80000110.5F175 K179 A233 V236F175-C238 HydrophobicContact CB-CB 4.02Å; F175-C238 WeakPolarHBondContact O-CB 3.45Å; F175-C238 PolarHBondContact O-SG 3.43Å; K179-C238 HydrophobicContact CB-CB 4.12Å; A233-C238 PolarHBondContact O-N 2.9Å; V236-C238 HydrophobicContact CG2-CB 3.65Å; V236-C238 PolarHBondContact O-N 2.83Å
239P98.9Very high98.9Very high0 Ų019.5 Ų19.50%011%0.109CC..  trans-69.4133.6171.829.2-33.6000111.2I184 A185 V263 V468 Y469 I472I184-P239 HydrophobicContact CG1-CB 4.31Å; A185-P239 PolarHBondContact N-O 3Å; A185-P239 VanDerWaalsContact N-O 3.12Å; P239-V263 HydrophobicContact CB-CG1 3.81Å; P239-V468 HydrophobicContact CB-CG1 3.24Å; P239-V468 HydrophobicContact CG-CG1 3.49Å; P239-V468 VanDerWaalsContact CG-CG1 3.49Å; P239-Y469 HydrophobicContact CG-CE1 4.35Å; P239-Y469 HydrophobicContact CG-CE2 3.81Å; P239-I472 HydrophobicContact CB-CG1 4.45Å
240L98.9Very high98.9Very high2 Ų219.5 Ų19.51%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-115.6146.6-175.6-169.269.6000112F175 A185 V187 A229 I230 A233 V242 V263 V264 F265F175-L240 HydrophobicContact CE1-CD1 4.5Å; F175-L240 HydrophobicContact CE2-CD1 4.24Å; F175-L240 HydrophobicContact CZ-CD1 4.05Å; A185-L240 HydrophobicContact CB-CD1 4.08Å; A185-L240 CarbonylContact O-C 3.42Å; A185-L240 WeakPolarHBondContact O-CA 3.25Å; V187-L240 HydrophobicContact CB-CD1 4.44Å; V187-L240 HydrophobicContact CG1-CD1 3.71Å; V187-L240 HydrophobicContact CG2-CD1 3.84Å; V187-L240 HydrophobicContact CG2-CD2 4.28Å; V187-L240 HydrophobicContact CG2-CG 4.15Å; A229-L240 HydrophobicContact CB-CD2 3.92Å; I230-L240 HydrophobicContact CB-CD2 4.33Å; I230-L240 HydrophobicContact CG1-CD2 3.71Å; A233-L240 HydrophobicContact CB-CB 3.9Å; A233-L240 HydrophobicContact CB-CD1 4.14Å; A233-L240 HydrophobicContact CB-CD2 4.04Å; A233-L240 HydrophobicContact CB-CG 4.26Å; L240-V242 HydrophobicContact CD2-CG2 4.35Å; L240-V263 PolarHBondContact N-O 3.06Å; L240-V264 HydrophobicContact CB-CB 4.41Å; L240-V264 HydrophobicContact CB-CG2 4.16Å; L240-V264 HydrophobicContact CD2-CG2 4.23Å; L240-V264 HydrophobicContact CG-CG2 4.37Å; L240-V264 CarbonylContact O-C 3.37Å; L240-V264 VanDerWaalsContact O-CA 3.26Å; L240-V264 WeakPolarHBondContact O-CA 3.34Å; L240-F265 PolarHBondContact O-N 2.77Å
241Y98.9Very high98.9Very high0 Ų019.1 Ų19.10%011%0.107CC..EExtended strand (participates in β ladder)trans-130.2112.5174.7-171.4-74.4000108.8T62 I184 A185 Q186 V187 V243 F265 E267 V318 I381 F382T62-Y241 PolarHBondContact OG1-OH 2.83Å; I184-Y241 HydrophobicContact CD1-CD2 4.16Å; I184-Y241 HydrophobicContact CD1-CG 4.49Å; A185-Y241 PolarHBondContact O-N 3.42Å; Q186-Y241 CarbonylContact C-O 3.49Å; Q186-Y241 VanDerWaalsContact CA-O 3.23Å; Q186-Y241 WeakPolarHBondContact CA-O 3.43Å; Q186-Y241 HydrophobicContact CG-CD1 3.9Å; Q186-Y241 HydrophobicContact CG-CG 4.08Å; V187-Y241 PolarHBondContact N-O 2.82Å; Y241-V243 HydrophobicContact CD1-CG1 3.69Å; Y241-V243 HydrophobicContact CE1-CB 4.48Å; Y241-V243 HydrophobicContact CE1-CG1 3.71Å; Y241-V243 PolarHBondContact O-N 2.89Å; Y241-F265 CarbonylContact C-O 3.55Å; Y241-F265 WeakPolarHBondContact CA-O 3.38Å; Y241-F265 HydrophobicContact CD2-CB 3.92Å; Y241-F265 HydrophobicContact CE2-CB 4.42Å; Y241-E267 HydrophobicContact CE1-CB 3.48Å; Y241-E267 VanDerWaalsContact CE1-CB 3.48Å; Y241-E267 HydrophobicContact CE1-CG 4.11Å; Y241-E267 VanDerWaalsContact OH-CB 3.3Å; Y241-E267 WeakPolarHBondContact OH-CB 3.42Å; Y241-E267 VanDerWaalsContact OH-CD 3.27Å; Y241-E267 VanDerWaalsContact OH-CG 3.31Å; Y241-E267 WeakPolarHBondContact OH-CG 3.39Å; Y241-E267 PolarHBondContact OH-OE2 3.44Å; Y241-V318 HydrophobicContact CE2-CG1 3.73Å; Y241-V318 WeakPolarHBondContact OH-CG1 3.43Å; Y241-I381 HydrophobicContact CD2-CD1 4.43Å; Y241-I381 HydrophobicContact CD2-CG2 4.13Å; Y241-I381 HydrophobicContact CE2-CD1 4.04Å; Y241-I381 HydrophobicContact CE2-CG2 4.25Å; Y241-F382 HydrophobicContact CD2-CZ 4.27Å; Y241-F382 HydrophobicContact CE2-CE2 4.31Å; Y241-F382 AromaticContact CE2-CZ 3.84Å; Y241-F382 HydrophobicContact CE2-CZ 3.84Å
242V98.9Very high98.9Very high1 Ų120.4 Ų20.41%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-87.4107.7176.3-173.40000107.3V187 A189 T226 L240 V245 V254 V264 F265 E267V187-V242 HydrophobicContact CG2-CB 4.49Å; V187-V242 HydrophobicContact CG2-CG2 4.12Å; A189-V242 HydrophobicContact CB-CG1 4.32Å; T226-V242 HydrophobicContact CG2-CG1 4.18Å; T226-V242 HydrophobicContact CG2-CG2 4.17Å; L240-V242 HydrophobicContact CD2-CG2 4.35Å; V242-V245 HydrophobicContact CB-CG2 4.21Å; V242-V245 HydrophobicContact CG1-CG2 3.84Å; V242-V254 HydrophobicContact CB-CG2 4.31Å; V242-V254 HydrophobicContact CG2-CG2 4.09Å; V242-V264 HydrophobicContact CG2-CG2 3.91Å; V242-F265 PolarHBondContact N-O 2.79Å; V242-E267 PolarHBondContact O-N 2.96Å
243V98.9Very high98.9Very high1 Ų120.5 Ų20.51%0.00611%0.108CC..  trans-73.4158.6178.5-68.30000110.8F97 Q186 V187 H188 Y241 V245 E267F97-V243 HydrophobicContact CZ-CG1 4.41Å; Q186-V243 HydrophobicContact CB-CG1 4.08Å; Q186-V243 HydrophobicContact CG-CG1 4.25Å; V187-V243 WeakPolarHBondContact O-CG2 3.49Å; V187-V243 PolarHBondContact O-N 2.78Å; H188-V243 HydrophobicContact CB-CG2 4.35Å; Y241-V243 HydrophobicContact CD1-CG1 3.69Å; Y241-V243 HydrophobicContact CE1-CB 4.48Å; Y241-V243 HydrophobicContact CE1-CG1 3.71Å; Y241-V243 PolarHBondContact O-N 2.89Å; V243-V245 PolarHBondContact O-N 2.98Å; V243-E267 WeakPolarHBondContact CA-OE1 3.29Å; V243-E267 WeakPolarHBondContact CB-OE1 3.31Å
244H98.6Very high98.9Very high3 Ų320.4 Ų20.41%0.01411%0.107CC..SBendtrans34.262.6172.956.336.3000114.3H63 H188 M246 E267 I269 P295 D322H63-H244 AromaticContact CE1-CD2 3.3Å; H63-H244 PolarHBondContact CE1-CD2 3.05Å; H63-H244 AromaticContact CE1-CG 3.97Å; H63-H244 AromaticContact NE2-CD2 3.98Å; H188-H244 AromaticContact CE1-CE1 3.82Å; H188-H244 AromaticContact CE1-NE2 3.86Å; H188-H244 AromaticContact CG-CE1 3.57Å; H188-H244 AromaticContact CG-NE2 3.67Å; H188-H244 AromaticContact ND1-CE1 3.02Å; H188-H244 PolarHBondContact ND1-CE1 2.69Å; H188-H244 AromaticContact ND1-NE2 2.89Å; H188-H244 PolarHBondContact ND1-NE2 2.99Å; H244-M246 WeakPolarHBondContact O-CG 3.47Å; H244-M246 PolarHBondContact O-N 3.06Å; H244-E267 CarbonylContact C-O 3.6Å; H244-E267 WeakPolarHBondContact CA-O 3.47Å; H244-E267 PolarHBondContact N-O 2.71Å; H244-E267 PolarHBondContact N-OE1 3.49Å; H244-I269 HydrophobicContact CB-CD1 4.25Å; H244-I269 HydrophobicContact CB-CG2 3.96Å; H244-P295 VanDerWaalsContact CE1-CD 3.42Å; H244-P295 WeakPolarHBondContact CE1-CD 3.47Å; H244-P295 VanDerWaalsContact ND1-CD 3.28Å; H244-P295 WeakPolarHBondContact ND1-CD 3.18Å; H244-D322 IonicContact CD2-OD2 3.39Å
245V98.9Very high98.9Very high0 Ų016.6 Ų16.60%09%0.09CC..  trans-69.3112.5173.3179.90000108.4V242 V243 A250 A251 E267 L307 L316V242-V245 HydrophobicContact CB-CG2 4.21Å; V242-V245 HydrophobicContact CG1-CG2 3.84Å; V243-V245 PolarHBondContact O-N 2.98Å; V245-A250 HydrophobicContact CG1-CB 4.25Å; V245-A251 HydrophobicContact CG1-CB 3.78Å; V245-E267 PolarHBondContact N-O 2.87Å; V245-L307 HydrophobicContact CG1-CD2 4.42Å; V245-L316 HydrophobicContact CB-CD2 4.37Å; V245-L316 HydrophobicContact CG1-CD2 4.26Å; V245-L316 HydrophobicContact CG2-CD2 4.23Å
246M98.9Very high98.9Very high1 Ų114.3 Ų14.31%0.0057%0.074CC..  trans-106.1-17.1-171.8-62.5-54.3-7500113.7E222 H244 I269 M293 P295 L297 R298 T303E222-M246 PolarHBondContact OE1-N 2.92Å; H244-M246 WeakPolarHBondContact O-CG 3.47Å; H244-M246 PolarHBondContact O-N 3.06Å; M246-I269 HydrophobicContact CE-CD1 4.14Å; M246-I269 HydrophobicContact CE-CG1 4.39Å; M246-I269 HydrophobicContact SD-CD1 3.62Å; M246-I269 HydrophobicContact SD-CG1 3.6Å; M246-M293 HydrophobicContact CE-CE 4.34Å; M246-M293 HydrophobicContact CE-SD 3.97Å; M246-M293 HydrophobicContact SD-CE 4.46Å; M246-P295 HydrophobicContact CB-CB 4.12Å; M246-P295 HydrophobicContact CG-CB 3.84Å; M246-P295 HydrophobicContact CG-CG 4.15Å; M246-L297 HydrophobicContact CE-CB 4.48Å; M246-L297 HydrophobicContact CE-CD2 3.52Å; M246-L297 HydrophobicContact CE-CG 3.81Å; M246-R298 VanDerWaalsContact O-CG 3.27Å; M246-R298 WeakPolarHBondContact O-CG 3.19Å; M246-T303 WeakPolarHBondContact O-CG2 3.42Å
247S98.9Very high98.9Very high0 Ų013.7 Ų13.70%07%0.071CC..SBendtrans-121.4158-174.660.40000115E219 E222 S249 A250 A251E219-S247 VanDerWaalsContact CB-CB 3.45Å; E222-S247 VanDerWaalsContact CD-OG 3.3Å; E222-S247 WeakPolarHBondContact OE2-CB 3.45Å; E222-S247 PolarHBondContact OE2-N 3.43Å; E222-S247 PolarHBondContact OE2-OG 2.86Å; S247-S249 PolarHBondContact OG-OG 3.19Å; S247-A250 VanDerWaalsContact OG-CB 3.24Å; S247-A250 WeakPolarHBondContact OG-CB 3.34Å; S247-A250 PolarHBondContact OG-N 3.41Å; S247-A251 VanDerWaalsContact O-CB 3.25Å; S247-A251 WeakPolarHBondContact O-CB 3.17Å; S247-A251 PolarHBondContact O-N 3.44Å
248K98.9Very high98.9Very high44 Ų4415 Ų1519%0.1917%0.074CC..Hα-helixtrans-63.7-42.7173.6-60.1-176.1175.2173.70112.2A251 K252 D300 S302 T303 Y306K248-A251 PolarHBondContact O-N 2.99Å; K248-K252 WeakPolarHBondContact O-CB 3.15Å; K248-K252 PolarHBondContact O-N 2.68Å; K248-D300 WeakPolarHBondContact CE-OD2 3.49Å; K248-D300 IonicContact NZ-OD1 2.82Å; K248-D300 IonicContact NZ-OD2 3.21Å; K248-D300 PolarHBondContact NZ-OD2 3.12Å; K248-S302 VanDerWaalsContact CE-C 3.43Å; K248-S302 WeakPolarHBondContact CE-O 3.36Å; K248-S302 PolarHBondContact NZ-OG 3.46Å; K248-T303 HydrophobicContact CG-CG2 4.23Å; K248-Y306 HydrophobicContact CB-CD1 3.75Å; K248-Y306 HydrophobicContact CB-CE1 3.82Å; K248-Y306 HydrophobicContact CB-CG 4.49Å; K248-Y306 HydrophobicContact CD-CD1 4.18Å; K248-Y306 HydrophobicContact CD-CG 4.13Å; K248-Y306 HydrophobicContact CG-CD1 3.55Å; K248-Y306 HydrophobicContact CG-CE1 4.15Å; K248-Y306 HydrophobicContact CG-CG 3.94Å
249S98.9Very high98.9Very high32 Ų3222.2 Ų22.222%0.22410%0.1CC..Hα-helixtrans-64.7-46.418052.10000112.1E219 S247 K252 V253E219-S249 WeakPolarHBondContact CG-OG 3.1Å; E219-S249 WeakPolarHBondContact OE2-CB 3.19Å; E219-S249 PolarHBondContact OE2-N 2.77Å; E219-S249 VanDerWaalsContact OE2-N 3.1Å; E219-S249 PolarHBondContact OE2-OG 3.04Å; S247-S249 PolarHBondContact OG-OG 3.19Å; S249-K252 WeakPolarHBondContact O-CB 3.3Å; S249-K252 PolarHBondContact O-N 3.27Å; S249-V253 WeakPolarHBondContact O-CG2 3.42Å; S249-V253 PolarHBondContact O-N 3.4Å
250A98.9Very high98.9Very high0 Ų027.6 Ų27.60%013%0.129CC..Hα-helixtrans-64.3-41.2174.900000112.2E222 V245 S247 K252 V253 V254E222-A250 HydrophobicContact CB-CB 4.37Å; E222-A250 HydrophobicContact CG-CB 3.69Å; V245-A250 HydrophobicContact CG1-CB 4.25Å; S247-A250 VanDerWaalsContact OG-CB 3.24Å; S247-A250 WeakPolarHBondContact OG-CB 3.34Å; S247-A250 PolarHBondContact OG-N 3.41Å; A250-K252 VanDerWaalsContact C-N 3.31Å; A250-K252 PolarHBondContact O-N 3.29Å; A250-V253 WeakPolarHBondContact O-CB 3.35Å; A250-V253 PolarHBondContact O-N 2.78Å; A250-V254 PolarHBondContact O-N 2.73Å
251A98.9Very high98.9Very high0 Ų028.5 Ų28.50%014%0.139CC..Hα-helixtrans-61.9-38.9174.700000112.3V245 S247 K248 V254 A255 Y306 L307 L310 L316V245-A251 HydrophobicContact CG1-CB 3.78Å; S247-A251 VanDerWaalsContact O-CB 3.25Å; S247-A251 WeakPolarHBondContact O-CB 3.17Å; S247-A251 PolarHBondContact O-N 3.44Å; K248-A251 PolarHBondContact O-N 2.99Å; A251-V254 PolarHBondContact O-N 3.27Å; A251-A255 WeakPolarHBondContact O-CB 3.4Å; A251-A255 PolarHBondContact O-N 2.98Å; A251-Y306 HydrophobicContact CB-CE1 4.48Å; A251-L307 HydrophobicContact CB-CD2 3.5Å; A251-L310 HydrophobicContact CB-CD2 3.57Å; A251-L316 HydrophobicContact CB-CD1 4.13Å; A251-L316 HydrophobicContact CB-CD2 4.38Å
252K98.9Very high98.9Very high97 Ų9732.1 Ų32.142%0.42215%0.153SC..Hα-helixtrans-63.3-41.7173.4175.4168.5170.545.80112K248 S249 A250 V254 A255 D256K248-K252 WeakPolarHBondContact O-CB 3.15Å; K248-K252 PolarHBondContact O-N 2.68Å; S249-K252 WeakPolarHBondContact O-CB 3.3Å; S249-K252 PolarHBondContact O-N 3.27Å; A250-K252 VanDerWaalsContact C-N 3.31Å; A250-K252 PolarHBondContact O-N 3.29Å; K252-V254 VanDerWaalsContact C-N 3.33Å; K252-V254 PolarHBondContact O-N 2.92Å; K252-A255 WeakPolarHBondContact O-CB 3.04Å; K252-A255 PolarHBondContact O-N 2.88Å; K252-D256 IonicContact NZ-OD1 2.93Å; K252-D256 PolarHBondContact NZ-OD1 3.34Å; K252-D256 IonicContact NZ-OD2 3.69Å; K252-D256 PolarHBondContact NZ-OD2 3.04Å; K252-D256 WeakPolarHBondContact O-CB 3.35Å; K252-D256 VanDerWaalsContact O-CG 3.25Å; K252-D256 PolarHBondContact O-N 3.02Å
253V98.9Very high98.8Very high23 Ų2332.6 Ų32.614%0.13916%0.155CC..Hα-helixtrans-59.2-45.3175.21690000110.9A223 T226 Q227 I230 S249 A250 A257A223-V253 HydrophobicContact CB-CG2 4.38Å; T226-V253 HydrophobicContact CG2-CB 4.17Å; T226-V253 HydrophobicContact CG2-CG1 3.74Å; Q227-V253 HydrophobicContact CB-CG1 3.77Å; I230-V253 HydrophobicContact CD1-CG1 3.87Å; S249-V253 WeakPolarHBondContact O-CG2 3.42Å; S249-V253 PolarHBondContact O-N 3.4Å; A250-V253 WeakPolarHBondContact O-CB 3.35Å; A250-V253 PolarHBondContact O-N 2.78Å; V253-A257 VanDerWaalsContact O-CB 3.27Å; V253-A257 WeakPolarHBondContact O-CB 3.3Å; V253-A257 PolarHBondContact O-N 3.18Å
254V98.9Very high98.9Very high0 Ų032.6 Ų32.60%016%0.156CC..Hα-helixtrans-61.5-46.6175.1174.60000111T226 I230 V242 A250 A251 K252 A257 R258 V264 L316T226-V254 HydrophobicContact CG2-CG2 3.86Å; I230-V254 HydrophobicContact CD1-CG2 4.48Å; V242-V254 HydrophobicContact CB-CG2 4.31Å; V242-V254 HydrophobicContact CG2-CG2 4.09Å; A250-V254 PolarHBondContact O-N 2.73Å; A251-V254 PolarHBondContact O-N 3.27Å; K252-V254 VanDerWaalsContact C-N 3.33Å; K252-V254 PolarHBondContact O-N 2.92Å; V254-A257 PolarHBondContact O-N 3.47Å; V254-R258 HydrophobicContact CG1-CG 4.42Å; V254-R258 VanDerWaalsContact O-CG 3.32Å; V254-R258 WeakPolarHBondContact O-CG 3.46Å; V254-R258 PolarHBondContact O-N 2.97Å; V254-V264 HydrophobicContact CG1-CG1 4.45Å; V254-L316 HydrophobicContact CG1-CD2 4.42Å
255A98.9Very high98.9Very high0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-58.4-50.8179.900000112A251 K252 A257 R258 R259 L310 D315A251-A255 WeakPolarHBondContact O-CB 3.4Å; A251-A255 PolarHBondContact O-N 2.98Å; K252-A255 WeakPolarHBondContact O-CB 3.04Å; K252-A255 PolarHBondContact O-N 2.88Å; A255-A257 PolarHBondContact O-N 3.47Å; A255-R258 PolarHBondContact O-N 3.48Å; A255-R259 WeakPolarHBondContact O-CG 3.24Å; A255-R259 PolarHBondContact O-N 3.39Å; A255-L310 HydrophobicContact CB-CD2 4.36Å; A255-D315 HydrophobicContact CB-CB 3.75Å; A255-D315 WeakPolarHBondContact CB-OD1 3.44Å
256D98.9Very high98.9Very high51 Ų5132.8 Ų32.827%0.27316%0.156SC..Hα-helixtrans-63.5-43.4179.9-66.3-15.1000110.7K252 R258 R259 D260K252-D256 IonicContact NZ-OD1 2.93Å; K252-D256 PolarHBondContact NZ-OD1 3.34Å; K252-D256 IonicContact NZ-OD2 3.69Å; K252-D256 PolarHBondContact NZ-OD2 3.04Å; K252-D256 WeakPolarHBondContact O-CB 3.35Å; K252-D256 VanDerWaalsContact O-CG 3.25Å; K252-D256 PolarHBondContact O-N 3.02Å; D256-R258 VanDerWaalsContact C-N 3.34Å; D256-R258 PolarHBondContact O-N 3.15Å; D256-R259 PolarHBondContact O-N 3.09Å; D256-R259 IonicContact OD1-CZ 3.67Å; D256-R259 IonicContact OD1-NH1 2.78Å; D256-R259 PolarHBondContact OD1-NH1 3.42Å; D256-D260 PolarHBondContact O-N 3.35Å
257A98.9Very high98.9Very high5 Ų532.7 Ų32.74%0.04116%0.156CC..Hα-helixtrans-61.4-38.6175.200000112.9I230 V253 V254 A255 D260 G261 R262 V264I230-A257 HydrophobicContact CD1-CB 3.87Å; I230-A257 HydrophobicContact CG2-CB 3.77Å; V253-A257 VanDerWaalsContact O-CB 3.27Å; V253-A257 WeakPolarHBondContact O-CB 3.3Å; V253-A257 PolarHBondContact O-N 3.18Å; V254-A257 PolarHBondContact O-N 3.47Å; A255-A257 PolarHBondContact O-N 3.47Å; A257-D260 PolarHBondContact O-N 2.83Å; A257-G261 PolarHBondContact O-N 3.12Å; A257-R262 HydrophobicContact CB-CB 4.13Å; A257-R262 HydrophobicContact CB-CG 3.89Å; A257-R262 VanDerWaalsContact O-CB 3.22Å; A257-R262 WeakPolarHBondContact O-CB 3.2Å; A257-R262 WeakPolarHBondContact O-CG 3.47Å; A257-R262 PolarHBondContact O-N 3.41Å; A257-V264 HydrophobicContact CB-CG1 3.94Å
258R98.8Very high98.9Very high51 Ų5132.7 Ų32.719%0.19216%0.156CC..Hα-helixtrans-65.2-40.7175.8-74.8172.259.574.8-2.3111.7V254 A255 D256 D260 G261 V264 D314 D315V254-R258 HydrophobicContact CG1-CG 4.42Å; V254-R258 VanDerWaalsContact O-CG 3.32Å; V254-R258 WeakPolarHBondContact O-CG 3.46Å; V254-R258 PolarHBondContact O-N 2.97Å; A255-R258 PolarHBondContact O-N 3.48Å; D256-R258 VanDerWaalsContact C-N 3.34Å; D256-R258 PolarHBondContact O-N 3.15Å; R258-D260 VanDerWaalsContact C-N 3.31Å; R258-D260 PolarHBondContact O-N 3.26Å; R258-G261 WeakPolarHBondContact O-CA 3.38Å; R258-G261 PolarHBondContact O-N 2.92Å; R258-V264 WeakPolarHBondContact CD-O 3.45Å; R258-V264 HydrophobicContact CG-CG1 3.72Å; R258-V264 WeakPolarHBondContact CG-O 3.46Å; R258-V264 PolarHBondContact NH1-O 3.26Å; R258-D314 PolarHBondContact NE-O 2.76Å; R258-D314 PolarHBondContact NH2-O 3.01Å; R258-D314 IonicContact NH2-OD2 3.69Å; R258-D314 PolarHBondContact NH2-OD2 2.84Å; R258-D315 WeakPolarHBondContact CD-O 3.37Å; R258-D315 PolarHBondContact NE-O 2.69Å
259R98.7Very high98.9Very high155 Ų15530.6 Ų30.659%0.58515%0.147SC*.Hα-helixtrans-64-35.6175.3-67179.6-149.5130.98112.3A255 D256 G261 D315A255-R259 WeakPolarHBondContact O-CG 3.24Å; A255-R259 PolarHBondContact O-N 3.39Å; D256-R259 PolarHBondContact O-N 3.09Å; D256-R259 IonicContact OD1-CZ 3.67Å; D256-R259 IonicContact OD1-NH1 2.78Å; D256-R259 PolarHBondContact OD1-NH1 3.42Å; R259-G261 PolarHBondContact O-N 2.86Å; R259-G261 VanDerWaalsContact O-N 3.11Å; R259-D315 IonicContact NE-OD1 2.92Å; R259-D315 IonicContact NH2-OD1 3.76Å; R259-D315 PolarHBondContact NH2-OD1 3.17Å
260D98.7Very high98.9Very high114 Ų11429.1 Ų29.161%0.6114%0.136SC*.THydrogen-bonded Turntrans-70.21.6170.3-75.7-1.4000113.5D256 A257 R258 R262D256-D260 PolarHBondContact O-N 3.35Å; A257-D260 PolarHBondContact O-N 2.83Å; R258-D260 VanDerWaalsContact C-N 3.31Å; R258-D260 PolarHBondContact O-N 3.26Å; D260-R262 VanDerWaalsContact C-N 3.35Å; D260-R262 HydrophobicContact CB-CG 4.46Å; D260-R262 PolarHBondContact O-N 3.15Å
261G98.7Very high98.9Very high20 Ų2029.1 Ų29.121%0.20614%0.136CC..THydrogen-bonded Turntrans76.315.5-179.800000113.7A257 R258 R259 R475A257-G261 PolarHBondContact O-N 3.12Å; R258-G261 WeakPolarHBondContact O-CA 3.38Å; R258-G261 PolarHBondContact O-N 2.92Å; R259-G261 PolarHBondContact O-N 2.86Å; R259-G261 VanDerWaalsContact O-N 3.11Å; G261-R475 PolarHBondContact O-NH1 3.48Å; G261-R475 PolarHBondContact O-NH2 3Å
262R98.7Very high98.9Very high77 Ų7729.2 Ų29.229%0.29114%0.137SC..  trans-62.6146.3170.7-49.4-55.5167.3-175.3-5.6109.6I230 H234 A257 D260 V264I230-R262 HydrophobicContact CG2-CB 4.38Å; I230-R262 HydrophobicContact CG2-CG 4.1Å; H234-R262 PolarHBondContact CD2-NH1 2.79Å; H234-R262 PolarHBondContact CE1-NH1 2.76Å; H234-R262 PolarHBondContact ND1-NH1 3.16Å; H234-R262 PolarHBondContact NE2-NH1 2.92Å; A257-R262 HydrophobicContact CB-CB 4.13Å; A257-R262 HydrophobicContact CB-CG 3.89Å; A257-R262 VanDerWaalsContact O-CB 3.22Å; A257-R262 WeakPolarHBondContact O-CB 3.2Å; A257-R262 WeakPolarHBondContact O-CG 3.47Å; A257-R262 PolarHBondContact O-N 3.41Å; D260-R262 VanDerWaalsContact C-N 3.35Å; D260-R262 HydrophobicContact CB-CG 4.46Å; D260-R262 PolarHBondContact O-N 3.15Å; R262-V264 VanDerWaalsContact C-N 3.29Å; R262-V264 HydrophobicContact CB-CG1 4.2Å; R262-V264 PolarHBondContact O-N 3.49Å; R262-V264 VanDerWaalsContact O-N 3.15Å
263V98.9Very high98.9Very high10 Ų1024.6 Ų24.66%0.06112%0.117CC..  trans-88.279174.1-172.80000107.6P239 L240 F265 R471 I472P239-V263 HydrophobicContact CB-CG1 3.81Å; L240-V263 PolarHBondContact N-O 3.06Å; V263-F265 HydrophobicContact CG1-CE2 4.27Å; V263-R471 HydrophobicContact CG2-CB 4.44Å; V263-I472 HydrophobicContact CB-CD1 3.83Å; V263-I472 HydrophobicContact CG1-CD1 4.17Å; V263-I472 HydrophobicContact CG1-CG1 4.47Å; V263-I472 HydrophobicContact CG2-CD1 3.52Å; V263-I472 HydrophobicContact CG2-CG1 4.33Å
264V98.9Very high98.9Very high2 Ų223.7 Ų23.71%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-129.8143.2177.863.90000110.9I230 L240 V242 V254 A257 R258 R262I230-V264 HydrophobicContact CD1-CG1 4.39Å; I230-V264 HydrophobicContact CD1-CG2 4.19Å; I230-V264 HydrophobicContact CG1-CB 4.4Å; I230-V264 HydrophobicContact CG1-CG2 3.96Å; L240-V264 HydrophobicContact CB-CB 4.41Å; L240-V264 HydrophobicContact CB-CG2 4.16Å; L240-V264 HydrophobicContact CD2-CG2 4.23Å; L240-V264 HydrophobicContact CG-CG2 4.37Å; L240-V264 CarbonylContact O-C 3.37Å; L240-V264 VanDerWaalsContact O-CA 3.26Å; L240-V264 WeakPolarHBondContact O-CA 3.34Å; V242-V264 HydrophobicContact CG2-CG2 3.91Å; V254-V264 HydrophobicContact CG1-CG1 4.45Å; A257-V264 HydrophobicContact CB-CG1 3.94Å; R258-V264 WeakPolarHBondContact CD-O 3.45Å; R258-V264 HydrophobicContact CG-CG1 3.72Å; R258-V264 WeakPolarHBondContact CG-O 3.46Å; R258-V264 PolarHBondContact NH1-O 3.26Å; R262-V264 VanDerWaalsContact C-N 3.29Å; R262-V264 HydrophobicContact CB-CG1 4.2Å; R262-V264 PolarHBondContact O-N 3.49Å; R262-V264 VanDerWaalsContact O-N 3.15Å
265F98.9Very high98.9Very high6 Ų624.4 Ų24.43%0.02612%0.117CC..EExtended strand (participates in β ladder)trans-120.7141.1172.5-52.9-85.8000108.8I184 L240 Y241 V242 V263 I381 F467 V468I184-F265 HydrophobicContact CD1-CD2 3.81Å; I184-F265 HydrophobicContact CD1-CE2 4Å; L240-F265 PolarHBondContact O-N 2.77Å; Y241-F265 CarbonylContact C-O 3.55Å; Y241-F265 WeakPolarHBondContact CA-O 3.38Å; Y241-F265 HydrophobicContact CD2-CB 3.92Å; Y241-F265 HydrophobicContact CE2-CB 4.42Å; V242-F265 PolarHBondContact N-O 2.79Å; V263-F265 HydrophobicContact CG1-CE2 4.27Å; F265-I381 HydrophobicContact CB-CD1 4.4Å; F265-I381 HydrophobicContact CD1-CD1 3.97Å; F265-I381 HydrophobicContact CD1-CG1 4.44Å; F265-I381 HydrophobicContact CE1-CD1 4.4Å; F265-I381 HydrophobicContact CE1-CG1 4.41Å; F265-I381 HydrophobicContact CG-CD1 4.08Å; F265-F467 HydrophobicContact CD1-CE1 4.42Å; F265-F467 HydrophobicContact CE1-CD1 4.25Å; F265-F467 AromaticContact CE1-CE1 3.5Å; F265-F467 HydrophobicContact CE1-CE1 3.5Å; F265-F467 VanDerWaalsContact CE1-CE1 3.5Å; F265-F467 HydrophobicContact CE1-CZ 4.16Å; F265-F467 HydrophobicContact CZ-CD1 4.2Å; F265-F467 AromaticContact CZ-CE1 3.9Å; F265-F467 HydrophobicContact CZ-CE1 3.9Å; F265-V468 HydrophobicContact CE2-CG1 4.38Å; F265-V468 HydrophobicContact CE2-CG2 4.17Å; F265-V468 HydrophobicContact CZ-CG2 4.34Å
266G98.9Very high98.9Very high0 Ų025.7 Ų25.70%012%0.123CC..EExtended strand (participates in β ladder)trans-112.3138.2172.300000111.1S317G266-S317 PolarHBondContact O-N 3.34Å
267E98.9Very high98.9Very high0 Ų023.2 Ų23.20%011%0.11CC..  trans-115.697.8178.5178.2-160.762.500110.5T62 H63 Y241 V242 V243 H244 V245 V318T62-E267 WeakPolarHBondContact CB-OE2 3.32Å; T62-E267 PolarHBondContact OG1-OE2 3.04Å; H63-E267 IonicContact CE1-OE1 3.84Å; H63-E267 IonicContact CG-OE1 2.73Å; H63-E267 IonicContact ND1-OE1 3.99Å; H63-E267 PolarHBondContact ND1-OE1 3.26Å; H63-E267 IonicContact ND1-OE2 3.17Å; Y241-E267 HydrophobicContact CE1-CB 3.48Å; Y241-E267 VanDerWaalsContact CE1-CB 3.48Å; Y241-E267 HydrophobicContact CE1-CG 4.11Å; Y241-E267 VanDerWaalsContact OH-CB 3.3Å; Y241-E267 WeakPolarHBondContact OH-CB 3.42Å; Y241-E267 VanDerWaalsContact OH-CD 3.27Å; Y241-E267 VanDerWaalsContact OH-CG 3.31Å; Y241-E267 WeakPolarHBondContact OH-CG 3.39Å; Y241-E267 PolarHBondContact OH-OE2 3.44Å; V242-E267 PolarHBondContact O-N 2.96Å; V243-E267 WeakPolarHBondContact CA-OE1 3.29Å; V243-E267 WeakPolarHBondContact CB-OE1 3.31Å; H244-E267 CarbonylContact C-O 3.6Å; H244-E267 WeakPolarHBondContact CA-O 3.47Å; H244-E267 PolarHBondContact N-O 2.71Å; H244-E267 PolarHBondContact N-OE1 3.49Å; V245-E267 PolarHBondContact N-O 2.87Å; E267-V318 WeakPolarHBondContact CA-O 3.4Å; E267-V318 HydrophobicContact CB-CG1 4.45Å
268P98.9Very high98.9Very high0 Ų026.2 Ų26.20%013%0.128CC..  trans-69.7157.4160.230.4-34.8000109.6L273 L311 L316 V318 T319 G320P268-L273 HydrophobicContact CB-CD1 4.17Å; P268-L273 HydrophobicContact CB-CD2 4.05Å; P268-L273 HydrophobicContact CB-CG 4.05Å; P268-L273 HydrophobicContact CG-CD1 4.22Å; P268-L273 HydrophobicContact CG-CD2 4.32Å; P268-L311 HydrophobicContact CG-CD1 4.05Å; P268-L311 HydrophobicContact CG-CD2 4.35Å; P268-L316 HydrophobicContact CB-CD1 4.06Å; P268-L316 HydrophobicContact CG-CB 4.04Å; P268-L316 HydrophobicContact CG-CD1 3.76Å; P268-L316 HydrophobicContact CG-CG 4.43Å; P268-V318 WeakPolarHBondContact CD-O 2.92Å; P268-T319 HydrophobicContact CG-CG2 4.31Å; P268-T319 WeakPolarHBondContact O-CA 3.35Å; P268-G320 PolarHBondContact O-N 3.31Å
269I98.9Very high98.9Very high0 Ų026 Ų260%013%0.129CC..BIsolated β-bridgetrans-115.6162.8177.757.8168.3000111.4H244 M246 A271 G272 L273 M293 G320 D322H244-I269 HydrophobicContact CB-CD1 4.25Å; H244-I269 HydrophobicContact CB-CG2 3.96Å; M246-I269 HydrophobicContact CE-CD1 4.14Å; M246-I269 HydrophobicContact CE-CG1 4.39Å; M246-I269 HydrophobicContact SD-CD1 3.62Å; M246-I269 HydrophobicContact SD-CG1 3.6Å; I269-A271 HydrophobicContact CD1-CB 3.99Å; I269-A271 HydrophobicContact CG1-CB 4.27Å; I269-A271 PolarHBondContact O-N 2.95Å; I269-A271 VanDerWaalsContact O-N 3.13Å; I269-G272 PolarHBondContact O-N 2.54Å; I269-G272 VanDerWaalsContact O-N 3.1Å; I269-L273 WeakPolarHBondContact O-CG 3.46Å; I269-L273 PolarHBondContact O-N 3.27Å; I269-L273 VanDerWaalsContact O-N 3.07Å; I269-M293 HydrophobicContact CD1-CE 3.25Å; I269-M293 HydrophobicContact CD1-SD 3.92Å; I269-G320 VanDerWaalsContact CA-O 3.25Å; I269-G320 WeakPolarHBondContact CA-O 3.41Å; I269-D322 HydrophobicContact CD1-CB 3.88Å; I269-D322 HydrophobicContact CG2-CB 4.28Å
270A98.9Very high98.9Very high0 Ų018.6 Ų18.60%010%0.101CC..Hα-helixtrans-48.7-41.5178.500000113.1L273 G274 G320 T321 R351 F424A270-L273 PolarHBondContact O-N 2.88Å; A270-G274 PolarHBondContact O-N 2.71Å; A270-G320 PolarHBondContact N-O 2.95Å; A270-G320 VanDerWaalsContact N-O 3.14Å; A270-T321 HydrophobicContact CB-CG2 4.1Å; A270-R351 HydrophobicContact CB-CB 4.08Å; A270-R351 HydrophobicContact CB-CG 4.16Å; A270-F424 HydrophobicContact CB-CE2 4.47Å; A270-F424 HydrophobicContact CB-CZ 4.01Å; A270-F424 WeakPolarHBondContact O-CZ 3.34Å
271A98.9Very high98.9Very high0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-59.1-55.5177.900000111.7I269 L273 G274 T275 M293 L297 V345 I423I269-A271 HydrophobicContact CD1-CB 3.99Å; I269-A271 HydrophobicContact CG1-CB 4.27Å; I269-A271 PolarHBondContact O-N 2.95Å; I269-A271 VanDerWaalsContact O-N 3.13Å; A271-L273 PolarHBondContact O-N 2.92Å; A271-G274 PolarHBondContact O-N 3.38Å; A271-T275 WeakPolarHBondContact O-CG2 3.37Å; A271-T275 PolarHBondContact O-N 3.19Å; A271-M293 HydrophobicContact CB-SD 4.17Å; A271-L297 HydrophobicContact CB-CD2 4.14Å; A271-L297 WeakPolarHBondContact O-CD2 3.38Å; A271-V345 HydrophobicContact CB-CG2 4.01Å; A271-I423 HydrophobicContact CB-CD1 3.52Å
272G98.9Very high98.9Very high2 Ų221.9 Ų21.92%0.02110%0.102CC..Hα-helixtrans-64.8-19.3179.800000114.4I269 P304I269-G272 PolarHBondContact O-N 2.54Å; I269-G272 VanDerWaalsContact O-N 3.1Å; G272-P304 WeakPolarHBondContact O-CA 3.34Å; G272-P304 WeakPolarHBondContact O-CB 3.13Å
273L98.9Very high98.9Very high1 Ų127.9 Ų27.91%0.00513%0.131CC..Hα-helixtrans-93.5-23176.7-66.1169.6000113.5P268 I269 A270 A271 L307 M308 L311 T319 I355P268-L273 HydrophobicContact CB-CD1 4.17Å; P268-L273 HydrophobicContact CB-CD2 4.05Å; P268-L273 HydrophobicContact CB-CG 4.05Å; P268-L273 HydrophobicContact CG-CD1 4.22Å; P268-L273 HydrophobicContact CG-CD2 4.32Å; I269-L273 WeakPolarHBondContact O-CG 3.46Å; I269-L273 PolarHBondContact O-N 3.27Å; I269-L273 VanDerWaalsContact O-N 3.07Å; A270-L273 PolarHBondContact O-N 2.88Å; A271-L273 PolarHBondContact O-N 2.92Å; L273-L307 HydrophobicContact CD2-CB 3.81Å; L273-M308 HydrophobicContact CB-CE 4Å; L273-M308 HydrophobicContact CD1-CE 4.31Å; L273-M308 HydrophobicContact CD2-CB 4.24Å; L273-M308 HydrophobicContact CD2-CE 4Å; L273-M308 HydrophobicContact CD2-SD 4.34Å; L273-M308 HydrophobicContact CG-CE 4.33Å; L273-L311 HydrophobicContact CD1-CD2 3.87Å; L273-L311 HydrophobicContact CD2-CD2 4.37Å; L273-T319 HydrophobicContact CD1-CG2 3.76Å; L273-I355 HydrophobicContact CD1-CD1 4.31Å; L273-I355 HydrophobicContact CD1-CG1 4.03Å
274G98.8Very high98.9Very high3 Ų331.5 Ų31.53%0.03115%0.15CC..Hα-helixtrans-105-29.3-171.600000115.1A270 A271 R358 M427A270-G274 PolarHBondContact O-N 2.71Å; A271-G274 PolarHBondContact O-N 3.38Å; G274-R358 PolarHBondContact O-NH2 3.03Å; G274-M427 WeakPolarHBondContact O-CE 3.45Å
275T98.9Very high98.9Very high16 Ų1634.4 Ų34.410%0.09816%0.161CC..  trans-147.3177.8-174.1-166.30000111.6A271 H279 F291 L297 P304 I423 F424A271-T275 WeakPolarHBondContact O-CG2 3.37Å; A271-T275 PolarHBondContact O-N 3.19Å; T275-H279 PolarHBondContact OG1-CD2 2.75Å; T275-H279 PolarHBondContact OG1-NE2 3.06Å; T275-F291 HydrophobicContact CG2-CD1 4.22Å; T275-F291 HydrophobicContact CG2-CE1 3.99Å; T275-L297 HydrophobicContact CG2-CD1 3.85Å; T275-L297 HydrophobicContact CG2-CD2 4.13Å; T275-P304 WeakPolarHBondContact O-CG 3.25Å; T275-I423 HydrophobicContact CG2-CD1 4.25Å; T275-F424 HydrophobicContact CG2-CE1 4.29Å
276D98.9Very high98.8Very high26 Ų2635.5 Ų35.514%0.13917%0.171CC..  trans-133.3177.6-175.468.748.5000113.1T278 H279 P304D276-T278 VanDerWaalsContact C-N 3.33Å; D276-T278 WeakPolarHBondContact OD1-CB 3.24Å; D276-T278 VanDerWaalsContact OD1-CG2 3.24Å; D276-T278 WeakPolarHBondContact OD1-CG2 3.28Å; D276-T278 PolarHBondContact OD1-N 3.04Å; D276-T278 PolarHBondContact OD1-OG1 2.79Å; D276-H279 PolarHBondContact O-CD2 3.14Å; D276-H279 VanDerWaalsContact O-CD2 3.28Å; D276-H279 IonicContact OD1-CD2 2.75Å; D276-P304 HydrophobicContact CB-CG 4.19Å
277G98.8Very high98.8Very high0 Ų038.5 Ų38.50%019%0.185CC..G310 helixtrans-82.8-2.1-175.500000114.6H279 Y280 L297 R298G277-H279 PolarHBondContact O-N 2.85Å; G277-H279 VanDerWaalsContact O-N 3.11Å; G277-Y280 WeakPolarHBondContact O-CB 3.41Å; G277-Y280 WeakPolarHBondContact O-CD2 3.41Å; G277-Y280 PolarHBondContact O-N 3.24Å; G277-L297 WeakPolarHBondContact CA-O 3.22Å; G277-R298 PolarHBondContact N-O 3.02Å
278T98.9Very high98.8Very high67 Ų6738.5 Ų38.541%0.41119%0.185SC..G310 helixtrans-60.7-24.3177.264.40000111.7D276 Y280 W281 P299D276-T278 VanDerWaalsContact C-N 3.33Å; D276-T278 WeakPolarHBondContact OD1-CB 3.24Å; D276-T278 VanDerWaalsContact OD1-CG2 3.24Å; D276-T278 WeakPolarHBondContact OD1-CG2 3.28Å; D276-T278 PolarHBondContact OD1-N 3.04Å; D276-T278 PolarHBondContact OD1-OG1 2.79Å; T278-Y280 PolarHBondContact O-N 3.11Å; T278-W281 PolarHBondContact O-N 3.02Å; T278-W281 VanDerWaalsContact O-N 3.07Å; T278-P299 WeakPolarHBondContact CG2-O 3.17Å
279H98.8Very high98.8Very high46 Ų4638.5 Ų38.521%0.21319%0.185CC..G310 helixtrans-57.5-26.1173.6-70.3-100000114T275 D276 G277 W281 H282 H287 A288 F291T275-H279 PolarHBondContact OG1-CD2 2.75Å; T275-H279 PolarHBondContact OG1-NE2 3.06Å; D276-H279 PolarHBondContact O-CD2 3.14Å; D276-H279 VanDerWaalsContact O-CD2 3.28Å; D276-H279 IonicContact OD1-CD2 2.75Å; G277-H279 PolarHBondContact O-N 2.85Å; G277-H279 VanDerWaalsContact O-N 3.11Å; H279-W281 PolarHBondContact O-N 2.82Å; H279-H282 WeakPolarHBondContact O-CB 3.27Å; H279-H282 PolarHBondContact O-N 3Å; H279-H282 VanDerWaalsContact O-N 3.15Å; H279-H287 AromaticContact CE1-NE2 3.89Å; H279-H287 AromaticContact CG-NE2 3.79Å; H279-H287 AromaticContact ND1-CE1 3.5Å; H279-H287 PolarHBondContact ND1-CE1 3.05Å; H279-H287 AromaticContact ND1-NE2 2.93Å; H279-H287 PolarHBondContact ND1-NE2 3.02Å; H279-A288 WeakPolarHBondContact O-CA 3.16Å; H279-A288 WeakPolarHBondContact O-CB 3.39Å; H279-F291 HydrophobicContact CB-CB 4.26Å; H279-F291 HydrophobicContact CB-CD1 3.77Å; H279-F291 HydrophobicContact CB-CD2 3.61Å; H279-F291 HydrophobicContact CB-CE1 4Å; H279-F291 HydrophobicContact CB-CE2 3.88Å; H279-F291 HydrophobicContact CB-CG 3.59Å; H279-F291 HydrophobicContact CB-CZ 4.08Å; H279-F291 AromaticContact CD2-CE1 3.91Å; H279-F291 AromaticContact CE1-CE1 3.84Å; H279-F291 AromaticContact CE1-CZ 3.54Å; H279-F291 AromaticContact CG-CD1 3.83Å; H279-F291 AromaticContact CG-CE1 3.54Å; H279-F291 AromaticContact CG-CE2 3.83Å; H279-F291 AromaticContact CG-CZ 3.58Å; H279-F291 AromaticContact ND1-CE1 3.48Å; H279-F291 WeakPolarHBondContact ND1-CE1 3.48Å; H279-F291 AromaticContact ND1-CE2 3.36Å; H279-F291 WeakPolarHBondContact ND1-CE2 3.35Å; H279-F291 AromaticContact ND1-CZ 3.05Å; H279-F291 WeakPolarHBondContact ND1-CZ 3.29Å
280Y98.9Very high98.8Very high1 Ų138.6 Ų38.60%0.00419%0.186CC..G310 helixtrans-66.7-23.8176-62.4-50.9000113.7P210 E214 G277 T278 H282 F291 V292 P296 L297P210-Y280 HydrophobicContact CB-CD1 4.07Å; E214-Y280 HydrophobicContact CB-CD2 3.8Å; E214-Y280 HydrophobicContact CB-CE2 4.09Å; E214-Y280 HydrophobicContact CG-CD2 4.12Å; E214-Y280 HydrophobicContact CG-CE2 4.25Å; G277-Y280 WeakPolarHBondContact O-CB 3.41Å; G277-Y280 WeakPolarHBondContact O-CD2 3.41Å; G277-Y280 PolarHBondContact O-N 3.24Å; T278-Y280 PolarHBondContact O-N 3.11Å; Y280-H282 VanDerWaalsContact C-N 3.32Å; Y280-F291 HydrophobicContact CD1-CB 4.25Å; Y280-F291 VanDerWaalsContact CE1-C 3.49Å; Y280-F291 HydrophobicContact CE1-CB 3.79Å; Y280-F291 WeakPolarHBondContact CE1-O 3.47Å; Y280-F291 PolarHBondContact OH-O 3.24Å; Y280-V292 HydrophobicContact CD1-CG2 4.19Å; Y280-V292 HydrophobicContact CE1-CB 4.41Å; Y280-V292 HydrophobicContact CE1-CG2 3.83Å; Y280-P296 HydrophobicContact CE2-CB 3.82Å; Y280-P296 WeakPolarHBondContact OH-CA 3.39Å; Y280-P296 WeakPolarHBondContact OH-CB 3.36Å; Y280-L297 HydrophobicContact CE2-CB 4.17Å; Y280-L297 WeakPolarHBondContact CE2-O 3.47Å; Y280-L297 PolarHBondContact OH-N 2.78Å
281W98.8Very high98.8Very high112 Ų11239 Ų3942%0.42419%0.188SC..G310 helixtrans-91.87.2176.4-78.3-96.1000113.2E211 E214 L215 T278 H279 P299E211-W281 HydrophobicContact CB-CD2 3.98Å; E211-W281 HydrophobicContact CB-CG 4.29Å; E211-W281 HydrophobicContact CB-CZ2 4.02Å; E214-W281 HydrophobicContact CB-CH2 4.09Å; E214-W281 HydrophobicContact CB-CZ3 4.28Å; E214-W281 HydrophobicContact CG-CH2 4.25Å; E214-W281 HydrophobicContact CG-CZ3 4.34Å; E214-W281 WeakPolarHBondContact OE2-CH2 3.26Å; L215-W281 HydrophobicContact CD1-CZ2 4.16Å; L215-W281 HydrophobicContact CD2-CH2 4.4Å; L215-W281 HydrophobicContact CD2-CZ2 3.99Å; L215-W281 HydrophobicContact CG-CH2 4.3Å; L215-W281 HydrophobicContact CG-CZ2 3.9Å; T278-W281 PolarHBondContact O-N 3.02Å; T278-W281 VanDerWaalsContact O-N 3.07Å; H279-W281 PolarHBondContact O-N 2.82Å; W281-P299 HydrophobicContact CH2-CB 4.39Å; W281-P299 HydrophobicContact CH2-CG 4.42Å; W281-P299 HydrophobicContact CZ3-CB 3.89Å; W281-P299 HydrophobicContact CZ3-CG 4.33Å
282H98.8Very high98.8Very high90 Ų9039 Ų3942%0.41719%0.188SC..  trans-62.1142.8177.6-169.1-92.1000111.2H279 Y280 D284 H287 A288H279-H282 WeakPolarHBondContact O-CB 3.27Å; H279-H282 PolarHBondContact O-N 3Å; H279-H282 VanDerWaalsContact O-N 3.15Å; Y280-H282 VanDerWaalsContact C-N 3.32Å; H282-D284 VanDerWaalsContact C-N 3.34Å; H282-D284 WeakPolarHBondContact ND1-CB 3.33Å; H282-D284 PolarHBondContact ND1-N 3.18Å; H282-D284 PolarHBondContact ND1-O 3.04Å; H282-D284 PolarHBondContact O-N 3.21Å; H282-H287 WeakPolarHBondContact CB-CD2 3.29Å; H282-H287 AromaticContact CD2-CD2 3.8Å; H282-H287 AromaticContact CD2-NE2 3.79Å; H282-H287 AromaticContact CE1-CG 3.96Å; H282-H287 AromaticContact CG-CD2 3.3Å; H282-H287 AromaticContact CG-CG 3.72Å; H282-H287 AromaticContact CG-NE2 3.76Å; H282-H287 AromaticContact ND1-CD2 3.65Å; H282-H287 AromaticContact ND1-CG 3.59Å; H282-A288 HydrophobicContact CB-CB 4.31Å
283K98.7Very high98.8Very high204 Ų20438.9 Ų38.989%0.88719%0.187SC*.SBendtrans-69.8-31.1-175.2-64.1-57.6-174.7-170.20113.4
284D98.7Very high98.8Very high86 Ų8639 Ų3946%0.4619%0.188SC..SBendtrans-79.3117.4168.7-1808000109.7H282 A286 H287 A288H282-D284 VanDerWaalsContact C-N 3.34Å; H282-D284 WeakPolarHBondContact ND1-CB 3.33Å; H282-D284 PolarHBondContact ND1-N 3.18Å; H282-D284 PolarHBondContact ND1-O 3.04Å; H282-D284 PolarHBondContact O-N 3.21Å; D284-A286 VanDerWaalsContact C-N 3.32Å; D284-A286 PolarHBondContact O-N 3.38Å; D284-A286 PolarHBondContact OD1-N 3.14Å; D284-H287 HydrophobicContact CB-CB 4.13Å; D284-H287 PolarHBondContact O-N 3.15Å; D284-A288 PolarHBondContact O-N 3.32Å; D284-A288 VanDerWaalsContact O-N 3.1Å
285W98.8Very high98.8Very high63 Ų6339 Ų3924%0.23919%0.187CC..Hα-helixtrans-60.5-39.2178.6179.893.9000112.2H287 A288 A289 K331 A332 K335 I341W285-H287 PolarHBondContact O-N 2.81Å; W285-A288 PolarHBondContact O-N 3.24Å; W285-A289 HydrophobicContact CD2-CB 4.26Å; W285-A289 HydrophobicContact CE3-CB 4.19Å; W285-A289 HydrophobicContact CH2-CB 3.49Å; W285-A289 VanDerWaalsContact CH2-CB 3.49Å; W285-A289 HydrophobicContact CZ2-CB 3.64Å; W285-A289 HydrophobicContact CZ3-CB 3.83Å; W285-A289 VanDerWaalsContact O-CB 3.27Å; W285-A289 WeakPolarHBondContact O-CB 3.36Å; W285-A289 PolarHBondContact O-N 3.09Å; W285-K331 HydrophobicContact CH2-CB 4.35Å; W285-K331 WeakPolarHBondContact CH2-O 3.4Å; W285-A332 VanDerWaalsContact CH2-CA 3.46Å; W285-A332 HydrophobicContact CH2-CB 4.33Å; W285-A332 HydrophobicContact CZ3-CB 4.21Å; W285-K335 HydrophobicContact CH2-CB 4.26Å; W285-K335 HydrophobicContact CZ2-CB 4Å; W285-I341 HydrophobicContact CZ2-CD1 3.9Å; W285-I341 HydrophobicContact CZ2-CG1 4.16Å
286A98.6Very high98.8Very high29 Ų2938.2 Ų38.224%0.2418%0.182CC..Hα-helixtrans-65.8-42.3-177.400000111.1D284 G290 V328D284-A286 VanDerWaalsContact C-N 3.32Å; D284-A286 PolarHBondContact O-N 3.38Å; D284-A286 PolarHBondContact OD1-N 3.14Å; A286-G290 PolarHBondContact O-N 3.29Å; A286-G290 VanDerWaalsContact O-N 3.1Å; A286-V328 HydrophobicContact CB-CG1 3.9Å
287H98.8Very high98.8Very high62 Ų6237 Ų3729%0.28718%0.176SC..Hα-helixtrans-57-55.6170177.2107.9000110.8H279 H282 D284 W285 A289 G290 F291H279-H287 AromaticContact CE1-NE2 3.89Å; H279-H287 AromaticContact CG-NE2 3.79Å; H279-H287 AromaticContact ND1-CE1 3.5Å; H279-H287 PolarHBondContact ND1-CE1 3.05Å; H279-H287 AromaticContact ND1-NE2 2.93Å; H279-H287 PolarHBondContact ND1-NE2 3.02Å; H282-H287 WeakPolarHBondContact CB-CD2 3.29Å; H282-H287 AromaticContact CD2-CD2 3.8Å; H282-H287 AromaticContact CD2-NE2 3.79Å; H282-H287 AromaticContact CE1-CG 3.96Å; H282-H287 AromaticContact CG-CD2 3.3Å; H282-H287 AromaticContact CG-CG 3.72Å; H282-H287 AromaticContact CG-NE2 3.76Å; H282-H287 AromaticContact ND1-CD2 3.65Å; H282-H287 AromaticContact ND1-CG 3.59Å; D284-H287 HydrophobicContact CB-CB 4.13Å; D284-H287 PolarHBondContact O-N 3.15Å; W285-H287 PolarHBondContact O-N 2.81Å; H287-A289 VanDerWaalsContact C-N 3.33Å; H287-A289 PolarHBondContact O-N 3.31Å; H287-G290 PolarHBondContact O-N 3.12Å; H287-F291 AromaticContact CD2-CE2 3.94Å; H287-F291 AromaticContact CE1-CE2 3.95Å; H287-F291 AromaticContact NE2-CE2 3.68Å; H287-F291 WeakPolarHBondContact O-CD2 3.41Å
288A98.9Very high98.8Very high1 Ų137.2 Ų37.21%0.00818%0.177CC..Hα-helixtrans-59.7-41.3-176.700000112.8P210 H279 H282 D284 W285 G290 F291P210-A288 HydrophobicContact CB-CB 3.92Å; P210-A288 HydrophobicContact CG-CB 3.72Å; H279-A288 WeakPolarHBondContact O-CA 3.16Å; H279-A288 WeakPolarHBondContact O-CB 3.39Å; H282-A288 HydrophobicContact CB-CB 4.31Å; D284-A288 PolarHBondContact O-N 3.32Å; D284-A288 VanDerWaalsContact O-N 3.1Å; W285-A288 PolarHBondContact O-N 3.24Å; A288-G290 VanDerWaalsContact C-N 3.27Å; A288-G290 PolarHBondContact O-N 2.9Å; A288-F291 PolarHBondContact O-N 2.73Å
289A98.8Very high98.8Very high0 Ų036.2 Ų36.20%017%0.172CC..Hα-helixtrans-66.5-28.3177.600000112.8P210 W285 H287 F291 V292 K331 I341P210-A289 HydrophobicContact CG-CB 4.11Å; W285-A289 HydrophobicContact CD2-CB 4.26Å; W285-A289 HydrophobicContact CE3-CB 4.19Å; W285-A289 HydrophobicContact CH2-CB 3.49Å; W285-A289 VanDerWaalsContact CH2-CB 3.49Å; W285-A289 HydrophobicContact CZ2-CB 3.64Å; W285-A289 HydrophobicContact CZ3-CB 3.83Å; W285-A289 VanDerWaalsContact O-CB 3.27Å; W285-A289 WeakPolarHBondContact O-CB 3.36Å; W285-A289 PolarHBondContact O-N 3.09Å; H287-A289 VanDerWaalsContact C-N 3.33Å; H287-A289 PolarHBondContact O-N 3.31Å; A289-F291 PolarHBondContact O-N 2.93Å; A289-V292 WeakPolarHBondContact O-CB 3.37Å; A289-V292 PolarHBondContact O-N 2.97Å; A289-V292 VanDerWaalsContact O-N 3.14Å; A289-K331 HydrophobicContact CB-CB 4.28Å; A289-K331 WeakPolarHBondContact O-CD 3.19Å; A289-K331 WeakPolarHBondContact O-CE 3.37Å; A289-K331 PolarHBondContact O-NZ 2.81Å; A289-I341 HydrophobicContact CB-CD1 4.19Å
290G98.6Very high98.8Very high2 Ų236.6 Ų36.62%0.02118%0.175CC..Hα-helixtrans-59.3-25.4176.300000113.9A286 H287 A288 Y421A286-G290 PolarHBondContact O-N 3.29Å; A286-G290 VanDerWaalsContact O-N 3.1Å; H287-G290 PolarHBondContact O-N 3.12Å; A288-G290 VanDerWaalsContact C-N 3.27Å; A288-G290 PolarHBondContact O-N 2.9Å; G290-Y421 VanDerWaalsContact O-CE2 3.26Å; G290-Y421 WeakPolarHBondContact O-CE2 3.48Å; G290-Y421 PolarHBondContact O-OH 2.78Å; G290-Y421 VanDerWaalsContact O-OH 3.14Å
291F98.9Very high98.7Very high8 Ų840.9 Ų40.94%0.03520%0.203CC..THydrogen-bonded Turntrans-93-6.5-179.7-68.6-100.2000113.5T275 H279 Y280 H287 A288 A289 M293 L297 I423T275-F291 HydrophobicContact CG2-CD1 4.22Å; T275-F291 HydrophobicContact CG2-CE1 3.99Å; H279-F291 HydrophobicContact CB-CB 4.26Å; H279-F291 HydrophobicContact CB-CD1 3.77Å; H279-F291 HydrophobicContact CB-CD2 3.61Å; H279-F291 HydrophobicContact CB-CE1 4Å; H279-F291 HydrophobicContact CB-CE2 3.88Å; H279-F291 HydrophobicContact CB-CG 3.59Å; H279-F291 HydrophobicContact CB-CZ 4.08Å; H279-F291 AromaticContact CD2-CE1 3.91Å; H279-F291 AromaticContact CE1-CE1 3.84Å; H279-F291 AromaticContact CE1-CZ 3.54Å; H279-F291 AromaticContact CG-CD1 3.83Å; H279-F291 AromaticContact CG-CE1 3.54Å; H279-F291 AromaticContact CG-CE2 3.83Å; H279-F291 AromaticContact CG-CZ 3.58Å; H279-F291 AromaticContact ND1-CE1 3.48Å; H279-F291 WeakPolarHBondContact ND1-CE1 3.48Å; H279-F291 AromaticContact ND1-CE2 3.36Å; H279-F291 WeakPolarHBondContact ND1-CE2 3.35Å; H279-F291 AromaticContact ND1-CZ 3.05Å; H279-F291 WeakPolarHBondContact ND1-CZ 3.29Å; Y280-F291 HydrophobicContact CD1-CB 4.25Å; Y280-F291 VanDerWaalsContact CE1-C 3.49Å; Y280-F291 HydrophobicContact CE1-CB 3.79Å; Y280-F291 WeakPolarHBondContact CE1-O 3.47Å; Y280-F291 PolarHBondContact OH-O 3.24Å; H287-F291 AromaticContact CD2-CE2 3.94Å; H287-F291 AromaticContact CE1-CE2 3.95Å; H287-F291 AromaticContact NE2-CE2 3.68Å; H287-F291 WeakPolarHBondContact O-CD2 3.41Å; A288-F291 PolarHBondContact O-N 2.73Å; A289-F291 PolarHBondContact O-N 2.93Å; F291-M293 PolarHBondContact O-N 3.33Å; F291-M293 VanDerWaalsContact O-N 3.17Å; F291-L297 HydrophobicContact CB-CD1 4.19Å; F291-L297 HydrophobicContact CD1-CD1 3.74Å; F291-L297 HydrophobicContact CG-CD1 4.45Å; F291-I423 HydrophobicContact CD1-CB 3.96Å; F291-I423 HydrophobicContact CD1-CG2 3.94Å; F291-I423 HydrophobicContact CE1-CB 3.55Å; F291-I423 HydrophobicContact CE1-CG2 3.95Å; F291-I423 WeakPolarHBondContact CE1-O 2.88Å; F291-I423 HydrophobicContact CG-CG2 4.25Å; F291-I423 HydrophobicContact CZ-CB 3.96Å; F291-I423 HydrophobicContact CZ-CG2 4.23Å; F291-I423 WeakPolarHBondContact CZ-O 3.49Å
292V98.9Very high98.7Very high0 Ų038.1 Ų38.10%020%0.201CC..  trans-68.2114.3-173.5173.10000111P210 H213 Y280 A289 K331 I341 G344P210-V292 HydrophobicContact CB-CG2 3.78Å; P210-V292 HydrophobicContact CG-CG2 4.39Å; H213-V292 VanDerWaalsContact CE1-CG1 3.46Å; H213-V292 WeakPolarHBondContact CE1-CG1 3.45Å; Y280-V292 HydrophobicContact CD1-CG2 4.19Å; Y280-V292 HydrophobicContact CE1-CB 4.41Å; Y280-V292 HydrophobicContact CE1-CG2 3.83Å; A289-V292 WeakPolarHBondContact O-CB 3.37Å; A289-V292 PolarHBondContact O-N 2.97Å; A289-V292 VanDerWaalsContact O-N 3.14Å; V292-K331 PolarHBondContact O-NZ 3.38Å; V292-I341 HydrophobicContact CB-CG2 3.9Å; V292-I341 HydrophobicContact CG1-CB 4.12Å; V292-I341 HydrophobicContact CG1-CG2 3.85Å; V292-I341 HydrophobicContact CG2-CD1 4.12Å; V292-I341 HydrophobicContact CG2-CG2 4.29Å; V292-G344 PolarHBondContact O-N 3.21Å
293M98.9Very high98.8Very high0 Ų034 Ų340%018%0.182CC..  trans-148.7165.2172.366.5175.1-66.200111.9H213 M246 I269 A271 F291 P295 P296 D322 V345H213-M293 PolarHBondContact NE2-O 2.87Å; M246-M293 HydrophobicContact CE-CE 4.34Å; M246-M293 HydrophobicContact CE-SD 3.97Å; M246-M293 HydrophobicContact SD-CE 4.46Å; I269-M293 HydrophobicContact CD1-CE 3.25Å; I269-M293 HydrophobicContact CD1-SD 3.92Å; A271-M293 HydrophobicContact CB-SD 4.17Å; F291-M293 PolarHBondContact O-N 3.33Å; F291-M293 VanDerWaalsContact O-N 3.17Å; M293-P295 CarbonylContact C-O 3.48Å; M293-P295 CarbonylContact O-C 3.59Å; M293-P295 VanDerWaalsContact O-C 3.31Å; M293-P296 VanDerWaalsContact O-CA 3.29Å; M293-P296 WeakPolarHBondContact O-CA 3.46Å; M293-D322 HydrophobicContact CE-CB 4.08Å; M293-D322 VanDerWaalsContact CE-OD2 3.22Å; M293-D322 WeakPolarHBondContact CE-OD2 3.35Å; M293-V345 HydrophobicContact CB-CG1 4.19Å; M293-V345 HydrophobicContact CE-CG2 4.44Å; M293-V345 HydrophobicContact CG-CG1 4.25Å; M293-V345 HydrophobicContact SD-CB 4.45Å; M293-V345 HydrophobicContact SD-CG1 4.08Å; M293-V345 HydrophobicContact SD-CG2 3.5Å; M293-V345 VanDerWaalsContact SD-CG2 3.5Å
294G98Very high98.8Very high4 Ų425 Ų254%0.04115%0.145CC..SBendtrans-122.6123.1-179.700000111.8H188H188-G294 PolarHBondContact CE1-O 3.4Å; H188-G294 VanDerWaalsContact CE1-O 3.26Å
295P98.8Very high98.8Very high1 Ų123 Ų231%0.00614%0.14CC..SBendcis-64.1154.1-3.2-14.727.5000112.3E190 E222 H244 M246 M293E190-P295 HydrophobicContact CG-CB 4.01Å; E190-P295 HydrophobicContact CG-CG 3.75Å; E190-P295 WeakPolarHBondContact OE2-CA 3.33Å; E222-P295 HydrophobicContact CG-CG 4.35Å; H244-P295 VanDerWaalsContact CE1-CD 3.42Å; H244-P295 WeakPolarHBondContact CE1-CD 3.47Å; H244-P295 VanDerWaalsContact ND1-CD 3.28Å; H244-P295 WeakPolarHBondContact ND1-CD 3.18Å; M246-P295 HydrophobicContact CB-CB 4.12Å; M246-P295 HydrophobicContact CG-CB 3.84Å; M246-P295 HydrophobicContact CG-CG 4.15Å; M293-P295 CarbonylContact C-O 3.48Å; M293-P295 CarbonylContact O-C 3.59Å; M293-P295 VanDerWaalsContact O-C 3.31Å
296P98.9Very high98.8Very high0 Ų023.6 Ų23.60%014%0.142CC..PPolyproline II helixtrans-72.1149.9-179.529.9-35.9000111.6E214 R217 Y280 M293 R298E214-P296 HydrophobicContact CB-CB 4.37Å; E214-P296 HydrophobicContact CG-CB 4.25Å; E214-P296 HydrophobicContact CG-CG 4.25Å; R217-P296 HydrophobicContact CG-CG 4Å; Y280-P296 HydrophobicContact CE2-CB 3.82Å; Y280-P296 WeakPolarHBondContact OH-CA 3.39Å; Y280-P296 WeakPolarHBondContact OH-CB 3.36Å; M293-P296 VanDerWaalsContact O-CA 3.29Å; M293-P296 WeakPolarHBondContact O-CA 3.46Å; P296-R298 PolarHBondContact O-NE 2.65Å
297L98.9Very high98.8Very high2 Ų222.2 Ų22.21%0.0113%0.131CC..PPolyproline II helixtrans-50.3142.2157.8-71.9161.9000110.7M246 A271 T275 G277 Y280 F291M246-L297 HydrophobicContact CE-CB 4.48Å; M246-L297 HydrophobicContact CE-CD2 3.52Å; M246-L297 HydrophobicContact CE-CG 3.81Å; A271-L297 HydrophobicContact CB-CD2 4.14Å; A271-L297 WeakPolarHBondContact O-CD2 3.38Å; T275-L297 HydrophobicContact CG2-CD1 3.85Å; T275-L297 HydrophobicContact CG2-CD2 4.13Å; G277-L297 WeakPolarHBondContact CA-O 3.22Å; Y280-L297 HydrophobicContact CE2-CB 4.17Å; Y280-L297 WeakPolarHBondContact CE2-O 3.47Å; Y280-L297 PolarHBondContact OH-N 2.78Å; F291-L297 HydrophobicContact CB-CD1 4.19Å; F291-L297 HydrophobicContact CD1-CD1 3.74Å; F291-L297 HydrophobicContact CG-CD1 4.45Å
298R98.8Very high98.8Very high3 Ų319.3 Ų19.31%0.01112%0.118CC..PPolyproline II helixtrans-94.2137.5-173.8-55.8-55.4177.8179.6-2.5111.9R217 E222 M246 G277 P296 D300 T303R217-R298 PolarHBondContact O-NH1 3.11Å; E222-R298 IonicContact OE2-CZ 3.68Å; E222-R298 IonicContact OE2-NE 2.73Å; E222-R298 IonicContact OE2-NH2 2.83Å; E222-R298 PolarHBondContact OE2-NH2 3.45Å; M246-R298 VanDerWaalsContact O-CG 3.27Å; M246-R298 WeakPolarHBondContact O-CG 3.19Å; G277-R298 PolarHBondContact N-O 3.02Å; P296-R298 PolarHBondContact O-NE 2.65Å; R298-D300 PolarHBondContact O-N 2.52Å; R298-T303 HydrophobicContact CB-CG2 4.17Å; R298-T303 HydrophobicContact CG-CG2 4.3Å
299P98.8Very high98.8Very high46 Ų4622.5 Ų22.530%0.29914%0.135SC..SBendtrans-73.6-9.9-176.930.2-35.3000113.6E214 T278 W281 P301E214-P299 HydrophobicContact CG-CG 4.44Å; E214-P299 VanDerWaalsContact OE1-CD 3.24Å; E214-P299 WeakPolarHBondContact OE1-CD 3.43Å; T278-P299 WeakPolarHBondContact CG2-O 3.17Å; W281-P299 HydrophobicContact CH2-CB 4.39Å; W281-P299 HydrophobicContact CH2-CG 4.42Å; W281-P299 HydrophobicContact CZ3-CB 3.89Å; W281-P299 HydrophobicContact CZ3-CG 4.33Å; P299-P301 WeakPolarHBondContact O-CD 3.37Å
300D98.8Very high98.8Very high55 Ų5523.1 Ų23.129%0.29414%0.138SC..  trans-69.9110.5167.5177.7-9.2000109.3K248 R298 S302 T303K248-D300 WeakPolarHBondContact CE-OD2 3.49Å; K248-D300 IonicContact NZ-OD1 2.82Å; K248-D300 IonicContact NZ-OD2 3.21Å; K248-D300 PolarHBondContact NZ-OD2 3.12Å; R298-D300 PolarHBondContact O-N 2.52Å; D300-S302 PolarHBondContact O-N 3.14Å; D300-S302 VanDerWaalsContact O-N 3.08Å; D300-S302 WeakPolarHBondContact OD1-CB 3.31Å; D300-S302 PolarHBondContact OD1-N 3.17Å; D300-S302 PolarHBondContact OD1-OG 2.84Å; D300-S302 PolarHBondContact OD2-OG 2.99Å; D300-T303 VanDerWaalsContact O-CB 3.27Å; D300-T303 WeakPolarHBondContact O-CB 3.33Å; D300-T303 PolarHBondContact O-N 2.9Å; D300-T303 PolarHBondContact O-OG1 3.31Å
301P98.6Very high98.8Very high90 Ų9023 Ų2358%0.58414%0.137SC*.THydrogen-bonded Turntrans-68.6-11.2-174.130.8-37.4000113.3P299 T303 P304P299-P301 WeakPolarHBondContact O-CD 3.37Å; P301-T303 VanDerWaalsContact C-N 3.33Å; P301-P304 WeakPolarHBondContact O-CD 3.44Å
302S98.8Very high98.8Very high55 Ų5523.9 Ų23.939%0.38515%0.145SC..THydrogen-bonded Turntrans-88.8-0.4174.661.40000113.4K248 D300 Y306K248-S302 VanDerWaalsContact CE-C 3.43Å; K248-S302 WeakPolarHBondContact CE-O 3.36Å; K248-S302 PolarHBondContact NZ-OG 3.46Å; D300-S302 PolarHBondContact O-N 3.14Å; D300-S302 VanDerWaalsContact O-N 3.08Å; D300-S302 WeakPolarHBondContact OD1-CB 3.31Å; D300-S302 PolarHBondContact OD1-N 3.17Å; D300-S302 PolarHBondContact OD1-OG 2.84Å; D300-S302 PolarHBondContact OD2-OG 2.99Å; S302-Y306 WeakPolarHBondContact O-CB 3.24Å; S302-Y306 PolarHBondContact O-N 3.29Å; S302-Y306 VanDerWaalsContact O-N 3.14Å
303T98.9Very high98.8Very high4 Ų429.2 Ų29.23%0.02517%0.174CC..Hα-helixtrans-57.9-50.6175-57.30000112.7M246 K248 R298 D300 P301 A305 Y306 L307M246-T303 WeakPolarHBondContact O-CG2 3.42Å; K248-T303 HydrophobicContact CG-CG2 4.23Å; R298-T303 HydrophobicContact CB-CG2 4.17Å; R298-T303 HydrophobicContact CG-CG2 4.3Å; D300-T303 VanDerWaalsContact O-CB 3.27Å; D300-T303 WeakPolarHBondContact O-CB 3.33Å; D300-T303 PolarHBondContact O-N 2.9Å; D300-T303 PolarHBondContact O-OG1 3.31Å; P301-T303 VanDerWaalsContact C-N 3.33Å; T303-A305 PolarHBondContact O-N 2.77Å; T303-Y306 PolarHBondContact O-N 3.02Å; T303-Y306 VanDerWaalsContact O-N 3.16Å; T303-L307 HydrophobicContact CG2-CD1 3.9Å; T303-L307 HydrophobicContact CG2-CG 4.1Å; T303-L307 WeakPolarHBondContact O-CG 3.39Å; T303-L307 PolarHBondContact O-N 2.76Å
304P98.9Very high98.8Very high14 Ų1431.7 Ų31.79%0.09119%0.187CC..Hα-helixtrans-64.2-40.9-174.4-23.937.3000113G272 T275 D276 P301 Y306 L307 M308G272-P304 WeakPolarHBondContact O-CA 3.34Å; G272-P304 WeakPolarHBondContact O-CB 3.13Å; T275-P304 WeakPolarHBondContact O-CG 3.25Å; D276-P304 HydrophobicContact CB-CG 4.19Å; P301-P304 WeakPolarHBondContact O-CD 3.44Å; P304-Y306 PolarHBondContact O-N 3.1Å; P304-L307 PolarHBondContact O-N 3.45Å; P304-M308 WeakPolarHBondContact O-CB 3.09Å; P304-M308 PolarHBondContact O-N 2.84Å
305A98.9Very high98.9Very high43 Ų4332 Ų3236%0.35519%0.188SC..Hα-helixtrans-63.4-40.6176.300000112.2T303 M308 D309 K364T303-A305 PolarHBondContact O-N 2.77Å; A305-M308 PolarHBondContact O-N 3.23Å; A305-D309 PolarHBondContact O-N 2.58Å; A305-D309 VanDerWaalsContact O-OD2 3.1Å; A305-K364 PolarHBondContact O-NZ 3.49Å
306Y98.9Very high98.9Very high76 Ų7632 Ų3230%0.29819%0.188SC..Hα-helixtrans-67.9-43.4177.5-178.7-93.8000112.2K248 A251 S302 T303 P304 M308 D309 L310K248-Y306 HydrophobicContact CB-CD1 3.75Å; K248-Y306 HydrophobicContact CB-CE1 3.82Å; K248-Y306 HydrophobicContact CB-CG 4.49Å; K248-Y306 HydrophobicContact CD-CD1 4.18Å; K248-Y306 HydrophobicContact CD-CG 4.13Å; K248-Y306 HydrophobicContact CG-CD1 3.55Å; K248-Y306 HydrophobicContact CG-CE1 4.15Å; K248-Y306 HydrophobicContact CG-CG 3.94Å; A251-Y306 HydrophobicContact CB-CE1 4.48Å; S302-Y306 WeakPolarHBondContact O-CB 3.24Å; S302-Y306 PolarHBondContact O-N 3.29Å; S302-Y306 VanDerWaalsContact O-N 3.14Å; T303-Y306 PolarHBondContact O-N 3.02Å; T303-Y306 VanDerWaalsContact O-N 3.16Å; P304-Y306 PolarHBondContact O-N 3.1Å; Y306-M308 VanDerWaalsContact C-N 3.26Å; Y306-M308 PolarHBondContact O-N 2.94Å; Y306-D309 PolarHBondContact O-N 3.07Å; Y306-L310 HydrophobicContact CD1-CD1 4.05Å; Y306-L310 HydrophobicContact CD1-CD2 4.42Å; Y306-L310 HydrophobicContact CD2-CD1 4.25Å; Y306-L310 HydrophobicContact CE1-CD1 3.66Å; Y306-L310 HydrophobicContact CE1-CD2 3.68Å; Y306-L310 HydrophobicContact CE1-CG 4.33Å; Y306-L310 HydrophobicContact CE2-CD1 3.86Å; Y306-L310 HydrophobicContact CG-CD1 4.35Å; Y306-L310 WeakPolarHBondContact O-CD1 3.42Å; Y306-L310 PolarHBondContact O-N 3.25Å
307L98.9Very high98.9Very high0 Ų032.1 Ų32.10%019%0.189CC..Hα-helixtrans-61.4-37.7174.4-66.1-177.5000111.2V245 A251 L273 T303 P304 L310 L311 L316V245-L307 HydrophobicContact CG1-CD2 4.42Å; A251-L307 HydrophobicContact CB-CD2 3.5Å; L273-L307 HydrophobicContact CD2-CB 3.81Å; T303-L307 HydrophobicContact CG2-CD1 3.9Å; T303-L307 HydrophobicContact CG2-CG 4.1Å; T303-L307 WeakPolarHBondContact O-CG 3.39Å; T303-L307 PolarHBondContact O-N 2.76Å; P304-L307 PolarHBondContact O-N 3.45Å; L307-L310 PolarHBondContact O-N 3.26Å; L307-L311 WeakPolarHBondContact O-CB 3.37Å; L307-L311 PolarHBondContact O-N 2.99Å; L307-L316 HydrophobicContact CB-CD1 4.41Å; L307-L316 HydrophobicContact CD2-CD1 3.96Å
308M98.9Very high98.9Very high2 Ų232 Ų321%0.0119%0.188CC..Hα-helixtrans-65.6-38.6174.7-169.261.277.400112.6L273 P304 A305 Y306 L311 A312 I355 R358 K364 M365L273-M308 HydrophobicContact CB-CE 4Å; L273-M308 HydrophobicContact CD1-CE 4.31Å; L273-M308 HydrophobicContact CD2-CB 4.24Å; L273-M308 HydrophobicContact CD2-CE 4Å; L273-M308 HydrophobicContact CD2-SD 4.34Å; L273-M308 HydrophobicContact CG-CE 4.33Å; P304-M308 WeakPolarHBondContact O-CB 3.09Å; P304-M308 PolarHBondContact O-N 2.84Å; A305-M308 PolarHBondContact O-N 3.23Å; Y306-M308 VanDerWaalsContact C-N 3.26Å; Y306-M308 PolarHBondContact O-N 2.94Å; M308-L311 PolarHBondContact O-N 3.46Å; M308-L311 HydrophobicContact SD-CD2 4.04Å; M308-A312 WeakPolarHBondContact O-CB 3.46Å; M308-A312 PolarHBondContact O-N 3.02Å; M308-I355 HydrophobicContact CE-CG2 4.25Å; M308-R358 HydrophobicContact CE-CB 3.65Å; M308-K364 HydrophobicContact CB-CD 3.87Å; M308-K364 HydrophobicContact CG-CB 4.34Å; M308-K364 HydrophobicContact CG-CD 3.57Å; M308-M365 HydrophobicContact CG-CE 4.41Å; M308-M365 HydrophobicContact SD-CE 3.47Å; M308-M365 WeakPolarHBondContact SD-CE 3.22Å
309D98.9Very high98.9Very high68 Ų6831.9 Ų31.936%0.36419%0.188SC..Hα-helixtrans-63-44.3174.7-69.6-36.4000111.6A305 Y306 L311 A312 N313 K364A305-D309 PolarHBondContact O-N 2.58Å; A305-D309 VanDerWaalsContact O-OD2 3.1Å; Y306-D309 PolarHBondContact O-N 3.07Å; D309-L311 VanDerWaalsContact C-N 3.29Å; D309-L311 PolarHBondContact O-N 3.23Å; D309-A312 WeakPolarHBondContact O-CB 3.45Å; D309-A312 PolarHBondContact O-N 2.64Å; D309-N313 WeakPolarHBondContact O-CB 3.36Å; D309-N313 PolarHBondContact O-N 3.41Å; D309-K364 WeakPolarHBondContact OD1-CD 3.29Å; D309-K364 IonicContact OD1-NZ 3.53Å; D309-K364 PolarHBondContact OD1-NZ 3.1Å; D309-K364 IonicContact OD2-NZ 3.68Å; D309-K364 PolarHBondContact OD2-NZ 3Å
310L98.9Very high98.9Very high13 Ų1329.7 Ų29.77%0.06817%0.173CC..Hα-helixtrans-67.5-31.1176.5-90.765.3000112.2A251 A255 Y306 L307 D314 D315 L316A251-L310 HydrophobicContact CB-CD2 3.57Å; A255-L310 HydrophobicContact CB-CD2 4.36Å; Y306-L310 HydrophobicContact CD1-CD1 4.05Å; Y306-L310 HydrophobicContact CD1-CD2 4.42Å; Y306-L310 HydrophobicContact CD2-CD1 4.25Å; Y306-L310 HydrophobicContact CE1-CD1 3.66Å; Y306-L310 HydrophobicContact CE1-CD2 3.68Å; Y306-L310 HydrophobicContact CE1-CG 4.33Å; Y306-L310 HydrophobicContact CE2-CD1 3.86Å; Y306-L310 HydrophobicContact CG-CD1 4.35Å; Y306-L310 WeakPolarHBondContact O-CD1 3.42Å; Y306-L310 PolarHBondContact O-N 3.25Å; L307-L310 PolarHBondContact O-N 3.26Å; L310-D314 PolarHBondContact O-N 2.91Å; L310-D315 HydrophobicContact CB-CB 3.92Å; L310-D315 HydrophobicContact CD2-CB 4.21Å; L310-D315 HydrophobicContact CG-CB 3.79Å; L310-D315 PolarHBondContact O-N 3.34Å; L310-L316 HydrophobicContact CB-CD1 3.98Å; L310-L316 HydrophobicContact CB-CG 4.01Å; L310-L316 PolarHBondContact O-N 2.93Å
311L98.9Very high98.9Very high0 Ų027.1 Ų27.10%016%0.16CC..Hα-helixtrans-69.6-40.1173.1-174.362.9000111.7P268 L273 L307 M308 D309 N313 D314 L316 T319 M365 R369 V373P268-L311 HydrophobicContact CG-CD1 4.05Å; P268-L311 HydrophobicContact CG-CD2 4.35Å; L273-L311 HydrophobicContact CD1-CD2 3.87Å; L273-L311 HydrophobicContact CD2-CD2 4.37Å; L307-L311 WeakPolarHBondContact O-CB 3.37Å; L307-L311 PolarHBondContact O-N 2.99Å; M308-L311 PolarHBondContact O-N 3.46Å; M308-L311 HydrophobicContact SD-CD2 4.04Å; D309-L311 VanDerWaalsContact C-N 3.29Å; D309-L311 PolarHBondContact O-N 3.23Å; L311-N313 VanDerWaalsContact C-N 3.32Å; L311-D314 PolarHBondContact O-N 2.99Å; L311-L316 HydrophobicContact CB-CB 4.36Å; L311-L316 HydrophobicContact CD1-CB 4.15Å; L311-T319 HydrophobicContact CD1-CG2 4.12Å; L311-T319 HydrophobicContact CD2-CG2 3.5Å; L311-T319 VanDerWaalsContact CD2-CG2 3.5Å; L311-T319 HydrophobicContact CG-CG2 4.47Å; L311-M365 HydrophobicContact CB-CE 4.36Å; L311-M365 HydrophobicContact CD2-CE 4.15Å; L311-M365 HydrophobicContact CG-CE 4.08Å; L311-R369 VanDerWaalsContact O-CZ 3.28Å; L311-R369 PolarHBondContact O-NE 3.17Å; L311-R369 PolarHBondContact O-NH2 2.7Å; L311-V373 HydrophobicContact CD1-CB 3.84Å; L311-V373 HydrophobicContact CD1-CG1 3.64Å; L311-V373 HydrophobicContact CD1-CG2 4.46Å; L311-V373 HydrophobicContact CD2-CB 4.34Å; L311-V373 HydrophobicContact CD2-CG2 4.09Å; L311-V373 HydrophobicContact CG-CB 4.14Å; L311-V373 HydrophobicContact CG-CG1 3.92Å; L311-V373 HydrophobicContact CG-CG2 4.25Å
312A98.9Very high98.9Very high25 Ų2523.4 Ų23.421%0.20714%0.135CC..Hα-helixtrans-62.8-39.7173.800000111.8M308 D309 D314 K364 M365 R369M308-A312 WeakPolarHBondContact O-CB 3.46Å; M308-A312 PolarHBondContact O-N 3.02Å; D309-A312 WeakPolarHBondContact O-CB 3.45Å; D309-A312 PolarHBondContact O-N 2.64Å; A312-D314 VanDerWaalsContact C-N 3.35Å; A312-D314 PolarHBondContact O-N 3.23Å; A312-K364 VanDerWaalsContact CB-O 3.24Å; A312-K364 WeakPolarHBondContact CB-O 3.28Å; A312-M365 HydrophobicContact CB-CB 3.84Å; A312-M365 HydrophobicContact CB-CE 4.08Å; A312-R369 PolarHBondContact O-NE 3.46Å
313N98.8Very high98.9Very high112 Ų11220.9 Ų20.960%0.59912%0.117SC*.THydrogen-bonded Turntrans-84.91.8-177.5-165.853.4000115D309 L311 D315D309-N313 WeakPolarHBondContact O-CB 3.36Å; D309-N313 PolarHBondContact O-N 3.41Å; L311-N313 VanDerWaalsContact C-N 3.32Å; N313-D315 PolarHBondContact ND2-OD2 3.42Å; N313-D315 PolarHBondContact O-N 2.85Å
314D98.8Very high98.9Very high52 Ų5220.9 Ų20.928%0.27812%0.117SC..THydrogen-bonded Turntrans63.515.2-176.3-155.861.4000115.7R258 L310 L311 A312 L316 R369R258-D314 PolarHBondContact NE-O 2.76Å; R258-D314 PolarHBondContact NH2-O 3.01Å; R258-D314 IonicContact NH2-OD2 3.69Å; R258-D314 PolarHBondContact NH2-OD2 2.84Å; L310-D314 PolarHBondContact O-N 2.91Å; L311-D314 PolarHBondContact O-N 2.99Å; A312-D314 VanDerWaalsContact C-N 3.35Å; A312-D314 PolarHBondContact O-N 3.23Å; D314-L316 VanDerWaalsContact C-N 3.26Å; D314-L316 WeakPolarHBondContact CA-O 3.42Å; D314-R369 VanDerWaalsContact CA-NH2 3.27Å; D314-R369 IonicContact OD1-CZ 3.51Å; D314-R369 VanDerWaalsContact OD1-CZ 3.22Å; D314-R369 IonicContact OD1-NH1 2.7Å; D314-R369 PolarHBondContact OD1-NH1 3.46Å; D314-R369 IonicContact OD1-NH2 3.97Å; D314-R369 PolarHBondContact OD1-NH2 3.44Å
315D98.9Very high98.9Very high12 Ų1220.2 Ų20.26%0.06411%0.113CC..SBendtrans-65.3-38.6162.6-67.5-65.9000109.7A255 R258 R259 L310 N313A255-D315 HydrophobicContact CB-CB 3.75Å; A255-D315 WeakPolarHBondContact CB-OD1 3.44Å; R258-D315 WeakPolarHBondContact CD-O 3.37Å; R258-D315 PolarHBondContact NE-O 2.69Å; R259-D315 IonicContact NE-OD1 2.92Å; R259-D315 IonicContact NH2-OD1 3.76Å; R259-D315 PolarHBondContact NH2-OD1 3.17Å; L310-D315 HydrophobicContact CB-CB 3.92Å; L310-D315 HydrophobicContact CD2-CB 4.21Å; L310-D315 HydrophobicContact CG-CB 3.79Å; L310-D315 PolarHBondContact O-N 3.34Å; N313-D315 PolarHBondContact ND2-OD2 3.42Å; N313-D315 PolarHBondContact O-N 2.85Å
316L98.9Very high98.9Very high0 Ų018.2 Ų18.20%010%0.096CC..SBendtrans-107.2139.5164.8-62.9175.2000109V245 A251 V254 P268 L307 L310 L311 D314 R369V245-L316 HydrophobicContact CB-CD2 4.37Å; V245-L316 HydrophobicContact CG1-CD2 4.26Å; V245-L316 HydrophobicContact CG2-CD2 4.23Å; A251-L316 HydrophobicContact CB-CD1 4.13Å; A251-L316 HydrophobicContact CB-CD2 4.38Å; V254-L316 HydrophobicContact CG1-CD2 4.42Å; P268-L316 HydrophobicContact CB-CD1 4.06Å; P268-L316 HydrophobicContact CG-CB 4.04Å; P268-L316 HydrophobicContact CG-CD1 3.76Å; P268-L316 HydrophobicContact CG-CG 4.43Å; L307-L316 HydrophobicContact CB-CD1 4.41Å; L307-L316 HydrophobicContact CD2-CD1 3.96Å; L310-L316 HydrophobicContact CB-CD1 3.98Å; L310-L316 HydrophobicContact CB-CG 4.01Å; L310-L316 PolarHBondContact O-N 2.93Å; L311-L316 HydrophobicContact CB-CB 4.36Å; L311-L316 HydrophobicContact CD1-CB 4.15Å; D314-L316 VanDerWaalsContact C-N 3.26Å; D314-L316 WeakPolarHBondContact CA-O 3.42Å; L316-R369 PolarHBondContact O-NH2 3.01Å
317S98.4Very high98.8Very high3 Ų315.3 Ų15.32%0.0219%0.087CC..  trans-112.3-23.9-158.6-58.20000115.2G266 N377G266-S317 PolarHBondContact O-N 3.34Å; S317-N377 WeakPolarHBondContact O-CB 3.33Å; S317-N377 PolarHBondContact O-ND2 3.35Å
318V98.9Very high98.8Very high0 Ų017.6 Ų17.60%010%0.101CC..  trans-161.9163.3-171.162.70000109.8T62 Y241 E267 P268 V373 N377 A378 I381T62-V318 HydrophobicContact CG2-CG2 3.91Å; Y241-V318 HydrophobicContact CE2-CG1 3.73Å; Y241-V318 WeakPolarHBondContact OH-CG1 3.43Å; E267-V318 WeakPolarHBondContact CA-O 3.4Å; E267-V318 HydrophobicContact CB-CG1 4.45Å; P268-V318 WeakPolarHBondContact CD-O 2.92Å; V318-V373 CarbonylContact C-O 3.45Å; V318-V373 WeakPolarHBondContact CA-O 3.44Å; V318-N377 HydrophobicContact CB-CB 4.23Å; V318-N377 HydrophobicContact CG2-CB 4.46Å; V318-A378 HydrophobicContact CG2-CB 3.8Å; V318-I381 HydrophobicContact CG1-CD1 4.15Å
319T98.9Very high98.8Very high0 Ų022.2 Ų22.20%013%0.132CC..  trans-125.7135.9-177.555.90000113.3T62 P268 L273 L311 R351 I355 V373T62-T319 PolarHBondContact OG1-O 3.48Å; P268-T319 HydrophobicContact CG-CG2 4.31Å; P268-T319 WeakPolarHBondContact O-CA 3.35Å; L273-T319 HydrophobicContact CD1-CG2 3.76Å; L311-T319 HydrophobicContact CD1-CG2 4.12Å; L311-T319 HydrophobicContact CD2-CG2 3.5Å; L311-T319 VanDerWaalsContact CD2-CG2 3.5Å; L311-T319 HydrophobicContact CG-CG2 4.47Å; T319-R351 PolarHBondContact O-NH1 3.47Å; T319-R351 PolarHBondContact OG1-NH1 2.72Å; T319-I355 HydrophobicContact CG2-CD1 3.7Å; T319-I355 WeakPolarHBondContact OG1-CD1 3.23Å; T319-V373 PolarHBondContact N-O 3.25Å; T319-V373 PolarHBondContact OG1-O 3.18Å
320G98.9Very high98.8Very high0 Ų020.4 Ų20.40%012%0.122CC..BIsolated β-bridgetrans-115.2-163.9164.200000111.2D61 T62 P268 I269 A270D61-G320 WeakPolarHBondContact OD1-CA 3.14Å; T62-G320 PolarHBondContact OG1-N 2.79Å; P268-G320 PolarHBondContact O-N 3.31Å; I269-G320 VanDerWaalsContact CA-O 3.25Å; I269-G320 WeakPolarHBondContact CA-O 3.41Å; A270-G320 PolarHBondContact N-O 2.95Å; A270-G320 VanDerWaalsContact N-O 3.14Å
321T98.9Very high98.7Very high1 Ų119.9 Ų19.91%0.00612%0.119CC..  trans-123.3-23.8174.7560000114.4D61 H63 A270 N323 G347 R351D61-T321 PolarHBondContact OD1-N 2.96Å; D61-T321 PolarHBondContact OD1-OG1 3.39Å; D61-T321 WeakPolarHBondContact OD2-CB 3.43Å; D61-T321 WeakPolarHBondContact OD2-CG2 3.38Å; D61-T321 PolarHBondContact OD2-OG1 2.93Å; H63-T321 PolarHBondContact O-N 2.77Å; H63-T321 PolarHBondContact O-OG1 3.44Å; A270-T321 HydrophobicContact CB-CG2 4.1Å; T321-N323 PolarHBondContact O-N 3.02Å; T321-N323 VanDerWaalsContact OG1-CB 3.3Å; T321-N323 WeakPolarHBondContact OG1-CB 3.39Å; T321-N323 PolarHBondContact OG1-N 3.3Å; T321-G347 VanDerWaalsContact CG2-C 3.44Å; T321-G347 WeakPolarHBondContact CG2-O 3.32Å; T321-R351 HydrophobicContact CG2-CB 3.67Å; T321-R351 HydrophobicContact CG2-CG 4.03Å
322D98.7Very high98.7Very high12 Ų1221.5 Ų21.56%0.06413%0.132CC..  trans52.938.2-164.4-161.622.3000111H63 H65 H244 I269 M293 C324H63-D322 IonicContact CD2-OD1 3.88Å; H63-D322 PolarHBondContact CD2-OD1 2.87Å; H63-D322 IonicContact CE1-OD1 3.52Å; H63-D322 IonicContact NE2-OD1 3.57Å; H63-D322 PolarHBondContact NE2-OD1 3.4Å; H63-D322 VanDerWaalsContact O-CA 3.25Å; H63-D322 WeakPolarHBondContact O-CA 3.33Å; H63-D322 PolarHBondContact O-N 3.24Å; H65-D322 IonicContact CD2-OD1 3.25Å; H65-D322 PolarHBondContact CD2-OD1 2.82Å; H65-D322 IonicContact NE2-OD1 3.68Å; H65-D322 PolarHBondContact NE2-OD1 3.49Å; H244-D322 IonicContact CD2-OD2 3.39Å; I269-D322 HydrophobicContact CD1-CB 3.88Å; I269-D322 HydrophobicContact CG2-CB 4.28Å; M293-D322 HydrophobicContact CE-CB 4.08Å; M293-D322 VanDerWaalsContact CE-OD2 3.22Å; M293-D322 WeakPolarHBondContact CE-OD2 3.35Å; D322-C324 PolarHBondContact O-N 3.46Å
323N98.9Very high98.7Very high1 Ų124.9 Ų24.91%0.00515%0.146CC..BIsolated β-bridgetrans-61.5106.9-176.4-169.792.2000110.2H63 T64 H65 T321 G347 V348 Q417H63-N323 PolarHBondContact O-N 3.25Å; T64-N323 HydrophobicContact CG2-CB 4.5Å; H65-N323 CarbonylContact C-O 3.09Å; H65-N323 PolarHBondContact N-O 3.02Å; T321-N323 PolarHBondContact O-N 3.02Å; T321-N323 VanDerWaalsContact OG1-CB 3.3Å; T321-N323 WeakPolarHBondContact OG1-CB 3.39Å; T321-N323 PolarHBondContact OG1-N 3.3Å; N323-G347 PolarHBondContact OD1-N 3.28Å; N323-V348 HydrophobicContact CB-CB 4.03Å; N323-V348 PolarHBondContact OD1-N 3Å; N323-Q417 PolarHBondContact OD1-OE1 2.76Å; N323-Q417 VanDerWaalsContact OD1-OE1 3.07Å
324C98.7Very high98.7Very high5 Ų519.5 Ų19.53%0.03412%0.118CC..  trans-145.681.4-179.1-1660000107.8H65 D322 G344 V345H65-C324 HydrophobicContact CB-CB 3.86Å; D322-C324 PolarHBondContact O-N 3.46Å; C324-G344 CarbonylContact O-C 3.05Å; C324-G344 WeakPolarHBondContact O-CA 3.3Å; C324-V345 PolarHBondContact N-O 2.94Å; C324-V345 PolarHBondContact O-N 3.39Å
325T98.6Very high98.7Very high0 Ų022.7 Ų22.70%013%0.129CC..  trans-91.2137.4-165.652.30000112.5A75 V76 D77 N346 V419A75-T325 CarbonylContact C-O 3.52Å; A75-T325 WeakPolarHBondContact CA-O 3.43Å; A75-T325 WeakPolarHBondContact CB-O 3.29Å; V76-T325 WeakPolarHBondContact CG2-OG1 3.46Å; V76-T325 PolarHBondContact N-O 2.87Å; D77-T325 WeakPolarHBondContact CB-OG1 3.33Å; D77-T325 VanDerWaalsContact CG-OG1 3.28Å; D77-T325 PolarHBondContact N-OG1 3.44Å; D77-T325 WeakPolarHBondContact OD2-CB 3.48Å; D77-T325 WeakPolarHBondContact OD2-CG2 3.44Å; D77-T325 PolarHBondContact OD2-OG1 3.27Å; T325-N346 HydrophobicContact CG2-CB 3.65Å; T325-V419 HydrophobicContact CG2-CB 4.12Å; T325-V419 HydrophobicContact CG2-CG1 3.87Å
326F98.8Very high98.7Very high0 Ų026.7 Ų26.70%015%0.15CC..  trans-129.6132.2173-61.8-81.4000108.1F70 T73 A75 Q330 K331 P342 N343 Y421F70-F326 HydrophobicContact CB-CZ 4.41Å; F70-F326 HydrophobicContact CD1-CZ 4.46Å; T73-F326 HydrophobicContact CG2-CD1 3.56Å; T73-F326 HydrophobicContact CG2-CE1 3.61Å; A75-F326 HydrophobicContact CB-CE1 4.36Å; A75-F326 HydrophobicContact CB-CZ 4.39Å; F326-Q330 HydrophobicContact CB-CB 3.97Å; F326-Q330 HydrophobicContact CD1-CB 4.49Å; F326-K331 HydrophobicContact CB-CD 4.37Å; F326-K331 HydrophobicContact CB-CG 4.38Å; F326-P342 HydrophobicContact CB-CB 4.41Å; F326-P342 HydrophobicContact CB-CG 3.92Å; F326-P342 HydrophobicContact CD1-CB 3.77Å; F326-P342 HydrophobicContact CD1-CG 3.98Å; F326-P342 HydrophobicContact CD2-CB 3.72Å; F326-P342 HydrophobicContact CD2-CG 4.14Å; F326-P342 HydrophobicContact CE1-CB 3.87Å; F326-P342 HydrophobicContact CE2-CB 3.84Å; F326-P342 HydrophobicContact CG-CB 3.67Å; F326-P342 HydrophobicContact CG-CG 3.72Å; F326-P342 HydrophobicContact CZ-CB 3.9Å; F326-N343 WeakPolarHBondContact CE2-O 3.3Å; F326-Y421 WeakPolarHBondContact O-CE1 3.46Å; F326-Y421 PolarHBondContact O-OH 3.47Å
327S98.6Very high98.6Very high16 Ų1627.7 Ų27.711%0.11216%0.155CC..  trans-63.5164.2178.361.90000112.1C329 Q330 K331 D420S327-C329 PolarHBondContact O-N 3.46Å; S327-C329 VanDerWaalsContact O-N 3.16Å; S327-C329 PolarHBondContact OG-SG 3.38Å; S327-Q330 WeakPolarHBondContact O-CA 3.33Å; S327-Q330 WeakPolarHBondContact O-CB 3.31Å; S327-Q330 PolarHBondContact O-N 3.35Å; S327-Q330 WeakPolarHBondContact OG-CG 3.22Å; S327-Q330 PolarHBondContact OG-OE1 2.88Å; S327-K331 PolarHBondContact O-N 3.37Å; S327-D420 WeakPolarHBondContact CA-OD1 3.41Å; S327-D420 WeakPolarHBondContact CB-OD1 3.26Å
328V98.1Very high98.7Very high48 Ų4827.6 Ų27.629%0.29116%0.155SC..Hα-helixtrans-54.3-38.8178.2176.70000111.7A286 Q330 K331 A332 D420 Y421A286-V328 HydrophobicContact CB-CG1 3.9Å; V328-Q330 VanDerWaalsContact C-N 3.35Å; V328-Q330 PolarHBondContact O-N 2.92Å; V328-K331 PolarHBondContact O-N 3.34Å; V328-A332 PolarHBondContact O-N 2.89Å; V328-D420 PolarHBondContact N-OD1 3.33Å; V328-D420 PolarHBondContact N-OD2 3.22Å; V328-Y421 HydrophobicContact CG2-CD1 3.8Å; V328-Y421 HydrophobicContact CG2-CE1 4.4Å
329C98.3Very high98.6Very high99 Ų9930.2 Ų30.267%0.66917%0.171SC*.Hα-helixtrans-68.9-31.1178.470.50000113.3S327 A332S327-C329 PolarHBondContact O-N 3.46Å; S327-C329 VanDerWaalsContact O-N 3.16Å; S327-C329 PolarHBondContact OG-SG 3.38Å; C329-A332 WeakPolarHBondContact O-CB 3.16Å
330Q98.8Very high98.6Very high30 Ų3035.8 Ų35.814%0.1420%0.195CC..Hα-helixtrans-74.7-40.8172.4-69.8175.5-40.900111.3T73 K74 F326 S327 V328 A332 L333 P342T73-Q330 HydrophobicContact CG2-CB 4.27Å; T73-Q330 HydrophobicContact CG2-CG 4.37Å; T73-Q330 PolarHBondContact OG1-NE2 3.1Å; K74-Q330 PolarHBondContact O-NE2 2.92Å; F326-Q330 HydrophobicContact CB-CB 3.97Å; F326-Q330 HydrophobicContact CD1-CB 4.49Å; S327-Q330 WeakPolarHBondContact O-CA 3.33Å; S327-Q330 WeakPolarHBondContact O-CB 3.31Å; S327-Q330 PolarHBondContact O-N 3.35Å; S327-Q330 WeakPolarHBondContact OG-CG 3.22Å; S327-Q330 PolarHBondContact OG-OE1 2.88Å; V328-Q330 VanDerWaalsContact C-N 3.35Å; V328-Q330 PolarHBondContact O-N 2.92Å; Q330-A332 PolarHBondContact O-N 3.05Å; Q330-L333 WeakPolarHBondContact O-CB 3.46Å; Q330-L333 WeakPolarHBondContact O-CD1 3.45Å; Q330-L333 WeakPolarHBondContact O-CG 3.08Å; Q330-L333 PolarHBondContact O-N 2.84Å; Q330-L333 VanDerWaalsContact O-N 3.16Å; Q330-P342 WeakPolarHBondContact O-CD 3.25Å; Q330-P342 WeakPolarHBondContact O-CG 3.24Å
331K98.8Very high98.6Very high2 Ų235.8 Ų35.81%0.00920%0.195CC..Hα-helixtrans-54.2-40.2172.4-71.3-69.5-170.6177.40110.9W285 A289 V292 F326 S327 V328 L333 G334 I341 P342 G344 Y421W285-K331 HydrophobicContact CH2-CB 4.35Å; W285-K331 WeakPolarHBondContact CH2-O 3.4Å; A289-K331 HydrophobicContact CB-CB 4.28Å; A289-K331 WeakPolarHBondContact O-CD 3.19Å; A289-K331 WeakPolarHBondContact O-CE 3.37Å; A289-K331 PolarHBondContact O-NZ 2.81Å; V292-K331 PolarHBondContact O-NZ 3.38Å; F326-K331 HydrophobicContact CB-CD 4.37Å; F326-K331 HydrophobicContact CB-CG 4.38Å; S327-K331 PolarHBondContact O-N 3.37Å; V328-K331 PolarHBondContact O-N 3.34Å; K331-L333 PolarHBondContact O-N 3.15Å; K331-G334 PolarHBondContact O-N 3.46Å; K331-G334 VanDerWaalsContact O-N 3.12Å; K331-I341 HydrophobicContact CB-CG2 4.46Å; K331-I341 HydrophobicContact CD-CG2 3.52Å; K331-P342 HydrophobicContact CD-CG 4.34Å; K331-P342 PolarHBondContact NZ-O 3.25Å; K331-G344 PolarHBondContact NZ-O 2.95Å; K331-Y421 WeakPolarHBondContact CE-OH 3.44Å
332A98.5Very high98.6Very high33 Ų3335.8 Ų35.827%0.27320%0.195SC..G310 helixtrans-59.6-10.3-179.600000115.6W285 V328 C329 Q330 G334 K335W285-A332 VanDerWaalsContact CH2-CA 3.46Å; W285-A332 HydrophobicContact CH2-CB 4.33Å; W285-A332 HydrophobicContact CZ3-CB 4.21Å; V328-A332 PolarHBondContact O-N 2.89Å; C329-A332 WeakPolarHBondContact O-CB 3.16Å; Q330-A332 PolarHBondContact O-N 3.05Å; A332-G334 PolarHBondContact O-N 2.79Å; A332-G334 VanDerWaalsContact O-N 3.17Å; A332-K335 WeakPolarHBondContact O-CB 3.42Å; A332-K335 WeakPolarHBondContact O-CG 3.44Å; A332-K335 PolarHBondContact O-N 2.83Å; A332-K335 VanDerWaalsContact O-N 3.11Å
333L98.6Very high98.6Very high96 Ų9635.8 Ų35.850%0.50320%0.195SC..G310 helixtrans-53.4-30.4167.7-70.9173.1000112.6T73 Q330 K331T73-L333 HydrophobicContact CG2-CD1 4.1Å; Q330-L333 WeakPolarHBondContact O-CB 3.46Å; Q330-L333 WeakPolarHBondContact O-CD1 3.45Å; Q330-L333 WeakPolarHBondContact O-CG 3.08Å; Q330-L333 PolarHBondContact O-N 2.84Å; Q330-L333 VanDerWaalsContact O-N 3.16Å; K331-L333 PolarHBondContact O-N 3.15Å
334G98.5Very high98.6Very high0 Ų035.8 Ų35.80%020%0.196CC..G310 helixtrans-105.221.8177.700000115.6K331 A332 D336 D337K331-G334 PolarHBondContact O-N 3.46Å; K331-G334 VanDerWaalsContact O-N 3.12Å; A332-G334 PolarHBondContact O-N 2.79Å; A332-G334 VanDerWaalsContact O-N 3.17Å; G334-D336 PolarHBondContact O-N 3.22Å; G334-D336 VanDerWaalsContact O-N 3.12Å; G334-D337 CarbonylContact C-O 3.53Å; G334-D337 WeakPolarHBondContact CA-O 3.38Å; G334-D337 CarbonylContact O-C 3.58Å; G334-D337 PolarHBondContact O-N 3.15Å; G334-D337 VanDerWaalsContact O-O 3.09Å
335K98.5Very high98.6Very high119 Ų11935.6 Ų35.652%0.51719%0.194SC..THydrogen-bonded Turntrans-55.7-30.1-17972-171.7-177.771.50114.8W285 A332W285-K335 HydrophobicContact CH2-CB 4.26Å; W285-K335 HydrophobicContact CZ2-CB 4Å; A332-K335 WeakPolarHBondContact O-CB 3.42Å; A332-K335 WeakPolarHBondContact O-CG 3.44Å; A332-K335 PolarHBondContact O-N 2.83Å; A332-K335 VanDerWaalsContact O-N 3.11Å
336D98.5Very high98.6Very high96 Ų9635.6 Ų35.651%0.51319%0.194SC..THydrogen-bonded Turntrans-107.70.8-179.4-56.7-51.9000112.5R208 G334R208-D336 VanDerWaalsContact CD-O 3.31Å; R208-D336 WeakPolarHBondContact CD-O 3.09Å; R208-D336 PolarHBondContact NH1-O 3.14Å; G334-D336 PolarHBondContact O-N 3.22Å; G334-D336 VanDerWaalsContact O-N 3.12Å
337D98.7Very high98.6Very high20 Ų2035.6 Ų35.611%0.10719%0.194CC..  trans-165.8100.2-171.2-174.8-7.3000110.5L203 G334 T339 K340L203-D337 WeakPolarHBondContact CD2-OD1 3.24Å; G334-D337 CarbonylContact C-O 3.53Å; G334-D337 WeakPolarHBondContact CA-O 3.38Å; G334-D337 CarbonylContact O-C 3.58Å; G334-D337 PolarHBondContact O-N 3.15Å; G334-D337 VanDerWaalsContact O-O 3.09Å; D337-T339 PolarHBondContact O-N 2.97Å; D337-T339 PolarHBondContact OD1-N 3.05Å; D337-T339 PolarHBondContact OD1-OG1 3.45Å; D337-T339 VanDerWaalsContact OD1-OG1 3.06Å; D337-K340 HydrophobicContact CB-CD 4.11Å; D337-K340 HydrophobicContact CB-CG 4.39Å; D337-K340 PolarHBondContact O-N 2.92Å; D337-K340 WeakPolarHBondContact OD2-CE 3.49Å; D337-K340 IonicContact OD2-NZ 2.72Å; D337-K340 PolarHBondContact OD2-NZ 2.87Å; D337-K340 VanDerWaalsContact OD2-NZ 3.14Å
338F98.8Very high98.6Very high1 Ų134.8 Ų34.80%0.00419%0.189CC..G310 helixtrans-57.1-25.5-176.272.5-96.4000113.8A199 M202 L203 R208 G209 G212 H213 C216 K340 I341A199-F338 HydrophobicContact CB-CE2 4.37Å; A199-F338 HydrophobicContact CB-CZ 4.2Å; M202-F338 HydrophobicContact CB-CE1 3.83Å; M202-F338 HydrophobicContact CB-CZ 3.97Å; L203-F338 HydrophobicContact CD2-CD1 4.05Å; L203-F338 HydrophobicContact CD2-CE1 3.83Å; L203-F338 HydrophobicContact CG-CE1 4.02Å; R208-F338 PolarHBondContact O-N 3.17Å; R208-F338 VanDerWaalsContact O-N 3.08Å; G209-F338 WeakPolarHBondContact O-CB 3.32Å; G212-F338 WeakPolarHBondContact O-CZ 3.43Å; H213-F338 HydrophobicContact CB-CB 4.41Å; H213-F338 HydrophobicContact CB-CD2 3.59Å; H213-F338 HydrophobicContact CB-CE2 4.18Å; H213-F338 HydrophobicContact CB-CG 4.21Å; C216-F338 HydrophobicContact CB-CZ 4.33Å; F338-K340 PolarHBondContact O-N 2.81Å; F338-K340 VanDerWaalsContact O-N 3.12Å; F338-I341 HydrophobicContact CB-CD1 4.11Å; F338-I341 PolarHBondContact O-N 2.61Å; F338-I341 VanDerWaalsContact O-N 3.14Å
339T98.6Very high98.7Very high55 Ų5532.9 Ų32.934%0.33718%0.176SC..G310 helixtrans-70.7-8.4-179.979.30000112.7M71 A199 L203 D337M71-T339 WeakPolarHBondContact CE-O 3.13Å; A199-T339 HydrophobicContact CB-CG2 4.01Å; L203-T339 HydrophobicContact CD1-CG2 3.88Å; L203-T339 HydrophobicContact CG-CG2 4.49Å; D337-T339 PolarHBondContact O-N 2.97Å; D337-T339 PolarHBondContact OD1-N 3.05Å; D337-T339 PolarHBondContact OD1-OG1 3.45Å; D337-T339 VanDerWaalsContact OD1-OG1 3.06Å
340K98.6Very high98.7Very high118 Ų11828.1 Ų28.151%0.51314%0.144SC..G310 helixtrans-106.1-1.8177.2-62.9177-174.81550112.9D337 F338 P342D337-K340 HydrophobicContact CB-CD 4.11Å; D337-K340 HydrophobicContact CB-CG 4.39Å; D337-K340 PolarHBondContact O-N 2.92Å; D337-K340 WeakPolarHBondContact OD2-CE 3.49Å; D337-K340 IonicContact OD2-NZ 2.72Å; D337-K340 PolarHBondContact OD2-NZ 2.87Å; D337-K340 VanDerWaalsContact OD2-NZ 3.14Å; F338-K340 PolarHBondContact O-N 2.81Å; F338-K340 VanDerWaalsContact O-N 3.12Å; K340-P342 WeakPolarHBondContact O-CD 3.36Å
341I98.8Very high98.7Very high0 Ų026.7 Ų26.70%014%0.138CC..SBendtrans-68.4122.5170.8-59.2174000106.5M71 P210 W285 A289 V292 K331 F338 N343M71-I341 WeakPolarHBondContact CE-O 3.36Å; P210-I341 HydrophobicContact CG-CD1 4.08Å; W285-I341 HydrophobicContact CZ2-CD1 3.9Å; W285-I341 HydrophobicContact CZ2-CG1 4.16Å; A289-I341 HydrophobicContact CB-CD1 4.19Å; V292-I341 HydrophobicContact CB-CG2 3.9Å; V292-I341 HydrophobicContact CG1-CB 4.12Å; V292-I341 HydrophobicContact CG1-CG2 3.85Å; V292-I341 HydrophobicContact CG2-CD1 4.12Å; V292-I341 HydrophobicContact CG2-CG2 4.29Å; K331-I341 HydrophobicContact CB-CG2 4.46Å; K331-I341 HydrophobicContact CD-CG2 3.52Å; F338-I341 HydrophobicContact CB-CD1 4.11Å; F338-I341 PolarHBondContact O-N 2.61Å; F338-I341 VanDerWaalsContact O-N 3.14Å; I341-N343 PolarHBondContact O-N 2.79Å; I341-N343 VanDerWaalsContact O-N 3.14Å; I341-N343 PolarHBondContact O-OD1 3.39Å
342P98.6Very high98.7Very high0 Ų026.6 Ų26.60%014%0.137CC..PPolyproline II helixtrans-62119.1175.125.4-34.7000109.9M71 T73 F326 Q330 K331 K340M71-P342 HydrophobicContact CB-CB 4.24Å; T73-P342 HydrophobicContact CG2-CB 4.14Å; T73-P342 HydrophobicContact CG2-CG 4.21Å; F326-P342 HydrophobicContact CB-CB 4.41Å; F326-P342 HydrophobicContact CB-CG 3.92Å; F326-P342 HydrophobicContact CD1-CB 3.77Å; F326-P342 HydrophobicContact CD1-CG 3.98Å; F326-P342 HydrophobicContact CD2-CB 3.72Å; F326-P342 HydrophobicContact CD2-CG 4.14Å; F326-P342 HydrophobicContact CE1-CB 3.87Å; F326-P342 HydrophobicContact CE2-CB 3.84Å; F326-P342 HydrophobicContact CG-CB 3.67Å; F326-P342 HydrophobicContact CG-CG 3.72Å; F326-P342 HydrophobicContact CZ-CB 3.9Å; Q330-P342 WeakPolarHBondContact O-CD 3.25Å; Q330-P342 WeakPolarHBondContact O-CG 3.24Å; K331-P342 HydrophobicContact CD-CG 4.34Å; K331-P342 PolarHBondContact NZ-O 3.25Å; K340-P342 WeakPolarHBondContact O-CD 3.36Å
343N98.8Very high98.8Very high12 Ų1225 Ų256%0.06412%0.124CC..PPolyproline II helixtrans-73.4130.8-176.4-68.24.4000111.2F70 M71 F326 I341F70-N343 HydrophobicContact CE1-CB 4.13Å; M71-N343 HydrophobicContact SD-CB 4.26Å; F326-N343 WeakPolarHBondContact CE2-O 3.3Å; I341-N343 PolarHBondContact O-N 2.79Å; I341-N343 VanDerWaalsContact O-N 3.14Å; I341-N343 PolarHBondContact O-OD1 3.39Å
344G98.6Very high98.8Very high2 Ų220.5 Ų20.52%0.02110%0.1CC..  trans149.5157.1172.700000112.7V292 C324 K331V292-G344 PolarHBondContact O-N 3.21Å; C324-G344 CarbonylContact O-C 3.05Å; C324-G344 WeakPolarHBondContact O-CA 3.3Å; K331-G344 PolarHBondContact NZ-O 2.95Å
345V98.9Very high98.8Very high0 Ų020.5 Ų20.50%010%0.1CC..BIsolated β-bridgetrans-135.9173.4-176.8-63.10000110.6A271 M293 C324 I423A271-V345 HydrophobicContact CB-CG2 4.01Å; M293-V345 HydrophobicContact CB-CG1 4.19Å; M293-V345 HydrophobicContact CE-CG2 4.44Å; M293-V345 HydrophobicContact CG-CG1 4.25Å; M293-V345 HydrophobicContact SD-CB 4.45Å; M293-V345 HydrophobicContact SD-CG1 4.08Å; M293-V345 HydrophobicContact SD-CG2 3.5Å; M293-V345 VanDerWaalsContact SD-CG2 3.5Å; C324-V345 PolarHBondContact N-O 2.94Å; C324-V345 PolarHBondContact O-N 3.39Å; V345-I423 HydrophobicContact CB-CD1 4.02Å; V345-I423 HydrophobicContact CB-CG2 4.07Å; V345-I423 HydrophobicContact CG1-CD1 4.49Å; V345-I423 HydrophobicContact CG1-CG2 4.02Å; V345-I423 HydrophobicContact CG2-CD1 3.99Å
346N98.9Very high98.8Very high0 Ų015.4 Ų15.40%08%0.078CC..  trans-87161.3173.874.8-87.4000111.4T325 V419 N422 I423T325-N346 HydrophobicContact CG2-CB 3.65Å; N346-V419 HydrophobicContact CB-CG1 4.02Å; N346-N422 PolarHBondContact ND2-ND2 2.63Å; N346-N422 PolarHBondContact ND2-OD1 2.9Å; N346-N422 WeakPolarHBondContact OD1-CA 3.14Å; N346-I423 WeakPolarHBondContact OD1-CG1 3.17Å; N346-I423 PolarHBondContact OD1-N 2.98Å
347G98.8Very high98.8Very high0 Ų012.3 Ų12.30%06%0.06CC..  trans173.3-17.3171.200000116.5T321 N323 E349 D350 R351T321-G347 VanDerWaalsContact CG2-C 3.44Å; T321-G347 WeakPolarHBondContact CG2-O 3.32Å; N323-G347 PolarHBondContact OD1-N 3.28Å; G347-E349 PolarHBondContact O-N 3.34Å; G347-E349 VanDerWaalsContact O-N 3.12Å; G347-D350 PolarHBondContact O-N 2.86Å; G347-R351 PolarHBondContact O-N 2.87Å
348V98.9Very high98.8Very high0 Ų016.6 Ų16.60%08%0.075CC..THydrogen-bonded Turntrans-55.8-35.9-171.172.40000113.4T64 M66 A85 A86 I94 N323 Q417T64-V348 HydrophobicContact CG2-CG2 4.41Å; M66-V348 HydrophobicContact CE-CB 4.35Å; M66-V348 HydrophobicContact CE-CG1 4.4Å; M66-V348 HydrophobicContact CE-CG2 3.93Å; A85-V348 HydrophobicContact CB-CG1 3.97Å; A86-V348 HydrophobicContact CB-CG2 3.62Å; I94-V348 HydrophobicContact CG2-CG2 4.18Å; N323-V348 HydrophobicContact CB-CB 4.03Å; N323-V348 PolarHBondContact OD1-N 3Å; V348-Q417 HydrophobicContact CG1-CG 4.19Å
349E98.9Very high98.8Very high7 Ų716.5 Ų16.53%0.0338%0.075CC..THydrogen-bonded Turntrans-82.2-36177.9-178175.1173.100113.1A85 G89 G347 H415 H416 Q417A85-E349 HydrophobicContact CB-CB 4.15Å; A85-E349 WeakPolarHBondContact O-CA 3.39Å; A85-E349 WeakPolarHBondContact O-CB 3.42Å; A85-E349 WeakPolarHBondContact O-CG 3.17Å; G89-E349 WeakPolarHBondContact CA-O 3.28Å; G347-E349 PolarHBondContact O-N 3.34Å; G347-E349 VanDerWaalsContact O-N 3.12Å; E349-H415 WeakPolarHBondContact OE1-CA 3.22Å; E349-H415 WeakPolarHBondContact OE2-CB 3.38Å; E349-H416 IonicContact OE1-CE1 2.76Å; E349-H416 IonicContact OE1-CG 2.79Å; E349-H416 PolarHBondContact OE1-N 2.96Å; E349-H416 IonicContact OE1-ND1 3.97Å; E349-H416 PolarHBondContact OE1-ND1 3.44Å; E349-H416 PolarHBondContact OE2-N 2.88Å; E349-H416 IonicContact OE2-ND1 3.16Å; E349-Q417 HydrophobicContact CB-CG 4.29Å; E349-Q417 PolarHBondContact OE2-N 2.69Å
350D98.9Very high98.9Very high0 Ų015 Ų150%07%0.066CC..THydrogen-bonded Turntrans-91.9-17.4-167.9-65.9-58000113.3G347 M352 S353 V354 R408 I410 N422 F424G347-D350 PolarHBondContact O-N 2.86Å; D350-M352 VanDerWaalsContact C-N 3.32Å; D350-M352 PolarHBondContact O-N 3.07Å; D350-M352 VanDerWaalsContact O-N 3.16Å; D350-S353 PolarHBondContact O-N 3.23Å; D350-V354 HydrophobicContact CB-CG2 4.09Å; D350-V354 WeakPolarHBondContact O-CB 3.08Å; D350-V354 WeakPolarHBondContact O-CG2 3.3Å; D350-V354 PolarHBondContact O-N 2.95Å; D350-R408 IonicContact OD1-CZ 2.79Å; D350-R408 VanDerWaalsContact OD1-CZ 3.28Å; D350-R408 IonicContact OD1-NH1 3.6Å; D350-R408 PolarHBondContact OD1-NH1 3.46Å; D350-R408 IonicContact OD1-NH2 3.56Å; D350-R408 PolarHBondContact OD1-NH2 3.26Å; D350-I410 HydrophobicContact CB-CD1 4.04Å; D350-I410 WeakPolarHBondContact OD1-CG2 3.32Å; D350-N422 PolarHBondContact OD2-ND2 2.72Å; D350-F424 HydrophobicContact CB-CD2 3.77Å; D350-F424 HydrophobicContact CB-CE2 4.06Å
351R98.9Very high98.9Very high0 Ų014 Ų140%06%0.063CC..Hα-helixtrans-45.2-51.7-175.4-177.9-17862.7115.97.4113.4I60 T91 A270 T319 T321 G347 V354 I355 T374I60-R351 PolarHBondContact O-NH1 3.25Å; I60-R351 PolarHBondContact O-NH2 3.37Å; T91-R351 PolarHBondContact OG1-NH2 3.35Å; A270-R351 HydrophobicContact CB-CB 4.08Å; A270-R351 HydrophobicContact CB-CG 4.16Å; T319-R351 PolarHBondContact O-NH1 3.47Å; T319-R351 PolarHBondContact OG1-NH1 2.72Å; T321-R351 HydrophobicContact CG2-CB 3.67Å; T321-R351 HydrophobicContact CG2-CG 4.03Å; G347-R351 PolarHBondContact O-N 2.87Å; R351-V354 PolarHBondContact O-N 2.97Å; R351-I355 HydrophobicContact CG-CD1 3.53Å; R351-I355 HydrophobicContact CG-CG1 4.41Å; R351-I355 WeakPolarHBondContact O-CB 3.23Å; R351-I355 VanDerWaalsContact O-CG1 3.23Å; R351-I355 WeakPolarHBondContact O-CG1 3.39Å; R351-I355 PolarHBondContact O-N 3.46Å; R351-T374 PolarHBondContact NH1-O 3.24Å; R351-T374 VanDerWaalsContact NH1-O 3.1Å; R351-T374 PolarHBondContact NH2-O 3.17Å
352M98.9Very high98.9Very high0 Ų017.1 Ų17.10%08%0.084CC..Hα-helixtrans-63.9-48.8-173.8-62.8-67.5-7500111.3I56 G89 D350 W356 F370 T374 W402I56-M352 HydrophobicContact CD1-CE 4.02Å; G89-M352 WeakPolarHBondContact O-CB 3.49Å; G89-M352 VanDerWaalsContact O-CG 3.26Å; G89-M352 WeakPolarHBondContact O-CG 3.4Å; D350-M352 VanDerWaalsContact C-N 3.32Å; D350-M352 PolarHBondContact O-N 3.07Å; D350-M352 VanDerWaalsContact O-N 3.16Å; M352-W356 VanDerWaalsContact O-CB 3.29Å; M352-W356 WeakPolarHBondContact O-CB 3.48Å; M352-W356 PolarHBondContact O-N 3.45Å; M352-F370 HydrophobicContact CB-CZ 4.36Å; M352-F370 HydrophobicContact CE-CE1 3.75Å; M352-F370 HydrophobicContact CE-CZ 3.65Å; M352-F370 WeakPolarHBondContact O-CE2 3.42Å; M352-F370 HydrophobicContact SD-CZ 4.22Å; M352-T374 HydrophobicContact SD-CG2 3.89Å; M352-W402 HydrophobicContact CB-CH2 3.7Å; M352-W402 HydrophobicContact CB-CZ3 3.86Å
353S98.9Very high98.9Very high0 Ų020.1 Ų20.10%012%0.115CC..Hα-helixtrans-70-37.3179.5-59.70000112.2D350 W356 E357 R408 G431D350-S353 PolarHBondContact O-N 3.23Å; S353-W356 PolarHBondContact O-N 3.49Å; S353-E357 VanDerWaalsContact O-CB 3.28Å; S353-E357 WeakPolarHBondContact O-CB 3.31Å; S353-E357 PolarHBondContact O-N 2.98Å; S353-R408 PolarHBondContact OG-NE 2.99Å; S353-R408 PolarHBondContact OG-NH2 2.91Å; S353-G431 WeakPolarHBondContact CB-O 3.28Å; S353-G431 PolarHBondContact OG-O 2.95Å
354V98.9Very high98.9Very high0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-62.5-47.2177169.60000110.5D350 R351 W356 R358 I410 F424 M427D350-V354 HydrophobicContact CB-CG2 4.09Å; D350-V354 WeakPolarHBondContact O-CB 3.08Å; D350-V354 WeakPolarHBondContact O-CG2 3.3Å; D350-V354 PolarHBondContact O-N 2.95Å; R351-V354 PolarHBondContact O-N 2.97Å; V354-W356 VanDerWaalsContact C-N 3.35Å; V354-R358 HydrophobicContact CG1-CG 4.43Å; V354-R358 VanDerWaalsContact O-CB 3.29Å; V354-R358 WeakPolarHBondContact O-CB 3.3Å; V354-R358 VanDerWaalsContact O-CG 3.28Å; V354-R358 WeakPolarHBondContact O-CG 3.4Å; V354-R358 PolarHBondContact O-N 3.44Å; V354-I410 HydrophobicContact CG2-CD1 3.72Å; V354-F424 HydrophobicContact CG1-CE1 4.32Å; V354-F424 HydrophobicContact CG2-CD1 4.16Å; V354-F424 HydrophobicContact CG2-CD2 4.07Å; V354-F424 HydrophobicContact CG2-CE1 4.35Å; V354-F424 HydrophobicContact CG2-CE2 4.25Å; V354-F424 HydrophobicContact CG2-CG 4.01Å; V354-F424 HydrophobicContact CG2-CZ 4.39Å; V354-M427 HydrophobicContact CG2-SD 4.11Å
355I98.9Very high98.9Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-67.8-38178-63.8168000110.6L273 M308 T319 R351 G359 F370 T374L273-I355 HydrophobicContact CD1-CD1 4.31Å; L273-I355 HydrophobicContact CD1-CG1 4.03Å; M308-I355 HydrophobicContact CE-CG2 4.25Å; T319-I355 HydrophobicContact CG2-CD1 3.7Å; T319-I355 WeakPolarHBondContact OG1-CD1 3.23Å; R351-I355 HydrophobicContact CG-CD1 3.53Å; R351-I355 HydrophobicContact CG-CG1 4.41Å; R351-I355 WeakPolarHBondContact O-CB 3.23Å; R351-I355 VanDerWaalsContact O-CG1 3.23Å; R351-I355 WeakPolarHBondContact O-CG1 3.39Å; R351-I355 PolarHBondContact O-N 3.46Å; I355-G359 VanDerWaalsContact O-CA 3.25Å; I355-G359 WeakPolarHBondContact O-CA 3.24Å; I355-G359 PolarHBondContact O-N 3.01Å; I355-F370 HydrophobicContact CB-CD2 4.47Å; I355-F370 HydrophobicContact CB-CE2 4.11Å; I355-F370 HydrophobicContact CG2-CD2 3.85Å; I355-F370 HydrophobicContact CG2-CE2 3.98Å; I355-T374 HydrophobicContact CD1-CG2 4.06Å; I355-T374 HydrophobicContact CG2-CG2 4.39Å
356W98.9Very high98.9Very high12 Ų1227.8 Ų27.85%0.04515%0.152CC..Iπ-helixtrans-60.7-51.5175.8-176.4-82.6000111.6L54 M352 S353 V354 V360 H361 E367 F370 W402 P404L54-W356 HydrophobicContact CD1-CH2 3.39Å; L54-W356 HydrophobicContact CD1-CZ2 4.31Å; L54-W356 HydrophobicContact CD1-CZ3 3.9Å; M352-W356 VanDerWaalsContact O-CB 3.29Å; M352-W356 WeakPolarHBondContact O-CB 3.48Å; M352-W356 PolarHBondContact O-N 3.45Å; S353-W356 PolarHBondContact O-N 3.49Å; V354-W356 VanDerWaalsContact C-N 3.35Å; W356-V360 HydrophobicContact CD2-CB 4.03Å; W356-V360 HydrophobicContact CD2-CG1 4.33Å; W356-V360 HydrophobicContact CD2-CG2 4.21Å; W356-V360 HydrophobicContact CE3-CB 4.22Å; W356-V360 HydrophobicContact CE3-CG1 4.43Å; W356-V360 HydrophobicContact CE3-CG2 3.94Å; W356-V360 HydrophobicContact CG-CB 4.4Å; W356-V360 HydrophobicContact CH2-CG1 3.85Å; W356-V360 HydrophobicContact CZ2-CB 4.34Å; W356-V360 HydrophobicContact CZ2-CG1 3.74Å; W356-V360 HydrophobicContact CZ3-CB 4.47Å; W356-V360 HydrophobicContact CZ3-CG1 4.22Å; W356-V360 HydrophobicContact CZ3-CG2 4.18Å; W356-V360 WeakPolarHBondContact O-CA 3.45Å; W356-V360 WeakPolarHBondContact O-CB 3.45Å; W356-V360 PolarHBondContact O-N 3.19Å; W356-H361 PolarHBondContact O-N 2.92Å; W356-E367 HydrophobicContact CH2-CB 4.13Å; W356-E367 HydrophobicContact CZ3-CB 4.3Å; W356-F370 HydrophobicContact CB-CE2 3.96Å; W356-F370 HydrophobicContact CB-CZ 4.37Å; W356-F370 AromaticContact CE3-CD1 3.85Å; W356-F370 HydrophobicContact CE3-CD1 3.85Å; W356-F370 HydrophobicContact CE3-CD2 4.1Å; W356-F370 AromaticContact CE3-CE1 3.85Å; W356-F370 HydrophobicContact CE3-CE1 3.85Å; W356-F370 HydrophobicContact CE3-CE2 4.1Å; W356-F370 AromaticContact CE3-CG 3.97Å; W356-F370 HydrophobicContact CE3-CG 3.97Å; W356-F370 AromaticContact CE3-CZ 3.97Å; W356-F370 HydrophobicContact CE3-CZ 3.97Å; W356-F370 AromaticContact CZ3-CD1 3.99Å; W356-F370 HydrophobicContact CZ3-CD1 3.99Å; W356-F370 HydrophobicContact CZ3-CE1 4.27Å; W356-F370 HydrophobicContact CZ3-CG 4.28Å; W356-W402 HydrophobicContact CB-CZ2 3.74Å; W356-W402 AromaticContact CD2-CE2 3.94Å; W356-W402 AromaticContact CD2-CZ2 4Å; W356-W402 HydrophobicContact CD2-CZ2 4Å; W356-W402 AromaticContact CD2-NE1 3.32Å; W356-W402 VanDerWaalsContact CD2-NE1 3.32Å; W356-W402 AromaticContact CE2-NE1 3.63Å; W356-W402 AromaticContact CE3-CE2 3.89Å; W356-W402 HydrophobicContact CE3-CZ2 4.15Å; W356-W402 AromaticContact CE3-NE1 3.3Å; W356-W402 VanDerWaalsContact CE3-NE1 3.3Å; W356-W402 AromaticContact CG-CZ2 3.81Å; W356-W402 HydrophobicContact CG-CZ2 3.81Å; W356-W402 AromaticContact CG-NE1 3.97Å; W356-W402 AromaticContact CH2-NE1 3.97Å; W356-W402 AromaticContact CZ2-NE1 3.97Å; W356-W402 AromaticContact CZ3-NE1 3.63Å; W356-P404 HydrophobicContact CH2-CB 4.01Å; W356-P404 HydrophobicContact CZ2-CB 3.31Å
357E98.9Very high98.9Very high31 Ų3129.5 Ų29.515%0.14516%0.16CC..Iπ-helixtrans-60.4-51.8178.9175.757.6-149.200111.4S353 H361 S362 C429 H430S353-E357 VanDerWaalsContact O-CB 3.28Å; S353-E357 WeakPolarHBondContact O-CB 3.31Å; S353-E357 PolarHBondContact O-N 2.98Å; E357-H361 IonicContact OE1-CD2 2.84Å; E357-H361 IonicContact OE2-CD2 2.71Å; E357-H361 IonicContact OE2-CG 3.66Å; E357-S362 PolarHBondContact O-N 2.83Å; E357-C429 HydrophobicContact CB-CB 3.88Å; E357-C429 HydrophobicContact CG-CB 4.33Å; E357-H430 IonicContact OE2-CE1 3.89Å; E357-H430 IonicContact OE2-CG 2.85Å; E357-H430 PolarHBondContact OE2-N 3.03Å; E357-H430 IonicContact OE2-ND1 3.98Å; E357-H430 PolarHBondContact OE2-ND1 3.45Å
358R98.9Very high98.9Very high110 Ų11030.7 Ų30.742%0.41517%0.167SC..Iπ-helixtrans-78-23.1-174.3-62.1-59.4-162.6-175.27.3113.5G274 M308 V354 S362G274-R358 PolarHBondContact O-NH2 3.03Å; M308-R358 HydrophobicContact CE-CB 3.65Å; V354-R358 HydrophobicContact CG1-CG 4.43Å; V354-R358 VanDerWaalsContact O-CB 3.29Å; V354-R358 WeakPolarHBondContact O-CB 3.3Å; V354-R358 VanDerWaalsContact O-CG 3.28Å; V354-R358 WeakPolarHBondContact O-CG 3.4Å; V354-R358 PolarHBondContact O-N 3.44Å; R358-S362 VanDerWaalsContact C-OG 3.29Å; R358-S362 WeakPolarHBondContact O-CB 3.29Å; R358-S362 PolarHBondContact O-OG 2.96Å
359G98.9Very high98.9Very high0 Ų032.7 Ų32.70%017%0.174CC..Iπ-helixtrans-108-54.8-174.700000114I355 S362 K364 M365I355-G359 VanDerWaalsContact O-CA 3.25Å; I355-G359 WeakPolarHBondContact O-CA 3.24Å; I355-G359 PolarHBondContact O-N 3.01Å; G359-S362 PolarHBondContact O-OG 2.73Å; G359-K364 WeakPolarHBondContact O-CB 3.44Å; G359-K364 PolarHBondContact O-N 3.27Å; G359-M365 PolarHBondContact O-N 3.13Å
360V98.9Very high98.9Very high24 Ų2432.3 Ų32.315%0.14517%0.173CC..Iπ-helixtrans-84-53.9-174.8-176.90000111.3W356 S362 G363 M365 F370W356-V360 HydrophobicContact CD2-CB 4.03Å; W356-V360 HydrophobicContact CD2-CG1 4.33Å; W356-V360 HydrophobicContact CD2-CG2 4.21Å; W356-V360 HydrophobicContact CE3-CB 4.22Å; W356-V360 HydrophobicContact CE3-CG1 4.43Å; W356-V360 HydrophobicContact CE3-CG2 3.94Å; W356-V360 HydrophobicContact CG-CB 4.4Å; W356-V360 HydrophobicContact CH2-CG1 3.85Å; W356-V360 HydrophobicContact CZ2-CB 4.34Å; W356-V360 HydrophobicContact CZ2-CG1 3.74Å; W356-V360 HydrophobicContact CZ3-CB 4.47Å; W356-V360 HydrophobicContact CZ3-CG1 4.22Å; W356-V360 HydrophobicContact CZ3-CG2 4.18Å; W356-V360 WeakPolarHBondContact O-CA 3.45Å; W356-V360 WeakPolarHBondContact O-CB 3.45Å; W356-V360 PolarHBondContact O-N 3.19Å; V360-S362 PolarHBondContact O-N 2.98Å; V360-G363 PolarHBondContact O-N 3.05Å; V360-M365 WeakPolarHBondContact CA-O 3.47Å; V360-M365 HydrophobicContact CG2-CG 4.08Å; V360-F370 HydrophobicContact CG2-CB 3.63Å; V360-F370 HydrophobicContact CG2-CD2 4.04Å; V360-F370 HydrophobicContact CG2-CG 4.04Å
361H98.9Very high98.9Very high97 Ų9732.4 Ų32.445%0.44917%0.173SC..Iπ-helixtrans-62.4-34.5-178.8-177.769.7000112W356 E357 G363 H430W356-H361 PolarHBondContact O-N 2.92Å; E357-H361 IonicContact OE1-CD2 2.84Å; E357-H361 IonicContact OE2-CD2 2.71Å; E357-H361 IonicContact OE2-CG 3.66Å; H361-G363 PolarHBondContact O-N 3.38Å; H361-H430 HydrophobicContact CB-CB 4.39Å; H361-H430 AromaticContact CD2-CE1 3.77Å; H361-H430 AromaticContact CD2-ND1 3.45Å; H361-H430 PolarHBondContact CD2-ND1 3.43Å; H361-H430 AromaticContact CE1-CD2 3.96Å; H361-H430 AromaticContact CE1-CE1 3.28Å; H361-H430 PolarHBondContact CE1-CE1 2.91Å; H361-H430 AromaticContact CE1-CG 3.9Å; H361-H430 AromaticContact CE1-ND1 3.49Å; H361-H430 PolarHBondContact CE1-ND1 2.76Å; H361-H430 AromaticContact CE1-NE2 3.59Å; H361-H430 AromaticContact CG-CG 3.94Å; H361-H430 AromaticContact CG-ND1 3.57Å; H361-H430 AromaticContact ND1-CE1 3.84Å; H361-H430 AromaticContact ND1-CG 3.7Å; H361-H430 AromaticContact ND1-ND1 3.59Å; H361-H430 AromaticContact NE2-CE1 3.23Å; H361-H430 PolarHBondContact NE2-CE1 3.37Å; H361-H430 AromaticContact NE2-ND1 3.42Å; H361-H430 PolarHBondContact NE2-ND1 3.1Å; H361-H430 AromaticContact NE2-NE2 3.98Å
362S98.8Very high98.9Very high64 Ų6432.7 Ų32.745%0.44818%0.176SC..THydrogen-bonded Turntrans-71-11.1174.571.80000114.7E357 R358 G359 V360 K364E357-S362 PolarHBondContact O-N 2.83Å; R358-S362 VanDerWaalsContact C-OG 3.29Å; R358-S362 WeakPolarHBondContact O-CB 3.29Å; R358-S362 PolarHBondContact O-OG 2.96Å; G359-S362 PolarHBondContact O-OG 2.73Å; V360-S362 PolarHBondContact O-N 2.98Å; S362-K364 WeakPolarHBondContact OG-CG 3.21Å
363G98.8Very high98.9Very high64 Ų6432.7 Ų32.766%0.6618%0.176SC*.THydrogen-bonded Turntrans78.612.8-17800000115.2V360 H361V360-G363 PolarHBondContact O-N 3.05Å; H361-G363 PolarHBondContact O-N 3.38Å
364K98.9Very high98.9Very high67 Ų6732.8 Ų32.829%0.29118%0.176SC..SBendtrans-74.2-35177.2-70.9178.6177.1-730112.6A305 M308 D309 A312 G359 S362A305-K364 PolarHBondContact O-NZ 3.49Å; M308-K364 HydrophobicContact CB-CD 3.87Å; M308-K364 HydrophobicContact CG-CB 4.34Å; M308-K364 HydrophobicContact CG-CD 3.57Å; D309-K364 WeakPolarHBondContact OD1-CD 3.29Å; D309-K364 IonicContact OD1-NZ 3.53Å; D309-K364 PolarHBondContact OD1-NZ 3.1Å; D309-K364 IonicContact OD2-NZ 3.68Å; D309-K364 PolarHBondContact OD2-NZ 3Å; A312-K364 VanDerWaalsContact CB-O 3.24Å; A312-K364 WeakPolarHBondContact CB-O 3.28Å; G359-K364 WeakPolarHBondContact O-CB 3.44Å; G359-K364 PolarHBondContact O-N 3.27Å; S362-K364 WeakPolarHBondContact OG-CG 3.21Å
365M98.9Very high98.9Very high16 Ų1632.8 Ų32.88%0.07918%0.176CC..SBendtrans-140.2160.5175.673.3179.966.700111.2M308 L311 A312 G359 V360 R369 F370 V373M308-M365 HydrophobicContact CG-CE 4.41Å; M308-M365 HydrophobicContact SD-CE 3.47Å; M308-M365 WeakPolarHBondContact SD-CE 3.22Å; L311-M365 HydrophobicContact CB-CE 4.36Å; L311-M365 HydrophobicContact CD2-CE 4.15Å; L311-M365 HydrophobicContact CG-CE 4.08Å; A312-M365 HydrophobicContact CB-CB 3.84Å; A312-M365 HydrophobicContact CB-CE 4.08Å; G359-M365 PolarHBondContact O-N 3.13Å; V360-M365 WeakPolarHBondContact CA-O 3.47Å; V360-M365 HydrophobicContact CG2-CG 4.08Å; M365-R369 HydrophobicContact CB-CB 3.98Å; M365-R369 HydrophobicContact CB-CG 3.88Å; M365-R369 HydrophobicContact CG-CB 4.43Å; M365-R369 HydrophobicContact CG-CG 4.4Å; M365-R369 HydrophobicContact SD-CB 4.34Å; M365-R369 HydrophobicContact SD-CG 3.95Å; M365-F370 HydrophobicContact SD-CB 4.4Å; M365-V373 HydrophobicContact SD-CG2 4.17Å
366D98.9Very high98.9Very high91 Ų9132.8 Ų32.849%0.48718%0.176SC..  trans-86.9175.1172.763.429.8000112.5N368 R369 F370D366-N368 PolarHBondContact O-N 3.22Å; D366-N368 WeakPolarHBondContact OD1-CB 3.42Å; D366-N368 PolarHBondContact OD1-N 3.18Å; D366-R369 PolarHBondContact O-N 2.82Å; D366-R369 WeakPolarHBondContact OD1-CB 3.32Å; D366-R369 PolarHBondContact OD1-N 2.74Å; D366-F370 PolarHBondContact O-N 3.32Å
367E98.9Very high98.9Very high36 Ų3632.8 Ų32.817%0.16818%0.177CC..Hα-helixtrans-63.1-26.8178.160.8-175.3-156.100113.2K13 V15 S20 L54 W356 F370 V371K13-E367 VanDerWaalsContact CE-OE1 3.26Å; K13-E367 WeakPolarHBondContact CE-OE1 3.46Å; K13-E367 IonicContact NZ-OE1 3.14Å; K13-E367 PolarHBondContact NZ-OE1 2.92Å; K13-E367 IonicContact NZ-OE2 3.69Å; K13-E367 PolarHBondContact NZ-OE2 3.32Å; V15-E367 HydrophobicContact CG1-CB 4.01Å; V15-E367 HydrophobicContact CG1-CG 3.79Å; V15-E367 WeakPolarHBondContact CG1-O 3.44Å; V15-E367 HydrophobicContact CG2-CG 4.33Å; S20-E367 WeakPolarHBondContact CB-OE1 3.43Å; S20-E367 PolarHBondContact OG-OE1 3.14Å; L54-E367 HydrophobicContact CD1-CB 4.49Å; W356-E367 HydrophobicContact CH2-CB 4.13Å; W356-E367 HydrophobicContact CZ3-CB 4.3Å; E367-F370 WeakPolarHBondContact O-CB 3.45Å; E367-V371 WeakPolarHBondContact O-CG2 3.35Å; E367-V371 PolarHBondContact O-N 2.96Å; E367-V371 VanDerWaalsContact O-N 3.16Å
368N98.9Very high98.9Very high25 Ų2531.3 Ų31.313%0.13417%0.17CC..Hα-helixtrans-75.6-43.7179.9-57.298.2000110.4N16 E17 C19 S20 D366 F370 V371 A372N16-N368 WeakPolarHBondContact O-CB 3.44Å; N16-N368 PolarHBondContact O-ND2 2.98Å; E17-N368 WeakPolarHBondContact CA-O 3.39Å; C19-N368 WeakPolarHBondContact CA-ND2 3.44Å; C19-N368 PolarHBondContact O-ND2 2.93Å; C19-N368 VanDerWaalsContact O-ND2 3.16Å; S20-N368 PolarHBondContact N-ND2 2.74Å; S20-N368 PolarHBondContact OG-ND2 3.37Å; S20-N368 PolarHBondContact OG-OD1 2.94Å; D366-N368 PolarHBondContact O-N 3.22Å; D366-N368 WeakPolarHBondContact OD1-CB 3.42Å; D366-N368 PolarHBondContact OD1-N 3.18Å; N368-F370 VanDerWaalsContact C-N 3.3Å; N368-F370 PolarHBondContact O-N 2.97Å; N368-V371 PolarHBondContact O-N 3.3Å; N368-A372 PolarHBondContact O-N 3.49Å
369R98.9Very high98.9Very high42 Ų4226 Ų2616%0.15815%0.15CC..Hα-helixtrans-64-37172.8-176.862.8-171168.17.1111.3L311 A312 D314 L316 M365 D366 V371 A372 V373L311-R369 VanDerWaalsContact O-CZ 3.28Å; L311-R369 PolarHBondContact O-NE 3.17Å; L311-R369 PolarHBondContact O-NH2 2.7Å; A312-R369 PolarHBondContact O-NE 3.46Å; D314-R369 VanDerWaalsContact CA-NH2 3.27Å; D314-R369 IonicContact OD1-CZ 3.51Å; D314-R369 VanDerWaalsContact OD1-CZ 3.22Å; D314-R369 IonicContact OD1-NH1 2.7Å; D314-R369 PolarHBondContact OD1-NH1 3.46Å; D314-R369 IonicContact OD1-NH2 3.97Å; D314-R369 PolarHBondContact OD1-NH2 3.44Å; L316-R369 PolarHBondContact O-NH2 3.01Å; M365-R369 HydrophobicContact CB-CB 3.98Å; M365-R369 HydrophobicContact CB-CG 3.88Å; M365-R369 HydrophobicContact CG-CB 4.43Å; M365-R369 HydrophobicContact CG-CG 4.4Å; M365-R369 HydrophobicContact SD-CB 4.34Å; M365-R369 HydrophobicContact SD-CG 3.95Å; D366-R369 PolarHBondContact O-N 2.82Å; D366-R369 WeakPolarHBondContact OD1-CB 3.32Å; D366-R369 PolarHBondContact OD1-N 2.74Å; R369-V371 VanDerWaalsContact C-N 3.35Å; R369-V371 PolarHBondContact O-N 2.92Å; R369-A372 WeakPolarHBondContact O-CB 3.37Å; R369-A372 PolarHBondContact O-N 2.87Å; R369-A372 VanDerWaalsContact O-N 3.15Å; R369-V373 HydrophobicContact CG-CG1 4.43Å; R369-V373 VanDerWaalsContact CZ-CG1 3.44Å; R369-V373 WeakPolarHBondContact O-CG2 3.27Å; R369-V373 PolarHBondContact O-N 3.34Å
370F99Very high98.9Very high0 Ų027.9 Ų27.90%016%0.158CC..Hα-helixtrans-55.8-47.8171.2173.2-96.2000111.9I56 M352 I355 W356 V360 M365 D366 E367 N368 A372 V373 T374 W402I56-F370 HydrophobicContact CD1-CE1 4.05Å; M352-F370 HydrophobicContact CB-CZ 4.36Å; M352-F370 HydrophobicContact CE-CE1 3.75Å; M352-F370 HydrophobicContact CE-CZ 3.65Å; M352-F370 WeakPolarHBondContact O-CE2 3.42Å; M352-F370 HydrophobicContact SD-CZ 4.22Å; I355-F370 HydrophobicContact CB-CD2 4.47Å; I355-F370 HydrophobicContact CB-CE2 4.11Å; I355-F370 HydrophobicContact CG2-CD2 3.85Å; I355-F370 HydrophobicContact CG2-CE2 3.98Å; W356-F370 HydrophobicContact CB-CE2 3.96Å; W356-F370 HydrophobicContact CB-CZ 4.37Å; W356-F370 AromaticContact CE3-CD1 3.85Å; W356-F370 HydrophobicContact CE3-CD1 3.85Å; W356-F370 HydrophobicContact CE3-CD2 4.1Å; W356-F370 AromaticContact CE3-CE1 3.85Å; W356-F370 HydrophobicContact CE3-CE1 3.85Å; W356-F370 HydrophobicContact CE3-CE2 4.1Å; W356-F370 AromaticContact CE3-CG 3.97Å; W356-F370 HydrophobicContact CE3-CG 3.97Å; W356-F370 AromaticContact CE3-CZ 3.97Å; W356-F370 HydrophobicContact CE3-CZ 3.97Å; W356-F370 AromaticContact CZ3-CD1 3.99Å; W356-F370 HydrophobicContact CZ3-CD1 3.99Å; W356-F370 HydrophobicContact CZ3-CE1 4.27Å; W356-F370 HydrophobicContact CZ3-CG 4.28Å; V360-F370 HydrophobicContact CG2-CB 3.63Å; V360-F370 HydrophobicContact CG2-CD2 4.04Å; V360-F370 HydrophobicContact CG2-CG 4.04Å; M365-F370 HydrophobicContact SD-CB 4.4Å; D366-F370 PolarHBondContact O-N 3.32Å; E367-F370 WeakPolarHBondContact O-CB 3.45Å; N368-F370 VanDerWaalsContact C-N 3.3Å; N368-F370 PolarHBondContact O-N 2.97Å; F370-A372 VanDerWaalsContact C-N 3.31Å; F370-A372 PolarHBondContact O-N 3.05Å; F370-V373 PolarHBondContact O-N 3.49Å; F370-T374 HydrophobicContact CD2-CG2 4.02Å; F370-T374 HydrophobicContact CE2-CG2 3.77Å; F370-T374 HydrophobicContact CG-CG2 4.5Å; F370-T374 HydrophobicContact CZ-CG2 4.04Å; F370-T374 WeakPolarHBondContact O-CB 3.5Å; F370-T374 WeakPolarHBondContact O-CG2 3.35Å; F370-T374 PolarHBondContact O-N 3.14Å; F370-T374 VanDerWaalsContact O-N 3.09Å; F370-T374 PolarHBondContact O-OG1 2.78Å; F370-W402 HydrophobicContact CZ-CZ2 4.43Å
371V98.9Very high98.9Very high2 Ų226.8 Ų26.81%0.01215%0.151CC..Hα-helixtrans-60.6-41.9175.3169.40000111.4V15 E17 I56 P57 E367 N368 R369 V373 S375 S376V15-V371 HydrophobicContact CB-CG2 4.38Å; V15-V371 HydrophobicContact CG1-CG2 3.81Å; E17-V371 HydrophobicContact CB-CG1 4.49Å; I56-V371 HydrophobicContact CB-CG2 4.16Å; I56-V371 HydrophobicContact CG2-CG2 3.8Å; P57-V371 HydrophobicContact CG-CG1 3.81Å; E367-V371 WeakPolarHBondContact O-CG2 3.35Å; E367-V371 PolarHBondContact O-N 2.96Å; E367-V371 VanDerWaalsContact O-N 3.16Å; N368-V371 PolarHBondContact O-N 3.3Å; R369-V371 VanDerWaalsContact C-N 3.35Å; R369-V371 PolarHBondContact O-N 2.92Å; V371-V373 PolarHBondContact O-N 2.81Å; V371-S375 PolarHBondContact O-N 3.22Å; V371-S375 PolarHBondContact O-OG 3.33Å; V371-S376 PolarHBondContact O-N 3.49Å
372A98.9Very high98.9Very high6 Ų622.2 Ų22.25%0.0513%0.13CC..Iπ-helixtrans-57.6-50.9178.100000112.2E17 N368 R369 F370 S376 N377E17-A372 HydrophobicContact CB-CB 3.89Å; N368-A372 PolarHBondContact O-N 3.49Å; R369-A372 WeakPolarHBondContact O-CB 3.37Å; R369-A372 PolarHBondContact O-N 2.87Å; R369-A372 VanDerWaalsContact O-N 3.15Å; F370-A372 VanDerWaalsContact C-N 3.31Å; F370-A372 PolarHBondContact O-N 3.05Å; A372-S376 PolarHBondContact O-N 3.19Å; A372-N377 VanDerWaalsContact O-CB 3.24Å; A372-N377 WeakPolarHBondContact O-CB 3.39Å; A372-N377 PolarHBondContact O-N 2.88Å
373V98.9Very high98.9Very high0 Ų021.7 Ų21.70%012%0.122CC..Iπ-helixtrans-82-16.4-172-58.20000114.1L311 V318 T319 M365 R369 F370 V371L311-V373 HydrophobicContact CD1-CB 3.84Å; L311-V373 HydrophobicContact CD1-CG1 3.64Å; L311-V373 HydrophobicContact CD1-CG2 4.46Å; L311-V373 HydrophobicContact CD2-CB 4.34Å; L311-V373 HydrophobicContact CD2-CG2 4.09Å; L311-V373 HydrophobicContact CG-CB 4.14Å; L311-V373 HydrophobicContact CG-CG1 3.92Å; L311-V373 HydrophobicContact CG-CG2 4.25Å; V318-V373 CarbonylContact C-O 3.45Å; V318-V373 WeakPolarHBondContact CA-O 3.44Å; T319-V373 PolarHBondContact N-O 3.25Å; T319-V373 PolarHBondContact OG1-O 3.18Å; M365-V373 HydrophobicContact SD-CG2 4.17Å; R369-V373 HydrophobicContact CG-CG1 4.43Å; R369-V373 VanDerWaalsContact CZ-CG1 3.44Å; R369-V373 WeakPolarHBondContact O-CG2 3.27Å; R369-V373 PolarHBondContact O-N 3.34Å; F370-V373 PolarHBondContact O-N 3.49Å; V371-V373 PolarHBondContact O-N 2.81Å
374T99Very high98.9Very high1 Ų119 Ų191%0.0069%0.093CC..Iπ-helixtrans-102.2-16.2179.259.10000113.5I60 R351 M352 I355 F370I60-T374 PolarHBondContact N-O 3.11Å; I60-T374 VanDerWaalsContact O-O 3.12Å; R351-T374 PolarHBondContact NH1-O 3.24Å; R351-T374 VanDerWaalsContact NH1-O 3.1Å; R351-T374 PolarHBondContact NH2-O 3.17Å; M352-T374 HydrophobicContact SD-CG2 3.89Å; I355-T374 HydrophobicContact CD1-CG2 4.06Å; I355-T374 HydrophobicContact CG2-CG2 4.39Å; F370-T374 HydrophobicContact CD2-CG2 4.02Å; F370-T374 HydrophobicContact CE2-CG2 3.77Å; F370-T374 HydrophobicContact CG-CG2 4.5Å; F370-T374 HydrophobicContact CZ-CG2 4.04Å; F370-T374 WeakPolarHBondContact O-CB 3.5Å; F370-T374 WeakPolarHBondContact O-CG2 3.35Å; F370-T374 PolarHBondContact O-N 3.14Å; F370-T374 VanDerWaalsContact O-N 3.09Å; F370-T374 PolarHBondContact O-OG1 2.78Å
375S98.9Very high98.9Very high0 Ų019.4 Ų19.40%09%0.093CC..Iπ-helixtrans-146.9-61.9-17969.60000114.5I60 V371 N377 A378 A379I60-S375 WeakPolarHBondContact CD1-O 3.49Å; V371-S375 PolarHBondContact O-N 3.22Å; V371-S375 PolarHBondContact O-OG 3.33Å; S375-N377 PolarHBondContact O-N 3.05Å; S375-A378 WeakPolarHBondContact O-CB 3.32Å; S375-A378 PolarHBondContact O-N 3Å; S375-A378 VanDerWaalsContact O-N 3.11Å; S375-A379 PolarHBondContact O-N 3.3Å
376S99Very high98.9Very high0 Ų021.9 Ų21.90%011%0.11CC..Iπ-helixtrans-62.9-40.2-165.2-43.10000113.1V371 A372 A379 K380 G389V371-S376 PolarHBondContact O-N 3.49Å; A372-S376 PolarHBondContact O-N 3.19Å; S376-A379 PolarHBondContact O-N 3.11Å; S376-K380 WeakPolarHBondContact O-CB 3.44Å; S376-K380 VanDerWaalsContact O-CG 3.23Å; S376-K380 WeakPolarHBondContact O-CG 3.44Å; S376-K380 PolarHBondContact O-N 3.39Å; S376-G389 WeakPolarHBondContact CB-O 3.34Å; S376-G389 PolarHBondContact OG-O 3.39Å
377N98.9Very high98.9Very high12 Ų1221.4 Ų21.46%0.06411%0.105CC..Hα-helixtrans-69.1-36.4178.8-71.1-14.7000111.8S317 V318 A372 S375 K380 I381S317-N377 WeakPolarHBondContact O-CB 3.33Å; S317-N377 PolarHBondContact O-ND2 3.35Å; V318-N377 HydrophobicContact CB-CB 4.23Å; V318-N377 HydrophobicContact CG2-CB 4.46Å; A372-N377 VanDerWaalsContact O-CB 3.24Å; A372-N377 WeakPolarHBondContact O-CB 3.39Å; A372-N377 PolarHBondContact O-N 2.88Å; S375-N377 PolarHBondContact O-N 3.05Å; N377-K380 PolarHBondContact O-N 2.93Å; N377-I381 WeakPolarHBondContact O-CB 3.39Å; N377-I381 VanDerWaalsContact O-CG1 3.23Å; N377-I381 WeakPolarHBondContact O-CG1 3.31Å; N377-I381 PolarHBondContact O-N 2.98Å
378A98.9Very high98.9Very high0 Ų020 Ų200%010%0.098CC..Hα-helixtrans-59.3-49.2171.700000110.8I60 T62 V318 S375 K380 I381 F382I60-A378 HydrophobicContact CB-CB 3.95Å; I60-A378 HydrophobicContact CD1-CB 4.46Å; I60-A378 HydrophobicContact CG2-CB 3.67Å; T62-A378 HydrophobicContact CG2-CB 3.36Å; V318-A378 HydrophobicContact CG2-CB 3.8Å; S375-A378 WeakPolarHBondContact O-CB 3.32Å; S375-A378 PolarHBondContact O-N 3Å; S375-A378 VanDerWaalsContact O-N 3.11Å; A378-K380 VanDerWaalsContact C-N 3.32Å; A378-K380 PolarHBondContact O-N 3.48Å; A378-I381 PolarHBondContact O-N 3.2Å; A378-F382 HydrophobicContact CB-CD2 4.49Å; A378-F382 WeakPolarHBondContact O-CB 3.29Å; A378-F382 VanDerWaalsContact O-CD2 3.24Å; A378-F382 WeakPolarHBondContact O-CD2 3.13Å; A378-F382 PolarHBondContact O-N 3.28Å
379A98.9Very high98.9Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-62.4-37178.500000112.8I60 S375 S376 N383 F384 Y385 K388I60-A379 HydrophobicContact CD1-CB 3.97Å; S375-A379 PolarHBondContact O-N 3.3Å; S376-A379 PolarHBondContact O-N 3.11Å; A379-N383 PolarHBondContact O-N 3.38Å; A379-F384 VanDerWaalsContact CA-CE2 3.46Å; A379-F384 HydrophobicContact CB-CD2 3.65Å; A379-F384 HydrophobicContact CB-CE2 3.65Å; A379-F384 PolarHBondContact O-N 3.11Å; A379-Y385 HydrophobicContact CB-CD2 4.46Å; A379-Y385 PolarHBondContact O-N 2.85Å; A379-Y385 VanDerWaalsContact O-N 3.15Å; A379-K388 WeakPolarHBondContact CB-O 3.33Å
380K98.9Very high98.9Very high39 Ų3919.4 Ų19.417%0.1710%0.096CC..Hα-helixtrans-67.7-50.5175.7-72.4166.7-172.51710111.4E17 S376 N377 A378 N383 Y385 S465 F467E17-K380 WeakPolarHBondContact OE1-CE 3.48Å; E17-K380 IonicContact OE1-NZ 2.85Å; E17-K380 PolarHBondContact OE1-NZ 2.98Å; S376-K380 WeakPolarHBondContact O-CB 3.44Å; S376-K380 VanDerWaalsContact O-CG 3.23Å; S376-K380 WeakPolarHBondContact O-CG 3.44Å; S376-K380 PolarHBondContact O-N 3.39Å; N377-K380 PolarHBondContact O-N 2.93Å; A378-K380 VanDerWaalsContact C-N 3.32Å; A378-K380 PolarHBondContact O-N 3.48Å; K380-N383 PolarHBondContact O-N 2.78Å; K380-Y385 HydrophobicContact CD-CG 4.45Å; K380-Y385 HydrophobicContact CG-CD1 3.88Å; K380-Y385 HydrophobicContact CG-CD2 4Å; K380-Y385 HydrophobicContact CG-CG 3.58Å; K380-S465 PolarHBondContact O-OG 3.08Å; K380-F467 HydrophobicContact CB-CB 3.97Å; K380-F467 HydrophobicContact CB-CD1 3.87Å; K380-F467 HydrophobicContact CB-CD2 4.18Å; K380-F467 HydrophobicContact CB-CE1 4.38Å; K380-F467 HydrophobicContact CB-CG 3.75Å; K380-F467 HydrophobicContact CD-CD2 4.32Å; K380-F467 HydrophobicContact CD-CE2 4.37Å
381I98.9Very high98.9Very high1 Ų119.6 Ų19.61%0.00510%0.097CC..Hα-helixtrans-61.9-48.1-178.4-69.3167.5000110.5I184 Y241 F265 V318 N377 A378 N383 S465 F467 V468I184-I381 HydrophobicContact CD1-CG2 3.84Å; Y241-I381 HydrophobicContact CD2-CD1 4.43Å; Y241-I381 HydrophobicContact CD2-CG2 4.13Å; Y241-I381 HydrophobicContact CE2-CD1 4.04Å; Y241-I381 HydrophobicContact CE2-CG2 4.25Å; F265-I381 HydrophobicContact CB-CD1 4.4Å; F265-I381 HydrophobicContact CD1-CD1 3.97Å; F265-I381 HydrophobicContact CD1-CG1 4.44Å; F265-I381 HydrophobicContact CE1-CD1 4.4Å; F265-I381 HydrophobicContact CE1-CG1 4.41Å; F265-I381 HydrophobicContact CG-CD1 4.08Å; V318-I381 HydrophobicContact CG1-CD1 4.15Å; N377-I381 WeakPolarHBondContact O-CB 3.39Å; N377-I381 VanDerWaalsContact O-CG1 3.23Å; N377-I381 WeakPolarHBondContact O-CG1 3.31Å; N377-I381 PolarHBondContact O-N 2.98Å; A378-I381 PolarHBondContact O-N 3.2Å; I381-N383 VanDerWaalsContact C-N 3.33Å; I381-N383 PolarHBondContact O-N 3.36Å; I381-S465 WeakPolarHBondContact O-CB 3.37Å; I381-S465 PolarHBondContact O-OG 2.93Å; I381-F467 HydrophobicContact CD1-CE1 4.44Å; I381-F467 HydrophobicContact CG1-CD1 3.79Å; I381-F467 HydrophobicContact CG1-CE1 3.73Å; I381-V468 HydrophobicContact CG2-CG2 4.3Å
382F98.9Very high98.9Very high0 Ų020.8 Ų20.80%011%0.107CC..THydrogen-bonded Turntrans-92.711.6-174.9-57.4-62000114T62 L95 H128 N152 I184 Y241 A378 F384 R461T62-F382 HydrophobicContact CG2-CD2 4.12Å; T62-F382 HydrophobicContact CG2-CE2 3.57Å; L95-F382 HydrophobicContact CD2-CB 4.05Å; L95-F382 HydrophobicContact CD2-CD1 4.3Å; L95-F382 HydrophobicContact CD2-CD2 3.62Å; L95-F382 HydrophobicContact CD2-CE2 4.14Å; L95-F382 HydrophobicContact CD2-CG 3.71Å; H128-F382 AromaticContact CE1-CD1 3.81Å; H128-F382 AromaticContact CE1-CE1 3.4Å; H128-F382 WeakPolarHBondContact CE1-CE1 3.23Å; H128-F382 AromaticContact CE1-CZ 3.62Å; N152-F382 PolarHBondContact ND2-O 2.8Å; I184-F382 HydrophobicContact CG2-CD1 4.39Å; I184-F382 HydrophobicContact CG2-CE1 4.04Å; Y241-F382 HydrophobicContact CD2-CZ 4.27Å; Y241-F382 HydrophobicContact CE2-CE2 4.31Å; Y241-F382 AromaticContact CE2-CZ 3.84Å; Y241-F382 HydrophobicContact CE2-CZ 3.84Å; A378-F382 HydrophobicContact CB-CD2 4.49Å; A378-F382 WeakPolarHBondContact O-CB 3.29Å; A378-F382 VanDerWaalsContact O-CD2 3.24Å; A378-F382 WeakPolarHBondContact O-CD2 3.13Å; A378-F382 PolarHBondContact O-N 3.28Å; F382-F384 HydrophobicContact CB-CD1 4.17Å; F382-F384 HydrophobicContact CB-CE1 3.43Å; F382-F384 VanDerWaalsContact CB-CE1 3.43Å; F382-F384 HydrophobicContact CB-CZ 4.13Å; F382-F384 VanDerWaalsContact O-CD1 3.28Å; F382-F384 WeakPolarHBondContact O-CD1 3.31Å; F382-R461 WeakPolarHBondContact O-CD 3.41Å; F382-R461 WeakPolarHBondContact O-CG 3.3Å
383N98.9Very high98.9Very high54 Ų5427 Ų2729%0.28913%0.133SC..THydrogen-bonded Turntrans6948.3164.5-151.221.1000117N152 A379 K380 I381 G462 P463N152-N383 WeakPolarHBondContact ND2-CB 3.48Å; A379-N383 PolarHBondContact O-N 3.38Å; K380-N383 PolarHBondContact O-N 2.78Å; I381-N383 VanDerWaalsContact C-N 3.33Å; I381-N383 PolarHBondContact O-N 3.36Å; N383-G462 PolarHBondContact ND2-O 3.32Å; N383-P463 PolarHBondContact ND2-O 2.92Å
384F98.9Very high98.9Very high8 Ų832.6 Ų32.64%0.03516%0.163CC..  trans-142.128.717149.4-93.8000112.1I60 M93 L95 A379 F382 Q387 K388 V459 R461I60-F384 HydrophobicContact CD1-CE2 3.84Å; I60-F384 HydrophobicContact CG2-CZ 4.35Å; M93-F384 HydrophobicContact CE-CE1 4.01Å; M93-F384 HydrophobicContact CE-CE2 4.17Å; M93-F384 HydrophobicContact CE-CZ 3.74Å; M93-F384 HydrophobicContact SD-CD2 4.39Å; M93-F384 HydrophobicContact SD-CE2 3.65Å; M93-F384 HydrophobicContact SD-CZ 3.75Å; L95-F384 HydrophobicContact CD1-CZ 4.32Å; A379-F384 VanDerWaalsContact CA-CE2 3.46Å; A379-F384 HydrophobicContact CB-CD2 3.65Å; A379-F384 HydrophobicContact CB-CE2 3.65Å; A379-F384 PolarHBondContact O-N 3.11Å; F382-F384 HydrophobicContact CB-CD1 4.17Å; F382-F384 HydrophobicContact CB-CE1 3.43Å; F382-F384 VanDerWaalsContact CB-CE1 3.43Å; F382-F384 HydrophobicContact CB-CZ 4.13Å; F382-F384 VanDerWaalsContact O-CD1 3.28Å; F382-F384 WeakPolarHBondContact O-CD1 3.31Å; F384-Q387 CarbonylContact O-C 3.53Å; F384-Q387 WeakPolarHBondContact O-CA 3.47Å; F384-Q387 VanDerWaalsContact O-CB 3.29Å; F384-Q387 WeakPolarHBondContact O-CB 3.47Å; F384-Q387 PolarHBondContact O-N 3.48Å; F384-K388 HydrophobicContact CD2-CB 4.01Å; F384-K388 HydrophobicContact CD2-CD 4.26Å; F384-K388 HydrophobicContact CD2-CG 4.29Å; F384-K388 HydrophobicContact CE2-CB 4.34Å; F384-K388 HydrophobicContact CE2-CD 4.38Å; F384-K388 PolarHBondContact O-N 2.87Å; F384-V459 HydrophobicContact CB-CG1 4.43Å; F384-R461 HydrophobicContact CD1-CG 3.82Å; F384-R461 HydrophobicContact CE1-CG 4.28Å
385Y98.9Very high98.9Very high75 Ų7532.8 Ų32.829%0.29416%0.164SC..THydrogen-bonded Turntrans-93.2138.3168.5177.5-89.2000110.4E17 A379 K380 R390E17-Y385 WeakPolarHBondContact OE1-CE2 3.42Å; E17-Y385 VanDerWaalsContact OE1-CZ 3.31Å; E17-Y385 PolarHBondContact OE1-OH 2.95Å; A379-Y385 HydrophobicContact CB-CD2 4.46Å; A379-Y385 PolarHBondContact O-N 2.85Å; A379-Y385 VanDerWaalsContact O-N 3.15Å; K380-Y385 HydrophobicContact CD-CG 4.45Å; K380-Y385 HydrophobicContact CG-CD1 3.88Å; K380-Y385 HydrophobicContact CG-CD2 4Å; K380-Y385 HydrophobicContact CG-CG 3.58Å; Y385-R390 HydrophobicContact CE2-CB 4.06Å; Y385-R390 WeakPolarHBondContact OH-CD 3.46Å
386P98.8Very high98.9Very high68 Ų6833.5 Ų33.544%0.44217%0.168SC..THydrogen-bonded Turncis-90.517.20.837.9-36.6000113.6K388 R390 S395P386-K388 PolarHBondContact O-N 2.92Å; P386-R390 HydrophobicContact CB-CB 4.27Å; P386-S395 WeakPolarHBondContact O-CB 3.25Å; P386-S395 PolarHBondContact O-OG 3.19Å; P386-S395 VanDerWaalsContact O-OG 3.09Å
387Q98.9Very high98.9Very high80 Ų8033.5 Ų33.537%0.37417%0.168SC..THydrogen-bonded Turntrans-54.5-39.8177.5176.1-172.7-19.400111.4F384 D396F384-Q387 CarbonylContact O-C 3.53Å; F384-Q387 WeakPolarHBondContact O-CA 3.47Å; F384-Q387 VanDerWaalsContact O-CB 3.29Å; F384-Q387 WeakPolarHBondContact O-CB 3.47Å; F384-Q387 PolarHBondContact O-N 3.48Å; Q387-D396 WeakPolarHBondContact CG-OD2 3.45Å; Q387-D396 PolarHBondContact NE2-OD2 3.36Å; Q387-D396 WeakPolarHBondContact O-CB 3.45Å; Q387-D396 PolarHBondContact O-N 3.12Å
388K98.9Very high98.8Very high6 Ų633.3 Ų33.33%0.02617%0.167CC..SBendtrans-126.5168.8166.2-55.5-175.1-175.3-59.40110.5I60 M93 D124 A379 F384 P386 R390 D396 D398I60-K388 HydrophobicContact CD1-CB 4.11Å; M93-K388 HydrophobicContact SD-CD 3.56Å; M93-K388 VanDerWaalsContact SD-CD 3.56Å; D124-K388 IonicContact OD2-NZ 3.65Å; D124-K388 PolarHBondContact OD2-NZ 3.5Å; A379-K388 WeakPolarHBondContact CB-O 3.33Å; F384-K388 HydrophobicContact CD2-CB 4.01Å; F384-K388 HydrophobicContact CD2-CD 4.26Å; F384-K388 HydrophobicContact CD2-CG 4.29Å; F384-K388 HydrophobicContact CE2-CB 4.34Å; F384-K388 HydrophobicContact CE2-CD 4.38Å; F384-K388 PolarHBondContact O-N 2.87Å; P386-K388 PolarHBondContact O-N 2.92Å; K388-R390 VanDerWaalsContact C-N 3.3Å; K388-D396 HydrophobicContact CG-CB 4.27Å; K388-D396 IonicContact NZ-OD2 3.98Å; K388-D396 PolarHBondContact NZ-OD2 3.34Å; K388-D398 IonicContact NZ-OD2 3Å; K388-D398 PolarHBondContact NZ-OD2 3.37Å
389G98.8Very high98.8Very high5 Ų533.3 Ų33.35%0.05217%0.167CC..SBendtrans75.716.9178.600000114.2S376S376-G389 WeakPolarHBondContact CB-O 3.34Å; S376-G389 PolarHBondContact OG-O 3.39Å
390R98.9Very high98.8Very high50 Ų5033.3 Ų33.319%0.18917%0.167CC..SBendtrans-151.4136.6172.7-165.5170.8-176.878.11.6111.6N16 E17 D18 Y385 P386 K388 A392 S395N16-R390 WeakPolarHBondContact OD1-CA 3.39Å; N16-R390 WeakPolarHBondContact OD1-CG 3.48Å; E17-R390 IonicContact OE1-NH1 2.84Å; E17-R390 IonicContact OE2-NH1 2.76Å; E17-R390 PolarHBondContact OE2-NH1 2.89Å; D18-R390 VanDerWaalsContact CG-NH2 3.35Å; D18-R390 IonicContact OD1-CZ 3.31Å; D18-R390 IonicContact OD1-NH1 3.54Å; D18-R390 PolarHBondContact OD1-NH1 3.1Å; D18-R390 IonicContact OD1-NH2 3.86Å; D18-R390 PolarHBondContact OD1-NH2 3.09Å; D18-R390 VanDerWaalsContact OD1-NH2 3.16Å; D18-R390 IonicContact OD2-CZ 2.73Å; D18-R390 IonicContact OD2-NH1 2.65Å; D18-R390 IonicContact OD2-NH2 2.81Å; D18-R390 PolarHBondContact OD2-NH2 2.84Å; Y385-R390 HydrophobicContact CE2-CB 4.06Å; Y385-R390 WeakPolarHBondContact OH-CD 3.46Å; P386-R390 HydrophobicContact CB-CB 4.27Å; K388-R390 VanDerWaalsContact C-N 3.3Å; R390-A392 HydrophobicContact CG-CB 4.02Å; R390-A392 PolarHBondContact O-N 2.71Å; R390-S395 WeakPolarHBondContact O-CB 3.43Å; R390-S395 PolarHBondContact O-OG 2.95Å
391I98.9Very high98.8Very high4 Ų431.6 Ų31.62%0.02116%0.159CC..  trans-85.592.7167.2-55.2-54.1000107.8V14 N16 V25 I32 V35 P57 V399V14-I391 HydrophobicContact CG1-CB 3.66Å; V14-I391 HydrophobicContact CG1-CG1 4.26Å; V14-I391 HydrophobicContact CG1-CG2 3.62Å; V14-I391 HydrophobicContact CG2-CG2 4.18Å; N16-I391 PolarHBondContact ND2-O 3.41Å; N16-I391 PolarHBondContact OD1-N 2.85Å; V25-I391 HydrophobicContact CG1-CG2 4.21Å; V25-I391 HydrophobicContact CG2-CG2 3.7Å; I32-I391 HydrophobicContact CD1-CB 4.49Å; I32-I391 HydrophobicContact CD1-CD1 4.02Å; I32-I391 HydrophobicContact CD1-CG2 4.18Å; V35-I391 HydrophobicContact CG2-CG2 4.18Å; P57-I391 HydrophobicContact CB-CD1 4.46Å; P57-I391 HydrophobicContact CG-CD1 4.26Å; P57-I391 HydrophobicContact CG-CG1 4.05Å; I391-V399 HydrophobicContact CD1-CB 4.27Å; I391-V399 HydrophobicContact CD1-CG1 3.92Å; I391-V399 HydrophobicContact CD1-CG2 3.68Å
392A98.8Very high98.8Very high27 Ų2731.6 Ų31.622%0.22316%0.159CC..SBendtrans-152.3153.6178.100000110.8I32 R390 N394 S395I32-A392 WeakPolarHBondContact CB-O 3.43Å; R390-A392 HydrophobicContact CG-CB 4.02Å; R390-A392 PolarHBondContact O-N 2.71Å; A392-N394 PolarHBondContact O-N 3.09Å; A392-S395 WeakPolarHBondContact O-CB 3.46Å; A392-S395 PolarHBondContact O-N 3.44Å; A392-S395 PolarHBondContact O-OG 3.15Å
393K98.6Very high98.8Very high138 Ų13832.1 Ų32.160%0.616%0.162SC*.THydrogen-bonded Turntrans-48.3137173.1178169.8-175.1172.20111.4I32 V33 S395I32-K393 CarbonylContact O-C 3.57Å; I32-K393 WeakPolarHBondContact O-CA 3.49Å; V33-K393 VanDerWaalsContact O-CD 3.29Å; V33-K393 WeakPolarHBondContact O-CD 3.31Å; V33-K393 WeakPolarHBondContact O-CE 3.26Å; V33-K393 VanDerWaalsContact O-CG 3.31Å; V33-K393 WeakPolarHBondContact O-CG 3.31Å; K393-S395 PolarHBondContact O-N 2.75Å
394N98.4Very high98.8Very high117 Ų11730.8 Ų30.863%0.62616%0.156SC*.THydrogen-bonded Turntrans74-7.5-176.3-50.5-40.2000116.4K31 I32 A392K31-N394 PolarHBondContact NZ-O 2.9Å; I32-N394 PolarHBondContact O-N 3.44Å; A392-N394 PolarHBondContact O-N 3.09Å
395S98.9Very high98.7Very high4 Ų436.2 Ų36.23%0.02819%0.186CC..SBendtrans-69.1156.2172.1-42.30000110.2K31 I32 P386 R390 A392 K393K31-S395 WeakPolarHBondContact CA-O 3.39Å; K31-S395 WeakPolarHBondContact CD-O 3.16Å; I32-S395 PolarHBondContact N-O 2.95Å; P386-S395 WeakPolarHBondContact O-CB 3.25Å; P386-S395 PolarHBondContact O-OG 3.19Å; P386-S395 VanDerWaalsContact O-OG 3.09Å; R390-S395 WeakPolarHBondContact O-CB 3.43Å; R390-S395 PolarHBondContact O-OG 2.95Å; A392-S395 WeakPolarHBondContact O-CB 3.46Å; A392-S395 PolarHBondContact O-N 3.44Å; A392-S395 PolarHBondContact O-OG 3.15Å; K393-S395 PolarHBondContact O-N 2.75Å
396D98.9Very high98.7Very high16 Ų1636.8 Ų36.89%0.08619%0.193CC..BIsolated β-bridgetrans-59.1140.1171-70-11.1000109.7K31 Q387 K388 D398K31-D396 WeakPolarHBondContact CE-OD1 3.18Å; K31-D396 IonicContact NZ-OD1 2.87Å; K31-D396 PolarHBondContact NZ-OD1 2.78Å; Q387-D396 WeakPolarHBondContact CG-OD2 3.45Å; Q387-D396 PolarHBondContact NE2-OD2 3.36Å; Q387-D396 WeakPolarHBondContact O-CB 3.45Å; Q387-D396 PolarHBondContact O-N 3.12Å; K388-D396 HydrophobicContact CG-CB 4.27Å; K388-D396 IonicContact NZ-OD2 3.98Å; K388-D396 PolarHBondContact NZ-OD2 3.34Å; D396-D398 PolarHBondContact O-N 3.21Å
397A98.8Very high98.6Very high0 Ų037.2 Ų37.20%020%0.195CC..  trans-80.264175.700000111.1I27 G30 I32 R439 G440I27-A397 HydrophobicContact CB-CB 4.23Å; I27-A397 HydrophobicContact CD1-CB 3.99Å; I27-A397 HydrophobicContact CG1-CB 3.84Å; I27-A397 HydrophobicContact CG2-CB 3.41Å; I27-A397 VanDerWaalsContact CG2-CB 3.41Å; G30-A397 WeakPolarHBondContact O-CB 3.5Å; G30-A397 PolarHBondContact O-N 3.02Å; I32-A397 HydrophobicContact CG1-CB 4.34Å; A397-R439 PolarHBondContact O-N 3.27Å; A397-G440 PolarHBondContact O-N 3.45Å
398D98.9Very high98.6Very high8 Ų835.8 Ų35.84%0.04319%0.186CC..  trans-107.694.8170.3-75.3-11000108.1G58 T92 K388 D396 I437 S438 R439G58-D398 PolarHBondContact N-O 3.32Å; T92-D398 HydrophobicContact CG2-CB 4.39Å; K388-D398 IonicContact NZ-OD2 3Å; K388-D398 PolarHBondContact NZ-OD2 3.37Å; D396-D398 PolarHBondContact O-N 3.21Å; D398-I437 CarbonylContact C-O 3.52Å; D398-I437 WeakPolarHBondContact CA-O 3.39Å; D398-S438 WeakPolarHBondContact OD1-CA 3.28Å; D398-S438 PolarHBondContact OD1-OG 2.69Å; D398-R439 PolarHBondContact OD1-N 2.96Å
399V98.9Very high98.6Very high0 Ų042 Ų420%021%0.209CC..EExtended strand (participates in β ladder)trans-135.6141.5-163.8-174.80000109.5I9 I27 I32 V55 I391 I437I9-V399 HydrophobicContact CD1-CB 4.27Å; I9-V399 HydrophobicContact CD1-CG1 3.59Å; I27-V399 HydrophobicContact CD1-CG2 4.2Å; I32-V399 HydrophobicContact CD1-CG2 4.1Å; V55-V399 HydrophobicContact CG1-CG1 3.49Å; V55-V399 VanDerWaalsContact CG1-CG1 3.49Å; I391-V399 HydrophobicContact CD1-CB 4.27Å; I391-V399 HydrophobicContact CD1-CG1 3.92Å; I391-V399 HydrophobicContact CD1-CG2 3.68Å; V399-I437 HydrophobicContact CB-CB 4.37Å; V399-I437 HydrophobicContact CB-CD1 4.49Å; V399-I437 PolarHBondContact N-O 3.17Å; V399-I437 WeakPolarHBondContact O-CB 3.37Å; V399-I437 PolarHBondContact O-N 2.87Å
400V98.9Very high98.6Very high0 Ų041.8 Ų41.80%021%0.207CC..EExtended strand (participates in β ladder)trans-119.1131.7172.8175.20000109.4I56 G90 W402 P433 V435 T436I56-V400 HydrophobicContact CD1-CB 4.27Å; I56-V400 HydrophobicContact CD1-CG1 4.37Å; I56-V400 HydrophobicContact CG1-CB 3.85Å; I56-V400 HydrophobicContact CG1-CG1 4.33Å; I56-V400 PolarHBondContact N-O 3.1Å; I56-V400 PolarHBondContact O-N 2.76Å; G90-V400 WeakPolarHBondContact O-CG2 3.07Å; V400-W402 HydrophobicContact CG1-CB 4.34Å; V400-W402 HydrophobicContact CG1-CE3 4.05Å; V400-P433 HydrophobicContact CG1-CB 3.88Å; V400-V435 WeakPolarHBondContact CA-O 3.46Å; V400-T436 HydrophobicContact CG2-CG2 4.13Å
401V98.9Very high98.6Very high3 Ų339.9 Ų39.92%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-89.4111.7164.6-176.80000107.1I9 I48 A50 K53 L54 I434 V435I9-V401 HydrophobicContact CD1-CG2 4.46Å; I9-V401 HydrophobicContact CG2-CG2 4Å; I48-V401 HydrophobicContact CG2-CG2 4.09Å; A50-V401 HydrophobicContact CB-CG1 3.97Å; K53-V401 HydrophobicContact CB-CG1 3.71Å; K53-V401 HydrophobicContact CG-CG1 3.95Å; L54-V401 WeakPolarHBondContact O-CA 3.2Å; V401-I434 PolarHBondContact O-N 3.49Å; V401-V435 HydrophobicContact CB-CB 4.01Å; V401-V435 HydrophobicContact CB-CG2 4.31Å; V401-V435 HydrophobicContact CG2-CB 4.13Å; V401-V435 PolarHBondContact N-O 3.34Å; V401-V435 PolarHBondContact O-N 2.87Å
402W98.9Very high98.5Very high0 Ų040.9 Ų40.90%021%0.21CC..EExtended strand (participates in β ladder)trans-112128.1-168.9-176.2-94.3000110.7L54 I56 M352 W356 F370 V400 P404 G431 I432 P433L54-W402 HydrophobicContact CB-CB 4.22Å; L54-W402 PolarHBondContact N-O 2.79Å; L54-W402 PolarHBondContact O-N 2.72Å; I56-W402 HydrophobicContact CD1-CB 3.96Å; I56-W402 HydrophobicContact CD1-CD2 4.2Å; I56-W402 HydrophobicContact CD1-CE3 4.22Å; I56-W402 HydrophobicContact CD1-CG 4.14Å; I56-W402 HydrophobicContact CG1-CB 4.22Å; M352-W402 HydrophobicContact CB-CH2 3.7Å; M352-W402 HydrophobicContact CB-CZ3 3.86Å; W356-W402 HydrophobicContact CB-CZ2 3.74Å; W356-W402 AromaticContact CD2-CE2 3.94Å; W356-W402 AromaticContact CD2-CZ2 4Å; W356-W402 HydrophobicContact CD2-CZ2 4Å; W356-W402 AromaticContact CD2-NE1 3.32Å; W356-W402 VanDerWaalsContact CD2-NE1 3.32Å; W356-W402 AromaticContact CE2-NE1 3.63Å; W356-W402 AromaticContact CE3-CE2 3.89Å; W356-W402 HydrophobicContact CE3-CZ2 4.15Å; W356-W402 AromaticContact CE3-NE1 3.3Å; W356-W402 VanDerWaalsContact CE3-NE1 3.3Å; W356-W402 AromaticContact CG-CZ2 3.81Å; W356-W402 HydrophobicContact CG-CZ2 3.81Å; W356-W402 AromaticContact CG-NE1 3.97Å; W356-W402 AromaticContact CH2-NE1 3.97Å; W356-W402 AromaticContact CZ2-NE1 3.97Å; W356-W402 AromaticContact CZ3-NE1 3.63Å; F370-W402 HydrophobicContact CZ-CZ2 4.43Å; V400-W402 HydrophobicContact CG1-CB 4.34Å; V400-W402 HydrophobicContact CG1-CE3 4.05Å; W402-P404 WeakPolarHBondContact O-CD 3.13Å; W402-G431 WeakPolarHBondContact CH2-O 3.42Å; W402-G431 WeakPolarHBondContact CZ2-O 3.38Å; W402-I432 WeakPolarHBondContact CA-O 3.46Å; W402-P433 HydrophobicContact CE3-CB 4.08Å; W402-P433 HydrophobicContact CZ3-CB 4.04Å; W402-P433 VanDerWaalsContact CZ3-CD 3.48Å; W402-P433 HydrophobicContact CZ3-CG 4.16Å
403D98.7Very high98.5Very high11 Ų1149 Ų496%0.05924%0.241CC..EExtended strand (participates in β ladder)trans-97.4109.6172.2-164-38.7000110.2K53 N405 L406 G431 I432 I434K53-D403 HydrophobicContact CD-CB 3.62Å; K53-D403 WeakPolarHBondContact CD-OD2 3.37Å; K53-D403 WeakPolarHBondContact CE-OD2 3.36Å; K53-D403 IonicContact NZ-OD2 3.22Å; K53-D403 PolarHBondContact NZ-OD2 2.82Å; D403-N405 VanDerWaalsContact C-N 3.27Å; D403-N405 PolarHBondContact O-N 2.77Å; D403-N405 WeakPolarHBondContact OD1-CA 3.39Å; D403-N405 WeakPolarHBondContact OD1-CB 3.27Å; D403-N405 PolarHBondContact OD1-N 2.92Å; D403-L406 HydrophobicContact CB-CB 4.11Å; D403-L406 HydrophobicContact CB-CD1 3.96Å; D403-L406 HydrophobicContact CB-CG 4.08Å; D403-L406 PolarHBondContact OD1-N 3.45Å; D403-L406 VanDerWaalsContact OD1-N 3.09Å; D403-L406 WeakPolarHBondContact OD2-CD1 3.3Å; D403-L406 WeakPolarHBondContact OD2-CG 3.35Å; D403-G431 CarbonylContact O-C 3.57Å; D403-G431 WeakPolarHBondContact O-CA 3.41Å; D403-I432 PolarHBondContact N-O 3.09Å; D403-I432 PolarHBondContact O-N 3.2Å; D403-I434 HydrophobicContact CB-CD1 3.6Å; D403-I434 HydrophobicContact CB-CG1 3.65Å
404P98.3Very high98.5Very high26 Ų2646.6 Ų46.617%0.16924%0.237CC..EExtended strand (participates in β ladder)trans-75.4-15-179.633-36.6000113.6L54 W356 W402L54-P404 HydrophobicContact CD1-CB 4.36Å; L54-P404 HydrophobicContact CD1-CG 4.43Å; L54-P404 HydrophobicContact CG-CG 4.25Å; W356-P404 HydrophobicContact CH2-CB 4.01Å; W356-P404 HydrophobicContact CZ2-CB 3.31Å; W402-P404 WeakPolarHBondContact O-CD 3.13Å
405N96.9Very high98.5Very high122 Ų12242.1 Ų42.165%0.65221%0.213SC*.EExtended strand (participates in β ladder)trans-100.9-25.5-173.3-61.7-46.9000112.8D403D403-N405 VanDerWaalsContact C-N 3.27Å; D403-N405 PolarHBondContact O-N 2.77Å; D403-N405 WeakPolarHBondContact OD1-CA 3.39Å; D403-N405 WeakPolarHBondContact OD1-CB 3.27Å; D403-N405 PolarHBondContact OD1-N 2.92Å
406L97.7Very high98.5Very high87 Ų8744.4 Ų44.446%0.45522%0.223SC..EExtended strand (participates in β ladder)trans-70.3148.5172.7-71.4178000110.9D403 H430 G431 I432 I434D403-L406 HydrophobicContact CB-CB 4.11Å; D403-L406 HydrophobicContact CB-CD1 3.96Å; D403-L406 HydrophobicContact CB-CG 4.08Å; D403-L406 PolarHBondContact OD1-N 3.45Å; D403-L406 VanDerWaalsContact OD1-N 3.09Å; D403-L406 WeakPolarHBondContact OD2-CD1 3.3Å; D403-L406 WeakPolarHBondContact OD2-CG 3.35Å; L406-H430 WeakPolarHBondContact O-CA 3.44Å; L406-G431 PolarHBondContact O-N 3.37Å; L406-G431 VanDerWaalsContact O-N 3.1Å; L406-I432 HydrophobicContact CB-CB 4.41Å; L406-I432 HydrophobicContact CB-CG1 3.82Å; L406-I432 WeakPolarHBondContact O-CG1 3.31Å; L406-I434 HydrophobicContact CD1-CD1 3.72Å
407T98.1Very high98.5Very high77 Ų7744.2 Ų44.247%0.47222%0.222SC..EExtended strand (participates in β ladder)trans-116.4152.8174.757.30000111.5C429 H430T407-C429 CarbonylContact C-O 3.54Å; T407-C429 WeakPolarHBondContact CA-O 3.36Å; T407-H430 WeakPolarHBondContact CG2-CD2 3.38Å; T407-H430 WeakPolarHBondContact CG2-NE2 3.22Å
408R98Very high98.5Very high50 Ų5046.4 Ų46.419%0.18924%0.239CC..EExtended strand (participates in β ladder)trans-135.7147.3164.972.9-175.7177.197.54.4110.2D350 S353 C429 I432D350-R408 IonicContact OD1-CZ 2.79Å; D350-R408 VanDerWaalsContact OD1-CZ 3.28Å; D350-R408 IonicContact OD1-NH1 3.6Å; D350-R408 PolarHBondContact OD1-NH1 3.46Å; D350-R408 IonicContact OD1-NH2 3.56Å; D350-R408 PolarHBondContact OD1-NH2 3.26Å; S353-R408 PolarHBondContact OG-NE 2.99Å; S353-R408 PolarHBondContact OG-NH2 2.91Å; R408-C429 PolarHBondContact N-O 3.09Å; R408-C429 PolarHBondContact O-N 3.3Å; R408-I432 HydrophobicContact CB-CD1 3.56Å; R408-I432 HydrophobicContact CG-CD1 3.33Å
409R98.7Very high98.5Very high137 Ų13746.1 Ų46.152%0.51724%0.238SC..EExtended strand (participates in β ladder)trans-86.1119.5164.4-164.7173-176.4-94.8-2.4109.7E425 M427 E428R409-E425 IonicContact NH1-OE1 3.81Å; R409-M427 CarbonylContact C-O 3.59Å; R409-M427 WeakPolarHBondContact CA-O 3.35Å; R409-E428 WeakPolarHBondContact CB-OE1 3.37Å; R409-E428 WeakPolarHBondContact CD-OE1 3.45Å; R409-E428 WeakPolarHBondContact CG-OE1 3.41Å; R409-E428 PolarHBondContact N-OE2 2.88Å; R409-E428 IonicContact NE-OE1 2.68Å
410I98.9Very high98.5Very high0 Ų050.5 Ų50.50%026%0.262CS..  trans-67.9132.2172.4-56.8178.9000108.7D350 V354 N422 F424 G426 M427D350-I410 HydrophobicContact CB-CD1 4.04Å; D350-I410 WeakPolarHBondContact OD1-CG2 3.32Å; V354-I410 HydrophobicContact CG2-CD1 3.72Å; I410-N422 WeakPolarHBondContact CG2-ND2 3.34Å; I410-F424 HydrophobicContact CB-CB 4.34Å; I410-F424 HydrophobicContact CD1-CB 3.79Å; I410-F424 HydrophobicContact CD1-CG 4.43Å; I410-F424 HydrophobicContact CG2-CB 4.01Å; I410-G426 PolarHBondContact O-N 2.92Å; I410-M427 HydrophobicContact CD1-CB 4.29Å; I410-M427 HydrophobicContact CD1-SD 4.48Å; I410-M427 PolarHBondContact N-O 3.33Å
411S98.8Very high98.5Very high11 Ų1152 Ų528%0.07727%0.267CS..  trans-157.6140.8178124.80000111.3K413 T414 H415 E425S411-K413 PolarHBondContact O-N 2.77Å; S411-K413 VanDerWaalsContact O-N 3.15Å; S411-K413 WeakPolarHBondContact OG-CB 3.17Å; S411-K413 PolarHBondContact OG-N 3.41Å; S411-T414 WeakPolarHBondContact CB-OG1 3.27Å; S411-T414 PolarHBondContact O-N 2.85Å; S411-T414 PolarHBondContact O-OG1 3.29Å; S411-T414 PolarHBondContact OG-OG1 3.32Å; S411-T414 VanDerWaalsContact OG-OG1 3.12Å; S411-H415 PolarHBondContact O-N 3.02Å; S411-E425 VanDerWaalsContact CA-OE2 3.31Å; S411-E425 WeakPolarHBondContact CA-OE2 3.44Å; S411-E425 VanDerWaalsContact CB-OE1 3.31Å; S411-E425 WeakPolarHBondContact CB-OE1 3.48Å
412A98.6Very high98.5Very high25 Ų2552.1 Ų52.121%0.20727%0.268CS..THydrogen-bonded Turntrans-61.9-18.9174.400000112.9T414 H415 N422 E425A412-T414 PolarHBondContact O-N 3.47Å; A412-H415 PolarHBondContact O-CD2 2.93Å; A412-H415 PolarHBondContact O-NE2 2.51Å; A412-H415 VanDerWaalsContact O-NE2 3.13Å; A412-N422 HydrophobicContact CB-CB 4.23Å; A412-E425 PolarHBondContact N-OE2 3.37Å
413K98.6Very high98.5Very high198 Ų19852.4 Ų52.486%0.86127%0.269SS*.THydrogen-bonded Turntrans-75.4-14175.5-58.7-179.4179.8177.20113.5S411S411-K413 PolarHBondContact O-N 2.77Å; S411-K413 VanDerWaalsContact O-N 3.15Å; S411-K413 WeakPolarHBondContact OG-CB 3.17Å; S411-K413 PolarHBondContact OG-N 3.41Å
414T98.6Very high98.5Very high86 Ų8652 Ų5253%0.52827%0.267SS..THydrogen-bonded Turntrans-131.8-12.3-168.447.50000113.7S411 A412S411-T414 WeakPolarHBondContact CB-OG1 3.27Å; S411-T414 PolarHBondContact O-N 2.85Å; S411-T414 PolarHBondContact O-OG1 3.29Å; S411-T414 PolarHBondContact OG-OG1 3.32Å; S411-T414 VanDerWaalsContact OG-OG1 3.12Å; A412-T414 PolarHBondContact O-N 3.47Å
415H98.6Very high98.5Very high24 Ų2455.2 Ų55.211%0.11128%0.28CS..  trans-71171172.476.9163.3000111.2E349 S411 A412 V419E349-H415 WeakPolarHBondContact OE1-CA 3.22Å; E349-H415 WeakPolarHBondContact OE2-CB 3.38Å; S411-H415 PolarHBondContact O-N 3.02Å; A412-H415 PolarHBondContact O-CD2 2.93Å; A412-H415 PolarHBondContact O-NE2 2.51Å; A412-H415 VanDerWaalsContact O-NE2 3.13Å; H415-V419 PolarHBondContact CE1-O 2.88Å; H415-V419 PolarHBondContact NE2-O 3.2Å; H415-V419 VanDerWaalsContact NE2-O 3.07Å
416H98.8Very high98.6Very high52 Ų5250.6 Ų50.624%0.24126%0.261CS..  trans-1143.7-176.1-54.793.6000113I81 A85 A88 E349 F449I81-H416 WeakPolarHBondContact CG2-O 3.43Å; A85-H416 HydrophobicContact CB-CB 4.28Å; A88-H416 HydrophobicContact CB-CB 4.48Å; A88-H416 WeakPolarHBondContact CB-ND1 3.47Å; E349-H416 IonicContact OE1-CE1 2.76Å; E349-H416 IonicContact OE1-CG 2.79Å; E349-H416 PolarHBondContact OE1-N 2.96Å; E349-H416 IonicContact OE1-ND1 3.97Å; E349-H416 PolarHBondContact OE1-ND1 3.44Å; E349-H416 PolarHBondContact OE2-N 2.88Å; E349-H416 IonicContact OE2-ND1 3.16Å; H416-F449 HydrophobicContact CB-CE2 4.43Å; H416-F449 HydrophobicContact CB-CZ 4.04Å; H416-F449 AromaticContact CD2-CE2 3.41Å; H416-F449 VanDerWaalsContact CD2-CE2 3.41Å; H416-F449 WeakPolarHBondContact CD2-CE2 3.31Å; H416-F449 AromaticContact CD2-CZ 3.64Å; H416-F449 AromaticContact CG-CE2 3.99Å; H416-F449 AromaticContact CG-CZ 3.76Å; H416-F449 AromaticContact NE2-CE2 3.95Å
417Q98.8Very high98.7Very high12 Ų1247.6 Ų47.66%0.05625%0.245CC..SBendtrans-73.5156.8171.9-65.9166.894.700110.4D77 A85 N323 V348 E349 V419D77-Q417 WeakPolarHBondContact OD1-CA 3.3Å; A85-Q417 HydrophobicContact CB-CB 4.49Å; A85-Q417 HydrophobicContact CB-CG 3.56Å; N323-Q417 PolarHBondContact OD1-OE1 2.76Å; N323-Q417 VanDerWaalsContact OD1-OE1 3.07Å; V348-Q417 HydrophobicContact CG1-CG 4.19Å; E349-Q417 HydrophobicContact CB-CG 4.29Å; E349-Q417 PolarHBondContact OE2-N 2.69Å; Q417-V419 VanDerWaalsContact C-N 3.35Å; Q417-V419 HydrophobicContact CB-CG1 4.12Å
418A98.8Very high98.7Very high45 Ų4548.6 Ų48.637%0.37224%0.244SC..SBendtrans-77.4-20.4-179.300000113.6V76 D77 I81V76-A418 HydrophobicContact CB-CB 4.12Å; V76-A418 HydrophobicContact CG2-CB 4.13Å; V76-A418 WeakPolarHBondContact O-CB 3.42Å; D77-A418 PolarHBondContact OD1-N 2.98Å; I81-A418 HydrophobicContact CD1-CB 4.1Å; I81-A418 HydrophobicContact CG2-CB 4.01Å
419V98.6Very high98.7Very high3 Ų346.2 Ų46.22%0.01824%0.235CC..SBendtrans-71145.3-176.965.10000112V76 T325 N346 H415 Q417 Y421V76-V419 HydrophobicContact CG2-CB 3.87Å; V76-V419 HydrophobicContact CG2-CG2 4.42Å; T325-V419 HydrophobicContact CG2-CB 4.12Å; T325-V419 HydrophobicContact CG2-CG1 3.87Å; N346-V419 HydrophobicContact CB-CG1 4.02Å; H415-V419 PolarHBondContact CE1-O 2.88Å; H415-V419 PolarHBondContact NE2-O 3.2Å; H415-V419 VanDerWaalsContact NE2-O 3.07Å; Q417-V419 VanDerWaalsContact C-N 3.35Å; Q417-V419 HydrophobicContact CB-CG1 4.12Å; V419-Y421 VanDerWaalsContact C-N 3.31Å; V419-Y421 WeakPolarHBondContact CG1-O 3.3Å; V419-Y421 HydrophobicContact CG2-CD1 3.66Å; V419-Y421 HydrophobicContact CG2-CE1 3.46Å; V419-Y421 VanDerWaalsContact CG2-CE1 3.46Å; V419-Y421 HydrophobicContact CG2-CG 4.31Å; V419-Y421 PolarHBondContact O-N 2.95Å
420D98.4Very high98.7Very high92 Ų9242 Ų4249%0.49222%0.221SC..SBendtrans-88.310.9-171.455.4-10.9000114.5S327 V328S327-D420 WeakPolarHBondContact CA-OD1 3.41Å; S327-D420 WeakPolarHBondContact CB-OD1 3.26Å; V328-D420 PolarHBondContact N-OD1 3.33Å; V328-D420 PolarHBondContact N-OD2 3.22Å
421Y98.7Very high98.7Very high30 Ų3042 Ų4212%0.11822%0.221CC..  trans-147.4173175.566.8-91.5000111.1G290 F326 V328 K331 V419 I423G290-Y421 VanDerWaalsContact O-CE2 3.26Å; G290-Y421 WeakPolarHBondContact O-CE2 3.48Å; G290-Y421 PolarHBondContact O-OH 2.78Å; G290-Y421 VanDerWaalsContact O-OH 3.14Å; F326-Y421 WeakPolarHBondContact O-CE1 3.46Å; F326-Y421 PolarHBondContact O-OH 3.47Å; V328-Y421 HydrophobicContact CG2-CD1 3.8Å; V328-Y421 HydrophobicContact CG2-CE1 4.4Å; K331-Y421 WeakPolarHBondContact CE-OH 3.44Å; V419-Y421 VanDerWaalsContact C-N 3.31Å; V419-Y421 WeakPolarHBondContact CG1-O 3.3Å; V419-Y421 HydrophobicContact CG2-CD1 3.66Å; V419-Y421 HydrophobicContact CG2-CE1 3.46Å; V419-Y421 VanDerWaalsContact CG2-CE1 3.46Å; V419-Y421 HydrophobicContact CG2-CG 4.31Å; V419-Y421 PolarHBondContact O-N 2.95Å; Y421-I423 HydrophobicContact CE2-CG2 4.18Å
422N98.9Very high98.6Very high7 Ų742.7 Ų42.74%0.03722%0.224CC..  trans-141.6129.2174-165.5-45.1000110.6N346 D350 I410 A412 F424 E425N346-N422 PolarHBondContact ND2-ND2 2.63Å; N346-N422 PolarHBondContact ND2-OD1 2.9Å; N346-N422 WeakPolarHBondContact OD1-CA 3.14Å; D350-N422 PolarHBondContact OD2-ND2 2.72Å; I410-N422 WeakPolarHBondContact CG2-ND2 3.34Å; A412-N422 HydrophobicContact CB-CB 4.23Å; N422-F424 PolarHBondContact O-N 3.35Å; N422-F424 WeakPolarHBondContact OD1-CD2 3.31Å; N422-F424 PolarHBondContact OD1-N 3.16Å; N422-E425 VanDerWaalsContact O-CB 3.26Å; N422-E425 WeakPolarHBondContact O-CB 3.35Å; N422-E425 PolarHBondContact O-N 3.08Å; N422-E425 VanDerWaalsContact O-N 3.09Å
423I98.9Very high98.6Very high5 Ų541.9 Ų41.93%0.02622%0.216CC..THydrogen-bonded Turntrans-67.3-14.8179.464.5163.2000113.5A271 T275 F291 V345 N346 Y421A271-I423 HydrophobicContact CB-CD1 3.52Å; T275-I423 HydrophobicContact CG2-CD1 4.25Å; F291-I423 HydrophobicContact CD1-CB 3.96Å; F291-I423 HydrophobicContact CD1-CG2 3.94Å; F291-I423 HydrophobicContact CE1-CB 3.55Å; F291-I423 HydrophobicContact CE1-CG2 3.95Å; F291-I423 WeakPolarHBondContact CE1-O 2.88Å; F291-I423 HydrophobicContact CG-CG2 4.25Å; F291-I423 HydrophobicContact CZ-CB 3.96Å; F291-I423 HydrophobicContact CZ-CG2 4.23Å; F291-I423 WeakPolarHBondContact CZ-O 3.49Å; V345-I423 HydrophobicContact CB-CD1 4.02Å; V345-I423 HydrophobicContact CB-CG2 4.07Å; V345-I423 HydrophobicContact CG1-CD1 4.49Å; V345-I423 HydrophobicContact CG1-CG2 4.02Å; V345-I423 HydrophobicContact CG2-CD1 3.99Å; N346-I423 WeakPolarHBondContact OD1-CG1 3.17Å; N346-I423 PolarHBondContact OD1-N 2.98Å; Y421-I423 HydrophobicContact CE2-CG2 4.18Å
424F98.9Very high98.6Very high4 Ų434.7 Ų34.72%0.01819%0.187CC..THydrogen-bonded Turntrans-104.318.8175-46.3-65.3000112.4A270 T275 D350 V354 I410 N422 G426 M427A270-F424 HydrophobicContact CB-CE2 4.47Å; A270-F424 HydrophobicContact CB-CZ 4.01Å; A270-F424 WeakPolarHBondContact O-CZ 3.34Å; T275-F424 HydrophobicContact CG2-CE1 4.29Å; D350-F424 HydrophobicContact CB-CD2 3.77Å; D350-F424 HydrophobicContact CB-CE2 4.06Å; V354-F424 HydrophobicContact CG1-CE1 4.32Å; V354-F424 HydrophobicContact CG2-CD1 4.16Å; V354-F424 HydrophobicContact CG2-CD2 4.07Å; V354-F424 HydrophobicContact CG2-CE1 4.35Å; V354-F424 HydrophobicContact CG2-CE2 4.25Å; V354-F424 HydrophobicContact CG2-CG 4.01Å; V354-F424 HydrophobicContact CG2-CZ 4.39Å; I410-F424 HydrophobicContact CB-CB 4.34Å; I410-F424 HydrophobicContact CD1-CB 3.79Å; I410-F424 HydrophobicContact CD1-CG 4.43Å; I410-F424 HydrophobicContact CG2-CB 4.01Å; N422-F424 PolarHBondContact O-N 3.35Å; N422-F424 WeakPolarHBondContact OD1-CD2 3.31Å; N422-F424 PolarHBondContact OD1-N 3.16Å; F424-G426 PolarHBondContact O-N 3.02Å; F424-M427 HydrophobicContact CB-CB 4.37Å; F424-M427 HydrophobicContact CB-CE 4.12Å; F424-M427 HydrophobicContact CD1-CE 3.79Å; F424-M427 HydrophobicContact CG-CE 4.36Å; F424-M427 VanDerWaalsContact O-CB 3.25Å; F424-M427 WeakPolarHBondContact O-CB 3.33Å; F424-M427 PolarHBondContact O-N 3.39Å
425E98.8Very high98.6Very high93 Ų9331 Ų3144%0.43516%0.164SC..THydrogen-bonded Turntrans-48.9123.6-177.9-17861.9-127.100112R409 S411 A412 N422 M427R409-E425 IonicContact NH1-OE1 3.81Å; S411-E425 VanDerWaalsContact CA-OE2 3.31Å; S411-E425 WeakPolarHBondContact CA-OE2 3.44Å; S411-E425 VanDerWaalsContact CB-OE1 3.31Å; S411-E425 WeakPolarHBondContact CB-OE1 3.48Å; A412-E425 PolarHBondContact N-OE2 3.37Å; N422-E425 VanDerWaalsContact O-CB 3.26Å; N422-E425 WeakPolarHBondContact O-CB 3.35Å; N422-E425 PolarHBondContact O-N 3.08Å; N422-E425 VanDerWaalsContact O-N 3.09Å; E425-M427 VanDerWaalsContact C-N 3.33Å; E425-M427 PolarHBondContact O-N 3.27Å
426G98.7Very high98.6Very high24 Ų2429.8 Ų29.825%0.24716%0.159CC..THydrogen-bonded Turntrans81.2-017900000116.2I410 F424 E428I410-G426 PolarHBondContact O-N 2.92Å; F424-G426 PolarHBondContact O-N 3.02Å; G426-E428 PolarHBondContact O-N 3.35Å
427M98.8Very high98.6Very high24 Ų2427.3 Ų27.312%0.11815%0.147CC..  trans-66.6124.5173.9-171.6-179.2-59.100110.4G274 V354 R409 I410 F424 E425 C429G274-M427 WeakPolarHBondContact O-CE 3.45Å; V354-M427 HydrophobicContact CG2-SD 4.11Å; R409-M427 CarbonylContact C-O 3.59Å; R409-M427 WeakPolarHBondContact CA-O 3.35Å; I410-M427 HydrophobicContact CD1-CB 4.29Å; I410-M427 HydrophobicContact CD1-SD 4.48Å; I410-M427 PolarHBondContact N-O 3.33Å; F424-M427 HydrophobicContact CB-CB 4.37Å; F424-M427 HydrophobicContact CB-CE 4.12Å; F424-M427 HydrophobicContact CD1-CE 3.79Å; F424-M427 HydrophobicContact CG-CE 4.36Å; F424-M427 VanDerWaalsContact O-CB 3.25Å; F424-M427 WeakPolarHBondContact O-CB 3.33Å; F424-M427 PolarHBondContact O-N 3.39Å; E425-M427 VanDerWaalsContact C-N 3.33Å; E425-M427 PolarHBondContact O-N 3.27Å; M427-C429 VanDerWaalsContact SD-SG 3.64Å
428E98.9Very high98.6Very high98 Ų9826.8 Ų26.846%0.45815%0.145SC..EExtended strand (participates in β ladder)trans-83.3124.5167.7-63.6-63.2155.800108.5R409 G426R409-E428 WeakPolarHBondContact CB-OE1 3.37Å; R409-E428 WeakPolarHBondContact CD-OE1 3.45Å; R409-E428 WeakPolarHBondContact CG-OE1 3.41Å; R409-E428 PolarHBondContact N-OE2 2.88Å; R409-E428 IonicContact NE-OE1 2.68Å; G426-E428 PolarHBondContact O-N 3.35Å
429C98.8Very high98.6Very high0 Ų029.1 Ų29.10%014%0.144CC..EExtended strand (participates in β ladder)trans-123.3130177.4-62.20000110.7E357 T407 R408 M427E357-C429 HydrophobicContact CB-CB 3.88Å; E357-C429 HydrophobicContact CG-CB 4.33Å; T407-C429 CarbonylContact C-O 3.54Å; T407-C429 WeakPolarHBondContact CA-O 3.36Å; R408-C429 PolarHBondContact N-O 3.09Å; R408-C429 PolarHBondContact O-N 3.3Å; M427-C429 VanDerWaalsContact SD-SG 3.64Å
430H98.8Very high98.6Very high50 Ų5029 Ų2923%0.23114%0.143CC..EExtended strand (participates in β ladder)trans-68.7159.2157.1-62.281000110.2E357 H361 L406 T407E357-H430 IonicContact OE2-CE1 3.89Å; E357-H430 IonicContact OE2-CG 2.85Å; E357-H430 PolarHBondContact OE2-N 3.03Å; E357-H430 IonicContact OE2-ND1 3.98Å; E357-H430 PolarHBondContact OE2-ND1 3.45Å; H361-H430 HydrophobicContact CB-CB 4.39Å; H361-H430 AromaticContact CD2-CE1 3.77Å; H361-H430 AromaticContact CD2-ND1 3.45Å; H361-H430 PolarHBondContact CD2-ND1 3.43Å; H361-H430 AromaticContact CE1-CD2 3.96Å; H361-H430 AromaticContact CE1-CE1 3.28Å; H361-H430 PolarHBondContact CE1-CE1 2.91Å; H361-H430 AromaticContact CE1-CG 3.9Å; H361-H430 AromaticContact CE1-ND1 3.49Å; H361-H430 PolarHBondContact CE1-ND1 2.76Å; H361-H430 AromaticContact CE1-NE2 3.59Å; H361-H430 AromaticContact CG-CG 3.94Å; H361-H430 AromaticContact CG-ND1 3.57Å; H361-H430 AromaticContact ND1-CE1 3.84Å; H361-H430 AromaticContact ND1-CG 3.7Å; H361-H430 AromaticContact ND1-ND1 3.59Å; H361-H430 AromaticContact NE2-CE1 3.23Å; H361-H430 PolarHBondContact NE2-CE1 3.37Å; H361-H430 AromaticContact NE2-ND1 3.42Å; H361-H430 PolarHBondContact NE2-ND1 3.1Å; H361-H430 AromaticContact NE2-NE2 3.98Å; L406-H430 WeakPolarHBondContact O-CA 3.44Å; T407-H430 WeakPolarHBondContact CG2-CD2 3.38Å; T407-H430 WeakPolarHBondContact CG2-NE2 3.22Å
431G98.1Very high98.6Very high0 Ų029.2 Ų29.20%014%0.14CC..EExtended strand (participates in β ladder)trans83.4101.3175.600000112S353 W402 D403 L406S353-G431 WeakPolarHBondContact CB-O 3.28Å; S353-G431 PolarHBondContact OG-O 2.95Å; W402-G431 WeakPolarHBondContact CH2-O 3.42Å; W402-G431 WeakPolarHBondContact CZ2-O 3.38Å; D403-G431 CarbonylContact O-C 3.57Å; D403-G431 WeakPolarHBondContact O-CA 3.41Å; L406-G431 PolarHBondContact O-N 3.37Å; L406-G431 VanDerWaalsContact O-N 3.1Å
432I97.7Very high98.5Very high24 Ų2428.3 Ų28.312%0.12314%0.137CC..EExtended strand (participates in β ladder)trans-126133-173.3-46.9-62.8000110.3W402 D403 L406 R408 I434W402-I432 WeakPolarHBondContact CA-O 3.46Å; D403-I432 PolarHBondContact N-O 3.09Å; D403-I432 PolarHBondContact O-N 3.2Å; L406-I432 HydrophobicContact CB-CB 4.41Å; L406-I432 HydrophobicContact CB-CG1 3.82Å; L406-I432 WeakPolarHBondContact O-CG1 3.31Å; R408-I432 HydrophobicContact CB-CD1 3.56Å; R408-I432 HydrophobicContact CG-CD1 3.33Å; I432-I434 HydrophobicContact CB-CD1 4.06Å; I432-I434 HydrophobicContact CG2-CD1 4.09Å; I432-I434 PolarHBondContact O-N 3.28Å
433P98.1Very high98.5Very high8 Ų828 Ų285%0.05214%0.136CC..EExtended strand (participates in β ladder)trans-72.2113.8168.331.2-32.9000109.2A88 V400 W402A88-P433 WeakPolarHBondContact O-CG 3.5Å; V400-P433 HydrophobicContact CG1-CB 3.88Å; W402-P433 HydrophobicContact CE3-CB 4.08Å; W402-P433 HydrophobicContact CZ3-CB 4.04Å; W402-P433 VanDerWaalsContact CZ3-CD 3.48Å; W402-P433 HydrophobicContact CZ3-CG 4.16Å
434I97.6Very high98.5Very high48 Ų4828.8 Ų28.825%0.24614%0.138CC..EExtended strand (participates in β ladder)trans-90.1-39.8179.2-44.4-59.4000110.3V401 D403 L406 I432V401-I434 PolarHBondContact O-N 3.49Å; D403-I434 HydrophobicContact CB-CD1 3.6Å; D403-I434 HydrophobicContact CB-CG1 3.65Å; L406-I434 HydrophobicContact CD1-CD1 3.72Å; I432-I434 HydrophobicContact CB-CD1 4.06Å; I432-I434 HydrophobicContact CG2-CD1 4.09Å; I432-I434 PolarHBondContact O-N 3.28Å
435V98.8Very high98.5Very high7 Ų730.5 Ų30.54%0.04215%0.146CC..EExtended strand (participates in β ladder)trans-135.5129.9174.9-170.20000109.1I48 V400 V401 I437 V442 Y444 E445I48-V435 HydrophobicContact CD1-CG1 4.16Å; I48-V435 HydrophobicContact CG2-CG2 4.14Å; V400-V435 WeakPolarHBondContact CA-O 3.46Å; V401-V435 HydrophobicContact CB-CB 4.01Å; V401-V435 HydrophobicContact CB-CG2 4.31Å; V401-V435 HydrophobicContact CG2-CB 4.13Å; V401-V435 PolarHBondContact N-O 3.34Å; V401-V435 PolarHBondContact O-N 2.87Å; V435-I437 HydrophobicContact CG1-CG1 4.22Å; V435-V442 HydrophobicContact CG1-CG1 3.75Å; V435-V442 HydrophobicContact CG1-CG2 4.26Å; V435-Y444 CarbonylContact C-O 3.49Å; V435-Y444 WeakPolarHBondContact CA-O 3.44Å; V435-E445 HydrophobicContact CG1-CB 4.35Å; V435-E445 HydrophobicContact CG2-CB 4.49Å; V435-E445 HydrophobicContact CG2-CG 4.08Å
436T98.9Very high98.2Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-112.1126169.8-54.50000109.2L87 T92 V400 V443 Y444L87-T436 HydrophobicContact CB-CG2 4.45Å; L87-T436 HydrophobicContact CD2-CG2 3.8Å; L87-T436 WeakPolarHBondContact O-CB 3.42Å; L87-T436 WeakPolarHBondContact O-CG2 3.03Å; L87-T436 PolarHBondContact O-OG1 2.89Å; T92-T436 HydrophobicContact CG2-CG2 3.62Å; V400-T436 HydrophobicContact CG2-CG2 4.13Å; T436-V443 HydrophobicContact CG2-CG2 4.1Å; T436-V443 VanDerWaalsContact O-CG2 3.25Å; T436-V443 WeakPolarHBondContact O-CG2 3.36Å; T436-V443 PolarHBondContact O-N 3.15Å; T436-Y444 PolarHBondContact N-O 2.95Å; T436-Y444 PolarHBondContact O-N 2.98Å
437I98.9Very high97.9Very high0 Ų040.8 Ų40.80%018%0.183CC..EExtended strand (participates in β ladder)trans-111125.9175.6-56.2173.8000107.3I7 I9 I27 I48 D398 V399 V435 K441 V442I7-I437 HydrophobicContact CD1-CD1 4.41Å; I7-I437 HydrophobicContact CD1-CG2 4.29Å; I7-I437 HydrophobicContact CG2-CD1 4.27Å; I9-I437 HydrophobicContact CD1-CD1 3.74Å; I9-I437 HydrophobicContact CG1-CD1 4.18Å; I27-I437 HydrophobicContact CD1-CD1 4.05Å; I27-I437 HydrophobicContact CD1-CG2 4.38Å; I48-I437 HydrophobicContact CD1-CD1 3.81Å; I48-I437 HydrophobicContact CD1-CG1 4.49Å; D398-I437 CarbonylContact C-O 3.52Å; D398-I437 WeakPolarHBondContact CA-O 3.39Å; V399-I437 HydrophobicContact CB-CB 4.37Å; V399-I437 HydrophobicContact CB-CD1 4.49Å; V399-I437 PolarHBondContact N-O 3.17Å; V399-I437 WeakPolarHBondContact O-CB 3.37Å; V399-I437 PolarHBondContact O-N 2.87Å; V435-I437 HydrophobicContact CG1-CG1 4.22Å; I437-K441 CarbonylContact C-O 3.51Å; I437-K441 VanDerWaalsContact CA-O 3.24Å; I437-K441 WeakPolarHBondContact CA-O 3.35Å; I437-K441 WeakPolarHBondContact CG2-O 3.4Å; I437-V442 HydrophobicContact CG1-CG2 4.2Å
438S98.8Very high97.8Very high1 Ų145.3 Ų45.31%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-127.6132.9172.2-179.80000109.8D398 G440 K441D398-S438 WeakPolarHBondContact OD1-CA 3.28Å; D398-S438 PolarHBondContact OD1-OG 2.69Å; S438-G440 PolarHBondContact O-N 3.42Å; S438-K441 PolarHBondContact N-O 2.83Å; S438-K441 PolarHBondContact O-N 3.37Å
439R98.4Very high97.8Very high94 Ų9443.2 Ų43.236%0.35519%0.193SC..THydrogen-bonded Turntrans51.937.1-175.3-49.7-172.865.470.610.1112.3G30 D124 A397 D398 K441G30-R439 WeakPolarHBondContact CA-O 3.45Å; D124-R439 VanDerWaalsContact OD1-CD 3.28Å; D124-R439 WeakPolarHBondContact OD1-CD 3.44Å; D124-R439 IonicContact OD1-CZ 3.8Å; D124-R439 IonicContact OD1-NE 3.04Å; D124-R439 IonicContact OD1-NH1 3.28Å; D124-R439 PolarHBondContact OD1-NH1 2.9Å; D124-R439 IonicContact OD2-NH1 3.92Å; D124-R439 PolarHBondContact OD2-NH1 3.49Å; A397-R439 PolarHBondContact O-N 3.27Å; D398-R439 PolarHBondContact OD1-N 2.96Å; R439-K441 VanDerWaalsContact C-N 3.31Å; R439-K441 PolarHBondContact O-N 2.83Å
440G98.1Very high97.7Very high0 Ų047.6 Ų47.60%021%0.214CC..THydrogen-bonded Turntrans67.822.6-179.600000115.3S5 I7 A397 S438S5-G440 WeakPolarHBondContact CB-O 3.17Å; S5-G440 PolarHBondContact OG-O 3.12Å; I7-G440 WeakPolarHBondContact CD1-O 3.38Å; A397-G440 PolarHBondContact O-N 3.45Å; S438-G440 PolarHBondContact O-N 3.42Å
441K98.3Very high97.6Very high96 Ų9646.2 Ų46.242%0.41721%0.209SC..EExtended strand (participates in β ladder)trans-120.4138172.8-64.2179.6177.7-175.60109.6I437 S438 R439 V443I437-K441 CarbonylContact C-O 3.51Å; I437-K441 VanDerWaalsContact CA-O 3.24Å; I437-K441 WeakPolarHBondContact CA-O 3.35Å; I437-K441 WeakPolarHBondContact CG2-O 3.4Å; S438-K441 PolarHBondContact N-O 2.83Å; S438-K441 PolarHBondContact O-N 3.37Å; R439-K441 VanDerWaalsContact C-N 3.31Å; R439-K441 PolarHBondContact O-N 2.83Å; K441-V443 HydrophobicContact CB-CG1 4.44Å; K441-V443 PolarHBondContact O-N 3.46Å
442V98.4Very high97.6Very high12 Ų1249.8 Ų49.87%0.07323%0.234CC..EExtended strand (participates in β ladder)trans-68114.5169.2179.60000107.8I7 I48 V435 I437 E445I7-V442 HydrophobicContact CD1-CG2 3.9Å; I48-V442 HydrophobicContact CD1-CG2 3.79Å; V435-V442 HydrophobicContact CG1-CG1 3.75Å; V435-V442 HydrophobicContact CG1-CG2 4.26Å; I437-V442 HydrophobicContact CG1-CG2 4.2Å; V442-E445 HydrophobicContact CG1-CB 3.76Å
443V98.6Very high97.7Very high0 Ų051.8 Ų51.80%025%0.249CC..EExtended strand (participates in β ladder)trans-110.2-18.8-176.2-70.50000112.6L87 T436 K441 F449 H450 V451L87-V443 HydrophobicContact CB-CG2 4.44Å; L87-V443 HydrophobicContact CD1-CB 4.18Å; L87-V443 HydrophobicContact CD1-CG2 3.9Å; L87-V443 HydrophobicContact CD2-CG2 3.7Å; L87-V443 HydrophobicContact CG-CG2 4.23Å; T436-V443 HydrophobicContact CG2-CG2 4.1Å; T436-V443 VanDerWaalsContact O-CG2 3.25Å; T436-V443 WeakPolarHBondContact O-CG2 3.36Å; T436-V443 PolarHBondContact O-N 3.15Å; K441-V443 HydrophobicContact CB-CG1 4.44Å; K441-V443 PolarHBondContact O-N 3.46Å; V443-F449 WeakPolarHBondContact O-CA 3.47Å; V443-H450 PolarHBondContact O-N 3.44Å; V443-V451 HydrophobicContact CB-CB 4.01Å; V443-V451 HydrophobicContact CB-CG2 4.42Å; V443-V451 HydrophobicContact CG1-CB 3.95Å; V443-V451 HydrophobicContact CG1-CG2 3.99Å
444Y98.6Very high97.6Very high21 Ų2152.2 Ų52.28%0.08225%0.254CS..EExtended strand (participates in β ladder)trans-145.7126.2172.9-177.6-104.1000109.6A88 V435 T436 Q448 F449A88-Y444 HydrophobicContact CB-CD2 4.11Å; A88-Y444 HydrophobicContact CB-CE1 4.36Å; A88-Y444 HydrophobicContact CB-CE2 3.82Å; A88-Y444 HydrophobicContact CB-CG 4.49Å; V435-Y444 CarbonylContact C-O 3.49Å; V435-Y444 WeakPolarHBondContact CA-O 3.44Å; T436-Y444 PolarHBondContact N-O 2.95Å; T436-Y444 PolarHBondContact O-N 2.98Å; Y444-Q448 WeakPolarHBondContact CA-O 3.29Å; Y444-Q448 WeakPolarHBondContact CD2-O 3.4Å; Y444-F449 AromaticContact CD2-CD1 3.93Å; Y444-F449 HydrophobicContact CD2-CD1 3.93Å; Y444-F449 AromaticContact CD2-CE1 3.79Å; Y444-F449 HydrophobicContact CD2-CE1 3.79Å; Y444-F449 HydrophobicContact CD2-CG 4.43Å; Y444-F449 HydrophobicContact CD2-CZ 4.19Å; Y444-F449 HydrophobicContact CE2-CE1 4.32Å; Y444-F449 HydrophobicContact CE2-CZ 4.28Å
445E97.7Very high97.7Very high40 Ų4051.9 Ų51.919%0.18725%0.252CS..EExtended strand (participates in β ladder)trans-159.7148.2176178.6-177.3-110.900107.7R46 V435 V442 R447 Q448R46-E445 IonicContact CZ-OE2 2.73Å; R46-E445 IonicContact NH2-OE1 3.51Å; R46-E445 PolarHBondContact NH2-OE1 3.43Å; R46-E445 IonicContact NH2-OE2 3.52Å; R46-E445 PolarHBondContact NH2-OE2 3.13Å; V435-E445 HydrophobicContact CG1-CB 4.35Å; V435-E445 HydrophobicContact CG2-CB 4.49Å; V435-E445 HydrophobicContact CG2-CG 4.08Å; V442-E445 HydrophobicContact CG1-CB 3.76Å; E445-R447 PolarHBondContact O-N 3Å; E445-Q448 PolarHBondContact N-O 3.3Å; E445-Q448 PolarHBondContact O-N 3.39Å
446D92.5Very high97.7Very high125 Ų12551.6 Ų51.667%0.66825%0.25SS*.THydrogen-bonded Turntrans51.333.4178.4-64.9-28.4000114Q448D446-Q448 PolarHBondContact O-N 3.35Å
447R92.9Very high97.6Very high208 Ų20856.4 Ų56.479%0.78527%0.271SS*.THydrogen-bonded Turntrans60.824-175.9-50.6-179.9-179.6-162-1.4114.2E445E445-R447 PolarHBondContact O-N 3Å
448Q97Very high97.6Very high120 Ų12057.9 Ų57.956%0.56128%0.278SS*.EExtended strand (participates in β ladder)trans-117.8145.5177.2-61.5-172.113.400111.1Y444 E445 D446Y444-Q448 WeakPolarHBondContact CA-O 3.29Å; Y444-Q448 WeakPolarHBondContact CD2-O 3.4Å; E445-Q448 PolarHBondContact N-O 3.3Å; E445-Q448 PolarHBondContact O-N 3.39Å; D446-Q448 PolarHBondContact O-N 3.35Å
449F97.9Very high97.6Very high53 Ų5358.4 Ų58.423%0.23228%0.281CS..EExtended strand (participates in β ladder)trans-94.7135175.9-68.4-77.1000111.6K84 A88 H416 V443 Y444 V451K84-F449 HydrophobicContact CB-CD1 4.45Å; K84-F449 HydrophobicContact CB-CE1 3.99Å; K84-F449 HydrophobicContact CB-CZ 4.21Å; K84-F449 VanDerWaalsContact CE-CG 3.47Å; K84-F449 WeakPolarHBondContact O-CE1 3.29Å; A88-F449 HydrophobicContact CB-CE1 3.92Å; A88-F449 HydrophobicContact CB-CZ 3.75Å; H416-F449 HydrophobicContact CB-CE2 4.43Å; H416-F449 HydrophobicContact CB-CZ 4.04Å; H416-F449 AromaticContact CD2-CE2 3.41Å; H416-F449 VanDerWaalsContact CD2-CE2 3.41Å; H416-F449 WeakPolarHBondContact CD2-CE2 3.31Å; H416-F449 AromaticContact CD2-CZ 3.64Å; H416-F449 AromaticContact CG-CE2 3.99Å; H416-F449 AromaticContact CG-CZ 3.76Å; H416-F449 AromaticContact NE2-CE2 3.95Å; V443-F449 WeakPolarHBondContact O-CA 3.47Å; Y444-F449 AromaticContact CD2-CD1 3.93Å; Y444-F449 HydrophobicContact CD2-CD1 3.93Å; Y444-F449 AromaticContact CD2-CE1 3.79Å; Y444-F449 HydrophobicContact CD2-CE1 3.79Å; Y444-F449 HydrophobicContact CD2-CG 4.43Å; Y444-F449 HydrophobicContact CD2-CZ 4.19Å; Y444-F449 HydrophobicContact CE2-CE1 4.32Å; Y444-F449 HydrophobicContact CE2-CZ 4.28Å; F449-V451 HydrophobicContact CB-CG1 4.44Å; F449-V451 HydrophobicContact CD1-CG1 4.37Å
450H97.4Very high97.7Very high93 Ų9359 Ų5943%0.43129%0.287SS..  trans-125.251.6174.1-57.2-60000110.4V443V443-H450 PolarHBondContact O-N 3.44Å
451V97.6Very high97.7Very high20 Ų2059.1 Ų59.112%0.12129%0.288CS..  trans-140.6146.2-174.968.80000111.3K84 L87 C122 V443 F449 Q455K84-V451 HydrophobicContact CG-CG1 4.19Å; L87-V451 HydrophobicContact CD1-CG1 4.2Å; L87-V451 HydrophobicContact CD1-CG2 4.31Å; C122-V451 HydrophobicContact CB-CB 4.44Å; C122-V451 HydrophobicContact CB-CG1 3.95Å; C122-V451 HydrophobicContact CB-CG2 3.6Å; C122-V451 WeakPolarHBondContact O-CG2 3.25Å; V443-V451 HydrophobicContact CB-CB 4.01Å; V443-V451 HydrophobicContact CB-CG2 4.42Å; V443-V451 HydrophobicContact CG1-CB 3.95Å; V443-V451 HydrophobicContact CG1-CG2 3.99Å; F449-V451 HydrophobicContact CB-CG1 4.44Å; F449-V451 HydrophobicContact CD1-CG1 4.37Å; V451-Q455 HydrophobicContact CG2-CB 4.16Å; V451-Q455 HydrophobicContact CG2-CG 4.41Å
452S97.8Very high97.7Very high75 Ų7556 Ų5652%0.52428%0.283SS..  trans-111.9152.5175.6-61.50000111.1Q455S452-Q455 WeakPolarHBondContact O-CB 3.27Å; S452-Q455 PolarHBondContact O-N 2.97Å
453P98.3Very high97.7Very high67 Ų6757.3 Ų57.344%0.43529%0.292SS..THydrogen-bonded Turntrans-59.5141.7171.724.4-33.1000111.4A119 K120 Q455A119-P453 CarbonylContact O-C 3.59Å; K120-P453 VanDerWaalsContact O-CA 3.3Å; K120-P453 WeakPolarHBondContact O-CA 3.2Å; K120-P453 WeakPolarHBondContact O-CB 3.44Å; P453-Q455 VanDerWaalsContact C-N 3.28Å; P453-Q455 PolarHBondContact O-N 2.86Å
454G97.9Very high97.7Very high17 Ų1761.5 Ų61.518%0.17531%0.31CS..THydrogen-bonded Turntrans79.43.7-17800000114.9D118 A119 K120 V121 K457D118-G454 WeakPolarHBondContact O-CA 3.48Å; A119-G454 PolarHBondContact O-N 3.01Å; K120-G454 PolarHBondContact O-N 3.11Å; V121-G454 CarbonylContact O-C 3.53Å; V121-G454 WeakPolarHBondContact O-CA 3.46Å; V121-G454 PolarHBondContact O-N 3.2Å; G454-K457 PolarHBondContact O-NZ 2.83Å
455Q98.1Very high97.7Very high41 Ų4160.7 Ų60.719%0.19231%0.308CS..  trans-69.7-34.9175.2-177.2167.4-43.500112.1V121 V451 S452 P453V121-Q455 PolarHBondContact O-N 3.32Å; V121-Q455 VanDerWaalsContact O-N 3.16Å; V451-Q455 HydrophobicContact CG2-CB 4.16Å; V451-Q455 HydrophobicContact CG2-CG 4.41Å; S452-Q455 WeakPolarHBondContact O-CB 3.27Å; S452-Q455 PolarHBondContact O-N 2.97Å; P453-Q455 VanDerWaalsContact C-N 3.28Å; P453-Q455 PolarHBondContact O-N 2.86Å
456G98.5Very high97.8Very high1 Ų162.7 Ų62.71%0.0132%0.317CS..SBendtrans-62.5161.8171.500000112.8V121 C123V121-G456 PolarHBondContact O-N 3.49Å; C123-G456 VanDerWaalsContact O-CA 3.24Å; C123-G456 WeakPolarHBondContact O-CA 3.41Å
457K98.8Very high98.1Very high101 Ų10161.3 Ų61.344%0.43931%0.305SS..  trans-129.6145.9176-60.2-66.1159.9-134.70111.8D124 Y125 G454 V459D124-K457 WeakPolarHBondContact CA-O 3.25Å; D124-K457 PolarHBondContact OD1-N 2.96Å; Y125-K457 PolarHBondContact N-O 3.14Å; G454-K457 PolarHBondContact O-NZ 2.83Å; K457-V459 PolarHBondContact O-N 3.13Å
458F98.9Very high98.3Very high31 Ų3151.5 Ų51.514%0.13627%0.269CS..BIsolated β-bridgetrans-64126.5166.3178.6-100.3000109.9Y110 Y125 L127 K149 H460Y110-F458 HydrophobicContact CE2-CE2 4.45Å; Y110-F458 HydrophobicContact CE2-CZ 4.28Å; Y110-F458 WeakPolarHBondContact OH-CZ 3.48Å; Y125-F458 HydrophobicContact CD1-CB 4.42Å; Y125-F458 HydrophobicContact CD2-CD2 4.45Å; Y125-F458 HydrophobicContact CE1-CB 3.76Å; Y125-F458 HydrophobicContact CE1-CD2 4.41Å; Y125-F458 AromaticContact CE2-CD2 3.98Å; Y125-F458 HydrophobicContact CE2-CD2 3.98Å; Y125-F458 AromaticContact CZ-CD2 3.95Å; Y125-F458 CarbonylContact O-C 3.05Å; Y125-F458 WeakPolarHBondContact O-CA 3.2Å; L127-F458 HydrophobicContact CB-CE2 4.2Å; L127-F458 HydrophobicContact CD1-CE2 4.22Å; L127-F458 HydrophobicContact CG-CD2 4.48Å; L127-F458 HydrophobicContact CG-CE2 4.03Å; K149-F458 WeakPolarHBondContact O-CE1 3.44Å; K149-F458 WeakPolarHBondContact O-CZ 3.12Å; F458-H460 HydrophobicContact CD1-CB 4.48Å; F458-H460 HydrophobicContact CE1-CB 4.13Å
459V98.9Very high98.4Very high11 Ų1146 Ų467%0.06724%0.243CC..  trans-93.5109.6174.9-178.40000108.2M93 D124 Y125 S126 F384 K457M93-V459 HydrophobicContact CE-CB 3.88Å; M93-V459 HydrophobicContact CE-CG1 4.38Å; M93-V459 HydrophobicContact CE-CG2 3.91Å; M93-V459 HydrophobicContact SD-CG2 4.43Å; D124-V459 HydrophobicContact CB-CG2 4.02Å; Y125-V459 PolarHBondContact O-N 3.05Å; S126-V459 PolarHBondContact OG-O 3.49Å; F384-V459 HydrophobicContact CB-CG1 4.43Å; K457-V459 PolarHBondContact O-N 3.13Å
460H98.7Very high98.5Very high108 Ų10849.6 Ų49.650%0.526%0.258SS..  trans-75.2129.3173.9-167.9-68.8000109.7E148 G150 F458E148-H460 PolarHBondContact O-NE2 3.26Å; G150-H460 WeakPolarHBondContact CA-CE1 3.37Å; G150-H460 WeakPolarHBondContact CA-ND1 3.45Å; G150-H460 WeakPolarHBondContact CA-NE2 3.4Å; G150-H460 PolarHBondContact N-CE1 2.86Å; G150-H460 PolarHBondContact N-NE2 2.58Å; G150-H460 VanDerWaalsContact N-NE2 3.11Å; F458-H460 HydrophobicContact CD1-CB 4.48Å; F458-H460 HydrophobicContact CE1-CB 4.13Å
461R98.7Very high98.5Very high1 Ų150.2 Ų50.20%0.00426%0.257CS..  trans-117.6134.1-174.7-55.2164.6-64-180-1.3110.5S126 L127 G150 N152 S153 F382 F384S126-R461 PolarHBondContact OG-NE 3.03Å; S126-R461 PolarHBondContact OG-NH2 3.43Å; L127-R461 PolarHBondContact O-NH2 2.93Å; G150-R461 CarbonylContact C-O 3.5Å; G150-R461 VanDerWaalsContact CA-O 3.31Å; G150-R461 WeakPolarHBondContact CA-O 3.31Å; G150-R461 PolarHBondContact O-N 3.18Å; G150-R461 PolarHBondContact O-NE 3.5Å; G150-R461 VanDerWaalsContact O-NE 3.15Å; G150-R461 PolarHBondContact O-NH2 3.34Å; N152-R461 WeakPolarHBondContact ND2-CB 3.34Å; S153-R461 PolarHBondContact OG-NH1 3.2Å; F382-R461 WeakPolarHBondContact O-CD 3.41Å; F382-R461 WeakPolarHBondContact O-CG 3.3Å; F384-R461 HydrophobicContact CD1-CG 3.82Å; F384-R461 HydrophobicContact CE1-CG 4.28Å
462G98Very high98.6Very high32 Ų3249.4 Ų49.433%0.3325%0.252SS..  trans-73.8150.917300000112.3N152 N383N152-G462 PolarHBondContact ND2-O 2.93Å; N383-G462 PolarHBondContact ND2-O 3.32Å
463P98.7Very high98.6Very high39 Ų3950 Ų5025%0.25324%0.242SC..SBendtrans-69.2176.8168.131.3-34.4000111.4I181 N383 S465I181-P463 WeakPolarHBondContact O-CB 3.43Å; N383-P463 PolarHBondContact ND2-O 2.92Å; P463-S465 PolarHBondContact O-N 3.06Å
464F98.8Very high98.6Very high87 Ų8751.6 Ų51.638%0.38224%0.244SC..SBendtrans5649.3176.8-57-80.8000113.9E180 G182 E466 Y469E180-F464 WeakPolarHBondContact O-CZ 3.29Å; G182-F464 PolarHBondContact O-N 2.65Å; F464-E466 PolarHBondContact O-N 3.37Å; F464-E466 VanDerWaalsContact O-N 3.1Å; F464-Y469 AromaticContact CD1-CD1 3.85Å; F464-Y469 HydrophobicContact CD1-CD1 3.85Å; F464-Y469 HydrophobicContact CD1-CE1 4.03Å; F464-Y469 HydrophobicContact CD1-CG 4.19Å; F464-Y469 HydrophobicContact CE1-CD1 4.45Å; F464-Y469 HydrophobicContact CE1-CE1 4.32Å
465S98.8Very high98.7Very high4 Ų454.2 Ų54.23%0.02825%0.249CC..  trans-45.9122.6172.11690000110.5K380 I381 P463 F467 V468 Y469K380-S465 PolarHBondContact O-OG 3.08Å; I381-S465 WeakPolarHBondContact O-CB 3.37Å; I381-S465 PolarHBondContact O-OG 2.93Å; P463-S465 PolarHBondContact O-N 3.06Å; S465-F467 PolarHBondContact O-N 3.41Å; S465-F467 PolarHBondContact OG-N 3.27Å; S465-V468 PolarHBondContact O-N 3.27Å; S465-Y469 WeakPolarHBondContact O-CB 3.32Å; S465-Y469 PolarHBondContact O-N 3.02Å
466E98.8Very high98.7Very high82 Ų8254.9 Ų54.938%0.38325%0.253SS..Hα-helixtrans-61.1-34.8-177.7-77.8-58.9108.200112.4F464 V468 K470 R473F464-E466 PolarHBondContact O-N 3.37Å; F464-E466 VanDerWaalsContact O-N 3.1Å; E466-V468 PolarHBondContact O-N 2.93Å; E466-K470 HydrophobicContact CB-CD 4.33Å; E466-K470 HydrophobicContact CB-CG 4.39Å; E466-K470 VanDerWaalsContact O-CB 3.31Å; E466-K470 WeakPolarHBondContact O-CB 3.33Å; E466-K470 WeakPolarHBondContact O-CD 3.38Å; E466-K470 WeakPolarHBondContact O-CG 3.48Å; E466-K470 PolarHBondContact O-N 3.24Å; E466-K470 WeakPolarHBondContact OE2-CE 3.34Å; E466-K470 WeakPolarHBondContact OE2-CG 3.5Å; E466-R473 IonicContact OE1-CZ 2.72Å; E466-R473 IonicContact OE1-NH1 2.6Å; E466-R473 PolarHBondContact OE1-NH1 3.26Å; E466-R473 IonicContact OE1-NH2 2.79Å; E466-R473 PolarHBondContact OE1-NH2 3.36Å; E466-R473 IonicContact OE2-CZ 2.87Å; E466-R473 IonicContact OE2-NH2 3.18Å; E466-R473 PolarHBondContact OE2-NH2 3.11Å
467F98.8Very high98.6Very high97 Ų9760.7 Ų60.743%0.42528%0.281SS..Hα-helixtrans-61.6-35.6176.3-177.3-109.3000111.9F265 K380 I381 S465F265-F467 HydrophobicContact CD1-CE1 4.42Å; F265-F467 HydrophobicContact CE1-CD1 4.25Å; F265-F467 AromaticContact CE1-CE1 3.5Å; F265-F467 HydrophobicContact CE1-CE1 3.5Å; F265-F467 VanDerWaalsContact CE1-CE1 3.5Å; F265-F467 HydrophobicContact CE1-CZ 4.16Å; F265-F467 HydrophobicContact CZ-CD1 4.2Å; F265-F467 AromaticContact CZ-CE1 3.9Å; F265-F467 HydrophobicContact CZ-CE1 3.9Å; K380-F467 HydrophobicContact CB-CB 3.97Å; K380-F467 HydrophobicContact CB-CD1 3.87Å; K380-F467 HydrophobicContact CB-CD2 4.18Å; K380-F467 HydrophobicContact CB-CE1 4.38Å; K380-F467 HydrophobicContact CB-CG 3.75Å; K380-F467 HydrophobicContact CD-CD2 4.32Å; K380-F467 HydrophobicContact CD-CE2 4.37Å; I381-F467 HydrophobicContact CD1-CE1 4.44Å; I381-F467 HydrophobicContact CG1-CD1 3.79Å; I381-F467 HydrophobicContact CG1-CE1 3.73Å; S465-F467 PolarHBondContact O-N 3.41Å; S465-F467 PolarHBondContact OG-N 3.27Å
468V98.8Very high98.6Very high2 Ų261 Ų611%0.01229%0.291CS..Hα-helixtrans-88.1-45-177.5179.50000111.6I184 P239 F265 I381 S465 E466I184-V468 HydrophobicContact CD1-CG1 4.19Å; I184-V468 HydrophobicContact CD1-CG2 4.28Å; P239-V468 HydrophobicContact CB-CG1 3.24Å; P239-V468 HydrophobicContact CG-CG1 3.49Å; P239-V468 VanDerWaalsContact CG-CG1 3.49Å; F265-V468 HydrophobicContact CE2-CG1 4.38Å; F265-V468 HydrophobicContact CE2-CG2 4.17Å; F265-V468 HydrophobicContact CZ-CG2 4.34Å; I381-V468 HydrophobicContact CG2-CG2 4.3Å; S465-V468 PolarHBondContact O-N 3.27Å; E466-V468 PolarHBondContact O-N 2.93Å
469Y98.9Very high98.5Very high4 Ų462.4 Ų62.42%0.01631%0.313CS..Hα-helixtrans-96.2-15.4-165.1-85.3-94.1000115.8C178 G182 A183 P239 F464 S465 R471 I472 R473C178-Y469 PolarHBondContact O-OH 3.3Å; G182-Y469 VanDerWaalsContact C-CZ 3.42Å; G182-Y469 VanDerWaalsContact CA-CZ 3.46Å; G182-Y469 VanDerWaalsContact CA-OH 3.29Å; G182-Y469 WeakPolarHBondContact CA-OH 3.33Å; G182-Y469 WeakPolarHBondContact O-CE2 3.03Å; A183-Y469 VanDerWaalsContact C-OH 3.27Å; A183-Y469 PolarHBondContact N-OH 3.41Å; A183-Y469 PolarHBondContact O-OH 3.14Å; P239-Y469 HydrophobicContact CG-CE1 4.35Å; P239-Y469 HydrophobicContact CG-CE2 3.81Å; F464-Y469 AromaticContact CD1-CD1 3.85Å; F464-Y469 HydrophobicContact CD1-CD1 3.85Å; F464-Y469 HydrophobicContact CD1-CE1 4.03Å; F464-Y469 HydrophobicContact CD1-CG 4.19Å; F464-Y469 HydrophobicContact CE1-CD1 4.45Å; F464-Y469 HydrophobicContact CE1-CE1 4.32Å; S465-Y469 WeakPolarHBondContact O-CB 3.32Å; S465-Y469 PolarHBondContact O-N 3.02Å; Y469-R471 VanDerWaalsContact C-N 3.31Å; Y469-R471 PolarHBondContact O-N 3.17Å; Y469-I472 HydrophobicContact CD1-CB 4.15Å; Y469-I472 HydrophobicContact CD1-CG2 4.09Å; Y469-I472 HydrophobicContact CE1-CG2 4.35Å; Y469-I472 PolarHBondContact O-N 3.15Å; Y469-I472 VanDerWaalsContact O-N 3.09Å; Y469-R473 PolarHBondContact O-N 3.46Å
470K98.8Very high98.3Very high128 Ų12870.8 Ų70.856%0.55734%0.344SS*.Hα-helixtrans-53.3-47.3179.3-85.5175.9175.8177.30112.5E466 Q474E466-K470 HydrophobicContact CB-CD 4.33Å; E466-K470 HydrophobicContact CB-CG 4.39Å; E466-K470 VanDerWaalsContact O-CB 3.31Å; E466-K470 WeakPolarHBondContact O-CB 3.33Å; E466-K470 WeakPolarHBondContact O-CD 3.38Å; E466-K470 WeakPolarHBondContact O-CG 3.48Å; E466-K470 PolarHBondContact O-N 3.24Å; E466-K470 WeakPolarHBondContact OE2-CE 3.34Å; E466-K470 WeakPolarHBondContact OE2-CG 3.5Å; K470-Q474 PolarHBondContact O-N 2.6Å
471R98.6Very high98.2Very high107 Ų10772 Ų7240%0.40436%0.361SS..Hα-helixtrans-69-38.3177.1-66.6-169.1-63168.20.4112.6V263 Y469 Q474 R475V263-R471 HydrophobicContact CG2-CB 4.44Å; Y469-R471 VanDerWaalsContact C-N 3.31Å; Y469-R471 PolarHBondContact O-N 3.17Å; R471-Q474 PolarHBondContact O-N 2.99Å; R471-R475 WeakPolarHBondContact O-CG 3.43Å; R471-R475 PolarHBondContact O-N 3.28Å; R471-R475 VanDerWaalsContact O-CG 3.31Å
472I98.8Very high98.1Very high2 Ų276.4 Ų76.41%0.0140%0.398CS..Hα-helixtrans-60.1-50.4179.8-62.2-60.4000110.5N237 P239 V263 Y469 Q474 R475 D476N237-I472 PolarHBondContact ND2-O 3.11Å; N237-I472 WeakPolarHBondContact O-CG2 3.42Å; N237-I472 WeakPolarHBondContact OD1-CD1 3.45Å; P239-I472 HydrophobicContact CB-CG1 4.45Å; V263-I472 HydrophobicContact CB-CD1 3.83Å; V263-I472 HydrophobicContact CG1-CD1 4.17Å; V263-I472 HydrophobicContact CG1-CG1 4.47Å; V263-I472 HydrophobicContact CG2-CD1 3.52Å; V263-I472 HydrophobicContact CG2-CG1 4.33Å; Y469-I472 HydrophobicContact CD1-CB 4.15Å; Y469-I472 HydrophobicContact CD1-CG2 4.09Å; Y469-I472 HydrophobicContact CE1-CG2 4.35Å; Y469-I472 PolarHBondContact O-N 3.15Å; Y469-I472 VanDerWaalsContact O-N 3.09Å; I472-Q474 VanDerWaalsContact C-N 3.33Å; I472-Q474 PolarHBondContact O-N 3.14Å; I472-R475 WeakPolarHBondContact O-CB 3.44Å; I472-R475 PolarHBondContact O-N 3.23Å; I472-R475 VanDerWaalsContact O-N 3.15Å; I472-D476 PolarHBondContact O-N 3.19Å
473R98.7Very high98Very high87 Ų8779.4 Ų79.433%0.32842%0.42SS..Hα-helixtrans-62.7-39.1179.9-66.7-172.5-57.1-110.20.4112.4E466 Y469 D476 Q477E466-R473 IonicContact OE1-CZ 2.72Å; E466-R473 IonicContact OE1-NH1 2.6Å; E466-R473 PolarHBondContact OE1-NH1 3.26Å; E466-R473 IonicContact OE1-NH2 2.79Å; E466-R473 PolarHBondContact OE1-NH2 3.36Å; E466-R473 IonicContact OE2-CZ 2.87Å; E466-R473 IonicContact OE2-NH2 3.18Å; E466-R473 PolarHBondContact OE2-NH2 3.11Å; Y469-R473 PolarHBondContact O-N 3.46Å; R473-D476 PolarHBondContact O-N 3.24Å; R473-Q477 WeakPolarHBondContact O-CG 3.45Å; R473-Q477 PolarHBondContact O-N 2.77Å
474Q98.8Very high98Very high102 Ų10282.2 Ų82.248%0.47744%0.436SS..Hα-helixtrans-63.7-41.9175.2-172.261.532.200111.6K470 R471 I472 D476 Q477 V478K470-Q474 PolarHBondContact O-N 2.6Å; R471-Q474 PolarHBondContact O-N 2.99Å; I472-Q474 VanDerWaalsContact C-N 3.33Å; I472-Q474 PolarHBondContact O-N 3.14Å; Q474-D476 VanDerWaalsContact C-N 3.34Å; Q474-D476 PolarHBondContact O-N 3.25Å; Q474-Q477 WeakPolarHBondContact O-CB 3.02Å; Q474-Q477 PolarHBondContact O-N 3.05Å; Q474-Q477 VanDerWaalsContact O-N 3.14Å; Q474-V478 VanDerWaalsContact O-N 3.11Å; Q474-V478 WeakPolarHBondContact O-CG2 3.39Å; Q474-V478 PolarHBondContact O-N 3.38Å
475R98.5Very high97.9Very high71 Ų7186.1 Ų86.127%0.26846%0.459SS..Hα-helixtrans-61.4-40.4176.5-73.1170.1-170.4-162.3-3.1112.5N237 G261 R471 I472 Q477 V478 G479N237-R475 WeakPolarHBondContact OD1-CD 3.35Å; G261-R475 PolarHBondContact O-NH1 3.48Å; G261-R475 PolarHBondContact O-NH2 3Å; R471-R475 WeakPolarHBondContact O-CG 3.43Å; R471-R475 PolarHBondContact O-N 3.28Å; R471-R475 VanDerWaalsContact O-CG 3.31Å; I472-R475 WeakPolarHBondContact O-CB 3.44Å; I472-R475 PolarHBondContact O-N 3.23Å; I472-R475 VanDerWaalsContact O-N 3.15Å; R475-Q477 PolarHBondContact O-N 3.4Å; R475-V478 PolarHBondContact O-N 3.32Å; R475-G479 VanDerWaalsContact O-CA 3.28Å; R475-G479 WeakPolarHBondContact O-CA 3.3Å; R475-G479 PolarHBondContact O-N 3.02Å
476D98.1Very high97.8Very high55 Ų5595.1 Ų95.129%0.29449%0.492SS..Hα-helixtrans-63.9-25.9176.6-70.4-24.7000113K179 N237 I472 R473 Q474 R480K179-D476 WeakPolarHBondContact CE-OD1 3.36Å; K179-D476 WeakPolarHBondContact CE-OD2 3.28Å; K179-D476 VanDerWaalsContact NZ-CG 3.32Å; K179-D476 IonicContact NZ-OD1 3.25Å; K179-D476 PolarHBondContact NZ-OD1 2.77Å; K179-D476 IonicContact NZ-OD2 2.7Å; K179-D476 PolarHBondContact NZ-OD2 3.38Å; N237-D476 PolarHBondContact ND2-OD1 3.27Å; I472-D476 PolarHBondContact O-N 3.19Å; R473-D476 PolarHBondContact O-N 3.24Å; Q474-D476 VanDerWaalsContact C-N 3.34Å; Q474-D476 PolarHBondContact O-N 3.25Å; D476-R480 VanDerWaalsContact O-CG 3.3Å; D476-R480 WeakPolarHBondContact O-CG 3.39Å; D476-R480 PolarHBondContact O-NE 2.7Å
477Q97.8Very high97.7Very high124 Ų124100.4 Ų100.458%0.57951%0.514SS*.Hα-helixtrans-79.4-46176.7-67.8175.58.900111.9R473 Q474 R475R473-Q477 WeakPolarHBondContact O-CG 3.45Å; R473-Q477 PolarHBondContact O-N 2.77Å; Q474-Q477 WeakPolarHBondContact O-CB 3.02Å; Q474-Q477 PolarHBondContact O-N 3.05Å; Q474-Q477 VanDerWaalsContact O-N 3.14Å; R475-Q477 PolarHBondContact O-N 3.4Å
478V98.1Very high97.6Very high108 Ų108101.1 Ų101.166%0.65553%0.528SS*.Hα-helixtrans-101.2-18.1-170.3-540000114.7Q474 R475Q474-V478 VanDerWaalsContact O-N 3.11Å; Q474-V478 WeakPolarHBondContact O-CG2 3.39Å; Q474-V478 PolarHBondContact O-N 3.38Å; R475-V478 PolarHBondContact O-N 3.32Å
479G96Very high97.5Very high59 Ų59109.3 Ų109.361%0.60856%0.56SS**  trans-10019.8-173.900000114.4R475R475-G479 VanDerWaalsContact O-CA 3.28Å; R475-G479 WeakPolarHBondContact O-CA 3.3Å; R475-G479 PolarHBondContact O-N 3.02Å
480R95.6Very high97.4Very high187 Ų187117.7 Ų117.771%0.70660%0.6SS**  trans-68.4133.2179.6-63.8-176.4-178.5-175.1-1.9110.1D476 A482D476-R480 VanDerWaalsContact O-CG 3.3Å; D476-R480 WeakPolarHBondContact O-CG 3.39Å; D476-R480 PolarHBondContact O-NE 2.7Å; R480-A482 PolarHBondContact O-N 3.48Å
481P96.1Very high97.2Very high133 Ų133113.3 Ų113.386%0.86459%0.591SS**  trans-62.8138.5176.426.7-33.6000110.3
482A96.3Very high97Very high95 Ų95117.8 Ų117.879%0.78561%0.614SS**  trans-109.8129179.200000110.5R480R480-A482 PolarHBondContact O-N 3.48Å
483A96.9Very high96.9Very high95 Ų95123.3 Ų123.379%0.78565%0.647SS**PPolyproline II helixtrans-73.9136172.500000110.1I485A483-I485 PolarHBondContact O-N 3.28Å
484V97.8Very high96.5Very high97 Ų97125.9 Ų125.959%0.58867%0.666SS**PPolyproline II helixtrans-71.5125.6167.6179.60000108.3R486V484-R486 HydrophobicContact CG1-CG 4.07Å; V484-R486 PolarHBondContact O-N 3.44Å
485I97.3Very high95.9Very high170 Ų170127 Ų12787%0.87269%0.685SS**PPolyproline II helixtrans-70.5117.1175-57.4175.3000108.4A483A483-I485 PolarHBondContact O-N 3.28Å
486R96.3Very high94.9Very high192 Ų192132.9 Ų132.973%0.72573%0.728SS**  trans-126.2149.2177.5-61.6-171.6-178.692.7-2.6109.9V484V484-R486 HydrophobicContact CG1-CG 4.07Å; V484-R486 PolarHBondContact O-N 3.44Å
487K96.4Very high94.7Very high194 Ų194136.8 Ų136.884%0.84375%0.75SS**PPolyproline II helixtrans-63.4144.4163.3-67.7-174.3178-175.90108.9
488P96.8Very high94.6Very high111 Ų111137.5 Ų137.572%0.72176%0.759SS**PPolyproline II helixtrans-52.9143.1170.3-25.435.1000111.3E490P488-E490 PolarHBondContact O-N 3.31Å
489Y96.6Very high94.4Very high175 Ų175139.1 Ų139.169%0.68677%0.765SS**PPolyproline II helixtrans-73116.7176.2174.4-101.3000109.5G491 K492 V493Y489-G491 VanDerWaalsContact CE1-C 3.41Å; Y489-G491 WeakPolarHBondContact CE1-O 3.13Å; Y489-G491 WeakPolarHBondContact OH-CA 3.49Å; Y489-K492 PolarHBondContact OH-O 2.87Å; Y489-V493 HydrophobicContact CD1-CG2 4.4Å; Y489-V493 HydrophobicContact CE1-CG2 3.95Å
490E96.6Very high94.3Very high179 Ų179143.8 Ų143.884%0.83677%0.774SS**  trans-100.41.8-179.8-65.9175.7-17700112.9P488P488-E490 PolarHBondContact O-N 3.31Å
491G96.2Very high94.2Very high37 Ų37141.1 Ų141.138%0.38178%0.779SS.*SBendtrans-74.5169.4-179.600000113.2Y489Y489-G491 VanDerWaalsContact CE1-C 3.41Å; Y489-G491 WeakPolarHBondContact CE1-O 3.13Å; Y489-G491 WeakPolarHBondContact OH-CA 3.49Å
492K93.9Very high94.1Very high201 Ų201141.7 Ų141.787%0.87477%0.773SS**  trans-64145.3176-64.8-177.7-179.71800110.7Y489Y489-K492 PolarHBondContact OH-O 2.87Å
493V95.9Very high93.9Very high117 Ų117145 Ų14571%0.70977%0.772SS**  trans-118.7139.9171.3-175.70000107.6Y489Y489-V493 HydrophobicContact CD1-CG2 4.4Å; Y489-V493 HydrophobicContact CE1-CG2 3.95Å
494I89.9Confident93.7Very high141 Ų141148.8 Ų148.872%0.72377%0.771SS**  trans-65.615117661.4170.4000110.8V496I494-V496 HydrophobicContact CD1-CG2 3.8Å; I494-V496 HydrophobicContact CG1-CG2 3.92Å
495S87.8Confident93.3Very high127 Ų127153.2 Ų153.289%0.88879%0.786SS**  trans-85.5125.6164.8-57.20000108.6
496V76.6Confident93Very high194 Ų194151.6 Ų151.6100%1.17678%0.778SS**  trans-107.90177.8-175.50000109.6I494I494-V496 HydrophobicContact CD1-CG2 3.8Å; I494-V496 HydrophobicContact CG1-CG2 3.92Å

Retrieved 496 of 496 residues in 171.4 ms (Link to these results)

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