A0A087YII5_POEFO Loading...

Mitogen-activated protein kinase 6

AlphaFold DB , UniProt , Accession A0A087YII5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 754 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
1M38Very low48Very low189 Ų189110.8 Ų110.893%0.93157%0.569SS**  0-630-88.9-174.9-171.500111.2E3 K4 F5M1-E3 PolarHBondContact O-N 3.27Å; M1-E3 VanDerWaalsContact O-N 3.16Å; M1-K4 WeakPolarHBondContact O-CA 3.12Å; M1-K4 WeakPolarHBondContact O-CB 3.46Å; M1-K4 PolarHBondContact O-N 2.97Å; M1-F5 HydrophobicContact CB-CD2 4.15Å; M1-F5 HydrophobicContact CB-CE2 3.92Å; M1-F5 HydrophobicContact CG-CE2 4.1Å; M1-F5 PolarHBondContact O-N 3.21Å; M1-F5 HydrophobicContact SD-CE2 4.23Å
2A35.2Very low48.8Very low73 Ų73106.3 Ų106.360%0.60354%0.544SS*.Hα-helixtrans-40.8-52.5-17500000115.6K4 F5 E6A2-K4 PolarHBondContact O-N 2.65Å; A2-K4 VanDerWaalsContact O-N 3.17Å; A2-F5 CarbonylContact O-C 3.54Å; A2-F5 WeakPolarHBondContact O-CA 3.45Å; A2-F5 WeakPolarHBondContact O-CB 3.1Å; A2-F5 PolarHBondContact O-N 3.06Å; A2-E6 PolarHBondContact O-N 2.95Å
3E38Very low50.1Low167 Ų167101.2 Ų101.278%0.7853%0.533SS*.Hα-helixtrans-55.5-36178.5-58.2168137.200113.5M1 F5 S7M1-E3 PolarHBondContact O-N 3.27Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-F5 VanDerWaalsContact C-N 3.29Å; E3-S7 WeakPolarHBondContact O-CB 3.19Å; E3-S7 PolarHBondContact O-N 2.65Å
4K48.1Very low51.7Low163 Ų16396.3 Ų96.371%0.70951%0.505SS*.Hα-helixtrans-73.5-23.3176.4-157.4-178.2-177.9-170.80111.8M1 A2 L8M1-K4 WeakPolarHBondContact O-CA 3.12Å; M1-K4 WeakPolarHBondContact O-CB 3.46Å; M1-K4 PolarHBondContact O-N 2.97Å; A2-K4 PolarHBondContact O-N 2.65Å; A2-K4 VanDerWaalsContact O-N 3.17Å; K4-L8 VanDerWaalsContact O-CG 3.32Å; K4-L8 WeakPolarHBondContact O-CG 3.32Å; K4-L8 PolarHBondContact O-N 3.2Å; K4-L8 VanDerWaalsContact O-N 3.16Å
5F54.8Low53.6Low77 Ų7794.1 Ų94.134%0.33849%0.494SS..Hα-helixtrans-89.2-35.5175.4-69.1-60.3000113.3M1 A2 E3 S7 L8 M9 P25M1-F5 HydrophobicContact CB-CD2 4.15Å; M1-F5 HydrophobicContact CB-CE2 3.92Å; M1-F5 HydrophobicContact CG-CE2 4.1Å; M1-F5 PolarHBondContact O-N 3.21Å; M1-F5 HydrophobicContact SD-CE2 4.23Å; A2-F5 CarbonylContact O-C 3.54Å; A2-F5 WeakPolarHBondContact O-CA 3.45Å; A2-F5 WeakPolarHBondContact O-CB 3.1Å; A2-F5 PolarHBondContact O-N 3.06Å; E3-F5 VanDerWaalsContact C-N 3.29Å; F5-S7 PolarHBondContact O-N 3.31Å; F5-L8 HydrophobicContact CD1-CD1 3.76Å; F5-L8 HydrophobicContact CE1-CD1 4.06Å; F5-L8 CarbonylContact O-C 3.58Å; F5-L8 PolarHBondContact O-N 2.86Å; F5-L8 VanDerWaalsContact O-N 3.12Å; F5-M9 WeakPolarHBondContact O-CG 3.46Å; F5-M9 PolarHBondContact O-N 3.25Å; F5-P25 HydrophobicContact CD1-CG 3.95Å; F5-P25 HydrophobicContact CE1-CB 4.48Å; F5-P25 HydrophobicContact CE1-CG 4.01Å; F5-P25 HydrophobicContact CG-CG 4.23Å; F5-P25 HydrophobicContact CZ-CG 4.3Å
6E50.5Low55.2Low122 Ų12288.8 Ų88.857%0.5747%0.466SS*.Hα-helixtrans-59.2-41164.7-72.1-170.6159.700110.4A2 M9 N10A2-E6 PolarHBondContact O-N 2.95Å; E6-M9 PolarHBondContact O-N 2.76Å; E6-N10 WeakPolarHBondContact O-CB 3.48Å; E6-N10 PolarHBondContact O-N 3.46Å; E6-N10 PolarHBondContact O-ND2 2.84Å
7S50.8Low56.7Low59 Ų5986.2 Ų86.241%0.41347%0.466SS..Hα-helixtrans-58-46.5170.6-175.70000111.8E3 F5 N10 I11E3-S7 WeakPolarHBondContact O-CB 3.19Å; E3-S7 PolarHBondContact O-N 2.65Å; F5-S7 PolarHBondContact O-N 3.31Å; S7-N10 PolarHBondContact O-N 3.36Å; S7-I11 WeakPolarHBondContact O-CB 3.33Å; S7-I11 WeakPolarHBondContact O-CD1 3.41Å; S7-I11 WeakPolarHBondContact O-CG1 3.26Å; S7-I11 PolarHBondContact O-N 2.9Å; S7-I11 WeakPolarHBondContact OG-CD1 3.43Å
8L51.4Low58.3Low52 Ų5287.3 Ų87.327%0.27248%0.482SS..Hα-helixtrans-66.3-38177.4-76164.1000113.8K4 F5 I11 H12K4-L8 VanDerWaalsContact O-CG 3.32Å; K4-L8 WeakPolarHBondContact O-CG 3.32Å; K4-L8 PolarHBondContact O-N 3.2Å; K4-L8 VanDerWaalsContact O-N 3.16Å; F5-L8 HydrophobicContact CD1-CD1 3.76Å; F5-L8 HydrophobicContact CE1-CD1 4.06Å; F5-L8 CarbonylContact O-C 3.58Å; F5-L8 PolarHBondContact O-N 2.86Å; F5-L8 VanDerWaalsContact O-N 3.12Å; L8-I11 PolarHBondContact O-N 2.95Å; L8-H12 WeakPolarHBondContact O-CB 3.15Å; L8-H12 PolarHBondContact O-CD2 3.01Å; L8-H12 VanDerWaalsContact O-CD2 3.27Å; L8-H12 PolarHBondContact O-N 3.47Å
9M55.5Low59.9Low60 Ų6085.5 Ų85.530%0.29647%0.467SS..Hα-helixtrans-64.7-41.5174.5-70.4-166.1-62.500111.4F5 E6 I11 G13 L23 F35F5-M9 WeakPolarHBondContact O-CG 3.46Å; F5-M9 PolarHBondContact O-N 3.25Å; E6-M9 PolarHBondContact O-N 2.76Å; M9-I11 VanDerWaalsContact C-N 3.33Å; M9-I11 PolarHBondContact O-N 2.83Å; M9-G13 WeakPolarHBondContact O-CA 3.46Å; M9-G13 PolarHBondContact O-N 2.95Å; M9-L23 HydrophobicContact SD-CB 4.15Å; M9-F35 HydrophobicContact CG-CE1 3.96Å; M9-F35 HydrophobicContact CG-CZ 4.13Å; M9-F35 HydrophobicContact SD-CE1 4.15Å
10N53.3Low61.4Low139 Ų13981.8 Ų81.874%0.74345%0.445SS*.Hα-helixtrans-70.1-25.7174.5-73.8-61.1000113.4E6 S7E6-N10 WeakPolarHBondContact O-CB 3.48Å; E6-N10 PolarHBondContact O-N 3.46Å; E6-N10 PolarHBondContact O-ND2 2.84Å; S7-N10 PolarHBondContact O-N 3.36Å
11I52.4Low62.7Low118 Ų11883.3 Ų83.361%0.60545%0.451SS*.Hα-helixtrans-82.1-40.3176.7-73.9164.1000112S7 L8 M9S7-I11 WeakPolarHBondContact O-CB 3.33Å; S7-I11 WeakPolarHBondContact O-CD1 3.41Å; S7-I11 WeakPolarHBondContact O-CG1 3.26Å; S7-I11 PolarHBondContact O-N 2.9Å; S7-I11 WeakPolarHBondContact OG-CD1 3.43Å; L8-I11 PolarHBondContact O-N 2.95Å; M9-I11 VanDerWaalsContact C-N 3.33Å; M9-I11 PolarHBondContact O-N 2.83Å
12H57.3Low65Low57 Ų5777.6 Ų77.626%0.26442%0.424SS..Hα-helixtrans-94.6-11.2-176.6-68.1-71.2000114.3L8 F14 L33 K50L8-H12 WeakPolarHBondContact O-CB 3.15Å; L8-H12 PolarHBondContact O-CD2 3.01Å; L8-H12 VanDerWaalsContact O-CD2 3.27Å; L8-H12 PolarHBondContact O-N 3.47Å; H12-F14 HydrophobicContact CB-CE2 4.41Å; H12-L33 HydrophobicContact CB-CD1 4.44Å; H12-K50 PolarHBondContact O-NZ 3.23Å
13G65.6Low67.5Low39 Ų3976.3 Ų76.340%0.40241%0.407SS..THydrogen-bonded Turntrans5873.1169.400000113.8M9 K50 Y105M9-G13 WeakPolarHBondContact O-CA 3.46Å; M9-G13 PolarHBondContact O-N 2.95Å; G13-K50 PolarHBondContact O-NZ 3.5Å; G13-Y105 PolarHBondContact O-OH 2.61Å
14F73.3Confident69.8Low33 Ų3373.1 Ų73.115%0.14539%0.391CS..  trans-79.1125.1172.3-87.3-112.5000110.2H12 L16 L23 L33 F35 K50 Y105H12-F14 HydrophobicContact CB-CE2 4.41Å; F14-L16 HydrophobicContact CD1-CD1 4.19Å; F14-L23 HydrophobicContact CB-CD1 4.32Å; F14-L33 HydrophobicContact CE2-CB 4.46Å; F14-L33 HydrophobicContact CZ-CB 4.28Å; F14-F35 HydrophobicContact CD1-CD2 4.23Å; F14-F35 HydrophobicContact CD1-CE2 4.48Å; F14-F35 HydrophobicContact CD2-CE2 4.04Å; F14-F35 AromaticContact CE1-CD2 3.53Å; F14-F35 HydrophobicContact CE1-CD2 3.53Å; F14-F35 AromaticContact CE1-CE2 3.92Å; F14-F35 HydrophobicContact CE1-CE2 3.92Å; F14-F35 HydrophobicContact CE1-CG 4.36Å; F14-F35 AromaticContact CE2-CD2 3.95Å; F14-F35 HydrophobicContact CE2-CD2 3.95Å; F14-F35 AromaticContact CE2-CE2 3.42Å; F14-F35 HydrophobicContact CE2-CE2 3.42Å; F14-F35 VanDerWaalsContact CE2-CE2 3.42Å; F14-F35 HydrophobicContact CE2-CZ 4.24Å; F14-F35 AromaticContact CZ-CD2 3.37Å; F14-F35 HydrophobicContact CZ-CD2 3.37Å; F14-F35 AromaticContact CZ-CE2 3.34Å; F14-F35 HydrophobicContact CZ-CE2 3.34Å; F14-F35 HydrophobicContact CZ-CZ 4.48Å; F14-K50 HydrophobicContact CD2-CD 4.15Å; F14-K50 HydrophobicContact CE1-CB 3.71Å; F14-K50 HydrophobicContact CE1-CD 4.41Å; F14-K50 HydrophobicContact CE2-CB 4.08Å; F14-K50 HydrophobicContact CE2-CD 3.75Å; F14-K50 HydrophobicContact CZ-CB 3.34Å; F14-K50 HydrophobicContact CZ-CD 3.9Å; F14-K50 HydrophobicContact CZ-CG 4.21Å; F14-Y105 HydrophobicContact CD1-CD1 4.11Å; F14-Y105 AromaticContact CD1-CE1 3.69Å; F14-Y105 HydrophobicContact CD1-CE1 3.69Å; F14-Y105 HydrophobicContact CE1-CD1 4.11Å; F14-Y105 AromaticContact CE1-CE1 3.98Å; F14-Y105 HydrophobicContact CE1-CE1 3.98Å; F14-Y105 HydrophobicContact CG-CE1 4.14Å
15D79.5Confident71.4Confident64 Ų6468 Ų6834%0.34237%0.374SS..  trans-136.278.1-171.1-18023.2000110P86 C87 G88 Y105D15-P86 WeakPolarHBondContact OD2-CB 3.35Å; D15-C87 PolarHBondContact O-N 3.23Å; D15-C87 WeakPolarHBondContact OD1-CA 3.38Å; D15-C87 PolarHBondContact OD1-N 3.26Å; D15-C87 PolarHBondContact OD2-N 3.28Å; D15-G88 PolarHBondContact O-N 2.85Å; D15-Y105 PolarHBondContact N-OH 3.24Å
16L79.5Confident72.8Confident8 Ų868.1 Ų68.14%0.04238%0.378CS..  trans-105.511.7-173.4-69.2167.7000112.7F14 Y20 L23 V48 L84 Y105F14-L16 HydrophobicContact CD1-CD1 4.19Å; L16-Y20 HydrophobicContact CB-CD2 4.12Å; L16-L23 HydrophobicContact CD1-CD1 4.47Å; L16-L23 HydrophobicContact CD1-CD2 4.03Å; L16-V48 HydrophobicContact CD1-CG1 4.03Å; L16-V48 HydrophobicContact CD2-CG1 4.05Å; L16-L84 HydrophobicContact CD2-CD1 4.22Å; L16-Y105 HydrophobicContact CD2-CD1 3.62Å; L16-Y105 HydrophobicContact CD2-CD2 3.87Å; L16-Y105 HydrophobicContact CD2-CE1 4.19Å; L16-Y105 HydrophobicContact CD2-CE2 4.44Å; L16-Y105 HydrophobicContact CD2-CG 3.44Å; L16-Y105 VanDerWaalsContact CD2-CG 3.44Å; L16-Y105 HydrophobicContact CG-CD1 4.17Å; L16-Y105 HydrophobicContact CG-CE1 4.32Å; L16-Y105 HydrophobicContact CG-CG 4.41Å
17G80.8Confident73.8Confident46 Ų4664 Ų6447%0.47437%0.368SS..THydrogen-bonded Turntrans65.2-154.1-167.800000112.2
18S84.8Confident74.5Confident106 Ų10670 Ų7074%0.74138%0.383SS*.THydrogen-bonded Turntrans-94.1-8.2-177.257.30000115.2
19R89.1Confident75Confident53 Ų5369.2 Ų69.220%0.239%0.387CS..SBendtrans-76.3-30.3-172.5177175.5164.9-150.5-8.2113.8D39 T40 D41 E82R19-D39 VanDerWaalsContact CG-OD1 3.24Å; R19-D39 WeakPolarHBondContact CG-OD1 3.14Å; R19-D39 IonicContact CZ-OD1 2.83Å; R19-D39 IonicContact CZ-OD2 2.76Å; R19-D39 IonicContact NE-OD1 3.79Å; R19-D39 PolarHBondContact NE-OD1 2.87Å; R19-D39 IonicContact NE-OD2 3.93Å; R19-D39 PolarHBondContact NE-OD2 3.31Å; R19-D39 IonicContact NH2-OD1 3.75Å; R19-D39 IonicContact NH2-OD2 3.54Å; R19-D39 PolarHBondContact NH2-OD2 3.35Å; R19-T40 WeakPolarHBondContact CA-OG1 3.38Å; R19-T40 WeakPolarHBondContact O-CG2 3.47Å; R19-T40 PolarHBondContact O-N 3.49Å; R19-T40 PolarHBondContact O-OG1 2.91Å; R19-D41 VanDerWaalsContact CD-CG 3.46Å; R19-D41 WeakPolarHBondContact CD-OD2 3.24Å; R19-D41 IonicContact CZ-OD2 2.74Å; R19-D41 IonicContact NE-OD1 3.14Å; R19-D41 IonicContact NE-OD2 2.74Å; R19-D41 PolarHBondContact NE-OD2 3.41Å; R19-E82 IonicContact CZ-OE1 2.67Å; R19-E82 VanDerWaalsContact NH1-CD 3.31Å; R19-E82 IonicContact NH1-OE1 3.27Å; R19-E82 PolarHBondContact NH1-OE1 2.85Å; R19-E82 IonicContact NH1-OE2 3.09Å; R19-E82 PolarHBondContact NH1-OE2 3.18Å; R19-E82 IonicContact NH2-OE1 2.93Å; R19-E82 PolarHBondContact NH2-OE1 3.31Å
20Y90.1Very high74.9Confident10 Ų1070.6 Ų70.64%0.03942%0.416CS..EExtended strand (participates in β ladder)trans-106.2100.8-176.9-63-78.1000110.2L16 A37 D39 V46 E82 L84 V107L16-Y20 HydrophobicContact CB-CD2 4.12Å; Y20-A37 HydrophobicContact CD1-CB 4.26Å; Y20-D39 HydrophobicContact CD1-CB 4.14Å; Y20-D39 HydrophobicContact CE1-CB 3.83Å; Y20-V46 HydrophobicContact CD1-CG2 3.87Å; Y20-V46 HydrophobicContact CE1-CG2 3.94Å; Y20-E82 PolarHBondContact OH-OE1 2.66Å; Y20-L84 HydrophobicContact CD2-CD1 4.16Å; Y20-L84 HydrophobicContact CE2-CD1 3.44Å; Y20-L84 VanDerWaalsContact CE2-CD1 3.44Å; Y20-V107 HydrophobicContact CE1-CG1 3.82Å; Y20-V107 HydrophobicContact CE1-CG2 4.32Å; Y20-V107 HydrophobicContact CE2-CG2 4.46Å
21M87.8Confident74.9Confident115 Ų11566.8 Ų66.857%0.56740%0.396SS*.EExtended strand (participates in β ladder)trans-106.5178.2-176.3-69.5-173.758.800111.7L23 A37 V38 T40M21-L23 VanDerWaalsContact C-N 3.32Å; M21-L23 PolarHBondContact O-N 3.44Å; M21-A37 CarbonylContact O-C 3.56Å; M21-A37 VanDerWaalsContact O-CA 3.25Å; M21-A37 WeakPolarHBondContact O-CA 3.48Å; M21-A37 WeakPolarHBondContact O-CB 3.25Å; M21-V38 PolarHBondContact N-O 3.21Å; M21-V38 PolarHBondContact O-N 3.05Å; M21-T40 HydrophobicContact CB-CG2 4.43Å; M21-T40 HydrophobicContact CG-CG2 4.05Å; M21-T40 HydrophobicContact SD-CG2 3.82Å
22D87.3Confident75.6Confident68 Ų6862.1 Ų62.136%0.36438%0.377SS..EExtended strand (participates in β ladder)trans54.442.6177.1-172.950.9000113.9K24 V38 R45D22-K24 PolarHBondContact O-N 3.23Å; D22-K24 WeakPolarHBondContact OD1-CE 3.38Å; D22-K24 IonicContact OD1-NZ 2.77Å; D22-K24 PolarHBondContact OD1-NZ 3.11Å; D22-K24 WeakPolarHBondContact OD2-CE 3.42Å; D22-K24 IonicContact OD2-NZ 3.74Å; D22-K24 PolarHBondContact OD2-NZ 3.1Å; D22-V38 HydrophobicContact CB-CB 4.5Å; D22-V38 HydrophobicContact CB-CG2 4.05Å; D22-R45 IonicContact OD2-CZ 2.78Å; D22-R45 VanDerWaalsContact OD2-CZ 3.29Å; D22-R45 IonicContact OD2-NH1 2.79Å; D22-R45 PolarHBondContact OD2-NH1 3.36Å; D22-R45 IonicContact OD2-NH2 3.72Å; D22-R45 PolarHBondContact OD2-NH2 2.27Å
23L87.1Confident76.5Confident47 Ų4760.3 Ų60.325%0.24637%0.37CS..EExtended strand (participates in β ladder)trans-61.4104-179.7-76.7169.6000111.7M9 F14 L16 M21 F35 S36 A37M9-L23 HydrophobicContact SD-CB 4.15Å; F14-L23 HydrophobicContact CB-CD1 4.32Å; L16-L23 HydrophobicContact CD1-CD1 4.47Å; L16-L23 HydrophobicContact CD1-CD2 4.03Å; M21-L23 VanDerWaalsContact C-N 3.32Å; M21-L23 PolarHBondContact O-N 3.44Å; L23-F35 HydrophobicContact CB-CD1 4.16Å; L23-F35 HydrophobicContact CD2-CB 3.88Å; L23-F35 HydrophobicContact CD2-CD1 4.44Å; L23-F35 HydrophobicContact CD2-CG 4.33Å; L23-S36 WeakPolarHBondContact CA-O 3.31Å; L23-A37 HydrophobicContact CD2-CB 3.96Å
24K86.6Confident77.5Confident99 Ų9960.2 Ų60.243%0.4336%0.361SS..EExtended strand (participates in β ladder)trans-115.4126.2177.5-73.7161174.3151.20109.5D22 L26 F35 S36D22-K24 PolarHBondContact O-N 3.23Å; D22-K24 WeakPolarHBondContact OD1-CE 3.38Å; D22-K24 IonicContact OD1-NZ 2.77Å; D22-K24 PolarHBondContact OD1-NZ 3.11Å; D22-K24 WeakPolarHBondContact OD2-CE 3.42Å; D22-K24 IonicContact OD2-NZ 3.74Å; D22-K24 PolarHBondContact OD2-NZ 3.1Å; K24-L26 PolarHBondContact O-N 3.11Å; K24-F35 CarbonylContact O-C 3.58Å; K24-F35 VanDerWaalsContact O-CA 3.31Å; K24-F35 WeakPolarHBondContact O-CA 3.2Å; K24-S36 PolarHBondContact N-O 2.76Å; K24-S36 PolarHBondContact O-N 3.47Å
25P83Confident78.3Confident56 Ų5658.9 Ų58.936%0.36436%0.355SS..EExtended strand (participates in β ladder)trans-64.6133.2-179.727.5-34.4000110.8F5 F35F5-P25 HydrophobicContact CD1-CG 3.95Å; F5-P25 HydrophobicContact CE1-CB 4.48Å; F5-P25 HydrophobicContact CE1-CG 4.01Å; F5-P25 HydrophobicContact CG-CG 4.23Å; F5-P25 HydrophobicContact CZ-CG 4.3Å; P25-F35 HydrophobicContact CB-CD1 4.26Å; P25-F35 HydrophobicContact CB-CE1 4.06Å
26L82.4Confident78.9Confident80 Ų8056 Ų5642%0.41934%0.34SS..EExtended strand (participates in β ladder)trans-101.4-41.1172.3-65.9176.7000111.4K24 V34 A47 Y110K24-L26 PolarHBondContact O-N 3.11Å; L26-V34 HydrophobicContact CB-CG1 4.48Å; L26-V34 HydrophobicContact CD1-CG1 4.37Å; L26-V34 PolarHBondContact N-O 3.37Å; L26-A47 HydrophobicContact CD1-CB 4.19Å; L26-Y110 HydrophobicContact CD1-CD2 3.94Å; L26-Y110 HydrophobicContact CD1-CE2 3.83Å; L26-Y110 HydrophobicContact CD2-CE2 3.81Å; L26-Y110 HydrophobicContact CG-CE2 4.48Å
27G72.2Confident79.5Confident35 Ų3555.7 Ų55.736%0.36134%0.338SS..EExtended strand (participates in β ladder)trans-163.7164.4-174.900000114.5V34G27-V34 PolarHBondContact N-O 3.47Å; G27-V34 VanDerWaalsContact N-O 3.17Å; G27-V34 PolarHBondContact O-N 3.3Å
28Y65.8Low80.2Confident186 Ų18654.7 Ų54.773%0.72932%0.323SS*.EExtended strand (participates in β ladder)trans-129.5123.9173178.1-77.1000107.5L33Y28-L33 HydrophobicContact CD2-CD1 4.16Å; Y28-L33 HydrophobicContact CD2-CD2 4.23Å; Y28-L33 HydrophobicContact CD2-CG 3.83Å; Y28-L33 HydrophobicContact CE2-CD1 4.25Å; Y28-L33 HydrophobicContact CE2-CG 4.41Å
29G61.9Low80.6Confident35 Ų3550 Ų5036%0.36129%0.29SS..EExtended strand (participates in β ladder)trans-137.7178.5-18000000112.5N31 G32G29-N31 PolarHBondContact O-N 3.22Å; G29-G32 PolarHBondContact N-O 3.14Å; G29-G32 PolarHBondContact O-N 3.26Å; G29-G32 VanDerWaalsContact O-N 3.12Å
30G53.2Low80.8Confident88 Ų8851 Ų5191%0.90730%0.301SS*.THydrogen-bonded Turntrans-59.5-27.9176.800000113.5
31N54.2Low80.8Confident60 Ų6056.1 Ų56.132%0.32133%0.33SS..THydrogen-bonded Turntrans-90.98.9-179.8-59.9-21.8000113.7G29 D171G29-N31 PolarHBondContact O-N 3.22Å; N31-D171 PolarHBondContact ND2-OD1 3.35Å; N31-D171 PolarHBondContact ND2-OD2 3.38Å
32G66.5Low81Confident20 Ų2053.9 Ų53.921%0.20632%0.324CS..EExtended strand (participates in β ladder)trans120-164.6175.600000115.2G29G29-G32 PolarHBondContact N-O 3.14Å; G29-G32 PolarHBondContact O-N 3.26Å; G29-G32 VanDerWaalsContact O-N 3.12Å
33L76.6Confident81.2Confident19 Ų1957.1 Ų57.110%0.09934%0.342CS..EExtended strand (participates in β ladder)trans-94.1143.2172.1-70.498.3000111H12 F14 Y28 F35 K50H12-L33 HydrophobicContact CB-CD1 4.44Å; F14-L33 HydrophobicContact CE2-CB 4.46Å; F14-L33 HydrophobicContact CZ-CB 4.28Å; Y28-L33 HydrophobicContact CD2-CD1 4.16Å; Y28-L33 HydrophobicContact CD2-CD2 4.23Å; Y28-L33 HydrophobicContact CD2-CG 3.83Å; Y28-L33 HydrophobicContact CE2-CD1 4.25Å; Y28-L33 HydrophobicContact CE2-CG 4.41Å; L33-F35 HydrophobicContact CB-CD2 4.28Å; L33-F35 HydrophobicContact CB-CE2 3.73Å; L33-F35 HydrophobicContact CD2-CE2 4.01Å; L33-F35 HydrophobicContact CD2-CZ 4.25Å; L33-F35 HydrophobicContact CG-CE2 4.5Å; L33-K50 PolarHBondContact O-N 3.31Å; L33-K50 VanDerWaalsContact O-N 3.12Å
34V86.8Confident81.4Confident37 Ų3761.7 Ų61.722%0.22436%0.36CS..EExtended strand (participates in β ladder)trans-117.3129.8173.3-172.10000109.3L26 G27 A47 V48 K49L26-V34 HydrophobicContact CB-CG1 4.48Å; L26-V34 HydrophobicContact CD1-CG1 4.37Å; L26-V34 PolarHBondContact N-O 3.37Å; G27-V34 PolarHBondContact N-O 3.47Å; G27-V34 VanDerWaalsContact N-O 3.17Å; G27-V34 PolarHBondContact O-N 3.3Å; V34-A47 HydrophobicContact CG1-CB 4.43Å; V34-V48 WeakPolarHBondContact CA-O 3.49Å; V34-K49 HydrophobicContact CG2-CB 4.15Å; V34-K49 HydrophobicContact CG2-CG 4.29Å
35F88.9Confident81.8Confident5 Ų561 Ų612%0.02236%0.355CS..EExtended strand (participates in β ladder)trans-117.4153.2175.7-71.9-105.9000109.9M9 F14 L23 K24 P25 L33 A47 V48M9-F35 HydrophobicContact CG-CE1 3.96Å; M9-F35 HydrophobicContact CG-CZ 4.13Å; M9-F35 HydrophobicContact SD-CE1 4.15Å; F14-F35 HydrophobicContact CD1-CD2 4.23Å; F14-F35 HydrophobicContact CD1-CE2 4.48Å; F14-F35 HydrophobicContact CD2-CE2 4.04Å; F14-F35 AromaticContact CE1-CD2 3.53Å; F14-F35 HydrophobicContact CE1-CD2 3.53Å; F14-F35 AromaticContact CE1-CE2 3.92Å; F14-F35 HydrophobicContact CE1-CE2 3.92Å; F14-F35 HydrophobicContact CE1-CG 4.36Å; F14-F35 AromaticContact CE2-CD2 3.95Å; F14-F35 HydrophobicContact CE2-CD2 3.95Å; F14-F35 AromaticContact CE2-CE2 3.42Å; F14-F35 HydrophobicContact CE2-CE2 3.42Å; F14-F35 VanDerWaalsContact CE2-CE2 3.42Å; F14-F35 HydrophobicContact CE2-CZ 4.24Å; F14-F35 AromaticContact CZ-CD2 3.37Å; F14-F35 HydrophobicContact CZ-CD2 3.37Å; F14-F35 AromaticContact CZ-CE2 3.34Å; F14-F35 HydrophobicContact CZ-CE2 3.34Å; F14-F35 HydrophobicContact CZ-CZ 4.48Å; L23-F35 HydrophobicContact CB-CD1 4.16Å; L23-F35 HydrophobicContact CD2-CB 3.88Å; L23-F35 HydrophobicContact CD2-CD1 4.44Å; L23-F35 HydrophobicContact CD2-CG 4.33Å; K24-F35 CarbonylContact O-C 3.58Å; K24-F35 VanDerWaalsContact O-CA 3.31Å; K24-F35 WeakPolarHBondContact O-CA 3.2Å; P25-F35 HydrophobicContact CB-CD1 4.26Å; P25-F35 HydrophobicContact CB-CE1 4.06Å; L33-F35 HydrophobicContact CB-CD2 4.28Å; L33-F35 HydrophobicContact CB-CE2 3.73Å; L33-F35 HydrophobicContact CD2-CE2 4.01Å; L33-F35 HydrophobicContact CD2-CZ 4.25Å; L33-F35 HydrophobicContact CG-CE2 4.5Å; F35-A47 CarbonylContact O-C 3.48Å; F35-A47 WeakPolarHBondContact O-CA 3.4Å; F35-V48 PolarHBondContact N-O 2.95Å; F35-V48 PolarHBondContact O-N 2.65Å
36S92Very high82.4Confident4 Ų458.5 Ų58.53%0.02834%0.338CS..EExtended strand (participates in β ladder)trans-87.2146.7154.775.80000108.8L23 K24 R45 V46L23-S36 WeakPolarHBondContact CA-O 3.31Å; K24-S36 PolarHBondContact N-O 2.76Å; K24-S36 PolarHBondContact O-N 3.47Å; S36-R45 PolarHBondContact OG-NH1 2.67Å; S36-V46 CarbonylContact C-O 3.56Å; S36-V46 WeakPolarHBondContact CA-O 3.32Å
37A93.2Very high82.9Confident0 Ų054.9 Ų54.90%032%0.32CS..EExtended strand (participates in β ladder)trans-133.2160169.200000109.2Y20 M21 L23 R45 V46 V48Y20-A37 HydrophobicContact CD1-CB 4.26Å; M21-A37 CarbonylContact O-C 3.56Å; M21-A37 VanDerWaalsContact O-CA 3.25Å; M21-A37 WeakPolarHBondContact O-CA 3.48Å; M21-A37 WeakPolarHBondContact O-CB 3.25Å; L23-A37 HydrophobicContact CD2-CB 3.96Å; A37-R45 CarbonylContact O-C 3.55Å; A37-R45 VanDerWaalsContact O-CA 3.3Å; A37-R45 WeakPolarHBondContact O-CA 3.4Å; A37-V46 HydrophobicContact CB-CG2 4.06Å; A37-V46 PolarHBondContact N-O 2.71Å; A37-V46 PolarHBondContact O-N 3Å; A37-V48 HydrophobicContact CB-CG2 4.16Å
38V93.9Very high83.9Confident26 Ų2653.2 Ų53.216%0.15830%0.302CS..EExtended strand (participates in β ladder)trans-93.9125160.4178.80000107.7M21 D22M21-V38 PolarHBondContact N-O 3.21Å; M21-V38 PolarHBondContact O-N 3.05Å; D22-V38 HydrophobicContact CB-CB 4.5Å; D22-V38 HydrophobicContact CB-CG2 4.05Å
39D94.1Very high85Confident8 Ų844.8 Ų44.84%0.04327%0.269CS..EExtended strand (participates in β ladder)trans-81.7110.6171.3177.70.8000109.6R19 Y20 D41 C42 D43 K44 V46R19-D39 VanDerWaalsContact CG-OD1 3.24Å; R19-D39 WeakPolarHBondContact CG-OD1 3.14Å; R19-D39 IonicContact CZ-OD1 2.83Å; R19-D39 IonicContact CZ-OD2 2.76Å; R19-D39 IonicContact NE-OD1 3.79Å; R19-D39 PolarHBondContact NE-OD1 2.87Å; R19-D39 IonicContact NE-OD2 3.93Å; R19-D39 PolarHBondContact NE-OD2 3.31Å; R19-D39 IonicContact NH2-OD1 3.75Å; R19-D39 IonicContact NH2-OD2 3.54Å; R19-D39 PolarHBondContact NH2-OD2 3.35Å; Y20-D39 HydrophobicContact CD1-CB 4.14Å; Y20-D39 HydrophobicContact CE1-CB 3.83Å; D39-D41 PolarHBondContact O-N 3.35Å; D39-D41 WeakPolarHBondContact OD1-CB 3.23Å; D39-D41 PolarHBondContact OD1-N 3.07Å; D39-C42 PolarHBondContact O-N 2.86Å; D39-C42 PolarHBondContact OD2-SG 3.47Å; D39-D43 WeakPolarHBondContact O-CA 3.33Å; D39-D43 PolarHBondContact O-N 3.1Å; D39-K44 PolarHBondContact N-O 3.32Å; D39-V46 HydrophobicContact CB-CG1 4.22Å
40T92.4Very high86.2Confident72 Ų7244 Ų4444%0.44226%0.256SS..THydrogen-bonded Turntrans-67.5-16-177.3600000114.3R19 M21R19-T40 WeakPolarHBondContact CA-OG1 3.38Å; R19-T40 WeakPolarHBondContact O-CG2 3.47Å; R19-T40 PolarHBondContact O-N 3.49Å; R19-T40 PolarHBondContact O-OG1 2.91Å; M21-T40 HydrophobicContact CB-CG2 4.43Å; M21-T40 HydrophobicContact CG-CG2 4.05Å; M21-T40 HydrophobicContact SD-CG2 3.82Å
41D91.3Very high87.7Confident119 Ų11940.7 Ų40.764%0.63622%0.217SC*.THydrogen-bonded Turntrans-80.9-20.5-179.9-7215.5000112R19 D39R19-D41 VanDerWaalsContact CD-CG 3.46Å; R19-D41 WeakPolarHBondContact CD-OD2 3.24Å; R19-D41 IonicContact CZ-OD2 2.74Å; R19-D41 IonicContact NE-OD1 3.14Å; R19-D41 IonicContact NE-OD2 2.74Å; R19-D41 PolarHBondContact NE-OD2 3.41Å; D39-D41 PolarHBondContact O-N 3.35Å; D39-D41 WeakPolarHBondContact OD1-CB 3.23Å; D39-D41 PolarHBondContact OD1-N 3.07Å
42C90.8Very high89.1Confident67 Ų6741.8 Ų41.845%0.45322%0.222SC..THydrogen-bonded Turntrans-133.7-1.1-179.369.30000115.7D39 K44D39-C42 PolarHBondContact O-N 2.86Å; D39-C42 PolarHBondContact OD2-SG 3.47Å; C42-K44 VanDerWaalsContact C-N 3.27Å; C42-K44 PolarHBondContact O-N 2.98Å
43D91.6Very high90Very high137 Ų13741.6 Ų41.673%0.73322%0.217SC*.THydrogen-bonded Turntrans5338.7-176.9-155.827.8000113.9D39D39-D43 WeakPolarHBondContact O-CA 3.33Å; D39-D43 PolarHBondContact O-N 3.1Å
44K92.8Very high90.2Very high143 Ų14346 Ų4662%0.62225%0.245SC*.EExtended strand (participates in β ladder)trans-114.7145.9176.9-62.2-165.1176.5-167.10111.6D39 C42D39-K44 PolarHBondContact N-O 3.32Å; C42-K44 VanDerWaalsContact C-N 3.27Å; C42-K44 PolarHBondContact O-N 2.98Å
45R93.9Very high89.9Confident85 Ų8547.4 Ų47.432%0.32125%0.251SS..EExtended strand (participates in β ladder)trans-74.8130.9168.3-168164.8-64.4-78.1-10.7109.5D22 S36 A37 Y110D22-R45 IonicContact OD2-CZ 2.78Å; D22-R45 VanDerWaalsContact OD2-CZ 3.29Å; D22-R45 IonicContact OD2-NH1 2.79Å; D22-R45 PolarHBondContact OD2-NH1 3.36Å; D22-R45 IonicContact OD2-NH2 3.72Å; D22-R45 PolarHBondContact OD2-NH2 2.27Å; S36-R45 PolarHBondContact OG-NH1 2.67Å; A37-R45 CarbonylContact O-C 3.55Å; A37-R45 VanDerWaalsContact O-CA 3.3Å; A37-R45 WeakPolarHBondContact O-CA 3.4Å; R45-Y110 HydrophobicContact CB-CD1 4.16Å; R45-Y110 HydrophobicContact CB-CG 4.3Å; R45-Y110 HydrophobicContact CG-CD1 3.9Å; R45-Y110 HydrophobicContact CG-CD2 4.23Å; R45-Y110 HydrophobicContact CG-CE1 4.45Å; R45-Y110 HydrophobicContact CG-CG 3.78Å; R45-Y110 VanDerWaalsContact O-CB 3.27Å; R45-Y110 WeakPolarHBondContact O-CB 3.47Å
46V94.9Very high89.2Confident2 Ų250.2 Ų50.21%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-124157.2177.9-60.80000109.5Y20 S36 A37 D39 V48 F81 V107Y20-V46 HydrophobicContact CD1-CG2 3.87Å; Y20-V46 HydrophobicContact CE1-CG2 3.94Å; S36-V46 CarbonylContact C-O 3.56Å; S36-V46 WeakPolarHBondContact CA-O 3.32Å; A37-V46 HydrophobicContact CB-CG2 4.06Å; A37-V46 PolarHBondContact N-O 2.71Å; A37-V46 PolarHBondContact O-N 3Å; D39-V46 HydrophobicContact CB-CG1 4.22Å; V46-V48 HydrophobicContact CG2-CG2 4.09Å; V46-F81 HydrophobicContact CG1-CD2 4.04Å; V46-F81 HydrophobicContact CG1-CE2 3.93Å; V46-V107 HydrophobicContact CB-CG1 3.95Å; V46-V107 HydrophobicContact CG1-CG1 4.27Å; V46-V107 HydrophobicContact CG2-CG1 3.9Å
47A94.2Very high88.5Confident4 Ų453.7 Ų53.73%0.03329%0.286CS..EExtended strand (participates in β ladder)trans-97.3142.5165.400000110L26 V34 F35 Q108L26-A47 HydrophobicContact CD1-CB 4.19Å; V34-A47 HydrophobicContact CG1-CB 4.43Å; F35-A47 CarbonylContact O-C 3.48Å; F35-A47 WeakPolarHBondContact O-CA 3.4Å; A47-Q108 HydrophobicContact CB-CG 3.79Å; A47-Q108 PolarHBondContact N-O 3.15Å; A47-Q108 PolarHBondContact O-N 3.43Å
48V91.9Very high87.8Confident0 Ų054.6 Ų54.60%029%0.292CS..EExtended strand (participates in β ladder)trans-129.3110.2-179.1-169.50000109.5L16 V34 F35 A37 V46 Y105 I106 V107L16-V48 HydrophobicContact CD1-CG1 4.03Å; L16-V48 HydrophobicContact CD2-CG1 4.05Å; V34-V48 WeakPolarHBondContact CA-O 3.49Å; F35-V48 PolarHBondContact N-O 2.95Å; F35-V48 PolarHBondContact O-N 2.65Å; A37-V48 HydrophobicContact CB-CG2 4.16Å; V46-V48 HydrophobicContact CG2-CG2 4.09Å; V48-Y105 HydrophobicContact CG1-CD1 4.23Å; V48-I106 WeakPolarHBondContact CA-O 3.5Å; V48-V107 HydrophobicContact CG1-CG2 4.4Å; V48-V107 HydrophobicContact CG2-CG2 4.39Å
49K89.8Confident87.2Confident9 Ų954.1 Ų54.14%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-94.4119.1175.5172.9179.7168.4-175.30109.1V34 I51 E65 Y105 I106 D171V34-K49 HydrophobicContact CG2-CB 4.15Å; V34-K49 HydrophobicContact CG2-CG 4.29Å; K49-I51 HydrophobicContact CG-CG1 4.4Å; K49-E65 IonicContact NZ-OE1 2.73Å; K49-E65 PolarHBondContact NZ-OE1 3.15Å; K49-E65 IonicContact NZ-OE2 2.77Å; K49-E65 PolarHBondContact NZ-OE2 2.89Å; K49-Y105 WeakPolarHBondContact O-CA 3.47Å; K49-I106 HydrophobicContact CB-CB 4.45Å; K49-I106 PolarHBondContact N-O 2.76Å; K49-I106 PolarHBondContact O-N 3.46Å; K49-D171 IonicContact NZ-OD1 2.91Å; K49-D171 PolarHBondContact NZ-OD1 2.83Å
50K87.6Confident86.4Confident19 Ų1956.4 Ų56.48%0.08330%0.298CS..EExtended strand (participates in β ladder)trans-93.1114173.5-175.2-177.2-172.5170.40110.8H12 G13 F14 L33 S103 V104 Y105H12-K50 PolarHBondContact O-NZ 3.23Å; G13-K50 PolarHBondContact O-NZ 3.5Å; F14-K50 HydrophobicContact CD2-CD 4.15Å; F14-K50 HydrophobicContact CE1-CB 3.71Å; F14-K50 HydrophobicContact CE1-CD 4.41Å; F14-K50 HydrophobicContact CE2-CB 4.08Å; F14-K50 HydrophobicContact CE2-CD 3.75Å; F14-K50 HydrophobicContact CZ-CB 3.34Å; F14-K50 HydrophobicContact CZ-CD 3.9Å; F14-K50 HydrophobicContact CZ-CG 4.21Å; L33-K50 PolarHBondContact O-N 3.31Å; L33-K50 VanDerWaalsContact O-N 3.12Å; K50-S103 VanDerWaalsContact CE-OG 3.29Å; K50-S103 WeakPolarHBondContact CE-OG 3.49Å; K50-V104 WeakPolarHBondContact CA-O 3.47Å; K50-Y105 HydrophobicContact CB-CD1 3.83Å; K50-Y105 HydrophobicContact CB-CE1 3.93Å; K50-Y105 HydrophobicContact CD-CD1 4.3Å; K50-Y105 HydrophobicContact CD-CE1 3.53Å; K50-Y105 WeakPolarHBondContact CE-OH 3.32Å; K50-Y105 HydrophobicContact CG-CD1 3.85Å; K50-Y105 HydrophobicContact CG-CE1 3.58Å; K50-Y105 PolarHBondContact NZ-OH 2.89Å
51I85.2Confident85.8Confident18 Ų1855.3 Ų55.39%0.09229%0.288CS..EExtended strand (participates in β ladder)trans-92.1132.1167.7-55.5-179.5000108.1K49 L53 A62 S103 V104 I106K49-I51 HydrophobicContact CG-CG1 4.4Å; I51-L53 HydrophobicContact CG2-CD2 4.08Å; I51-A62 HydrophobicContact CD1-CB 4.4Å; I51-A62 HydrophobicContact CG2-CB 4.1Å; I51-S103 CarbonylContact O-C 3.6Å; I51-S103 VanDerWaalsContact O-CA 3.22Å; I51-S103 WeakPolarHBondContact O-CA 3.16Å; I51-S103 VanDerWaalsContact O-CB 3.29Å; I51-S103 WeakPolarHBondContact O-CB 3.41Å; I51-V104 PolarHBondContact N-O 2.95Å; I51-V104 PolarHBondContact O-N 3.3Å; I51-I106 HydrophobicContact CD1-CD1 3.6Å; I51-I106 HydrophobicContact CG1-CD1 4.4Å
52I83.6Confident85.4Confident83 Ų8349.8 Ų49.843%0.42626%0.259SS..EExtended strand (participates in β ladder)trans-98.1134175.1-52.2178.7000108T54I52-T54 HydrophobicContact CG2-CG2 4.02Å
53L84Confident84.9Confident17 Ų1746.7 Ų46.79%0.08924%0.238CC..  trans-103.296.8-179.5-61.1-168.7000109I51 V59 A62 L98 V101 N102 V104I51-L53 HydrophobicContact CG2-CD2 4.08Å; L53-V59 HydrophobicContact CB-CG2 4.11Å; L53-V59 HydrophobicContact CD1-CG1 4.2Å; L53-V59 HydrophobicContact CD1-CG2 4.2Å; L53-V59 HydrophobicContact CD2-CG2 4.24Å; L53-V59 HydrophobicContact CG-CG2 4.4Å; L53-A62 HydrophobicContact CD2-CB 3.69Å; L53-L98 WeakPolarHBondContact CD1-O 3.4Å; L53-V101 HydrophobicContact CD1-CG2 4.35Å; L53-V101 WeakPolarHBondContact CD1-O 3.22Å; L53-N102 PolarHBondContact N-O 3.02Å; L53-V104 HydrophobicContact CD1-CG2 3.85Å; L53-V104 HydrophobicContact CG-CG2 4.39Å
54T81.9Confident84.6Confident111 Ų11141.4 Ų41.468%0.68121%0.207SC*.  trans-100.7-26.2-175.138.90000114.2I52 S58I52-T54 HydrophobicContact CG2-CG2 4.02Å; T54-S58 PolarHBondContact N-OG 2.9Å
55D78.8Confident84.3Confident66 Ų6635 Ų3535%0.35318%0.18SC..SBendtrans-161.4160-165.661.884.6000111Q57 S58 V59D55-Q57 PolarHBondContact O-N 3.23Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.32Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.32Å; D55-Q57 PolarHBondContact OD1-N 3.18Å; D55-S58 PolarHBondContact N-OG 3.15Å; D55-S58 VanDerWaalsContact N-OG 3.11Å; D55-S58 PolarHBondContact O-N 3Å; D55-S58 VanDerWaalsContact O-N 3.07Å; D55-S58 PolarHBondContact O-OG 2.96Å; D55-S58 PolarHBondContact OD1-N 3.44Å; D55-S58 PolarHBondContact OD2-OG 3.13Å; D55-V59 PolarHBondContact O-N 3.01Å
56P75.6Confident83.9Confident65 Ų6531.2 Ų31.242%0.42217%0.166SC..Hα-helixtrans-58.9-23.9-177.1-26.836000115.1K60P56-K60 WeakPolarHBondContact O-CB 3.38Å; P56-K60 VanDerWaalsContact O-CG 3.26Å; P56-K60 WeakPolarHBondContact O-CG 3.38Å; P56-K60 PolarHBondContact O-N 3.1Å; P56-K60 VanDerWaalsContact O-N 3.1Å
57Q76.9Confident83.5Confident77 Ų7733.8 Ų33.836%0.3618%0.177SC..Hα-helixtrans-77.1-41.1176.4-166.9-178.91.600111.2D55 V59 K60 H61 S189D55-Q57 PolarHBondContact O-N 3.23Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.32Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.32Å; D55-Q57 PolarHBondContact OD1-N 3.18Å; Q57-V59 VanDerWaalsContact C-N 3.29Å; Q57-V59 PolarHBondContact O-N 3.28Å; Q57-K60 PolarHBondContact O-N 3.19Å; Q57-H61 PolarHBondContact NE2-CE1 2.98Å; Q57-H61 VanDerWaalsContact NE2-CE1 3.34Å; Q57-H61 PolarHBondContact NE2-NE2 3.43Å; Q57-H61 VanDerWaalsContact NE2-NE2 3.17Å; Q57-H61 PolarHBondContact O-CD2 3.36Å; Q57-H61 VanDerWaalsContact O-CD2 3.31Å; Q57-H61 PolarHBondContact O-N 2.93Å; Q57-S189 PolarHBondContact NE2-OG 3.21Å; Q57-S189 PolarHBondContact OE1-OG 3.36Å
58S78.8Confident83.3Confident19 Ų1933.6 Ų33.613%0.13318%0.175CC..Hα-helixtrans-57.1-41.1172.471.90000112T54 D55 H61 A62T54-S58 PolarHBondContact N-OG 2.9Å; D55-S58 PolarHBondContact N-OG 3.15Å; D55-S58 VanDerWaalsContact N-OG 3.11Å; D55-S58 PolarHBondContact O-N 3Å; D55-S58 VanDerWaalsContact O-N 3.07Å; D55-S58 PolarHBondContact O-OG 2.96Å; D55-S58 PolarHBondContact OD1-N 3.44Å; D55-S58 PolarHBondContact OD2-OG 3.13Å; S58-H61 PolarHBondContact O-N 3.12Å; S58-A62 WeakPolarHBondContact O-CB 3.38Å; S58-A62 PolarHBondContact O-N 3.04Å
59V80.1Confident83.2Confident15 Ų1534.1 Ų34.19%0.09118%0.178CC..Hα-helixtrans-69-42.6176.1-1630000111.5L53 D55 Q57 H61 A62 L63 L98 M344L53-V59 HydrophobicContact CB-CG2 4.11Å; L53-V59 HydrophobicContact CD1-CG1 4.2Å; L53-V59 HydrophobicContact CD1-CG2 4.2Å; L53-V59 HydrophobicContact CD2-CG2 4.24Å; L53-V59 HydrophobicContact CG-CG2 4.4Å; D55-V59 PolarHBondContact O-N 3.01Å; Q57-V59 VanDerWaalsContact C-N 3.29Å; Q57-V59 PolarHBondContact O-N 3.28Å; V59-H61 VanDerWaalsContact C-N 3.25Å; V59-H61 PolarHBondContact O-N 2.73Å; V59-A62 PolarHBondContact O-N 2.91Å; V59-L63 HydrophobicContact CG1-CD1 4.14Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 PolarHBondContact O-N 3.37Å; V59-L98 HydrophobicContact CG1-CB 4.49Å; V59-M344 HydrophobicContact CB-CE 3.61Å; V59-M344 HydrophobicContact CB-SD 4.38Å; V59-M344 HydrophobicContact CG1-CE 3.36Å
60K78.1Confident83Confident57 Ų5738.5 Ų38.525%0.24820%0.195CC..Hα-helixtrans-61.9-30.6173.7-73.8174.3-177.4-1740113P56 Q57 R64 I341 M344P56-K60 WeakPolarHBondContact O-CB 3.38Å; P56-K60 VanDerWaalsContact O-CG 3.26Å; P56-K60 WeakPolarHBondContact O-CG 3.38Å; P56-K60 PolarHBondContact O-N 3.1Å; P56-K60 VanDerWaalsContact O-N 3.1Å; Q57-K60 PolarHBondContact O-N 3.19Å; K60-R64 PolarHBondContact O-N 3.2Å; K60-R64 PolarHBondContact O-NH1 3.49Å; K60-I341 HydrophobicContact CD-CG1 4.39Å; K60-M344 HydrophobicContact CD-SD 4.1Å; K60-M344 WeakPolarHBondContact CE-SD 3.08Å; K60-M344 HydrophobicContact CG-CE 4.16Å; K60-M344 HydrophobicContact CG-SD 3.53Å; K60-M344 VanDerWaalsContact CG-SD 3.53Å
61H79.8Confident83.1Confident49 Ų4941.7 Ų41.723%0.22721%0.206CC..Hα-helixtrans-74.5-46.2173.9-70.4-169.3000111.1Q57 S58 V59 R64 E65Q57-H61 PolarHBondContact NE2-CE1 2.98Å; Q57-H61 VanDerWaalsContact NE2-CE1 3.34Å; Q57-H61 PolarHBondContact NE2-NE2 3.43Å; Q57-H61 VanDerWaalsContact NE2-NE2 3.17Å; Q57-H61 PolarHBondContact O-CD2 3.36Å; Q57-H61 VanDerWaalsContact O-CD2 3.31Å; Q57-H61 PolarHBondContact O-N 2.93Å; S58-H61 PolarHBondContact O-N 3.12Å; V59-H61 VanDerWaalsContact C-N 3.25Å; V59-H61 PolarHBondContact O-N 2.73Å; H61-R64 PolarHBondContact O-N 3.37Å; H61-E65 PolarHBondContact O-N 3.44Å
62A82.6Confident83.4Confident2 Ų241.3 Ų41.32%0.01720%0.204CC..Hα-helixtrans-61.9-47.117800000112.9I51 L53 S58 V59 R64 E65 I66I51-A62 HydrophobicContact CD1-CB 4.4Å; I51-A62 HydrophobicContact CG2-CB 4.1Å; L53-A62 HydrophobicContact CD2-CB 3.69Å; S58-A62 WeakPolarHBondContact O-CB 3.38Å; S58-A62 PolarHBondContact O-N 3.04Å; V59-A62 PolarHBondContact O-N 2.91Å; A62-R64 PolarHBondContact O-N 3.46Å; A62-E65 PolarHBondContact O-N 2.99Å; A62-I66 WeakPolarHBondContact O-CB 3.31Å; A62-I66 WeakPolarHBondContact O-CD1 3.23Å; A62-I66 WeakPolarHBondContact O-CG1 3.45Å; A62-I66 PolarHBondContact O-N 3.18Å
63L81.1Confident83.9Confident3 Ų341.9 Ų41.92%0.01621%0.208CC..Hα-helixtrans-54.1-49.6175.2-90.7160.8000111.8V59 I66 K67 V95 L98 D340 M344V59-L63 HydrophobicContact CG1-CD1 4.14Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 PolarHBondContact O-N 3.37Å; L63-I66 PolarHBondContact O-N 2.96Å; L63-K67 WeakPolarHBondContact O-CB 3.15Å; L63-K67 WeakPolarHBondContact O-CG 3.44Å; L63-K67 PolarHBondContact O-N 3.44Å; L63-V95 HydrophobicContact CD1-CG1 4.38Å; L63-V95 HydrophobicContact CD1-CG2 4.16Å; L63-V95 HydrophobicContact CD2-CG2 4.41Å; L63-L98 HydrophobicContact CD2-CD1 3.36Å; L63-L98 HydrophobicContact CG-CD1 3.91Å; L63-D340 HydrophobicContact CD1-CB 4.16Å; L63-M344 HydrophobicContact CD1-CE 3.29Å
64R84.6Confident84.5Confident25 Ų2541.6 Ų41.69%0.09421%0.206CC..Hα-helixtrans-64.2-43.8179.6-166.7-162.4-6688.27.7111.7K60 H61 A62 I66 K67 I68 A175 R176 E337K60-R64 PolarHBondContact O-N 3.2Å; K60-R64 PolarHBondContact O-NH1 3.49Å; H61-R64 PolarHBondContact O-N 3.37Å; A62-R64 PolarHBondContact O-N 3.46Å; R64-I66 PolarHBondContact O-N 3Å; R64-K67 PolarHBondContact O-N 3.4Å; R64-I68 HydrophobicContact CG-CD1 3.86Å; R64-I68 WeakPolarHBondContact O-CB 3.48Å; R64-I68 VanDerWaalsContact O-CG1 3.29Å; R64-I68 WeakPolarHBondContact O-CG1 3.43Å; R64-I68 PolarHBondContact O-N 3.25Å; R64-A175 WeakPolarHBondContact CD-O 3.02Å; R64-R176 VanDerWaalsContact NH2-CZ 3.33Å; R64-E337 IonicContact CZ-OE1 2.95Å; R64-E337 VanDerWaalsContact CZ-OE1 3.24Å; R64-E337 IonicContact NE-OE1 3.52Å; R64-E337 PolarHBondContact NE-OE1 2.88Å; R64-E337 IonicContact NE-OE2 3.24Å; R64-E337 PolarHBondContact NE-OE2 2.98Å; R64-E337 IonicContact NH2-OE1 3.73Å; R64-E337 PolarHBondContact NH2-OE1 3.35Å
65E87.3Confident85.2Confident9 Ų939.7 Ų39.74%0.04219%0.192CC..Hα-helixtrans-58.6-49.8176.2-165.1-177.6160.700110.1K49 H61 A62 I68 I69 F172 G173K49-E65 IonicContact NZ-OE1 2.73Å; K49-E65 PolarHBondContact NZ-OE1 3.15Å; K49-E65 IonicContact NZ-OE2 2.77Å; K49-E65 PolarHBondContact NZ-OE2 2.89Å; H61-E65 PolarHBondContact O-N 3.44Å; A62-E65 PolarHBondContact O-N 2.99Å; E65-I68 PolarHBondContact O-N 3.06Å; E65-I69 HydrophobicContact CG-CD1 4.25Å; E65-I69 HydrophobicContact CG-CG2 4.28Å; E65-I69 WeakPolarHBondContact O-CD1 3.37Å; E65-I69 VanDerWaalsContact O-CG1 3.24Å; E65-I69 WeakPolarHBondContact O-CG1 3.39Å; E65-I69 WeakPolarHBondContact O-CG2 3.29Å; E65-I69 PolarHBondContact O-N 3.37Å; E65-F172 HydrophobicContact CG-CB 4.13Å; E65-G173 WeakPolarHBondContact OE2-CA 3.36Å
66I86.3Confident86.2Confident6 Ų636.8 Ų36.83%0.03118%0.176CC..Hα-helixtrans-60.4-47.1179.9-70164.1000112.3A62 L63 R64 I68 R70 T83 L98 V104 I106A62-I66 WeakPolarHBondContact O-CB 3.31Å; A62-I66 WeakPolarHBondContact O-CD1 3.23Å; A62-I66 WeakPolarHBondContact O-CG1 3.45Å; A62-I66 PolarHBondContact O-N 3.18Å; L63-I66 PolarHBondContact O-N 2.96Å; R64-I66 PolarHBondContact O-N 3Å; I66-I68 VanDerWaalsContact C-N 3.33Å; I66-I68 PolarHBondContact O-N 3.43Å; I66-R70 HydrophobicContact CG2-CG 4.46Å; I66-R70 WeakPolarHBondContact O-CB 3.45Å; I66-R70 WeakPolarHBondContact O-CD 3.28Å; I66-R70 VanDerWaalsContact O-CG 3.28Å; I66-R70 WeakPolarHBondContact O-CG 3.46Å; I66-R70 PolarHBondContact O-N 2.71Å; I66-R70 VanDerWaalsContact O-N 3.13Å; I66-T83 HydrophobicContact CG1-CG2 4.2Å; I66-T83 HydrophobicContact CG2-CG2 4.08Å; I66-L98 HydrophobicContact CD1-CD1 4.46Å; I66-L98 HydrophobicContact CD1-CD2 4.16Å; I66-V104 HydrophobicContact CD1-CG1 3.88Å; I66-I106 HydrophobicContact CG1-CD1 4.43Å
67K86.2Confident87.2Confident55 Ų5534 Ų3424%0.23916%0.157CC..Hα-helixtrans-61.5-39.6177-82.1178.2165175.20112.2L63 R64 D336 D340L63-K67 WeakPolarHBondContact O-CB 3.15Å; L63-K67 WeakPolarHBondContact O-CG 3.44Å; L63-K67 PolarHBondContact O-N 3.44Å; R64-K67 PolarHBondContact O-N 3.4Å; K67-D336 WeakPolarHBondContact CD-O 3.37Å; K67-D336 PolarHBondContact NZ-O 3.19Å; K67-D340 WeakPolarHBondContact CE-OD2 3.5Å; K67-D340 IonicContact NZ-OD1 3.88Å; K67-D340 PolarHBondContact NZ-OD1 2.87Å; K67-D340 IonicContact NZ-OD2 2.88Å; K67-D340 PolarHBondContact NZ-OD2 3.42Å
68I89.8Confident88.1Confident0 Ų030.6 Ų30.60%014%0.142CC..Hα-helixtrans-69.5-56.3178.4-71.1172.8000110.5R64 E65 I66 R70 R71 L72 V148 F172 A175 F332R64-I68 HydrophobicContact CG-CD1 3.86Å; R64-I68 WeakPolarHBondContact O-CB 3.48Å; R64-I68 VanDerWaalsContact O-CG1 3.29Å; R64-I68 WeakPolarHBondContact O-CG1 3.43Å; R64-I68 PolarHBondContact O-N 3.25Å; E65-I68 PolarHBondContact O-N 3.06Å; I66-I68 VanDerWaalsContact C-N 3.33Å; I66-I68 PolarHBondContact O-N 3.43Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 2.98Å; I68-R71 PolarHBondContact O-N 2.91Å; I68-L72 HydrophobicContact CG2-CD1 3.58Å; I68-L72 HydrophobicContact CG2-CG 4.23Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.15Å; I68-L72 VanDerWaalsContact O-N 3.15Å; I68-V148 HydrophobicContact CD1-CG1 4.18Å; I68-V148 HydrophobicContact CG1-CG2 4.46Å; I68-V148 HydrophobicContact CG2-CG1 4.1Å; I68-V148 HydrophobicContact CG2-CG2 4.42Å; I68-F172 HydrophobicContact CG2-CB 4.44Å; I68-F172 HydrophobicContact CG2-CD1 3.8Å; I68-F172 HydrophobicContact CG2-CE1 4.39Å; I68-F172 HydrophobicContact CG2-CG 4.29Å; I68-A175 HydrophobicContact CD1-CB 3.74Å; I68-F332 HydrophobicContact CB-CZ 4.5Å; I68-F332 HydrophobicContact CG1-CE1 4.34Å; I68-F332 HydrophobicContact CG1-CZ 4.31Å
69I88.4Confident88.9Confident12 Ų1233.5 Ų33.56%0.06215%0.153CC..Hα-helixtrans-68.8-24-172.169.8-162.4000114.3E65 R71 V80 I106 F172E65-I69 HydrophobicContact CG-CD1 4.25Å; E65-I69 HydrophobicContact CG-CG2 4.28Å; E65-I69 WeakPolarHBondContact O-CD1 3.37Å; E65-I69 VanDerWaalsContact O-CG1 3.24Å; E65-I69 WeakPolarHBondContact O-CG1 3.39Å; E65-I69 WeakPolarHBondContact O-CG2 3.29Å; E65-I69 PolarHBondContact O-N 3.37Å; I69-R71 VanDerWaalsContact C-N 3.32Å; I69-V80 HydrophobicContact CB-CG2 3.79Å; I69-V80 HydrophobicContact CD1-CG1 4.48Å; I69-V80 HydrophobicContact CD1-CG2 3.82Å; I69-V80 HydrophobicContact CG1-CB 4.26Å; I69-V80 HydrophobicContact CG1-CG1 4.38Å; I69-V80 HydrophobicContact CG1-CG2 3.73Å; I69-I106 HydrophobicContact CD1-CD1 3.74Å; I69-I106 HydrophobicContact CD1-CG1 4.27Å; I69-I106 HydrophobicContact CD1-CG2 3.83Å; I69-F172 HydrophobicContact CG2-CB 3.81Å; I69-F172 HydrophobicContact CG2-CD2 3.76Å; I69-F172 HydrophobicContact CG2-CG 3.94Å
70R86.6Confident89.4Confident101 Ų10133.9 Ų33.938%0.38116%0.155SC..THydrogen-bonded Turntrans-75-19.4175.8-76.1170.664.8127.3-1.5113.6I66 I68 T83 L91 E93I66-R70 HydrophobicContact CG2-CG 4.46Å; I66-R70 WeakPolarHBondContact O-CB 3.45Å; I66-R70 WeakPolarHBondContact O-CD 3.28Å; I66-R70 VanDerWaalsContact O-CG 3.28Å; I66-R70 WeakPolarHBondContact O-CG 3.46Å; I66-R70 PolarHBondContact O-N 2.71Å; I66-R70 VanDerWaalsContact O-N 3.13Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 2.98Å; R70-T83 PolarHBondContact NH1-OG1 3.16Å; R70-L91 PolarHBondContact NH1-O 3.16Å; R70-E93 IonicContact CZ-OE1 3.01Å; R70-E93 IonicContact NE-OE1 2.7Å; R70-E93 PolarHBondContact NE-OE1 3.09Å; R70-E93 VanDerWaalsContact NH2-CD 3.34Å; R70-E93 VanDerWaalsContact NH2-CG 3.26Å; R70-E93 IonicContact NH2-OE1 2.93Å; R70-E93 PolarHBondContact NH2-OE1 3.36Å
71R89.1Confident90.1Very high86 Ų8636.3 Ų36.333%0.32517%0.165SC..THydrogen-bonded Turntrans-114.3-11.2-172.9169.4172.9165.6-165.6-2.8113.6I68 I69 H330 P331 F332 D336I68-R71 PolarHBondContact O-N 2.91Å; I69-R71 VanDerWaalsContact C-N 3.32Å; R71-H330 PolarHBondContact NE-O 2.83Å; R71-H330 PolarHBondContact NH2-O 3.14Å; R71-P331 VanDerWaalsContact NH2-C 3.26Å; R71-P331 PolarHBondContact NH2-O 3.04Å; R71-F332 HydrophobicContact CB-CE1 4.48Å; R71-F332 HydrophobicContact CB-CZ 3.81Å; R71-F332 HydrophobicContact CG-CE1 4.34Å; R71-F332 HydrophobicContact CG-CE2 4.12Å; R71-F332 HydrophobicContact CG-CZ 3.69Å; R71-D336 IonicContact NH1-OD1 2.64Å; R71-D336 PolarHBondContact NH1-OD1 3.05Å; R71-D336 VanDerWaalsContact NH1-OD1 3.14Å; R71-D336 IonicContact NH1-OD2 3.94Å; R71-D336 PolarHBondContact NH1-OD2 2.91Å
72L92.7Very high90.5Very high10 Ų1035.2 Ų35.25%0.05216%0.16CC..  trans-84.7116.2165.9-63.4175.8000109.9I68 I77 Y142 I143 A146 F172 F332I68-L72 HydrophobicContact CG2-CD1 3.58Å; I68-L72 HydrophobicContact CG2-CG 4.23Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.15Å; I68-L72 VanDerWaalsContact O-N 3.15Å; L72-I77 HydrophobicContact CB-CD1 4.17Å; L72-I77 HydrophobicContact CB-CG2 4.44Å; L72-I77 HydrophobicContact CD1-CD1 4.36Å; L72-Y142 HydrophobicContact CB-CE1 4.24Å; L72-Y142 HydrophobicContact CD2-CD1 4.06Å; L72-Y142 HydrophobicContact CD2-CE1 3.68Å; L72-I143 HydrophobicContact CD1-CG1 4.37Å; L72-A146 HydrophobicContact CD2-CB 3.94Å; L72-F172 HydrophobicContact CD1-CD1 4.16Å; L72-F172 HydrophobicContact CD1-CE1 3.51Å; L72-F172 HydrophobicContact CD1-CZ 3.78Å; L72-F332 HydrophobicContact CD2-CE2 4.37Å
73D94.1Very high90.9Very high94 Ų9435.3 Ų35.350%0.50316%0.161SC..  trans-128.9106.4172.9-164.617.4000110.5K79 Y142D73-K79 IonicContact OD1-NZ 3.63Å; D73-K79 PolarHBondContact OD1-NZ 2.66Å; D73-K79 IonicContact OD2-NZ 2.71Å; D73-K79 PolarHBondContact OD2-NZ 3.44Å; D73-Y142 PolarHBondContact N-OH 2.84Å; D73-Y142 PolarHBondContact O-OH 3.3Å; D73-Y142 VanDerWaalsContact O-OH 3.12Å
74H96.8Very high91.3Very high11 Ų1135.2 Ų35.25%0.05116%0.161CC..  trans-161.2143.2-172.1-178.5-98.1000110.4N76 I77 R138 Y142H74-N76 VanDerWaalsContact C-N 3.27Å; H74-N76 PolarHBondContact CE1-OD1 2.65Å; H74-N76 PolarHBondContact ND1-N 3.49Å; H74-N76 PolarHBondContact O-N 3.35Å; H74-I77 HydrophobicContact CB-CB 4.35Å; H74-I77 HydrophobicContact CB-CD1 3.77Å; H74-I77 HydrophobicContact CB-CG1 3.97Å; H74-I77 PolarHBondContact O-N 2.81Å; H74-R138 PolarHBondContact CE1-NH1 2.88Å; H74-R138 PolarHBondContact NE2-NH1 2.82Å; H74-Y142 HydrophobicContact CB-CD1 3.88Å; H74-Y142 HydrophobicContact CB-CD2 4.1Å; H74-Y142 HydrophobicContact CB-CE1 4.07Å; H74-Y142 HydrophobicContact CB-CE2 4.27Å; H74-Y142 HydrophobicContact CB-CG 3.88Å; H74-Y142 AromaticContact CD2-CD2 3.7Å; H74-Y142 AromaticContact CD2-CG 3.84Å; H74-Y142 AromaticContact CG-CG 3.88Å
75D96.7Very high91.5Very high72 Ų7234 Ų3439%0.38516%0.156SC..THydrogen-bonded Turntrans-63.4-33-169-36.7-68.9000113I77 R138 K168D75-I77 VanDerWaalsContact C-N 3.31Å; D75-I77 PolarHBondContact O-N 2.87Å; D75-R138 IonicContact OD2-CZ 3.51Å; D75-R138 VanDerWaalsContact OD2-CZ 3.29Å; D75-R138 IonicContact OD2-NH1 3.59Å; D75-R138 PolarHBondContact OD2-NH1 3.05Å; D75-R138 IonicContact OD2-NH2 2.65Å; D75-R138 PolarHBondContact OD2-NH2 3.23Å; D75-K168 WeakPolarHBondContact O-CD 3.12Å; D75-K168 WeakPolarHBondContact O-CE 3.5Å; D75-K168 WeakPolarHBondContact O-CG 3.49Å; D75-K168 PolarHBondContact O-NZ 3.19Å
76N98.1Very high91.3Very high5 Ų535.5 Ų35.53%0.02717%0.166CC..THydrogen-bonded Turntrans-91.422.2177.4-51.9107.7000114H74 Q135 R138 L167 K168 I169H74-N76 VanDerWaalsContact C-N 3.27Å; H74-N76 PolarHBondContact CE1-OD1 2.65Å; H74-N76 PolarHBondContact ND1-N 3.49Å; H74-N76 PolarHBondContact O-N 3.35Å; N76-Q135 WeakPolarHBondContact CB-O 3.4Å; N76-Q135 WeakPolarHBondContact ND2-CB 3.34Å; N76-Q135 PolarHBondContact ND2-OE1 3.24Å; N76-R138 WeakPolarHBondContact OD1-CD 3.27Å; N76-R138 PolarHBondContact OD1-NH1 3.09Å; N76-L167 WeakPolarHBondContact CA-O 3.31Å; N76-L167 WeakPolarHBondContact CB-O 3.48Å; N76-L167 PolarHBondContact ND2-O 2.76Å; N76-K168 WeakPolarHBondContact O-CA 3.43Å; N76-I169 PolarHBondContact O-N 2.9Å
77I97.6Very high91.1Very high5 Ų539 Ų393%0.02619%0.191CC..BIsolated β-bridgetrans-124.4139.2172.2-58.9179.8000107.7L72 H74 D75 K79 Y142 I143 F172L72-I77 HydrophobicContact CB-CD1 4.17Å; L72-I77 HydrophobicContact CB-CG2 4.44Å; L72-I77 HydrophobicContact CD1-CD1 4.36Å; H74-I77 HydrophobicContact CB-CB 4.35Å; H74-I77 HydrophobicContact CB-CD1 3.77Å; H74-I77 HydrophobicContact CB-CG1 3.97Å; H74-I77 PolarHBondContact O-N 2.81Å; D75-I77 VanDerWaalsContact C-N 3.31Å; D75-I77 PolarHBondContact O-N 2.87Å; I77-K79 PolarHBondContact O-N 3.44Å; I77-K79 VanDerWaalsContact O-N 3.08Å; I77-Y142 HydrophobicContact CD1-CD1 3.67Å; I77-Y142 HydrophobicContact CD1-CE1 4.23Å; I77-I143 HydrophobicContact CD1-CD1 4.01Å; I77-I143 HydrophobicContact CD1-CG1 3.54Å; I77-I143 HydrophobicContact CG1-CD1 4.28Å; I77-I143 HydrophobicContact CG1-CG1 4.34Å; I77-F172 HydrophobicContact CG2-CE2 3.83Å; I77-F172 HydrophobicContact CG2-CZ 3.84Å
78V95.8Very high90.9Very high7 Ų737.6 Ų37.64%0.04219%0.191CC..  trans-63.7110.3177.7172.80000109.6V80 Q108 E109 F159 K168 I169V78-V80 PolarHBondContact O-N 2.99Å; V78-Q108 HydrophobicContact CG1-CB 4.05Å; V78-Q108 HydrophobicContact CG1-CG 4.03Å; V78-E109 WeakPolarHBondContact CA-OE1 3.29Å; V78-E109 HydrophobicContact CG1-CG 4.16Å; V78-F159 HydrophobicContact CG2-CB 4.47Å; V78-F159 HydrophobicContact CG2-CD2 3.64Å; V78-F159 HydrophobicContact CG2-CE2 4.33Å; V78-F159 HydrophobicContact CG2-CG 4.34Å; V78-K168 HydrophobicContact CG2-CB 3.86Å; V78-I169 WeakPolarHBondContact CG2-O 3.36Å; V78-I169 PolarHBondContact N-O 3.2Å
79K94.4Very high90.6Very high80 Ų8046.6 Ų46.635%0.34823%0.225SC..  trans-70.3125.6-177.9-164.2-177.9-171.7860110.7D73 I77 F81 Q108 E109D73-K79 IonicContact OD1-NZ 3.63Å; D73-K79 PolarHBondContact OD1-NZ 2.66Å; D73-K79 IonicContact OD2-NZ 2.71Å; D73-K79 PolarHBondContact OD2-NZ 3.44Å; I77-K79 PolarHBondContact O-N 3.44Å; I77-K79 VanDerWaalsContact O-N 3.08Å; K79-F81 HydrophobicContact CD-CE1 4.15Å; K79-Q108 CarbonylContact O-C 3.59Å; K79-Q108 WeakPolarHBondContact O-CA 3.47Å; K79-Q108 WeakPolarHBondContact O-CB 3.22Å; K79-E109 HydrophobicContact CB-CG 4.38Å; K79-E109 PolarHBondContact N-OE1 3.33Å; K79-E109 PolarHBondContact O-N 3.05Å
80V92.6Very high90.3Very high23 Ų2355 Ų5514%0.13926%0.256CS..EExtended strand (participates in β ladder)trans-91.1132.5170.9175.10000109.4I69 V78 I106 Q108I69-V80 HydrophobicContact CB-CG2 3.79Å; I69-V80 HydrophobicContact CD1-CG1 4.48Å; I69-V80 HydrophobicContact CD1-CG2 3.82Å; I69-V80 HydrophobicContact CG1-CB 4.26Å; I69-V80 HydrophobicContact CG1-CG1 4.38Å; I69-V80 HydrophobicContact CG1-CG2 3.73Å; V78-V80 PolarHBondContact O-N 2.99Å; V80-I106 HydrophobicContact CG1-CG2 3.85Å; V80-I106 HydrophobicContact CG2-CG2 3.87Å; V80-Q108 HydrophobicContact CG2-CB 4.09Å
81F91.4Very high89.7Confident107 Ų10751.2 Ų51.247%0.46924%0.243SC..EExtended strand (participates in β ladder)trans-91.5-48.5179-58.7-48.7000111.5V46 K79 V107 E109V46-F81 HydrophobicContact CG1-CD2 4.04Å; V46-F81 HydrophobicContact CG1-CE2 3.93Å; K79-F81 HydrophobicContact CD-CE1 4.15Å; F81-V107 HydrophobicContact CD2-CG1 4.4Å; F81-V107 PolarHBondContact N-O 3.21Å; F81-E109 HydrophobicContact CE2-CB 4.04Å; F81-E109 HydrophobicContact CZ-CB 3.71Å
82E89.3Confident88.7Confident26 Ų2651.1 Ų51.112%0.12125%0.253CS..EExtended strand (participates in β ladder)trans-161164.7176.860.2-164.3113.200113.5R19 Y20 L84 R90 V107R19-E82 IonicContact CZ-OE1 2.67Å; R19-E82 VanDerWaalsContact NH1-CD 3.31Å; R19-E82 IonicContact NH1-OE1 3.27Å; R19-E82 PolarHBondContact NH1-OE1 2.85Å; R19-E82 IonicContact NH1-OE2 3.09Å; R19-E82 PolarHBondContact NH1-OE2 3.18Å; R19-E82 IonicContact NH2-OE1 2.93Å; R19-E82 PolarHBondContact NH2-OE1 3.31Å; Y20-E82 PolarHBondContact OH-OE1 2.66Å; E82-L84 HydrophobicContact CG-CD2 4.11Å; E82-L84 HydrophobicContact CG-CG 4.3Å; E82-R90 VanDerWaalsContact OE2-CD 3.29Å; E82-R90 WeakPolarHBondContact OE2-CD 3.08Å; E82-R90 WeakPolarHBondContact OE2-CG 3.12Å; E82-R90 IonicContact OE2-NE 2.59Å; E82-R90 IonicContact OE2-NH1 3.01Å; E82-V107 HydrophobicContact CG-CB 4.2Å; E82-V107 HydrophobicContact CG-CG2 4.37Å; E82-V107 PolarHBondContact N-O 3.37Å; E82-V107 PolarHBondContact O-N 3.33Å
83T89.6Confident87.3Confident4 Ų456.3 Ų56.33%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-120123.6177.952.10000110.3I66 R70 L91 I106I66-T83 HydrophobicContact CG1-CG2 4.2Å; I66-T83 HydrophobicContact CG2-CG2 4.08Å; R70-T83 PolarHBondContact NH1-OG1 3.16Å; T83-L91 PolarHBondContact O-N 3.39Å; T83-I106 HydrophobicContact CG2-CG1 4.4Å
84L89.9Confident85.9Confident2 Ų254.9 Ų54.91%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-120147-171.1-53.5174.1000111.5L16 Y20 E82 R89 R90 V104 Y105 V107L16-L84 HydrophobicContact CD2-CD1 4.22Å; Y20-L84 HydrophobicContact CD2-CD1 4.16Å; Y20-L84 HydrophobicContact CE2-CD1 3.44Å; Y20-L84 VanDerWaalsContact CE2-CD1 3.44Å; E82-L84 HydrophobicContact CG-CD2 4.11Å; E82-L84 HydrophobicContact CG-CG 4.3Å; L84-R89 CarbonylContact C-O 3.59Å; L84-R89 VanDerWaalsContact CA-O 3.25Å; L84-R89 WeakPolarHBondContact CA-O 3.4Å; L84-R90 HydrophobicContact CD2-CB 4.39Å; L84-R90 HydrophobicContact CD2-CG 3.6Å; L84-V104 CarbonylContact O-C 3.59Å; L84-V104 WeakPolarHBondContact O-CA 3.5Å; L84-Y105 PolarHBondContact N-O 2.75Å; L84-Y105 PolarHBondContact O-N 2.7Å; L84-V107 HydrophobicContact CD1-CG2 3.7Å; L84-V107 HydrophobicContact CG-CG2 4.23Å
85G88.1Confident84.2Confident0 Ų055 Ų550%027%0.271CS..  trans-96.1-167.5164.400000111.6G88 R89G85-G88 PolarHBondContact O-N 3.13Å; G85-R89 PolarHBondContact N-O 2.95Å
86P84.6Confident82.6Confident39 Ų3954.1 Ų54.125%0.25327%0.273SS..G310 helixtrans-55159.3172.1-24.435.6000113.3D15 G88 R89 V101D15-P86 WeakPolarHBondContact OD2-CB 3.35Å; P86-G88 PolarHBondContact O-N 3.47Å; P86-G88 VanDerWaalsContact O-N 3.11Å; P86-R89 WeakPolarHBondContact O-CG 3.48Å; P86-R89 PolarHBondContact O-N 3.41Å; P86-R89 VanDerWaalsContact O-N 3.12Å; P86-V101 HydrophobicContact CG-CB 4.46Å; P86-V101 HydrophobicContact CG-CG1 4.44Å
87C81.8Confident81.1Confident81 Ų8155.3 Ų55.355%0.54728%0.281SS..G310 helixtrans5219-168.7-53.80000114.9D15 R89D15-C87 PolarHBondContact O-N 3.23Å; D15-C87 WeakPolarHBondContact OD1-CA 3.38Å; D15-C87 PolarHBondContact OD1-N 3.26Å; D15-C87 PolarHBondContact OD2-N 3.28Å; C87-R89 VanDerWaalsContact C-N 3.28Å; C87-R89 PolarHBondContact O-N 2.98Å
88G81.2Confident79.7Confident24 Ų2455.2 Ų55.225%0.24728%0.281CS..G310 helixtrans66.222.9-173.100000114.7D15 G85 P86 R90D15-G88 PolarHBondContact O-N 2.85Å; G85-G88 PolarHBondContact O-N 3.13Å; P86-G88 PolarHBondContact O-N 3.47Å; P86-G88 VanDerWaalsContact O-N 3.11Å; G88-R90 PolarHBondContact O-N 3.33Å
89R83.9Confident78.3Confident189 Ų18958.5 Ų58.571%0.71330%0.301SS*.PPolyproline II helixtrans-66.3131.2175.2-69.4180177.6-132.50.7110.3L84 G85 P86 C87L84-R89 CarbonylContact C-O 3.59Å; L84-R89 VanDerWaalsContact CA-O 3.25Å; L84-R89 WeakPolarHBondContact CA-O 3.4Å; G85-R89 PolarHBondContact N-O 2.95Å; P86-R89 WeakPolarHBondContact O-CG 3.48Å; P86-R89 PolarHBondContact O-N 3.41Å; P86-R89 VanDerWaalsContact O-N 3.12Å; C87-R89 VanDerWaalsContact C-N 3.28Å; C87-R89 PolarHBondContact O-N 2.98Å
90R81.9Confident77.3Confident190 Ų19062.5 Ų62.572%0.71732%0.321SS*.BIsolated β-bridgetrans-65.4136.5168.4-87.8-171.3-82.2-144-0110.7E82 L84 G88E82-R90 VanDerWaalsContact OE2-CD 3.29Å; E82-R90 WeakPolarHBondContact OE2-CD 3.08Å; E82-R90 WeakPolarHBondContact OE2-CG 3.12Å; E82-R90 IonicContact OE2-NE 2.59Å; E82-R90 IonicContact OE2-NH1 3.01Å; L84-R90 HydrophobicContact CD2-CB 4.39Å; L84-R90 HydrophobicContact CD2-CG 3.6Å; G88-R90 PolarHBondContact O-N 3.33Å
91L75.3Confident76.5Confident20 Ų2062.4 Ų62.411%0.10532%0.321CS..PPolyproline II helixtrans-98.8134.2175.2-63.7171000110.5R70 T83 L98 V101 V104R70-L91 PolarHBondContact NH1-O 3.16Å; T83-L91 PolarHBondContact O-N 3.39Å; L91-L98 HydrophobicContact CD1-CD2 3.88Å; L91-V101 HydrophobicContact CD1-CG2 4.4Å; L91-V101 HydrophobicContact CD2-CG1 4.37Å; L91-V104 HydrophobicContact CD1-CB 4.47Å; L91-V104 HydrophobicContact CD1-CG1 3.94Å; L91-V104 HydrophobicContact CD1-CG2 3.97Å
92T67.7Low76.1Confident85 Ų8563.7 Ų63.752%0.52133%0.332SS..PPolyproline II helixtrans-78.2170.7165.636.80000110.7D94 S97T92-D94 VanDerWaalsContact C-N 3.27Å; T92-D94 WeakPolarHBondContact CB-OD1 3.4Å; T92-D94 PolarHBondContact O-N 3.45Å; T92-D94 PolarHBondContact OG1-OD1 2.85Å; T92-S97 PolarHBondContact OG1-OG 2.96Å
93E61.9Low75.9Confident119 Ų11962.9 Ų62.956%0.55633%0.329SS*.SBendtrans-84.20.6-169.1-62.6178.7167.700113.7R70R70-E93 IonicContact CZ-OE1 3.01Å; R70-E93 IonicContact NE-OE1 2.7Å; R70-E93 PolarHBondContact NE-OE1 3.09Å; R70-E93 VanDerWaalsContact NH2-CD 3.34Å; R70-E93 VanDerWaalsContact NH2-CG 3.26Å; R70-E93 IonicContact NH2-OE1 2.93Å; R70-E93 PolarHBondContact NH2-OE1 3.36Å
94D64.8Low75.9Confident63 Ų6362.7 Ų62.734%0.33733%0.328SS..SBendtrans-78.2144.5-178.858.8-74.8000113.2T92 A96 S97T92-D94 VanDerWaalsContact C-N 3.27Å; T92-D94 WeakPolarHBondContact CB-OD1 3.4Å; T92-D94 PolarHBondContact O-N 3.45Å; T92-D94 PolarHBondContact OG1-OD1 2.85Å; D94-A96 PolarHBondContact O-N 3.18Å; D94-S97 VanDerWaalsContact CG-OG 3.24Å; D94-S97 PolarHBondContact O-N 3.4Å; D94-S97 PolarHBondContact OD1-OG 3.07Å; D94-S97 VanDerWaalsContact OD1-OG 3.09Å; D94-S97 VanDerWaalsContact OD2-CB 3.23Å; D94-S97 WeakPolarHBondContact OD2-CB 3.45Å; D94-S97 PolarHBondContact OD2-N 3.21Å; D94-S97 PolarHBondContact OD2-OG 2.66Å
95V61.4Low75.9Confident15 Ų1562.7 Ų62.79%0.09133%0.328CS..Hα-helixtrans-58.9-34.8178-179.90000111.7L63 L98 T99 D340 L343 M344L63-V95 HydrophobicContact CD1-CG1 4.38Å; L63-V95 HydrophobicContact CD1-CG2 4.16Å; L63-V95 HydrophobicContact CD2-CG2 4.41Å; V95-L98 CarbonylContact O-C 3.53Å; V95-L98 PolarHBondContact O-N 2.99Å; V95-T99 HydrophobicContact CG1-CG2 4.07Å; V95-T99 WeakPolarHBondContact O-CG2 3.31Å; V95-T99 PolarHBondContact O-N 3.3Å; V95-T99 PolarHBondContact O-OG1 3.14Å; V95-D340 HydrophobicContact CG2-CB 3.85Å; V95-D340 WeakPolarHBondContact CG2-OD1 3.14Å; V95-L343 HydrophobicContact CB-CD1 4.35Å; V95-L343 HydrophobicContact CG1-CB 4.47Å; V95-L343 HydrophobicContact CG2-CD1 3.88Å; V95-M344 HydrophobicContact CG1-CE 4.03Å; V95-M344 HydrophobicContact CG1-CG 4.15Å
96A62.7Low76Confident53 Ų5362.7 Ų62.744%0.43833%0.328SS..Hα-helixtrans-59.7-53.7-178.500000111.8D94 L98 T99 E100D94-A96 PolarHBondContact O-N 3.18Å; A96-L98 PolarHBondContact O-N 2.9Å; A96-L98 VanDerWaalsContact O-N 3.09Å; A96-T99 WeakPolarHBondContact CA-OG1 3.31Å; A96-T99 PolarHBondContact O-N 3.37Å; A96-T99 PolarHBondContact O-OG1 2.89Å; A96-E100 PolarHBondContact O-N 3Å; A96-E100 VanDerWaalsContact O-N 3.08Å
97S67.5Low76.4Confident29 Ų2960.8 Ų60.820%0.20332%0.316CS..Hα-helixtrans-56.6-26.8176.8-640000113.7T92 D94T92-S97 PolarHBondContact OG1-OG 2.96Å; D94-S97 VanDerWaalsContact CG-OG 3.24Å; D94-S97 PolarHBondContact O-N 3.4Å; D94-S97 PolarHBondContact OD1-OG 3.07Å; D94-S97 VanDerWaalsContact OD1-OG 3.09Å; D94-S97 VanDerWaalsContact OD2-CB 3.23Å; D94-S97 WeakPolarHBondContact OD2-CB 3.45Å; D94-S97 PolarHBondContact OD2-N 3.21Å; D94-S97 PolarHBondContact OD2-OG 2.66Å
98L68.6Low77Confident4 Ų458 Ų582%0.02130%0.295CS..Hα-helixtrans-89.9-25.2177.1-78.7161000113.6L53 V59 L63 I66 L91 V95 A96 V104L53-L98 WeakPolarHBondContact CD1-O 3.4Å; V59-L98 HydrophobicContact CG1-CB 4.49Å; L63-L98 HydrophobicContact CD2-CD1 3.36Å; L63-L98 HydrophobicContact CG-CD1 3.91Å; I66-L98 HydrophobicContact CD1-CD1 4.46Å; I66-L98 HydrophobicContact CD1-CD2 4.16Å; L91-L98 HydrophobicContact CD1-CD2 3.88Å; V95-L98 CarbonylContact O-C 3.53Å; V95-L98 PolarHBondContact O-N 2.99Å; A96-L98 PolarHBondContact O-N 2.9Å; A96-L98 VanDerWaalsContact O-N 3.09Å; L98-V104 HydrophobicContact CD2-CG2 3.37Å
99T66.7Low77.6Confident75 Ų7558.5 Ų58.546%0.4629%0.291SS..Hα-helixtrans-77-20.9170.253.20000113.9V95 A96 V101V95-T99 HydrophobicContact CG1-CG2 4.07Å; V95-T99 WeakPolarHBondContact O-CG2 3.31Å; V95-T99 PolarHBondContact O-N 3.3Å; V95-T99 PolarHBondContact O-OG1 3.14Å; A96-T99 WeakPolarHBondContact CA-OG1 3.31Å; A96-T99 PolarHBondContact O-N 3.37Å; A96-T99 PolarHBondContact O-OG1 2.89Å; T99-V101 VanDerWaalsContact C-N 3.33Å
100E71.8Confident78.1Confident164 Ų16453.6 Ų53.677%0.76627%0.273SS*.THydrogen-bonded Turntrans-80.2-7177.5-72.4-173.5-17000114.3A96A96-E100 PolarHBondContact O-N 3Å; A96-E100 VanDerWaalsContact O-N 3.08Å
101V77.6Confident78.6Confident22 Ų2245.7 Ų45.713%0.13324%0.244CC..  trans-122.8132.6-172.6-62.70000113.8L53 P86 L91 T99 S103 V104L53-V101 HydrophobicContact CD1-CG2 4.35Å; L53-V101 WeakPolarHBondContact CD1-O 3.22Å; P86-V101 HydrophobicContact CG-CB 4.46Å; P86-V101 HydrophobicContact CG-CG1 4.44Å; L91-V101 HydrophobicContact CD1-CG2 4.4Å; L91-V101 HydrophobicContact CD2-CG1 4.37Å; T99-V101 VanDerWaalsContact C-N 3.33Å; V101-S103 PolarHBondContact O-N 2.89Å; V101-V104 HydrophobicContact CG2-CG2 4.27Å
102N82.4Confident79.3Confident133 Ų13348 Ų4871%0.71126%0.255SS*.SBendtrans-75.8-7.5178.4-62.7-14000113.9L53L53-N102 PolarHBondContact N-O 3.02Å
103S85.4Confident80.5Confident9 Ų944.4 Ų44.46%0.06323%0.233CC..EExtended strand (participates in β ladder)trans-163.9148178.261.30000112.5K50 I51 V101K50-S103 VanDerWaalsContact CE-OG 3.29Å; K50-S103 WeakPolarHBondContact CE-OG 3.49Å; I51-S103 CarbonylContact O-C 3.6Å; I51-S103 VanDerWaalsContact O-CA 3.22Å; I51-S103 WeakPolarHBondContact O-CA 3.16Å; I51-S103 VanDerWaalsContact O-CB 3.29Å; I51-S103 WeakPolarHBondContact O-CB 3.41Å; V101-S103 PolarHBondContact O-N 2.89Å
104V88.1Confident82.1Confident0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-117.2145.1174.7-176.60000109.5K50 I51 L53 I66 L84 L91 L98 V101K50-V104 WeakPolarHBondContact CA-O 3.47Å; I51-V104 PolarHBondContact N-O 2.95Å; I51-V104 PolarHBondContact O-N 3.3Å; L53-V104 HydrophobicContact CD1-CG2 3.85Å; L53-V104 HydrophobicContact CG-CG2 4.39Å; I66-V104 HydrophobicContact CD1-CG1 3.88Å; L84-V104 CarbonylContact O-C 3.59Å; L84-V104 WeakPolarHBondContact O-CA 3.5Å; L91-V104 HydrophobicContact CD1-CB 4.47Å; L91-V104 HydrophobicContact CD1-CG1 3.94Å; L91-V104 HydrophobicContact CD1-CG2 3.97Å; L98-V104 HydrophobicContact CD2-CG2 3.37Å; V101-V104 HydrophobicContact CG2-CG2 4.27Å
105Y89.9Confident83.5Confident2 Ų236.8 Ų36.81%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-114.3118.8172.5-52.4-92.7000108.9G13 F14 D15 L16 V48 K49 K50 L84G13-Y105 PolarHBondContact O-OH 2.61Å; F14-Y105 HydrophobicContact CD1-CD1 4.11Å; F14-Y105 AromaticContact CD1-CE1 3.69Å; F14-Y105 HydrophobicContact CD1-CE1 3.69Å; F14-Y105 HydrophobicContact CE1-CD1 4.11Å; F14-Y105 AromaticContact CE1-CE1 3.98Å; F14-Y105 HydrophobicContact CE1-CE1 3.98Å; F14-Y105 HydrophobicContact CG-CE1 4.14Å; D15-Y105 PolarHBondContact N-OH 3.24Å; L16-Y105 HydrophobicContact CD2-CD1 3.62Å; L16-Y105 HydrophobicContact CD2-CD2 3.87Å; L16-Y105 HydrophobicContact CD2-CE1 4.19Å; L16-Y105 HydrophobicContact CD2-CE2 4.44Å; L16-Y105 HydrophobicContact CD2-CG 3.44Å; L16-Y105 VanDerWaalsContact CD2-CG 3.44Å; L16-Y105 HydrophobicContact CG-CD1 4.17Å; L16-Y105 HydrophobicContact CG-CE1 4.32Å; L16-Y105 HydrophobicContact CG-CG 4.41Å; V48-Y105 HydrophobicContact CG1-CD1 4.23Å; K49-Y105 WeakPolarHBondContact O-CA 3.47Å; K50-Y105 HydrophobicContact CB-CD1 3.83Å; K50-Y105 HydrophobicContact CB-CE1 3.93Å; K50-Y105 HydrophobicContact CD-CD1 4.3Å; K50-Y105 HydrophobicContact CD-CE1 3.53Å; K50-Y105 WeakPolarHBondContact CE-OH 3.32Å; K50-Y105 HydrophobicContact CG-CD1 3.85Å; K50-Y105 HydrophobicContact CG-CE1 3.58Å; K50-Y105 PolarHBondContact NZ-OH 2.89Å; L84-Y105 PolarHBondContact N-O 2.75Å; L84-Y105 PolarHBondContact O-N 2.7Å
106I90.9Very high85.1Confident0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-91.9117.1171.9-61168000106.8V48 K49 I51 I66 I69 V80 T83V48-I106 WeakPolarHBondContact CA-O 3.5Å; K49-I106 HydrophobicContact CB-CB 4.45Å; K49-I106 PolarHBondContact N-O 2.76Å; K49-I106 PolarHBondContact O-N 3.46Å; I51-I106 HydrophobicContact CD1-CD1 3.6Å; I51-I106 HydrophobicContact CG1-CD1 4.4Å; I66-I106 HydrophobicContact CG1-CD1 4.43Å; I69-I106 HydrophobicContact CD1-CD1 3.74Å; I69-I106 HydrophobicContact CD1-CG1 4.27Å; I69-I106 HydrophobicContact CD1-CG2 3.83Å; V80-I106 HydrophobicContact CG1-CG2 3.85Å; V80-I106 HydrophobicContact CG2-CG2 3.87Å; T83-I106 HydrophobicContact CG2-CG1 4.4Å
107V92.9Very high86.5Confident0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-96.9118175.3-174.40000108.2Y20 V46 V48 F81 E82 L84Y20-V107 HydrophobicContact CE1-CG1 3.82Å; Y20-V107 HydrophobicContact CE1-CG2 4.32Å; Y20-V107 HydrophobicContact CE2-CG2 4.46Å; V46-V107 HydrophobicContact CB-CG1 3.95Å; V46-V107 HydrophobicContact CG1-CG1 4.27Å; V46-V107 HydrophobicContact CG2-CG1 3.9Å; V48-V107 HydrophobicContact CG1-CG2 4.4Å; V48-V107 HydrophobicContact CG2-CG2 4.39Å; F81-V107 HydrophobicContact CD2-CG1 4.4Å; F81-V107 PolarHBondContact N-O 3.21Å; E82-V107 HydrophobicContact CG-CB 4.2Å; E82-V107 HydrophobicContact CG-CG2 4.37Å; E82-V107 PolarHBondContact N-O 3.37Å; E82-V107 PolarHBondContact O-N 3.33Å; L84-V107 HydrophobicContact CD1-CG2 3.7Å; L84-V107 HydrophobicContact CG-CG2 4.23Å
108Q94.2Very high87.7Confident23 Ų2338.9 Ų38.911%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-132.8169.1-173.171.9-171.427.600111A47 V78 K79 V80A47-Q108 HydrophobicContact CB-CG 3.79Å; A47-Q108 PolarHBondContact N-O 3.15Å; A47-Q108 PolarHBondContact O-N 3.43Å; V78-Q108 HydrophobicContact CG1-CB 4.05Å; V78-Q108 HydrophobicContact CG1-CG 4.03Å; K79-Q108 CarbonylContact O-C 3.59Å; K79-Q108 WeakPolarHBondContact O-CA 3.47Å; K79-Q108 WeakPolarHBondContact O-CB 3.22Å; V80-Q108 HydrophobicContact CG2-CB 4.09Å
109E93.6Very high89Confident33 Ų3339.3 Ų39.315%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-59.1140.8176.268.9-171.514900112.1V78 K79 F81 M111 K168V78-E109 WeakPolarHBondContact CA-OE1 3.29Å; V78-E109 HydrophobicContact CG1-CG 4.16Å; K79-E109 HydrophobicContact CB-CG 4.38Å; K79-E109 PolarHBondContact N-OE1 3.33Å; K79-E109 PolarHBondContact O-N 3.05Å; F81-E109 HydrophobicContact CE2-CB 4.04Å; F81-E109 HydrophobicContact CZ-CB 3.71Å; E109-M111 HydrophobicContact CG-SD 4.36Å; E109-K168 WeakPolarHBondContact OE1-CD 3.24Å; E109-K168 WeakPolarHBondContact OE1-CE 3.49Å; E109-K168 IonicContact OE1-NZ 2.91Å; E109-K168 PolarHBondContact OE1-NZ 2.9Å; E109-K168 IonicContact OE2-NZ 3.68Å; E109-K168 PolarHBondContact OE2-NZ 2.88Å
110Y94.1Very high90.2Very high86 Ų8643.4 Ų43.434%0.33721%0.213SC..  trans-77.9132173.7175.1-113.1000109.6L26 R45L26-Y110 HydrophobicContact CD1-CD2 3.94Å; L26-Y110 HydrophobicContact CD1-CE2 3.83Å; L26-Y110 HydrophobicContact CD2-CE2 3.81Å; L26-Y110 HydrophobicContact CG-CE2 4.48Å; R45-Y110 HydrophobicContact CB-CD1 4.16Å; R45-Y110 HydrophobicContact CB-CG 4.3Å; R45-Y110 HydrophobicContact CG-CD1 3.9Å; R45-Y110 HydrophobicContact CG-CD2 4.23Å; R45-Y110 HydrophobicContact CG-CE1 4.45Å; R45-Y110 HydrophobicContact CG-CG 3.78Å; R45-Y110 VanDerWaalsContact O-CB 3.27Å; R45-Y110 WeakPolarHBondContact O-CB 3.47Å
111M93.3Very high91.1Very high24 Ų2440.6 Ų40.612%0.11820%0.196CC..  trans-118.1140.6174.8-62.8-67.1-66.500108.7E109 F159 N161 K168E109-M111 HydrophobicContact CG-SD 4.36Å; M111-F159 HydrophobicContact CB-CB 3.7Å; M111-F159 HydrophobicContact CB-CD1 4.21Å; M111-F159 HydrophobicContact CB-CG 4.22Å; M111-F159 HydrophobicContact CE-CB 3.85Å; M111-F159 HydrophobicContact CG-CB 3.63Å; M111-F159 HydrophobicContact CG-CG 4.23Å; M111-N161 HydrophobicContact CE-CB 4.28Å; M111-K168 HydrophobicContact CE-CB 4.14Å; M111-K168 HydrophobicContact CE-CD 4.11Å; M111-K168 HydrophobicContact CE-CG 3.83Å; M111-K168 HydrophobicContact SD-CD 3.93Å; M111-K168 HydrophobicContact SD-CG 4.32Å
112E90.3Very high91.8Very high69 Ų6940.3 Ų40.332%0.32220%0.197SC..SBendtrans-63-48.8-174.1-171.2-153.1155.600112.1T162E112-T162 VanDerWaalsContact CD-OG1 3.3Å; E112-T162 PolarHBondContact OE1-OG1 3.41Å; E112-T162 VanDerWaalsContact OE2-CB 3.22Å; E112-T162 WeakPolarHBondContact OE2-CB 3.41Å; E112-T162 VanDerWaalsContact OE2-CG2 3.31Å; E112-T162 WeakPolarHBondContact OE2-CG2 3.39Å; E112-T162 PolarHBondContact OE2-N 3.35Å; E112-T162 PolarHBondContact OE2-OG1 3.48Å
113T92.6Very high92.3Very high10 Ų1037.1 Ų37.16%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-149.8-177.6-175.6-160.70000111.5Q117 L118 V160 T162T113-Q117 WeakPolarHBondContact OG1-CB 3.48Å; T113-Q117 PolarHBondContact OG1-OE1 3.36Å; T113-L118 HydrophobicContact CG2-CD1 4.09Å; T113-L118 HydrophobicContact CG2-CD2 3.99Å; T113-L118 HydrophobicContact CG2-CG 3.89Å; T113-V160 HydrophobicContact CG2-CB 4.26Å; T113-V160 PolarHBondContact N-O 2.81Å; T113-V160 VanDerWaalsContact N-O 3.16Å; T113-V160 PolarHBondContact O-N 2.8Å; T113-T162 HydrophobicContact CG2-CG2 3.87Å
114D94.5Very high92.8Very high21 Ų2137.3 Ų37.311%0.11218%0.183CC..EExtended strand (participates in β ladder)trans-124.7162.1173.469.270.2000110.8C116 Q117 L118 L158 F159D114-C116 PolarHBondContact O-N 2.76Å; D114-C116 VanDerWaalsContact OD1-CA 3.28Å; D114-C116 WeakPolarHBondContact OD1-CA 3.25Å; D114-C116 WeakPolarHBondContact OD1-CB 3.32Å; D114-C116 PolarHBondContact OD1-N 2.81Å; D114-Q117 PolarHBondContact O-N 3.03Å; D114-Q117 PolarHBondContact OD1-N 2.97Å; D114-Q117 PolarHBondContact OD2-NE2 3.12Å; D114-L118 PolarHBondContact O-N 3.07Å; D114-L158 WeakPolarHBondContact CA-O 3.41Å; D114-F159 HydrophobicContact CB-CD1 4.16Å; D114-F159 HydrophobicContact CB-CE1 4.39Å
115L95.7Very high93.1Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-65.6-24.8-175.5-17265.3000112.2L118 L119 M124 F132 P155 L158 I221 M225L115-L118 HydrophobicContact CD1-CD1 4.46Å; L115-L118 PolarHBondContact O-N 3.41Å; L115-L119 HydrophobicContact CD1-CD1 4.4Å; L115-L119 HydrophobicContact CD1-CG 4.42Å; L115-L119 HydrophobicContact CD2-CD1 4.39Å; L115-L119 HydrophobicContact CG-CD1 3.8Å; L115-L119 HydrophobicContact CG-CG 4.29Å; L115-L119 WeakPolarHBondContact O-CB 3.39Å; L115-L119 WeakPolarHBondContact O-CD1 3.42Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.2Å; L115-M124 HydrophobicContact CD1-SD 4.01Å; L115-F132 HydrophobicContact CD1-CD2 3.93Å; L115-F132 HydrophobicContact CD1-CE2 4.26Å; L115-P155 HydrophobicContact CB-CB 4Å; L115-P155 WeakPolarHBondContact CB-O 3.26Å; L115-P155 HydrophobicContact CD2-CB 4.31Å; L115-P155 HydrophobicContact CG-CB 4.16Å; L115-P155 PolarHBondContact N-O 3.41Å; L115-L158 HydrophobicContact CB-CB 4.17Å; L115-L158 HydrophobicContact CD2-CB 4.39Å; L115-L158 HydrophobicContact CD2-CD1 4.05Å; L115-L158 PolarHBondContact N-O 3.43Å; L115-I221 HydrophobicContact CD2-CG2 3.65Å; L115-M225 HydrophobicContact CD1-CG 4.12Å; L115-M225 HydrophobicContact CD1-SD 3.87Å; L115-M225 HydrophobicContact CD2-CG 3.93Å; L115-M225 HydrophobicContact CD2-SD 3.71Å; L115-M225 HydrophobicContact CG-CG 4.4Å; L115-M225 HydrophobicContact CG-SD 4.38Å
116C94.1Very high93.4Very high49 Ų4942 Ų4233%0.33121%0.211SC..Hα-helixtrans-66.2-47.2174.2-159.50000111D114 L118 L119 E120 P155 A156D114-C116 PolarHBondContact O-N 2.76Å; D114-C116 VanDerWaalsContact OD1-CA 3.28Å; D114-C116 WeakPolarHBondContact OD1-CA 3.25Å; D114-C116 WeakPolarHBondContact OD1-CB 3.32Å; D114-C116 PolarHBondContact OD1-N 2.81Å; C116-L118 PolarHBondContact O-N 3.4Å; C116-L119 PolarHBondContact O-N 3.42Å; C116-L119 VanDerWaalsContact O-N 3.14Å; C116-E120 WeakPolarHBondContact O-CG 3.32Å; C116-E120 PolarHBondContact O-N 3.35Å; C116-P155 HydrophobicContact CB-CB 3.99Å; C116-A156 HydrophobicContact CB-CB 4.09Å
117Q92.6Very high93.7Very high90 Ų9043.5 Ų43.542%0.42123%0.227SC..Hα-helixtrans-64.2-23.9176.9-69.3-178.254.900114.1T113 D114 R121T113-Q117 WeakPolarHBondContact OG1-CB 3.48Å; T113-Q117 PolarHBondContact OG1-OE1 3.36Å; D114-Q117 PolarHBondContact O-N 3.03Å; D114-Q117 PolarHBondContact OD1-N 2.97Å; D114-Q117 PolarHBondContact OD2-NE2 3.12Å; Q117-R121 PolarHBondContact O-NE 2.91Å; Q117-R121 VanDerWaalsContact O-NE 3.16Å
118L93.4Very high93.8Very high2 Ų245 Ų451%0.0123%0.233CC..Hα-helixtrans-77-44.3171-68.1176.3000111.2T113 D114 L115 C116 E120 R121 F132 V160 T162 F538 F541T113-L118 HydrophobicContact CG2-CD1 4.09Å; T113-L118 HydrophobicContact CG2-CD2 3.99Å; T113-L118 HydrophobicContact CG2-CG 3.89Å; D114-L118 PolarHBondContact O-N 3.07Å; L115-L118 HydrophobicContact CD1-CD1 4.46Å; L115-L118 PolarHBondContact O-N 3.41Å; C116-L118 PolarHBondContact O-N 3.4Å; L118-E120 PolarHBondContact O-N 3.17Å; L118-R121 VanDerWaalsContact O-CB 3.29Å; L118-R121 WeakPolarHBondContact O-CB 3.33Å; L118-R121 WeakPolarHBondContact O-CG 3.2Å; L118-R121 PolarHBondContact O-N 3.02Å; L118-R121 VanDerWaalsContact O-N 3.1Å; L118-F132 HydrophobicContact CD1-CE2 4.28Å; L118-V160 HydrophobicContact CD1-CB 3.9Å; L118-V160 HydrophobicContact CD1-CG1 3.85Å; L118-V160 HydrophobicContact CD1-CG2 3.96Å; L118-T162 HydrophobicContact CD1-CG2 4.48Å; L118-T162 HydrophobicContact CD2-CG2 4.12Å; L118-F538 HydrophobicContact CD2-CE2 4.47Å; L118-F541 HydrophobicContact CD2-CE1 3.82Å
119L94.6Very high94Very high14 Ų1443.9 Ų43.97%0.07323%0.228CC..Hα-helixtrans-71.9-25.7-177.1-66.8165.9000113.8L115 C116 R121 G122 M124 P155 E224 M225L115-L119 HydrophobicContact CD1-CD1 4.4Å; L115-L119 HydrophobicContact CD1-CG 4.42Å; L115-L119 HydrophobicContact CD2-CD1 4.39Å; L115-L119 HydrophobicContact CG-CD1 3.8Å; L115-L119 HydrophobicContact CG-CG 4.29Å; L115-L119 WeakPolarHBondContact O-CB 3.39Å; L115-L119 WeakPolarHBondContact O-CD1 3.42Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.2Å; C116-L119 PolarHBondContact O-N 3.42Å; C116-L119 VanDerWaalsContact O-N 3.14Å; L119-R121 PolarHBondContact O-N 3.48Å; L119-R121 VanDerWaalsContact O-N 3.09Å; L119-G122 PolarHBondContact O-N 3.05Å; L119-M124 HydrophobicContact CD2-CG 4.29Å; L119-P155 HydrophobicContact CD1-CB 4.03Å; L119-P155 HydrophobicContact CD1-CG 4.09Å; L119-E224 HydrophobicContact CD1-CG 4.03Å; L119-M225 HydrophobicContact CD2-CB 4.49Å; L119-M225 HydrophobicContact CD2-CG 4.29Å
120E92.8Very high94.2Very high160 Ų16044 Ų4475%0.74823%0.227SC*.THydrogen-bonded Turntrans-56.1-21167.7-77.7-175.7177.600113.3C116 L118C116-E120 WeakPolarHBondContact O-CG 3.32Å; C116-E120 PolarHBondContact O-N 3.35Å; L118-E120 PolarHBondContact O-N 3.17Å
121R90.2Very high94.4Very high106 Ų10640.5 Ų40.540%0.421%0.214SC..THydrogen-bonded Turntrans-88.9-22.2179.2-48.5178.7-168.9-1592.1112.6Q117 L118 L119 F536Q117-R121 PolarHBondContact O-NE 2.91Å; Q117-R121 VanDerWaalsContact O-NE 3.16Å; L118-R121 VanDerWaalsContact O-CB 3.29Å; L118-R121 WeakPolarHBondContact O-CB 3.33Å; L118-R121 WeakPolarHBondContact O-CG 3.2Å; L118-R121 PolarHBondContact O-N 3.02Å; L118-R121 VanDerWaalsContact O-N 3.1Å; L119-R121 PolarHBondContact O-N 3.48Å; L119-R121 VanDerWaalsContact O-N 3.09Å; R121-F536 HydrophobicContact CB-CD1 3.72Å; R121-F536 HydrophobicContact CB-CD2 4.25Å; R121-F536 HydrophobicContact CB-CE1 3.53Å; R121-F536 HydrophobicContact CB-CE2 4.1Å; R121-F536 HydrophobicContact CB-CG 4.08Å; R121-F536 HydrophobicContact CB-CZ 3.75Å; R121-F536 HydrophobicContact CG-CE1 4.48Å; R121-F536 HydrophobicContact CG-CZ 4.36Å; R121-F536 VanDerWaalsContact O-CB 3.23Å; R121-F536 WeakPolarHBondContact O-CB 3.15Å; R121-F536 WeakPolarHBondContact O-CG 3.42Å
122G91.7Very high94.6Very high15 Ų1539.3 Ų39.316%0.15521%0.209CC..  trans145.3-178.8178.600000114.1L119L119-G122 PolarHBondContact O-N 3.05Å
123P94.2Very high95Very high67 Ų6736 Ų3644%0.43519%0.193SC..PPolyproline II helixtrans-61.5152.6168.927.1-34.7000111.9
124M94.6Very high95.3Very high12 Ų1236.2 Ų36.26%0.05919%0.193CC..PPolyproline II helixtrans-87.2161.7171-55.9-173.778.100110.9L115 L119 H128 A129 F132 M225 F538L115-M124 HydrophobicContact CD1-SD 4.01Å; L119-M124 HydrophobicContact CD2-CG 4.29Å; M124-H128 HydrophobicContact CB-CB 4.49Å; M124-H128 HydrophobicContact CE-CB 3.79Å; M124-A129 HydrophobicContact CB-CB 4.43Å; M124-F132 HydrophobicContact CE-CD2 3.49Å; M124-F132 VanDerWaalsContact CE-CD2 3.49Å; M124-F132 HydrophobicContact CE-CE2 3.28Å; M124-F132 HydrophobicContact CE-CG 4.42Å; M124-F132 HydrophobicContact CE-CZ 4.07Å; M124-F132 HydrophobicContact SD-CD2 3.88Å; M124-F132 HydrophobicContact SD-CE2 4.16Å; M124-M225 PolarHBondContact N-O 3.33Å; M124-M225 HydrophobicContact SD-CB 4.14Å; M124-M225 HydrophobicContact SD-CG 3.95Å; M124-M225 HydrophobicContact SD-SD 3.88Å; M124-F538 HydrophobicContact CE-CD2 4.24Å; M124-F538 HydrophobicContact CE-CE1 4.03Å; M124-F538 HydrophobicContact CE-CE2 3.49Å; M124-F538 VanDerWaalsContact CE-CE2 3.49Å; M124-F538 HydrophobicContact CE-CZ 3.36Å
125S95.5Very high95.5Very high47 Ų4736 Ų3633%0.32919%0.191SC..PPolyproline II helixtrans-67.2150166.372.70000110.4G127 H128 A129S125-G127 PolarHBondContact O-N 3.39Å; S125-H128 PolarHBondContact O-N 3.26Å; S125-H128 VanDerWaalsContact O-N 3.1Å; S125-H128 PolarHBondContact OG-ND1 2.98Å; S125-A129 PolarHBondContact O-N 2.83Å
126E95.6Very high95.6Very high53 Ų5336.1 Ų36.125%0.24819%0.192CC..Hα-helixtrans-58.6-33.9-176.8-175.1175.3135.100112.3A129 R130 L226 S286 Y315E126-A129 PolarHBondContact O-N 3.45Å; E126-R130 WeakPolarHBondContact O-CB 3.42Å; E126-R130 PolarHBondContact O-N 2.92Å; E126-R130 IonicContact OE1-CZ 2.83Å; E126-R130 IonicContact OE1-NH2 3.97Å; E126-R130 PolarHBondContact OE1-NH2 2.83Å; E126-L226 HydrophobicContact CB-CD2 4.22Å; E126-L226 HydrophobicContact CG-CD2 4.01Å; E126-S286 VanDerWaalsContact CD-OG 3.26Å; E126-S286 WeakPolarHBondContact OE1-CB 3.44Å; E126-S286 PolarHBondContact OE1-OG 2.78Å; E126-S286 WeakPolarHBondContact OE2-CB 3.34Å; E126-S286 PolarHBondContact OE2-OG 2.72Å; E126-S286 VanDerWaalsContact OE2-OG 3.12Å; E126-Y315 VanDerWaalsContact CG-OH 3.25Å; E126-Y315 WeakPolarHBondContact CG-OH 3.4Å; E126-Y315 WeakPolarHBondContact OE1-CE2 3.29Å
127G96.7Very high95.9Very high33 Ų3333.8 Ų33.834%0.3418%0.176SC..Hα-helixtrans-62.7-48.4174.600000112.8S125 R130 L131S125-G127 PolarHBondContact O-N 3.39Å; G127-R130 PolarHBondContact O-N 3.45Å; G127-L131 WeakPolarHBondContact O-CB 3.4Å; G127-L131 PolarHBondContact O-N 2.85Å
128H96.3Very high96.1Very high30 Ų3030.1 Ų30.114%0.13916%0.158CC..Hα-helixtrans-65.6-41.1176.5-72.3124.2000112.2M124 S125 R130 L131 F132 F538 D539M124-H128 HydrophobicContact CB-CB 4.49Å; M124-H128 HydrophobicContact CE-CB 3.79Å; S125-H128 PolarHBondContact O-N 3.26Å; S125-H128 VanDerWaalsContact O-N 3.1Å; S125-H128 PolarHBondContact OG-ND1 2.98Å; H128-R130 VanDerWaalsContact C-N 3.34Å; H128-R130 PolarHBondContact O-N 2.65Å; H128-L131 PolarHBondContact O-N 3.41Å; H128-F132 WeakPolarHBondContact O-CB 3.17Å; H128-F132 PolarHBondContact O-N 3Å; H128-F538 HydrophobicContact CB-CD1 4.46Å; H128-F538 HydrophobicContact CB-CE1 4.09Å; H128-F538 AromaticContact CD2-CE1 3.83Å; H128-F538 AromaticContact CE1-CD1 3.67Å; H128-F538 AromaticContact CE1-CE1 3.73Å; H128-F538 AromaticContact CG-CD1 3.87Å; H128-F538 AromaticContact CG-CE1 3.55Å; H128-F538 AromaticContact ND1-CD1 3.32Å; H128-F538 VanDerWaalsContact ND1-CD1 3.32Å; H128-F538 WeakPolarHBondContact ND1-CD1 3.44Å; H128-F538 AromaticContact ND1-CE1 3.47Å; H128-F538 WeakPolarHBondContact ND1-CE1 3.48Å; H128-F538 AromaticContact NE2-CE1 3.95Å; H128-D539 IonicContact CE1-OD1 2.67Å; H128-D539 PolarHBondContact CE1-OD1 3.31Å; H128-D539 IonicContact ND1-OD1 2.27Å; H128-D539 PolarHBondContact ND1-OD1 3.31Å
129A97.6Very high96.4Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-62.9-38174.400000112.6M124 S125 E126 M133 F222 M225 L226M124-A129 HydrophobicContact CB-CB 4.43Å; S125-A129 PolarHBondContact O-N 2.83Å; E126-A129 PolarHBondContact O-N 3.45Å; A129-M133 VanDerWaalsContact O-CB 3.22Å; A129-M133 WeakPolarHBondContact O-CB 3.48Å; A129-M133 PolarHBondContact O-N 3.46Å; A129-F222 HydrophobicContact CB-CD2 4.39Å; A129-F222 HydrophobicContact CB-CE2 4.03Å; A129-M225 HydrophobicContact CB-CB 3.85Å; A129-M225 WeakPolarHBondContact O-CE 3.45Å; A129-L226 HydrophobicContact CB-CD2 3.77Å; A129-L226 HydrophobicContact CB-CG 4.23Å
130R98.1Very high96.6Very high36 Ų3629.3 Ų29.314%0.13615%0.154CC..Hα-helixtrans-66-44175-169.1-175.6-58.8176.21.9111.5E126 G127 H128 M133 Y134 Y315 M316 D318 Y319E126-R130 WeakPolarHBondContact O-CB 3.42Å; E126-R130 PolarHBondContact O-N 2.92Å; E126-R130 IonicContact OE1-CZ 2.83Å; E126-R130 IonicContact OE1-NH2 3.97Å; E126-R130 PolarHBondContact OE1-NH2 2.83Å; G127-R130 PolarHBondContact O-N 3.45Å; H128-R130 VanDerWaalsContact C-N 3.34Å; H128-R130 PolarHBondContact O-N 2.65Å; R130-M133 PolarHBondContact O-N 2.95Å; R130-Y134 WeakPolarHBondContact O-CB 3.36Å; R130-Y134 PolarHBondContact O-N 2.99Å; R130-Y315 HydrophobicContact CB-CE1 4.24Å; R130-Y315 WeakPolarHBondContact CD-O 3.34Å; R130-Y315 HydrophobicContact CG-CD1 4.44Å; R130-Y315 HydrophobicContact CG-CE1 3.76Å; R130-Y315 VanDerWaalsContact NE-CE2 3.33Å; R130-Y315 VanDerWaalsContact NE-CZ 3.28Å; R130-Y315 PolarHBondContact NE-OH 3.05Å; R130-M316 HydrophobicContact CG-SD 4.01Å; R130-D318 IonicContact CZ-OD2 2.79Å; R130-D318 IonicContact NH1-OD2 2.9Å; R130-D318 PolarHBondContact NH1-OD2 3.48Å; R130-Y319 HydrophobicContact CB-CE2 4.01Å; R130-Y319 HydrophobicContact CG-CD2 4.05Å; R130-Y319 HydrophobicContact CG-CE2 3.71Å
131L97.8Very high96.8Very high12 Ų1222.5 Ų22.56%0.06312%0.122CC..Hα-helixtrans-63.5-47.6177.7172.254.8000111.7G127 H128 M133 Y134 Q135 L165 Y319 Y661G127-L131 WeakPolarHBondContact O-CB 3.4Å; G127-L131 PolarHBondContact O-N 2.85Å; H128-L131 PolarHBondContact O-N 3.41Å; L131-M133 VanDerWaalsContact C-N 3.32Å; L131-M133 PolarHBondContact O-N 3.3Å; L131-Y134 PolarHBondContact O-N 2.85Å; L131-Q135 HydrophobicContact CD1-CG 4.3Å; L131-Q135 WeakPolarHBondContact O-CG 3.05Å; L131-Q135 PolarHBondContact O-N 3.22Å; L131-L165 HydrophobicContact CD2-CB 4.25Å; L131-Y319 HydrophobicContact CB-CE2 3.95Å; L131-Y661 HydrophobicContact CD1-CE1 4.39Å; L131-Y661 HydrophobicContact CD1-CE2 4.23Å; L131-Y661 WeakPolarHBondContact CD1-OH 3.39Å
132F98.4Very high97.2Very high0 Ų018.6 Ų18.60%011%0.107CC..Hα-helixtrans-66.7-34.9178.3-77.38.3000111.9L115 L118 M124 H128 L136 V160 L165 L167 M225L115-F132 HydrophobicContact CD1-CD2 3.93Å; L115-F132 HydrophobicContact CD1-CE2 4.26Å; L118-F132 HydrophobicContact CD1-CE2 4.28Å; M124-F132 HydrophobicContact CE-CD2 3.49Å; M124-F132 VanDerWaalsContact CE-CD2 3.49Å; M124-F132 HydrophobicContact CE-CE2 3.28Å; M124-F132 HydrophobicContact CE-CG 4.42Å; M124-F132 HydrophobicContact CE-CZ 4.07Å; M124-F132 HydrophobicContact SD-CD2 3.88Å; M124-F132 HydrophobicContact SD-CE2 4.16Å; H128-F132 WeakPolarHBondContact O-CB 3.17Å; H128-F132 PolarHBondContact O-N 3Å; F132-L136 WeakPolarHBondContact O-CB 3.35Å; F132-L136 PolarHBondContact O-N 3.35Å; F132-V160 HydrophobicContact CD2-CG2 4.45Å; F132-V160 HydrophobicContact CE1-CG1 4.43Å; F132-V160 HydrophobicContact CE2-CG1 3.89Å; F132-V160 HydrophobicContact CE2-CG2 3.9Å; F132-V160 HydrophobicContact CZ-CG1 3.54Å; F132-V160 HydrophobicContact CZ-CG2 4.28Å; F132-L165 HydrophobicContact CE1-CB 4.33Å; F132-L165 WeakPolarHBondContact CE1-O 3.19Å; F132-L165 HydrophobicContact CZ-CD2 4.46Å; F132-L167 HydrophobicContact CB-CD1 3.72Å; F132-L167 HydrophobicContact CD1-CB 4.28Å; F132-L167 HydrophobicContact CD2-CD1 4.11Å; F132-L167 HydrophobicContact CG-CB 4.4Å; F132-L167 HydrophobicContact CG-CD1 3.92Å; F132-M225 HydrophobicContact CB-CE 4.04Å; F132-M225 HydrophobicContact CB-SD 3.69Å; F132-M225 HydrophobicContact CD2-SD 4.11Å; F132-M225 HydrophobicContact CG-SD 4.44Å
133M98.5Very high97.5Very high0 Ų017.9 Ų17.90%010%0.1CC..Hα-helixtrans-69.9-39.7172.9-175.256.5167.600112.5A129 R130 L131 Q135 L136 L137 A218 F222 M225 F292 I296 M316A129-M133 VanDerWaalsContact O-CB 3.22Å; A129-M133 WeakPolarHBondContact O-CB 3.48Å; A129-M133 PolarHBondContact O-N 3.46Å; R130-M133 PolarHBondContact O-N 2.95Å; L131-M133 VanDerWaalsContact C-N 3.32Å; L131-M133 PolarHBondContact O-N 3.3Å; M133-Q135 PolarHBondContact O-N 3.21Å; M133-L136 PolarHBondContact O-N 2.94Å; M133-L136 HydrophobicContact SD-CD2 4.01Å; M133-L137 HydrophobicContact CE-CD1 4.19Å; M133-L137 HydrophobicContact CE-CD2 4.11Å; M133-L137 HydrophobicContact CE-CG 4.21Å; M133-L137 HydrophobicContact CG-CD1 4.02Å; M133-L137 HydrophobicContact CG-CG 4.46Å; M133-L137 WeakPolarHBondContact O-CB 3.09Å; M133-L137 WeakPolarHBondContact O-CD1 3.4Å; M133-L137 WeakPolarHBondContact O-CG 3.41Å; M133-L137 PolarHBondContact O-N 2.99Å; M133-L137 HydrophobicContact SD-CD1 4.33Å; M133-L137 HydrophobicContact SD-CG 4.19Å; M133-A218 HydrophobicContact CE-CB 4Å; M133-A218 HydrophobicContact SD-CB 4.3Å; M133-F222 HydrophobicContact CB-CB 4.45Å; M133-F222 HydrophobicContact CB-CD2 3.65Å; M133-F222 HydrophobicContact CB-CE2 4.21Å; M133-F222 HydrophobicContact CB-CG 4.16Å; M133-F222 HydrophobicContact CE-CB 4.01Å; M133-F222 HydrophobicContact CE-CG 4.48Å; M133-F222 HydrophobicContact CG-CB 4.04Å; M133-F222 HydrophobicContact CG-CD1 4.49Å; M133-F222 HydrophobicContact CG-CD2 3.88Å; M133-F222 HydrophobicContact CG-CG 3.87Å; M133-F222 HydrophobicContact SD-CB 3.81Å; M133-F222 HydrophobicContact SD-CG 4.31Å; M133-M225 HydrophobicContact CB-CE 4.13Å; M133-F292 HydrophobicContact CE-CE1 3.78Å; M133-F292 HydrophobicContact CE-CZ 4.04Å; M133-F292 HydrophobicContact CG-CE1 3.99Å; M133-F292 HydrophobicContact CG-CZ 4.48Å; M133-I296 HydrophobicContact CE-CD1 3.8Å; M133-M316 HydrophobicContact CB-CE 3.88Å; M133-M316 HydrophobicContact CG-CE 3.48Å; M133-M316 VanDerWaalsContact CG-CE 3.48Å
134Y98.6Very high97.6Very high13 Ų1315.1 Ų15.15%0.0518%0.082CC..Hα-helixtrans-57.1-48.3171.2168.6-101.8000111.4R130 L131 L136 L137 R138 L311 Y319R130-Y134 WeakPolarHBondContact O-CB 3.36Å; R130-Y134 PolarHBondContact O-N 2.99Å; L131-Y134 PolarHBondContact O-N 2.85Å; Y134-L136 PolarHBondContact O-N 3.48Å; Y134-L137 PolarHBondContact O-N 3.17Å; Y134-R138 WeakPolarHBondContact O-CB 3.45Å; Y134-R138 PolarHBondContact O-N 3.4Å; Y134-L311 HydrophobicContact CD2-CD2 3.44Å; Y134-L311 VanDerWaalsContact CD2-CD2 3.44Å; Y134-L311 HydrophobicContact CE2-CD2 3.55Å; Y134-L311 HydrophobicContact CG-CD2 4.49Å; Y134-Y319 HydrophobicContact CG-CD2 4.37Å; Y134-Y319 HydrophobicContact CG-CG 4.42Å; Y134-Y319 PolarHBondContact OH-O 2.83Å
135Q98.6Very high97.7Very high18 Ų1815.9 Ų15.98%0.0849%0.088CC..Hα-helixtrans-62.9-41177.9-74.8-174.373.100113N76 L131 M133 R138 G139 L165 L167N76-Q135 WeakPolarHBondContact CB-O 3.4Å; N76-Q135 WeakPolarHBondContact ND2-CB 3.34Å; N76-Q135 PolarHBondContact ND2-OE1 3.24Å; L131-Q135 HydrophobicContact CD1-CG 4.3Å; L131-Q135 WeakPolarHBondContact O-CG 3.05Å; L131-Q135 PolarHBondContact O-N 3.22Å; M133-Q135 PolarHBondContact O-N 3.21Å; Q135-R138 PolarHBondContact O-N 2.92Å; Q135-G139 PolarHBondContact O-N 3.48Å; Q135-L165 PolarHBondContact NE2-O 2.76Å; Q135-L167 HydrophobicContact CB-CB 4.13Å
136L98.8Very high97.7Very high1 Ų113.7 Ų13.71%0.0057%0.072CC..Hα-helixtrans-60-45.2173176.857.2000111.2F132 M133 Y134 G139 L140 L158 L167 I169 A218F132-L136 WeakPolarHBondContact O-CB 3.35Å; F132-L136 PolarHBondContact O-N 3.35Å; M133-L136 PolarHBondContact O-N 2.94Å; M133-L136 HydrophobicContact SD-CD2 4.01Å; Y134-L136 PolarHBondContact O-N 3.48Å; L136-G139 PolarHBondContact O-N 2.89Å; L136-L140 HydrophobicContact CD1-CD1 4.03Å; L136-L140 HydrophobicContact CD1-CG 4.23Å; L136-L140 HydrophobicContact CG-CD1 4.09Å; L136-L140 WeakPolarHBondContact O-CB 3.44Å; L136-L140 VanDerWaalsContact O-CG 3.27Å; L136-L140 WeakPolarHBondContact O-CG 3.36Å; L136-L140 PolarHBondContact O-N 3.24Å; L136-L158 HydrophobicContact CD1-CD1 3.96Å; L136-L158 HydrophobicContact CD1-CD2 3.76Å; L136-L158 HydrophobicContact CD2-CD1 3.86Å; L136-L158 HydrophobicContact CG-CD1 4.46Å; L136-L167 HydrophobicContact CB-CD2 4.16Å; L136-I169 HydrophobicContact CD1-CD1 3.89Å; L136-I169 HydrophobicContact CD1-CG1 3.88Å; L136-A218 HydrophobicContact CD2-CB 3.69Å; L136-A218 HydrophobicContact CG-CB 4.24Å
137L98.8Very high97.6Very high0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-68.5-39.7178.9-67.1164.5000112.9M133 Y134 G139 L140 K141 M215 F292 A310 L311 M316M133-L137 HydrophobicContact CE-CD1 4.19Å; M133-L137 HydrophobicContact CE-CD2 4.11Å; M133-L137 HydrophobicContact CE-CG 4.21Å; M133-L137 HydrophobicContact CG-CD1 4.02Å; M133-L137 HydrophobicContact CG-CG 4.46Å; M133-L137 WeakPolarHBondContact O-CB 3.09Å; M133-L137 WeakPolarHBondContact O-CD1 3.4Å; M133-L137 WeakPolarHBondContact O-CG 3.41Å; M133-L137 PolarHBondContact O-N 2.99Å; M133-L137 HydrophobicContact SD-CD1 4.33Å; M133-L137 HydrophobicContact SD-CG 4.19Å; Y134-L137 PolarHBondContact O-N 3.17Å; L137-G139 VanDerWaalsContact C-N 3.35Å; L137-L140 PolarHBondContact O-N 3.01Å; L137-K141 WeakPolarHBondContact O-CB 3.19Å; L137-K141 PolarHBondContact O-N 3.41Å; L137-M215 HydrophobicContact CD2-CE 3.54Å; L137-M215 HydrophobicContact CD2-SD 4.21Å; L137-F292 HydrophobicContact CD1-CZ 3.85Å; L137-A310 HydrophobicContact CD1-CB 4.12Å; L137-A310 HydrophobicContact CD2-CB 3.83Å; L137-L311 HydrophobicContact CB-CD1 4.34Å; L137-L311 HydrophobicContact CB-CD2 3.72Å; L137-L311 HydrophobicContact CB-CG 3.83Å; L137-M316 HydrophobicContact CD1-CE 3.86Å
138R98.5Very high97.4Very high13 Ų1311.9 Ų11.95%0.0496%0.057CC..Hα-helixtrans-58.2-47.6173.4-170.6-178.3173-96.11.9110.3H74 D75 N76 Y134 Q135 K141 Y142 D324H74-R138 PolarHBondContact CE1-NH1 2.88Å; H74-R138 PolarHBondContact NE2-NH1 2.82Å; D75-R138 IonicContact OD2-CZ 3.51Å; D75-R138 VanDerWaalsContact OD2-CZ 3.29Å; D75-R138 IonicContact OD2-NH1 3.59Å; D75-R138 PolarHBondContact OD2-NH1 3.05Å; D75-R138 IonicContact OD2-NH2 2.65Å; D75-R138 PolarHBondContact OD2-NH2 3.23Å; N76-R138 WeakPolarHBondContact OD1-CD 3.27Å; N76-R138 PolarHBondContact OD1-NH1 3.09Å; Y134-R138 WeakPolarHBondContact O-CB 3.45Å; Y134-R138 PolarHBondContact O-N 3.4Å; Q135-R138 PolarHBondContact O-N 2.92Å; R138-K141 PolarHBondContact O-N 2.86Å; R138-Y142 PolarHBondContact O-N 2.99Å; R138-D324 IonicContact CZ-OD1 3.32Å; R138-D324 PolarHBondContact NE-O 3.38Å; R138-D324 IonicContact NE-OD1 3.87Å; R138-D324 IonicContact NE-OD2 3.19Å; R138-D324 PolarHBondContact NH2-O 3.16Å; R138-D324 IonicContact NH2-OD1 2.84Å; R138-D324 PolarHBondContact NH2-OD1 3.39Å; R138-D324 IonicContact NH2-OD2 2.77Å
139G98.5Very high97.2Very high0 Ų010.6 Ų10.60%05%0.051CC..Hα-helixtrans-60.5-43.5172.400000113.7Q135 L136 L137 Y142 I143Q135-G139 PolarHBondContact O-N 3.48Å; L136-G139 PolarHBondContact O-N 2.89Å; L137-G139 VanDerWaalsContact C-N 3.35Å; G139-Y142 PolarHBondContact O-N 2.7Å; G139-I143 VanDerWaalsContact O-CG1 3.29Å; G139-I143 WeakPolarHBondContact O-CG1 3.45Å; G139-I143 PolarHBondContact O-N 2.61Å
140L98.5Very high97Very high0 Ų010.6 Ų10.60%05%0.051CC..Hα-helixtrans-68.6-36.1178.2-70.4173.5000113L136 L137 Y142 I143 H144 L153 I169 D214 M215 A218 A307L136-L140 HydrophobicContact CD1-CD1 4.03Å; L136-L140 HydrophobicContact CD1-CG 4.23Å; L136-L140 HydrophobicContact CG-CD1 4.09Å; L136-L140 WeakPolarHBondContact O-CB 3.44Å; L136-L140 VanDerWaalsContact O-CG 3.27Å; L136-L140 WeakPolarHBondContact O-CG 3.36Å; L136-L140 PolarHBondContact O-N 3.24Å; L137-L140 PolarHBondContact O-N 3.01Å; L140-Y142 VanDerWaalsContact C-N 3.29Å; L140-Y142 PolarHBondContact O-N 3.49Å; L140-I143 HydrophobicContact CD2-CD1 4.35Å; L140-I143 PolarHBondContact O-N 3.07Å; L140-H144 WeakPolarHBondContact O-CB 3.46Å; L140-H144 PolarHBondContact O-N 3.41Å; L140-L153 HydrophobicContact CD1-CD1 4.11Å; L140-L153 HydrophobicContact CD2-CD1 3.78Å; L140-I169 HydrophobicContact CD2-CD1 4.14Å; L140-I169 HydrophobicContact CG-CD1 4.1Å; L140-D214 HydrophobicContact CD2-CB 4.27Å; L140-M215 HydrophobicContact CD1-SD 4.42Å; L140-A218 HydrophobicContact CD1-CB 4.01Å; L140-A307 HydrophobicContact CB-CB 4.17Å
141K98.3Very high96.6Very high16 Ų1611.3 Ų11.37%0.075%0.054CC..Hα-helixtrans-55.3-47.7172.1-168.6-169.8-167.7178.80110.2L137 R138 S145 A307 E308 L311 E325 I327L137-K141 WeakPolarHBondContact O-CB 3.19Å; L137-K141 PolarHBondContact O-N 3.41Å; R138-K141 PolarHBondContact O-N 2.86Å; K141-S145 VanDerWaalsContact O-CB 3.27Å; K141-S145 WeakPolarHBondContact O-CB 3.37Å; K141-S145 PolarHBondContact O-N 3.22Å; K141-S145 PolarHBondContact O-OG 3.29Å; K141-S145 VanDerWaalsContact O-OG 3.13Å; K141-A307 HydrophobicContact CB-CB 4.1Å; K141-E308 VanDerWaalsContact CE-OE1 3.26Å; K141-E308 WeakPolarHBondContact CE-OE1 3.31Å; K141-E308 IonicContact NZ-OE1 2.71Å; K141-L311 HydrophobicContact CB-CD1 4.07Å; K141-L311 HydrophobicContact CD-CD1 3.78Å; K141-L311 HydrophobicContact CG-CD1 4.37Å; K141-E325 HydrophobicContact CD-CB 3.9Å; K141-E325 WeakPolarHBondContact CD-O 3.2Å; K141-E325 WeakPolarHBondContact CE-O 3.39Å; K141-E325 PolarHBondContact NZ-O 3.26Å; K141-E325 IonicContact NZ-OE2 2.74Å; K141-E325 PolarHBondContact NZ-OE2 3.32Å; K141-I327 HydrophobicContact CG-CG2 4.49Å
142Y98.3Very high96.3Very high24 Ų2411.5 Ų11.59%0.0945%0.054CC..Hα-helixtrans-62.4-54.4176-171.9-85.2000112.3L72 D73 H74 I77 R138 G139 L140 H144 S145 A146L72-Y142 HydrophobicContact CB-CE1 4.24Å; L72-Y142 HydrophobicContact CD2-CD1 4.06Å; L72-Y142 HydrophobicContact CD2-CE1 3.68Å; D73-Y142 PolarHBondContact N-OH 2.84Å; D73-Y142 PolarHBondContact O-OH 3.3Å; D73-Y142 VanDerWaalsContact O-OH 3.12Å; H74-Y142 HydrophobicContact CB-CD1 3.88Å; H74-Y142 HydrophobicContact CB-CD2 4.1Å; H74-Y142 HydrophobicContact CB-CE1 4.07Å; H74-Y142 HydrophobicContact CB-CE2 4.27Å; H74-Y142 HydrophobicContact CB-CG 3.88Å; H74-Y142 AromaticContact CD2-CD2 3.7Å; H74-Y142 AromaticContact CD2-CG 3.84Å; H74-Y142 AromaticContact CG-CG 3.88Å; I77-Y142 HydrophobicContact CD1-CD1 3.67Å; I77-Y142 HydrophobicContact CD1-CE1 4.23Å; R138-Y142 PolarHBondContact O-N 2.99Å; G139-Y142 PolarHBondContact O-N 2.7Å; L140-Y142 VanDerWaalsContact C-N 3.29Å; L140-Y142 PolarHBondContact O-N 3.49Å; Y142-H144 VanDerWaalsContact C-N 3.32Å; Y142-H144 PolarHBondContact O-N 2.84Å; Y142-S145 PolarHBondContact O-N 3.42Å; Y142-S145 PolarHBondContact O-OG 3.02Å; Y142-A146 PolarHBondContact O-N 3.25Å
143I97.4Very high96.1Very high0 Ų011.7 Ų11.70%06%0.055CC..Hα-helixtrans-56.7-44.9179.7-65.8165.1000111.4L72 I77 G139 L140 A146 V148 I169 F172L72-I143 HydrophobicContact CD1-CG1 4.37Å; I77-I143 HydrophobicContact CD1-CD1 4.01Å; I77-I143 HydrophobicContact CD1-CG1 3.54Å; I77-I143 HydrophobicContact CG1-CD1 4.28Å; I77-I143 HydrophobicContact CG1-CG1 4.34Å; G139-I143 VanDerWaalsContact O-CG1 3.29Å; G139-I143 WeakPolarHBondContact O-CG1 3.45Å; G139-I143 PolarHBondContact O-N 2.61Å; L140-I143 HydrophobicContact CD2-CD1 4.35Å; L140-I143 PolarHBondContact O-N 3.07Å; I143-A146 WeakPolarHBondContact O-CB 3.4Å; I143-A146 PolarHBondContact O-N 3.21Å; I143-V148 HydrophobicContact CG2-CB 3.82Å; I143-V148 HydrophobicContact CG2-CG1 3.86Å; I143-V148 PolarHBondContact O-N 3.48Å; I143-V148 VanDerWaalsContact O-N 3.1Å; I143-I169 HydrophobicContact CD1-CB 4.39Å; I143-I169 HydrophobicContact CD1-CD1 3.64Å; I143-I169 HydrophobicContact CD1-CG2 4.11Å; I143-F172 HydrophobicContact CD1-CE1 3.92Å; I143-F172 HydrophobicContact CD1-CZ 3.8Å; I143-F172 HydrophobicContact CG1-CE1 4.24Å; I143-F172 HydrophobicContact CG1-CZ 4.33Å; I143-F172 HydrophobicContact CG2-CE1 4.45Å
144H96.8Very high95.9Very high10 Ų1013.1 Ų13.15%0.0466%0.062CC..Hα-helixtrans-72.9-34.6-178.2-71.6-179.3000112.5L140 Y142 A146 N147 V148 K211 D214L140-H144 WeakPolarHBondContact O-CB 3.46Å; L140-H144 PolarHBondContact O-N 3.41Å; Y142-H144 VanDerWaalsContact C-N 3.32Å; Y142-H144 PolarHBondContact O-N 2.84Å; H144-A146 PolarHBondContact O-N 3.22Å; H144-N147 PolarHBondContact O-N 2.83Å; H144-N147 VanDerWaalsContact O-N 3.11Å; H144-V148 PolarHBondContact CD2-O 2.84Å; H144-K211 HydrophobicContact CB-CD 3.89Å; H144-K211 HydrophobicContact CB-CG 4.05Å; H144-K211 PolarHBondContact CE1-O 3.33Å; H144-K211 VanDerWaalsContact CE1-O 3.24Å; H144-K211 WeakPolarHBondContact O-CE 3.47Å; H144-K211 PolarHBondContact O-NZ 2.95Å; H144-D214 IonicContact CD2-OD2 3.48Å; H144-D214 IonicContact CE1-OD2 3.99Å; H144-D214 WeakPolarHBondContact NE2-CB 3.46Å; H144-D214 IonicContact NE2-OD2 3.3Å; H144-D214 PolarHBondContact NE2-OD2 3.29Å
145S96.3Very high95.8Very high28 Ų2812.6 Ų12.620%0.1966%0.06CC..Hα-helixtrans-65.5-30171.168.60000112.2K141 Y142 N147 I327 S328K141-S145 VanDerWaalsContact O-CB 3.27Å; K141-S145 WeakPolarHBondContact O-CB 3.37Å; K141-S145 PolarHBondContact O-N 3.22Å; K141-S145 PolarHBondContact O-OG 3.29Å; K141-S145 VanDerWaalsContact O-OG 3.13Å; Y142-S145 PolarHBondContact O-N 3.42Å; Y142-S145 PolarHBondContact O-OG 3.02Å; S145-N147 PolarHBondContact O-N 3.24Å; S145-N147 VanDerWaalsContact O-N 3.15Å; S145-I327 WeakPolarHBondContact OG-CA 3.45Å; S145-I327 WeakPolarHBondContact OG-CB 3.17Å; S145-S328 PolarHBondContact OG-N 3.48Å
146A94.9Very high95.6Very high0 Ų013.6 Ų13.60%07%0.072CC..THydrogen-bonded Turntrans-71.83.1171.200000114.1L72 Y142 I143 H144 V148 F332L72-A146 HydrophobicContact CD2-CB 3.94Å; Y142-A146 PolarHBondContact O-N 3.25Å; I143-A146 WeakPolarHBondContact O-CB 3.4Å; I143-A146 PolarHBondContact O-N 3.21Å; H144-A146 PolarHBondContact O-N 3.22Å; A146-V148 HydrophobicContact CB-CG2 4.34Å; A146-V148 PolarHBondContact O-N 3.17Å; A146-F332 HydrophobicContact CB-CD2 4.21Å; A146-F332 HydrophobicContact CB-CE2 4.45Å; A146-F332 WeakPolarHBondContact O-CD2 3.39Å; A146-F332 PolarHBondContact O-N 3.36Å
147N93.4Very high95.4Very high48 Ų4814 Ų1426%0.2577%0.074SC..THydrogen-bonded Turntrans5826.4-170.3-69.3-25.4000114.5H144 S145 M178 P331H144-N147 PolarHBondContact O-N 2.83Å; H144-N147 VanDerWaalsContact O-N 3.11Å; S145-N147 PolarHBondContact O-N 3.24Å; S145-N147 VanDerWaalsContact O-N 3.15Å; N147-M178 HydrophobicContact CB-CB 4.28Å; N147-M178 WeakPolarHBondContact O-CB 3.01Å; N147-M178 PolarHBondContact O-N 3.1Å; N147-P331 HydrophobicContact CB-CB 4.45Å
148V93.1Very high95.3Very high0 Ų014 Ų140%07%0.074CC..EExtended strand (participates in β ladder)trans-98.2147.4172.7177.10000110.1I68 I143 H144 A146 A175 R176 F332I68-V148 HydrophobicContact CD1-CG1 4.18Å; I68-V148 HydrophobicContact CG1-CG2 4.46Å; I68-V148 HydrophobicContact CG2-CG1 4.1Å; I68-V148 HydrophobicContact CG2-CG2 4.42Å; I143-V148 HydrophobicContact CG2-CB 3.82Å; I143-V148 HydrophobicContact CG2-CG1 3.86Å; I143-V148 PolarHBondContact O-N 3.48Å; I143-V148 VanDerWaalsContact O-N 3.1Å; H144-V148 PolarHBondContact CD2-O 2.84Å; A146-V148 HydrophobicContact CB-CG2 4.34Å; A146-V148 PolarHBondContact O-N 3.17Å; V148-A175 HydrophobicContact CG1-CB 4.18Å; V148-R176 WeakPolarHBondContact CA-O 3.32Å; V148-F332 HydrophobicContact CG2-CD2 3.47Å; V148-F332 VanDerWaalsContact CG2-CD2 3.47Å; V148-F332 HydrophobicContact CG2-CE2 3.78Å; V148-F332 HydrophobicContact CG2-CG 4.18Å
149L92.2Very high95.2Very high3 Ų315.6 Ų15.62%0.0168%0.081CC..EExtended strand (participates in β ladder)trans-116136.5166-63.2175000109.5R151 A175 R176 M178 K211 I213 D214L149-R151 HydrophobicContact CB-CG 3.83Å; L149-A175 CarbonylContact O-C 3.57Å; L149-A175 WeakPolarHBondContact O-CA 3.12Å; L149-A175 WeakPolarHBondContact O-CB 3.15Å; L149-R176 PolarHBondContact N-O 2.83Å; L149-R176 PolarHBondContact O-N 2.81Å; L149-M178 HydrophobicContact CD1-CE 4.45Å; L149-M178 HydrophobicContact CD1-CG 3.73Å; L149-M178 HydrophobicContact CD1-SD 4.04Å; L149-M178 HydrophobicContact CD2-CG 4.17Å; L149-M178 HydrophobicContact CD2-SD 3.68Å; L149-M178 HydrophobicContact CG-CG 3.58Å; L149-M178 HydrophobicContact CG-SD 3.8Å; L149-K211 VanDerWaalsContact CD2-CA 3.48Å; L149-K211 HydrophobicContact CD2-CB 4.33Å; L149-K211 HydrophobicContact CD2-CG 3.95Å; L149-I213 HydrophobicContact CD1-CD1 4.21Å; L149-D214 WeakPolarHBondContact CA-OD2 3.06Å
150H93.2Very high95.1Very high0 Ų015.6 Ų15.60%08%0.081CC..  trans-79.3-40.4-178.8-167.7-83.5000112.3D152 L153 G170 F172 D214H150-D152 PolarHBondContact CE1-O 3.1Å; H150-D152 PolarHBondContact ND1-O 3.16Å; H150-D152 PolarHBondContact O-N 3.41Å; H150-L153 HydrophobicContact CB-CD1 4.36Å; H150-L153 HydrophobicContact CB-CD2 4.05Å; H150-L153 HydrophobicContact CB-CG 3.92Å; H150-L153 WeakPolarHBondContact ND1-CD2 3.43Å; H150-L153 PolarHBondContact ND1-N 3.16Å; H150-G170 PolarHBondContact NE2-O 3.37Å; H150-F172 AromaticContact CD2-CD1 3.82Å; H150-F172 AromaticContact CD2-CE1 3.69Å; H150-F172 AromaticContact CD2-CZ 3.96Å; H150-D214 PolarHBondContact N-OD1 2.95Å; H150-D214 PolarHBondContact N-OD2 3.46Å
151R90.4Very high94.8Very high52 Ų5217.5 Ų17.520%0.1969%0.091CC..  trans66-19.2172.7-56.1173.862.9-110.2-3.6116.9L149 L174 Y209 I213 D214L149-R151 HydrophobicContact CB-CG 3.83Å; R151-L174 WeakPolarHBondContact CD-O 3.46Å; R151-L174 PolarHBondContact NH1-O 2.84Å; R151-Y209 HydrophobicContact CG-CD1 4.42Å; R151-Y209 PolarHBondContact NH2-OH 3.09Å; R151-I213 HydrophobicContact CG-CD1 4.08Å; R151-D214 PolarHBondContact N-OD1 2.91Å
152D90.2Very high94.3Very high15 Ų1516.7 Ų16.78%0.089%0.088CC..  trans-131.752176.2-169.614.5000112.2H150 K154 N157 L174H150-D152 PolarHBondContact CE1-O 3.1Å; H150-D152 PolarHBondContact ND1-O 3.16Å; H150-D152 PolarHBondContact O-N 3.41Å; D152-K154 IonicContact OD1-NZ 2.75Å; D152-K154 PolarHBondContact OD1-NZ 3.21Å; D152-K154 IonicContact OD2-NZ 2.85Å; D152-K154 PolarHBondContact OD2-NZ 3.21Å; D152-N157 PolarHBondContact O-ND2 3.46Å; D152-L174 HydrophobicContact CB-CB 4.13Å; D152-L174 HydrophobicContact CB-CD1 3.85Å
153L95.4Very high93.8Very high4 Ų419.2 Ų19.22%0.02110%0.1CC..  trans-75.3125.5170.6-68.7169.8000110.1L140 H150 L158 I169 Y197 D214 A217 I221L140-L153 HydrophobicContact CD1-CD1 4.11Å; L140-L153 HydrophobicContact CD2-CD1 3.78Å; H150-L153 HydrophobicContact CB-CD1 4.36Å; H150-L153 HydrophobicContact CB-CD2 4.05Å; H150-L153 HydrophobicContact CB-CG 3.92Å; H150-L153 WeakPolarHBondContact ND1-CD2 3.43Å; H150-L153 PolarHBondContact ND1-N 3.16Å; L153-L158 HydrophobicContact CD2-CD2 4.29Å; L153-I169 HydrophobicContact CD2-CG2 3.89Å; L153-Y197 VanDerWaalsContact O-CB 3.3Å; L153-Y197 WeakPolarHBondContact O-CB 3.48Å; L153-D214 HydrophobicContact CD1-CB 3.6Å; L153-A217 HydrophobicContact CB-CB 3.76Å; L153-A217 HydrophobicContact CD1-CB 4.38Å; L153-I221 HydrophobicContact CB-CD1 4.25Å
154K94.9Very high93.4Very high30 Ų3024.1 Ų24.113%0.1313%0.126CC..  trans-158.3159.8177.557.6-175.8179.2-67.50108.7D152 A156 N157 L158 Y197D152-K154 IonicContact OD1-NZ 2.75Å; D152-K154 PolarHBondContact OD1-NZ 3.21Å; D152-K154 IonicContact OD2-NZ 2.85Å; D152-K154 PolarHBondContact OD2-NZ 3.21Å; K154-A156 PolarHBondContact O-N 2.98Å; K154-A156 VanDerWaalsContact O-N 3.16Å; K154-N157 WeakPolarHBondContact CE-OD1 3.46Å; K154-N157 HydrophobicContact CG-CB 4.08Å; K154-N157 PolarHBondContact NZ-ND2 3.41Å; K154-N157 PolarHBondContact NZ-OD1 3.27Å; K154-N157 PolarHBondContact O-N 3.14Å; K154-L158 PolarHBondContact O-N 3.34Å; K154-Y197 HydrophobicContact CB-CD2 3.56Å; K154-Y197 HydrophobicContact CB-CE2 3.56Å; K154-Y197 HydrophobicContact CB-CG 4.27Å
155P96.1Very high93.3Very high3 Ų325.4 Ų25.42%0.01913%0.133CC..G310 helixtrans-54.7-36.9-178.3-28.336.5000114.1L115 C116 L119 N157 L158 Y197 I221L115-P155 HydrophobicContact CB-CB 4Å; L115-P155 WeakPolarHBondContact CB-O 3.26Å; L115-P155 HydrophobicContact CD2-CB 4.31Å; L115-P155 HydrophobicContact CG-CB 4.16Å; L115-P155 PolarHBondContact N-O 3.41Å; C116-P155 HydrophobicContact CB-CB 3.99Å; L119-P155 HydrophobicContact CD1-CB 4.03Å; L119-P155 HydrophobicContact CD1-CG 4.09Å; P155-N157 PolarHBondContact O-N 3.25Å; P155-L158 PolarHBondContact O-N 2.9Å; P155-Y197 VanDerWaalsContact CD-OH 3.27Å; P155-Y197 WeakPolarHBondContact CD-OH 3.47Å; P155-Y197 HydrophobicContact CG-CE1 4.32Å; P155-I221 HydrophobicContact CG-CG1 4.29Å
156A92.7Very high93.4Very high39 Ų3925.4 Ų25.432%0.32213%0.132SC..G310 helixtrans-68.4-9.517700000115C116 K154C116-A156 HydrophobicContact CB-CB 4.09Å; K154-A156 PolarHBondContact O-N 2.98Å; K154-A156 VanDerWaalsContact O-N 3.16Å
157N94.7Very high93.5Very high9 Ų925.4 Ų25.45%0.04813%0.132CC..G310 helixtrans-107.64.2174.3-73.636.5000112D152 K154 P155 G170 D171D152-N157 PolarHBondContact O-ND2 3.46Å; K154-N157 WeakPolarHBondContact CE-OD1 3.46Å; K154-N157 HydrophobicContact CG-CB 4.08Å; K154-N157 PolarHBondContact NZ-ND2 3.41Å; K154-N157 PolarHBondContact NZ-OD1 3.27Å; K154-N157 PolarHBondContact O-N 3.14Å; P155-N157 PolarHBondContact O-N 3.25Å; N157-G170 WeakPolarHBondContact CB-O 3.43Å; N157-G170 PolarHBondContact O-N 3.43Å; N157-D171 WeakPolarHBondContact ND2-CB 3.41Å; N157-D171 PolarHBondContact ND2-OD2 3.29Å
158L97.4Very high93.7Very high0 Ų024.1 Ų24.10%012%0.124CC..EExtended strand (participates in β ladder)trans-110.4104.2173.1-60.5-173.1000108.7D114 L115 L136 L153 K154 P155 L167 I169 I221D114-L158 WeakPolarHBondContact CA-O 3.41Å; L115-L158 HydrophobicContact CB-CB 4.17Å; L115-L158 HydrophobicContact CD2-CB 4.39Å; L115-L158 HydrophobicContact CD2-CD1 4.05Å; L115-L158 PolarHBondContact N-O 3.43Å; L136-L158 HydrophobicContact CD1-CD1 3.96Å; L136-L158 HydrophobicContact CD1-CD2 3.76Å; L136-L158 HydrophobicContact CD2-CD1 3.86Å; L136-L158 HydrophobicContact CG-CD1 4.46Å; L153-L158 HydrophobicContact CD2-CD2 4.29Å; K154-L158 PolarHBondContact O-N 3.34Å; P155-L158 PolarHBondContact O-N 2.9Å; L158-L167 HydrophobicContact CB-CD1 4.34Å; L158-L167 HydrophobicContact CB-CG 4.47Å; L158-L167 HydrophobicContact CD1-CD1 4.39Å; L158-L167 HydrophobicContact CD2-CD2 4.45Å; L158-I169 HydrophobicContact CD2-CB 4.27Å; L158-I169 HydrophobicContact CD2-CG1 3.86Å; L158-I169 HydrophobicContact CD2-CG2 4.35Å; L158-I221 HydrophobicContact CD1-CD1 4.01Å; L158-I221 HydrophobicContact CD1-CG2 3.93Å
159F96.5Very high94Very high46 Ų4624.1 Ų24.120%0.20212%0.124CC..EExtended strand (participates in β ladder)trans-85.6145.6-176.8-62.5-81.2000110.9V78 M111 D114 L167 K168V78-F159 HydrophobicContact CG2-CB 4.47Å; V78-F159 HydrophobicContact CG2-CD2 3.64Å; V78-F159 HydrophobicContact CG2-CE2 4.33Å; V78-F159 HydrophobicContact CG2-CG 4.34Å; M111-F159 HydrophobicContact CB-CB 3.7Å; M111-F159 HydrophobicContact CB-CD1 4.21Å; M111-F159 HydrophobicContact CB-CG 4.22Å; M111-F159 HydrophobicContact CE-CB 3.85Å; M111-F159 HydrophobicContact CG-CB 3.63Å; M111-F159 HydrophobicContact CG-CG 4.23Å; D114-F159 HydrophobicContact CB-CD1 4.16Å; D114-F159 HydrophobicContact CB-CE1 4.39Å; F159-L167 CarbonylContact O-C 3.53Å; F159-L167 WeakPolarHBondContact O-CA 3.35Å; F159-K168 PolarHBondContact N-O 3.01Å; F159-K168 PolarHBondContact O-N 3.46Å
160V95.6Very high94.1Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-131.3133.5-177-179.80000109.8T113 L118 F132 T162 V166 L167T113-V160 HydrophobicContact CG2-CB 4.26Å; T113-V160 PolarHBondContact N-O 2.81Å; T113-V160 VanDerWaalsContact N-O 3.16Å; T113-V160 PolarHBondContact O-N 2.8Å; L118-V160 HydrophobicContact CD1-CB 3.9Å; L118-V160 HydrophobicContact CD1-CG1 3.85Å; L118-V160 HydrophobicContact CD1-CG2 3.96Å; F132-V160 HydrophobicContact CD2-CG2 4.45Å; F132-V160 HydrophobicContact CE1-CG1 4.43Å; F132-V160 HydrophobicContact CE2-CG1 3.89Å; F132-V160 HydrophobicContact CE2-CG2 3.9Å; F132-V160 HydrophobicContact CZ-CG1 3.54Å; F132-V160 HydrophobicContact CZ-CG2 4.28Å; V160-T162 HydrophobicContact CG1-CG2 4.13Å; V160-V166 WeakPolarHBondContact CA-O 3.5Å; V160-L167 HydrophobicContact CG2-CD1 4.44Å
161N93.2Very high93.8Very high40 Ų4025.8 Ų25.821%0.21413%0.133CC..EExtended strand (participates in β ladder)trans-96.8119.1159.5170.5-14.3000106.6M111 E163 D164 L165 V166M111-N161 HydrophobicContact CE-CB 4.28Å; N161-E163 PolarHBondContact OD1-N 3.42Å; N161-D164 PolarHBondContact ND2-OD2 2.71Å; N161-D164 PolarHBondContact OD1-N 3.44Å; N161-L165 WeakPolarHBondContact O-CA 3.27Å; N161-L165 PolarHBondContact O-N 2.79Å; N161-L165 VanDerWaalsContact O-N 3.13Å; N161-V166 PolarHBondContact N-O 3.08Å; N161-V166 PolarHBondContact O-N 3.19Å
162T88.1Confident93.8Very high0 Ų023.5 Ų23.50%013%0.125CC..THydrogen-bonded Turntrans-84.2-14.8-172.9720000113.5E112 T113 L118 V160 F541 I542 T545E112-T162 VanDerWaalsContact CD-OG1 3.3Å; E112-T162 PolarHBondContact OE1-OG1 3.41Å; E112-T162 VanDerWaalsContact OE2-CB 3.22Å; E112-T162 WeakPolarHBondContact OE2-CB 3.41Å; E112-T162 VanDerWaalsContact OE2-CG2 3.31Å; E112-T162 WeakPolarHBondContact OE2-CG2 3.39Å; E112-T162 PolarHBondContact OE2-N 3.35Å; E112-T162 PolarHBondContact OE2-OG1 3.48Å; T113-T162 HydrophobicContact CG2-CG2 3.87Å; L118-T162 HydrophobicContact CD1-CG2 4.48Å; L118-T162 HydrophobicContact CD2-CG2 4.12Å; V160-T162 HydrophobicContact CG1-CG2 4.13Å; T162-F541 HydrophobicContact CG2-CE1 4.16Å; T162-F541 HydrophobicContact CG2-CZ 4.47Å; T162-I542 HydrophobicContact CG2-CD1 4.33Å; T162-T545 WeakPolarHBondContact OG1-CG2 3.42Å
163E87.3Confident93.4Very high76 Ų7623.1 Ų23.136%0.35513%0.125SC..THydrogen-bonded Turntrans-77.1-49.7175-59.6-177.5-134.600111.2N161 T545 I546 S549N161-E163 PolarHBondContact OD1-N 3.42Å; E163-T545 HydrophobicContact CG-CG2 4.28Å; E163-I546 HydrophobicContact CB-CG1 4.29Å; E163-I546 HydrophobicContact CG-CG1 4.32Å; E163-S549 WeakPolarHBondContact OE1-CB 3.44Å; E163-S549 PolarHBondContact OE1-OG 3.39Å; E163-S549 WeakPolarHBondContact OE2-CB 3.43Å; E163-S549 PolarHBondContact OE2-OG 3.19Å; E163-S549 VanDerWaalsContact OE2-OG 3.07Å
164D90Very high92.9Very high103 Ų10325.3 Ų25.355%0.55114%0.136SC*.THydrogen-bonded Turntrans-85.9-7.3-179.7-62.8-55.8000113.5N161 V166N161-D164 PolarHBondContact ND2-OD2 2.71Å; N161-D164 PolarHBondContact OD1-N 3.44Å; D164-V166 HydrophobicContact CB-CB 4.43Å; D164-V166 HydrophobicContact CB-CG2 3.79Å; D164-V166 PolarHBondContact O-N 2.76Å
165L94.6Very high92.6Very high37 Ų3723.9 Ų23.919%0.19413%0.13CC..THydrogen-bonded Turntrans52.834.2-170.8-62.4174.9000113.6L131 F132 Q135 N161 F538 I542L131-L165 HydrophobicContact CD2-CB 4.25Å; F132-L165 HydrophobicContact CE1-CB 4.33Å; F132-L165 WeakPolarHBondContact CE1-O 3.19Å; F132-L165 HydrophobicContact CZ-CD2 4.46Å; Q135-L165 PolarHBondContact NE2-O 2.76Å; N161-L165 WeakPolarHBondContact O-CA 3.27Å; N161-L165 PolarHBondContact O-N 2.79Å; N161-L165 VanDerWaalsContact O-N 3.13Å; L165-F538 HydrophobicContact CD2-CE1 4.46Å; L165-I542 HydrophobicContact CD2-CD1 3.84Å; L165-I542 HydrophobicContact CD2-CG1 4.15Å; L165-I542 HydrophobicContact CD2-CG2 4.32Å
166V96.6Very high92.2Very high28 Ų2824.4 Ų24.417%0.1713%0.132CC..EExtended strand (participates in β ladder)trans-92.5127.4179.8174.50000110.9V160 N161 D164 K168V160-V166 WeakPolarHBondContact CA-O 3.5Å; N161-V166 PolarHBondContact N-O 3.08Å; N161-V166 PolarHBondContact O-N 3.19Å; D164-V166 HydrophobicContact CB-CB 4.43Å; D164-V166 HydrophobicContact CB-CG2 3.79Å; D164-V166 PolarHBondContact O-N 2.76Å; V166-K168 HydrophobicContact CG1-CG 3.98Å
167L98.3Very high91.9Very high1 Ų122.8 Ų22.81%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-104.1136172.9-179.2150.6000110.8N76 F132 Q135 L136 L158 F159 V160N76-L167 WeakPolarHBondContact CA-O 3.31Å; N76-L167 WeakPolarHBondContact CB-O 3.48Å; N76-L167 PolarHBondContact ND2-O 2.76Å; F132-L167 HydrophobicContact CB-CD1 3.72Å; F132-L167 HydrophobicContact CD1-CB 4.28Å; F132-L167 HydrophobicContact CD2-CD1 4.11Å; F132-L167 HydrophobicContact CG-CB 4.4Å; F132-L167 HydrophobicContact CG-CD1 3.92Å; Q135-L167 HydrophobicContact CB-CB 4.13Å; L136-L167 HydrophobicContact CB-CD2 4.16Å; L158-L167 HydrophobicContact CB-CD1 4.34Å; L158-L167 HydrophobicContact CB-CG 4.47Å; L158-L167 HydrophobicContact CD1-CD1 4.39Å; L158-L167 HydrophobicContact CD2-CD2 4.45Å; F159-L167 CarbonylContact O-C 3.53Å; F159-L167 WeakPolarHBondContact O-CA 3.35Å; V160-L167 HydrophobicContact CG2-CD1 4.44Å
168K98.3Very high91.5Very high20 Ų2024.4 Ų24.49%0.08713%0.125CC..EExtended strand (participates in β ladder)trans-133.8137.2179.4-54.7-160.6178.1-152.20113.5D75 N76 V78 E109 M111 F159 V166D75-K168 WeakPolarHBondContact O-CD 3.12Å; D75-K168 WeakPolarHBondContact O-CE 3.5Å; D75-K168 WeakPolarHBondContact O-CG 3.49Å; D75-K168 PolarHBondContact O-NZ 3.19Å; N76-K168 WeakPolarHBondContact O-CA 3.43Å; V78-K168 HydrophobicContact CG2-CB 3.86Å; E109-K168 WeakPolarHBondContact OE1-CD 3.24Å; E109-K168 WeakPolarHBondContact OE1-CE 3.49Å; E109-K168 IonicContact OE1-NZ 2.91Å; E109-K168 PolarHBondContact OE1-NZ 2.9Å; E109-K168 IonicContact OE2-NZ 3.68Å; E109-K168 PolarHBondContact OE2-NZ 2.88Å; M111-K168 HydrophobicContact CE-CB 4.14Å; M111-K168 HydrophobicContact CE-CD 4.11Å; M111-K168 HydrophobicContact CE-CG 3.83Å; M111-K168 HydrophobicContact SD-CD 3.93Å; M111-K168 HydrophobicContact SD-CG 4.32Å; F159-K168 PolarHBondContact N-O 3.01Å; F159-K168 PolarHBondContact O-N 3.46Å; V166-K168 HydrophobicContact CG1-CG 3.98Å
169I98.2Very high90.4Very high0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-83.2132.8177-54.6166.4000109.9N76 V78 L136 L140 I143 L153 L158 F172N76-I169 PolarHBondContact O-N 2.9Å; V78-I169 WeakPolarHBondContact CG2-O 3.36Å; V78-I169 PolarHBondContact N-O 3.2Å; L136-I169 HydrophobicContact CD1-CD1 3.89Å; L136-I169 HydrophobicContact CD1-CG1 3.88Å; L140-I169 HydrophobicContact CD2-CD1 4.14Å; L140-I169 HydrophobicContact CG-CD1 4.1Å; I143-I169 HydrophobicContact CD1-CB 4.39Å; I143-I169 HydrophobicContact CD1-CD1 3.64Å; I143-I169 HydrophobicContact CD1-CG2 4.11Å; L153-I169 HydrophobicContact CD2-CG2 3.89Å; L158-I169 HydrophobicContact CD2-CB 4.27Å; L158-I169 HydrophobicContact CD2-CG1 3.86Å; L158-I169 HydrophobicContact CD2-CG2 4.35Å; I169-F172 HydrophobicContact CG2-CZ 4.23Å
170G93.8Very high88.8Confident1 Ų128.9 Ų28.91%0.0116%0.157CC..  trans-149.5178.6177.900000115.5H150 N157H150-G170 PolarHBondContact NE2-O 3.37Å; N157-G170 WeakPolarHBondContact CB-O 3.43Å; N157-G170 PolarHBondContact O-N 3.43Å
171D87.8Confident87.4Confident37 Ų3736.9 Ų36.920%0.19819%0.194CC..  trans62.267.1-173.2-173.647.7000114N31 K49 N157 G173N31-D171 PolarHBondContact ND2-OD1 3.35Å; N31-D171 PolarHBondContact ND2-OD2 3.38Å; K49-D171 IonicContact NZ-OD1 2.91Å; K49-D171 PolarHBondContact NZ-OD1 2.83Å; N157-D171 WeakPolarHBondContact ND2-CB 3.41Å; N157-D171 PolarHBondContact ND2-OD2 3.29Å; D171-G173 PolarHBondContact O-N 3.36Å; D171-G173 VanDerWaalsContact O-N 3.11Å
172F89.4Confident86.1Confident4 Ų438.6 Ų38.62%0.01820%0.198CC..G310 helixtrans-75.815.1178-70.6-101.6000113.7E65 I68 I69 L72 I77 I143 H150 I169 L174 A175E65-F172 HydrophobicContact CG-CB 4.13Å; I68-F172 HydrophobicContact CG2-CB 4.44Å; I68-F172 HydrophobicContact CG2-CD1 3.8Å; I68-F172 HydrophobicContact CG2-CE1 4.39Å; I68-F172 HydrophobicContact CG2-CG 4.29Å; I69-F172 HydrophobicContact CG2-CB 3.81Å; I69-F172 HydrophobicContact CG2-CD2 3.76Å; I69-F172 HydrophobicContact CG2-CG 3.94Å; L72-F172 HydrophobicContact CD1-CD1 4.16Å; L72-F172 HydrophobicContact CD1-CE1 3.51Å; L72-F172 HydrophobicContact CD1-CZ 3.78Å; I77-F172 HydrophobicContact CG2-CE2 3.83Å; I77-F172 HydrophobicContact CG2-CZ 3.84Å; I143-F172 HydrophobicContact CD1-CE1 3.92Å; I143-F172 HydrophobicContact CD1-CZ 3.8Å; I143-F172 HydrophobicContact CG1-CE1 4.24Å; I143-F172 HydrophobicContact CG1-CZ 4.33Å; I143-F172 HydrophobicContact CG2-CE1 4.45Å; H150-F172 AromaticContact CD2-CD1 3.82Å; H150-F172 AromaticContact CD2-CE1 3.69Å; H150-F172 AromaticContact CD2-CZ 3.96Å; I169-F172 HydrophobicContact CG2-CZ 4.23Å; F172-L174 PolarHBondContact O-N 3.36Å; F172-A175 HydrophobicContact CB-CB 3.97Å; F172-A175 HydrophobicContact CD1-CB 3.99Å; F172-A175 HydrophobicContact CG-CB 4.49Å; F172-A175 WeakPolarHBondContact O-CB 3.36Å; F172-A175 PolarHBondContact O-N 2.84Å
173G83Confident84.8Confident7 Ų741.7 Ų41.77%0.07222%0.219CC..G310 helixtrans-62.2-18-17600000114.8E65 D171E65-G173 WeakPolarHBondContact OE2-CA 3.36Å; D171-G173 PolarHBondContact O-N 3.36Å; D171-G173 VanDerWaalsContact O-N 3.11Å
174L84.7Confident83.5Confident50 Ų5038.6 Ų38.626%0.26221%0.205SC..G310 helixtrans-109.19.7171.9-66.7178.1000113.5R151 D152 F172 V193R151-L174 WeakPolarHBondContact CD-O 3.46Å; R151-L174 PolarHBondContact NH1-O 2.84Å; D152-L174 HydrophobicContact CB-CB 4.13Å; D152-L174 HydrophobicContact CB-CD1 3.85Å; F172-L174 PolarHBondContact O-N 3.36Å; L174-V193 HydrophobicContact CD1-CG1 4.44Å; L174-V193 HydrophobicContact CD1-CG2 3.96Å
175A88.9Confident81.8Confident1 Ų140.5 Ų40.51%0.00821%0.208CC..  trans-65.8158.4178.600000112.5R64 I68 V148 L149 F172R64-A175 WeakPolarHBondContact CD-O 3.02Å; I68-A175 HydrophobicContact CD1-CB 3.74Å; V148-A175 HydrophobicContact CG1-CB 4.18Å; L149-A175 CarbonylContact O-C 3.57Å; L149-A175 WeakPolarHBondContact O-CA 3.12Å; L149-A175 WeakPolarHBondContact O-CB 3.15Å; F172-A175 HydrophobicContact CB-CB 3.97Å; F172-A175 HydrophobicContact CD1-CB 3.99Å; F172-A175 HydrophobicContact CG-CB 4.49Å; F172-A175 WeakPolarHBondContact O-CB 3.36Å; F172-A175 PolarHBondContact O-N 2.84Å
176R86.6Confident79.6Confident14 Ų1442.3 Ų42.35%0.05324%0.236CC..EExtended strand (participates in β ladder)trans-141.7152.4173.4-73.2-66.1173.4124.912.7111.8R64 V148 L149 H184 H187 E337R64-R176 VanDerWaalsContact NH2-CZ 3.33Å; V148-R176 WeakPolarHBondContact CA-O 3.32Å; L149-R176 PolarHBondContact N-O 2.83Å; L149-R176 PolarHBondContact O-N 2.81Å; R176-H184 PolarHBondContact NH1-ND1 3.41Å; R176-H187 PolarHBondContact NH2-O 2.7Å; R176-E337 WeakPolarHBondContact CD-OE1 3.38Å; R176-E337 IonicContact CZ-OE1 3.68Å; R176-E337 IonicContact NE-OE1 2.7Å; R176-E337 IonicContact NH1-OE1 3.48Å; R176-E337 PolarHBondContact NH1-OE1 3.5Å
177I87.9Confident77.1Confident4 Ų445.2 Ų45.22%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-82.8137.9169.2-62.3163.3000108.8H184 F332 D336 E337I177-H184 PolarHBondContact O-NE2 3.44Å; I177-F332 HydrophobicContact CB-CB 4.4Å; I177-F332 HydrophobicContact CD1-CB 3.9Å; I177-F332 HydrophobicContact CD1-CD1 3.94Å; I177-F332 HydrophobicContact CD1-CG 4.24Å; I177-F332 HydrophobicContact CG1-CB 3.76Å; I177-F332 HydrophobicContact CG1-CD1 4.35Å; I177-F332 HydrophobicContact CG1-CG 4.22Å; I177-F332 HydrophobicContact CG2-CB 3.75Å; I177-D336 HydrophobicContact CD1-CB 3.69Å; I177-E337 HydrophobicContact CD1-CB 3.99Å
178M84.6Confident74.7Confident43 Ų4347.8 Ų47.821%0.21226%0.261CS..  trans-85.4127.3174.8-65.8-167.269.900110.9N147 L149 K211N147-M178 HydrophobicContact CB-CB 4.28Å; N147-M178 WeakPolarHBondContact O-CB 3.01Å; N147-M178 PolarHBondContact O-N 3.1Å; L149-M178 HydrophobicContact CD1-CE 4.45Å; L149-M178 HydrophobicContact CD1-CG 3.73Å; L149-M178 HydrophobicContact CD1-SD 4.04Å; L149-M178 HydrophobicContact CD2-CG 4.17Å; L149-M178 HydrophobicContact CD2-SD 3.68Å; L149-M178 HydrophobicContact CG-CG 3.58Å; L149-M178 HydrophobicContact CG-SD 3.8Å; M178-K211 HydrophobicContact CE-CG 4.36Å; M178-K211 HydrophobicContact SD-CD 4.12Å; M178-K211 WeakPolarHBondContact SD-CE 3.25Å; M178-K211 HydrophobicContact SD-CG 3.59Å; M178-K211 VanDerWaalsContact SD-CG 3.59Å
179D74.4Confident72.2Confident39 Ų3950.6 Ų50.621%0.20928%0.283CS..  trans-134.3120.9163.8175.611.1000109.1H181 Y182 I334D179-H181 PolarHBondContact O-N 2.98Å; D179-H181 VanDerWaalsContact O-N 3.14Å; D179-H181 WeakPolarHBondContact OD1-CB 3.33Å; D179-H181 IonicContact OD1-CG 2.77Å; D179-H181 PolarHBondContact OD1-N 2.93Å; D179-Y182 PolarHBondContact O-N 3.44Å; D179-Y182 VanDerWaalsContact OD2-CB 3.25Å; D179-Y182 WeakPolarHBondContact OD2-CB 3.48Å; D179-Y182 PolarHBondContact OD2-N 3.12Å; D179-I334 HydrophobicContact CB-CB 3.92Å; D179-I334 HydrophobicContact CB-CD1 4.17Å; D179-I334 HydrophobicContact CB-CG1 4.24Å; D179-I334 WeakPolarHBondContact OD2-CG2 3.42Å
180P63.9Low69.6Low101 Ų10156.7 Ų56.766%0.65631%0.311SS*.THydrogen-bonded Turntrans-60.3-12.8172.6-23.334.9000115
181H65.8Low67.5Low169 Ų16958.8 Ų58.878%0.78233%0.333SS*.THydrogen-bonded Turntrans-108.3-13.8-177.7-57.6-30.4000113.5D179D179-H181 PolarHBondContact O-N 2.98Å; D179-H181 VanDerWaalsContact O-N 3.14Å; D179-H181 WeakPolarHBondContact OD1-CB 3.33Å; D179-H181 IonicContact OD1-CG 2.77Å; D179-H181 PolarHBondContact OD1-N 2.93Å
182Y65.3Low65.6Low76 Ų7666 Ų6630%0.29837%0.37SS..  trans-108.7113176.6-170.3-90.3000112.3D179 H184 I334D179-Y182 PolarHBondContact O-N 3.44Å; D179-Y182 VanDerWaalsContact OD2-CB 3.25Å; D179-Y182 WeakPolarHBondContact OD2-CB 3.48Å; D179-Y182 PolarHBondContact OD2-N 3.12Å; Y182-H184 AromaticContact CE1-ND1 3.89Å; Y182-H184 PolarHBondContact O-N 3.35Å; Y182-I334 HydrophobicContact CD1-CD1 3.78Å; Y182-I334 HydrophobicContact CD1-CG1 4.29Å; Y182-I334 HydrophobicContact CD2-CG1 4.15Å; Y182-I334 HydrophobicContact CE1-CD1 4.42Å; Y182-I334 HydrophobicContact CG-CD1 3.83Å; Y182-I334 HydrophobicContact CG-CG1 3.84Å
183S61.2Low64.3Low64 Ų6468 Ų6845%0.44838%0.383SS..  trans-86.8112.4175.2-160.70000110.3K185S183-K185 PolarHBondContact O-N 3.28Å; S183-K185 WeakPolarHBondContact OG-CE 3.27Å; S183-K185 WeakPolarHBondContact OG-CG 3.48Å
184H60.1Low63.6Low12 Ų1270.5 Ų70.56%0.05640%0.397CS..  trans-63.723.7179.1-74.9-78.9000115.5R176 I177 Y182 G186 Y209 E337R176-H184 PolarHBondContact NH1-ND1 3.41Å; I177-H184 PolarHBondContact O-NE2 3.44Å; Y182-H184 AromaticContact CE1-ND1 3.89Å; Y182-H184 PolarHBondContact O-N 3.35Å; H184-G186 PolarHBondContact O-N 3.17Å; H184-Y209 HydrophobicContact CB-CD2 4.34Å; H184-Y209 HydrophobicContact CB-CE2 4.5Å; H184-E337 IonicContact CE1-OE1 2.78Å; H184-E337 IonicContact CE1-OE2 2.71Å
185K55.2Low63.7Low143 Ų14370.6 Ų70.662%0.62240%0.395SS*.THydrogen-bonded Turntrans-53.5133179.4-74169-179.7175.90111S183 H187 N207S183-K185 PolarHBondContact O-N 3.28Å; S183-K185 WeakPolarHBondContact OG-CE 3.27Å; S183-K185 WeakPolarHBondContact OG-CG 3.48Å; K185-H187 VanDerWaalsContact C-N 3.27Å; K185-H187 PolarHBondContact O-N 3.11Å; K185-H187 PolarHBondContact O-ND1 3.13Å; K185-N207 WeakPolarHBondContact CA-OD1 3.43Å; K185-N207 HydrophobicContact CG-CB 4.15Å
186G47.7Very low63.9Low74 Ų7475 Ų7576%0.76341%0.412SS*.THydrogen-bonded Turntrans78.8-12.2172.200000116.8H184 L188H184-G186 PolarHBondContact O-N 3.17Å; G186-L188 VanDerWaalsContact C-N 3.29Å; G186-L188 PolarHBondContact O-N 3.01Å; G186-L188 VanDerWaalsContact O-N 3.15Å
187H44.1Very low64.4Low89 Ų8975.4 Ų75.441%0.41241%0.413SS..  trans-91.439.5-171-7383.2000114R176 K185R176-H187 PolarHBondContact NH2-O 2.7Å; K185-H187 VanDerWaalsContact C-N 3.27Å; K185-H187 PolarHBondContact O-N 3.11Å; K185-H187 PolarHBondContact O-ND1 3.13Å
188L48.3Very low64.6Low55 Ų5577.8 Ų77.829%0.28842%0.422SS..  trans-136.5111-164.2-62.7171.9000112.1G186 E190 P206 Y209G186-L188 VanDerWaalsContact C-N 3.29Å; G186-L188 PolarHBondContact O-N 3.01Å; G186-L188 VanDerWaalsContact O-N 3.15Å; L188-E190 PolarHBondContact O-N 2.67Å; L188-P206 WeakPolarHBondContact CD1-O 3.28Å; L188-Y209 HydrophobicContact CD1-CE2 4.11Å; L188-Y209 VanDerWaalsContact CD1-OH 3.27Å; L188-Y209 WeakPolarHBondContact CD1-OH 3.48Å
189S44.5Very low65Low79 Ų7975.8 Ų75.855%0.55241%0.412SS*.  trans-71.8111.1168-540000109.7Q57Q57-S189 PolarHBondContact NE2-OG 3.21Å; Q57-S189 PolarHBondContact OE1-OG 3.36Å
190E45Very low65.8Low129 Ų12974 Ų7460%0.60340%0.402SS*.  trans-85.1121.2175.5-177.1177.5-124.200110.9L188 L471L188-E190 PolarHBondContact O-N 2.67Å; E190-L471 WeakPolarHBondContact OE1-CD2 3.47Å; E190-L471 WeakPolarHBondContact OE2-CD1 3.29Å
191G49.1Very low66.9Low44 Ų4470.3 Ų70.345%0.45438%0.375SS..SBendtrans153.9149170.400000113.9V193G191-V193 VanDerWaalsContact C-N 3.35Å; G191-V193 PolarHBondContact O-N 2.87Å; G191-V193 VanDerWaalsContact O-N 3.13Å
192L47.8Very low67.8Low189 Ų18963.5 Ų63.599%0.9935%0.345SS*.SBendtrans60.721.2160-51.3178.6000118.7
193V61.6Low68.8Low46 Ų4660.5 Ų60.528%0.27933%0.334SS..SBendtrans-106.6141.6169.7-175.50000111L174 G191 K195L174-V193 HydrophobicContact CD1-CG1 4.44Å; L174-V193 HydrophobicContact CD1-CG2 3.96Å; G191-V193 VanDerWaalsContact C-N 3.35Å; G191-V193 PolarHBondContact O-N 2.87Å; G191-V193 VanDerWaalsContact O-N 3.13Å; V193-K195 PolarHBondContact O-N 3.06Å
194T70Confident69.8Low59 Ų5958.3 Ų58.336%0.36232%0.317SS..  trans-54.9126.7178.6-53.70000111.8W196 Y197T194-W196 HydrophobicContact CG2-CB 4.19Å; T194-W196 HydrophobicContact CG2-CD2 3.75Å; T194-W196 HydrophobicContact CG2-CE3 3.74Å; T194-W196 HydrophobicContact CG2-CG 3.95Å; T194-W196 HydrophobicContact CG2-CZ3 4.47Å; T194-Y197 HydrophobicContact CG2-CD2 4.18Å; T194-Y197 HydrophobicContact CG2-CE2 3.86Å
195K85.5Confident70.5Confident52 Ų5259.7 Ų59.723%0.22633%0.328CS..  trans-89.8-15.8-170.5-58.6176.3-174.3-172.10113.5V193 Y197 R198 E237 Q240V193-K195 PolarHBondContact O-N 3.06Å; K195-Y197 VanDerWaalsContact C-N 3.27Å; K195-Y197 PolarHBondContact O-N 2.9Å; K195-R198 WeakPolarHBondContact O-CB 3.33Å; K195-R198 WeakPolarHBondContact O-CG 3.12Å; K195-R198 PolarHBondContact O-N 3.16Å; K195-E237 VanDerWaalsContact CD-OE1 3.23Å; K195-E237 WeakPolarHBondContact CD-OE1 3.45Å; K195-E237 WeakPolarHBondContact CE-OE1 3.48Å; K195-E237 IonicContact NZ-OE1 3.77Å; K195-E237 PolarHBondContact NZ-OE1 2.76Å; K195-E237 IonicContact NZ-OE2 2.72Å; K195-E237 PolarHBondContact NZ-OE2 3.48Å; K195-Q240 PolarHBondContact O-NE2 3.02Å
196W94.3Very high71Confident95 Ų9555.3 Ų55.336%0.3631%0.314SS..THydrogen-bonded Turntrans-64.1-26.6-166.2-54.4-24.6000114.9T194 T230 F232 G234 Q240T194-W196 HydrophobicContact CG2-CB 4.19Å; T194-W196 HydrophobicContact CG2-CD2 3.75Å; T194-W196 HydrophobicContact CG2-CE3 3.74Å; T194-W196 HydrophobicContact CG2-CG 3.95Å; T194-W196 HydrophobicContact CG2-CZ3 4.47Å; W196-T230 HydrophobicContact CB-CG2 3.67Å; W196-T230 HydrophobicContact CD2-CG2 3.92Å; W196-T230 HydrophobicContact CE3-CG2 3.63Å; W196-T230 HydrophobicContact CG-CG2 3.97Å; W196-T230 HydrophobicContact CZ3-CG2 4.48Å; W196-F232 VanDerWaalsContact CA-O 3.27Å; W196-F232 WeakPolarHBondContact CA-O 3.37Å; W196-F232 VanDerWaalsContact CB-O 3.26Å; W196-F232 WeakPolarHBondContact CB-O 3.11Å; W196-G234 VanDerWaalsContact CD1-O 3.29Å; W196-G234 PolarHBondContact NE1-O 3.27Å; W196-Q240 PolarHBondContact O-NE2 3.42Å
197Y95.3Very high71.8Confident21 Ų2154.6 Ų54.68%0.08229%0.293CS..THydrogen-bonded Turntrans-99.73.2-179.7-46.4-78.7000112.9L153 K154 P155 T194 K195 C220 I221 E224L153-Y197 VanDerWaalsContact O-CB 3.3Å; L153-Y197 WeakPolarHBondContact O-CB 3.48Å; K154-Y197 HydrophobicContact CB-CD2 3.56Å; K154-Y197 HydrophobicContact CB-CE2 3.56Å; K154-Y197 HydrophobicContact CB-CG 4.27Å; P155-Y197 VanDerWaalsContact CD-OH 3.27Å; P155-Y197 WeakPolarHBondContact CD-OH 3.47Å; P155-Y197 HydrophobicContact CG-CE1 4.32Å; T194-Y197 HydrophobicContact CG2-CD2 4.18Å; T194-Y197 HydrophobicContact CG2-CE2 3.86Å; K195-Y197 VanDerWaalsContact C-N 3.27Å; K195-Y197 PolarHBondContact O-N 2.9Å; Y197-C220 HydrophobicContact CD1-CB 3.9Å; Y197-C220 HydrophobicContact CE1-CB 4.5Å; Y197-I221 HydrophobicContact CD1-CG1 3.91Å; Y197-I221 HydrophobicContact CE1-CG1 4Å; Y197-E224 WeakPolarHBondContact CE1-OE2 3.09Å; Y197-E224 PolarHBondContact OH-OE2 3.25Å; Y197-E224 VanDerWaalsContact OH-OE2 3.05Å
198R92.4Very high72.9Confident55 Ų5554 Ų5421%0.20829%0.293CS..  trans-74.2135.3179.4-65.5-177.8177.2-179.8-2.1111.2K195 L202 L203 W216 E237K195-R198 WeakPolarHBondContact O-CB 3.33Å; K195-R198 WeakPolarHBondContact O-CG 3.12Å; K195-R198 PolarHBondContact O-N 3.16Å; R198-L202 HydrophobicContact CB-CD2 4.1Å; R198-L202 HydrophobicContact CG-CD2 4Å; R198-L203 HydrophobicContact CB-CD2 4.09Å; R198-L203 HydrophobicContact CB-CG 4.19Å; R198-W216 PolarHBondContact O-NE1 3.17Å; R198-W216 VanDerWaalsContact O-NE1 3.1Å; R198-E237 IonicContact NH1-OE1 3.23Å; R198-E237 PolarHBondContact NH1-OE1 2.84Å
199S92.9Very high74.2Confident1 Ų152.9 Ų52.91%0.00729%0.285CS..  trans-76.5159.6178.877.70000112.9R201 L202 L203 W216S199-R201 VanDerWaalsContact C-N 3.28Å; S199-R201 PolarHBondContact O-N 3.03Å; S199-L202 PolarHBondContact O-N 3.28Å; S199-L202 VanDerWaalsContact O-N 3.1Å; S199-L202 WeakPolarHBondContact OG-CB 3.31Å; S199-L202 PolarHBondContact OG-N 3.25Å; S199-L203 WeakPolarHBondContact O-CG 3.23Å; S199-L203 PolarHBondContact O-N 2.94Å; S199-L203 VanDerWaalsContact O-N 3.09Å; S199-W216 VanDerWaalsContact CB-CG 3.48Å
200P92.1Very high76.3Confident0 Ų050.9 Ų50.90%027%0.269CS..Hα-helixtrans-60-40.3-179-15.625.7000111.9L202 L203 L204 W216 M241 I244 F299P200-L202 VanDerWaalsContact C-N 3.35Å; P200-L202 PolarHBondContact O-N 2.73Å; P200-L203 PolarHBondContact O-N 2.73Å; P200-L204 PolarHBondContact O-N 3.32Å; P200-W216 HydrophobicContact CG-CE3 4.29Å; P200-W216 HydrophobicContact CG-CH2 3.85Å; P200-W216 HydrophobicContact CG-CZ2 4.25Å; P200-W216 HydrophobicContact CG-CZ3 3.87Å; P200-M241 HydrophobicContact CB-CE 4.14Å; P200-M241 HydrophobicContact CB-SD 4.46Å; P200-M241 WeakPolarHBondContact O-CE 3.46Å; P200-I244 HydrophobicContact CB-CG2 4.34Å; P200-I244 HydrophobicContact CG-CD1 4.39Å; P200-I244 HydrophobicContact CG-CG2 3.87Å; P200-F299 HydrophobicContact CB-CD2 3.82Å; P200-F299 HydrophobicContact CB-CE1 4.42Å; P200-F299 HydrophobicContact CB-CE2 3.42Å; P200-F299 VanDerWaalsContact CB-CE2 3.42Å; P200-F299 HydrophobicContact CB-CG 4.47Å; P200-F299 HydrophobicContact CB-CZ 3.75Å; P200-F299 HydrophobicContact CG-CD2 3.97Å; P200-F299 HydrophobicContact CG-CE2 4.09Å
201R87.5Confident78.6Confident24 Ų2447.9 Ų47.99%0.09125%0.254CS..Hα-helixtrans-63.1-37.5176.8-176.254.957.1-172.9-4.1112.5S199 S205 D255 E258 P301S199-R201 VanDerWaalsContact C-N 3.28Å; S199-R201 PolarHBondContact O-N 3.03Å; R201-S205 CarbonylContact O-C 3.56Å; R201-S205 PolarHBondContact O-N 3.1Å; R201-D255 IonicContact NH2-OD1 2.76Å; R201-D255 PolarHBondContact NH2-OD1 3.43Å; R201-E258 IonicContact CZ-OE1 3.13Å; R201-E258 IonicContact CZ-OE2 2.67Å; R201-E258 IonicContact NH1-OE1 2.66Å; R201-E258 PolarHBondContact NH1-OE1 2.98Å; R201-E258 IonicContact NH1-OE2 2.73Å; R201-E258 PolarHBondContact NH1-OE2 2.91Å; R201-E258 IonicContact NH2-OE2 3.29Å; R201-E258 PolarHBondContact NH2-OE2 3.36Å; R201-P301 HydrophobicContact CB-CG 4.49Å; R201-P301 HydrophobicContact CG-CG 4.23Å
202L84.3Confident80.7Confident27 Ų2746.5 Ų46.514%0.14124%0.238CC..Hα-helixtrans-71.2-29.7176.6-177.662.2000112.6R198 S199 P200 Y209R198-L202 HydrophobicContact CB-CD2 4.1Å; R198-L202 HydrophobicContact CG-CD2 4Å; S199-L202 PolarHBondContact O-N 3.28Å; S199-L202 VanDerWaalsContact O-N 3.1Å; S199-L202 WeakPolarHBondContact OG-CB 3.31Å; S199-L202 PolarHBondContact OG-N 3.25Å; P200-L202 VanDerWaalsContact C-N 3.35Å; P200-L202 PolarHBondContact O-N 2.73Å; L202-Y209 HydrophobicContact CD1-CD1 4.44Å; L202-Y209 HydrophobicContact CD1-CE1 3.64Å
203L86.4Confident82.9Confident12 Ų1237.8 Ų37.86%0.06319%0.193CC..Hα-helixtrans-77.7-32.4174.9-66.3168.4000112.9R198 S199 P200 E237 Q240 M241 I244R198-L203 HydrophobicContact CB-CD2 4.09Å; R198-L203 HydrophobicContact CB-CG 4.19Å; S199-L203 WeakPolarHBondContact O-CG 3.23Å; S199-L203 PolarHBondContact O-N 2.94Å; S199-L203 VanDerWaalsContact O-N 3.09Å; P200-L203 PolarHBondContact O-N 2.73Å; L203-E237 HydrophobicContact CD2-CB 4.25Å; L203-E237 HydrophobicContact CD2-CG 4.05Å; L203-Q240 HydrophobicContact CD1-CB 4.14Å; L203-Q240 HydrophobicContact CD1-CG 3.7Å; L203-Q240 HydrophobicContact CD2-CG 4.44Å; L203-M241 HydrophobicContact CB-CE 3.8Å; L203-M241 HydrophobicContact CD1-CB 4.48Å; L203-M241 HydrophobicContact CD1-CE 4.25Å; L203-I244 HydrophobicContact CD1-CD1 3.96Å
204L82.4Confident84.6Confident18 Ų1835.7 Ų35.79%0.09418%0.18CC..Hα-helixtrans-79.4-46175.5-72.9174000113P200 M241 L259 V262 I263 F299P200-L204 PolarHBondContact O-N 3.32Å; L204-M241 HydrophobicContact CD1-CE 4.46Å; L204-M241 HydrophobicContact CD2-CE 4.19Å; L204-M241 HydrophobicContact CG-CE 3.84Å; L204-L259 HydrophobicContact CD1-CD2 4.23Å; L204-L259 HydrophobicContact CD1-CG 4.44Å; L204-L259 HydrophobicContact CD2-CD2 4.16Å; L204-V262 HydrophobicContact CD2-CB 4.28Å; L204-V262 HydrophobicContact CD2-CG1 4.04Å; L204-V262 HydrophobicContact CD2-CG2 4.5Å; L204-I263 HydrophobicContact CD2-CD1 4.07Å; L204-I263 HydrophobicContact CD2-CG1 4.35Å; L204-F299 HydrophobicContact CD1-CE1 4.48Å; L204-F299 HydrophobicContact CD1-CZ 4.06Å
205S74.9Confident85.9Confident42 Ų4232.9 Ų32.929%0.29416%0.163SC..  trans-13683.5-170.3-83.80000110.2R201 N207 N208R201-S205 CarbonylContact O-C 3.56Å; R201-S205 PolarHBondContact O-N 3.1Å; S205-N207 PolarHBondContact O-N 2.84Å; S205-N208 PolarHBondContact O-N 3.01Å
206P64.8Low86.5Confident50 Ų5030.4 Ų30.433%0.32515%0.152SC..THydrogen-bonded Turntrans-68.913.2-175.829.5-37000114.8L188 Y209L188-P206 WeakPolarHBondContact CD1-O 3.28Å; P206-Y209 WeakPolarHBondContact O-CE2 3.42Å; P206-Y209 PolarHBondContact O-OH 2.6Å
207N64.4Low86.7Confident60 Ų6026.1 Ų26.132%0.32114%0.137SC..THydrogen-bonded Turntrans-117.9-8174.3-59.5-59.9000113.2K185 S205 Y209K185-N207 WeakPolarHBondContact CA-OD1 3.43Å; K185-N207 HydrophobicContact CG-CB 4.15Å; S205-N207 PolarHBondContact O-N 2.84Å; N207-Y209 PolarHBondContact O-N 3.05Å
208N67.4Low86.8Confident76 Ų7625.1 Ų25.141%0.40613%0.133SC..  trans-96.384.9-179.3-170.7-9000110.3S205S205-N208 PolarHBondContact O-N 3.01Å
209Y75.1Confident87.1Confident32 Ų3222.5 Ų22.513%0.12512%0.123CC..  trans-93.7122-173.3-71-75000112.3R151 H184 L188 L202 P206 N207 I213R151-Y209 HydrophobicContact CG-CD1 4.42Å; R151-Y209 PolarHBondContact NH2-OH 3.09Å; H184-Y209 HydrophobicContact CB-CD2 4.34Å; H184-Y209 HydrophobicContact CB-CE2 4.5Å; L188-Y209 HydrophobicContact CD1-CE2 4.11Å; L188-Y209 VanDerWaalsContact CD1-OH 3.27Å; L188-Y209 WeakPolarHBondContact CD1-OH 3.48Å; L202-Y209 HydrophobicContact CD1-CD1 4.44Å; L202-Y209 HydrophobicContact CD1-CE1 3.64Å; P206-Y209 WeakPolarHBondContact O-CE2 3.42Å; P206-Y209 PolarHBondContact O-OH 2.6Å; N207-Y209 PolarHBondContact O-N 3.05Å; Y209-I213 HydrophobicContact CD1-CD1 3.64Å; Y209-I213 HydrophobicContact CE1-CD1 4.36Å
210T88.4Confident87.4Confident37 Ų3722.5 Ų22.523%0.22712%0.123CC..  trans-140.4159178.758.90000111.5A212 I213T210-A212 PolarHBondContact O-N 2.98Å; T210-I213 VanDerWaalsContact O-CG1 3.26Å; T210-I213 WeakPolarHBondContact O-CG1 3.37Å; T210-I213 WeakPolarHBondContact O-CG2 3.46Å; T210-I213 PolarHBondContact O-N 3.45Å
211K93.4Very high87.7Confident66 Ų6622.5 Ų22.529%0.28712%0.123SC..THydrogen-bonded Turntrans-50.7-31.6177-66.1170.5-178-170.90112.7H144 L149 M178 I213 D214 M215H144-K211 HydrophobicContact CB-CD 3.89Å; H144-K211 HydrophobicContact CB-CG 4.05Å; H144-K211 PolarHBondContact CE1-O 3.33Å; H144-K211 VanDerWaalsContact CE1-O 3.24Å; H144-K211 WeakPolarHBondContact O-CE 3.47Å; H144-K211 PolarHBondContact O-NZ 2.95Å; L149-K211 VanDerWaalsContact CD2-CA 3.48Å; L149-K211 HydrophobicContact CD2-CB 4.33Å; L149-K211 HydrophobicContact CD2-CG 3.95Å; M178-K211 HydrophobicContact CE-CG 4.36Å; M178-K211 HydrophobicContact SD-CD 4.12Å; M178-K211 WeakPolarHBondContact SD-CE 3.25Å; M178-K211 HydrophobicContact SD-CG 3.59Å; M178-K211 VanDerWaalsContact SD-CG 3.59Å; K211-I213 PolarHBondContact O-N 3.33Å; K211-D214 PolarHBondContact O-N 3.07Å; K211-M215 PolarHBondContact O-N 3.25Å
212A94.1Very high88.2Confident14 Ų1421.4 Ų21.412%0.11612%0.119CC..Hα-helixtrans-61.3-20.4177.300000114.8T210 W216 P301 R304T210-A212 PolarHBondContact O-N 2.98Å; A212-W216 PolarHBondContact O-N 3.34Å; A212-W216 VanDerWaalsContact O-N 3.11Å; A212-P301 HydrophobicContact CB-CB 3.69Å; A212-P301 WeakPolarHBondContact CB-O 3.49Å; A212-R304 HydrophobicContact CB-CB 4.46Å; A212-R304 WeakPolarHBondContact O-CD 3.46Å; A212-R304 PolarHBondContact O-NH1 3.31Å
213I93.6Very high88.9Confident6 Ų620.1 Ų20.13%0.03111%0.112CC..Hα-helixtrans-71.4-38.1177.675.1-165000111.9L149 R151 Y209 T210 K211 A217L149-I213 HydrophobicContact CD1-CD1 4.21Å; R151-I213 HydrophobicContact CG-CD1 4.08Å; Y209-I213 HydrophobicContact CD1-CD1 3.64Å; Y209-I213 HydrophobicContact CE1-CD1 4.36Å; T210-I213 VanDerWaalsContact O-CG1 3.26Å; T210-I213 WeakPolarHBondContact O-CG1 3.37Å; T210-I213 WeakPolarHBondContact O-CG2 3.46Å; T210-I213 PolarHBondContact O-N 3.45Å; K211-I213 PolarHBondContact O-N 3.33Å; I213-A217 PolarHBondContact O-N 2.85Å
214D96.5Very high89.4Confident2 Ų220.1 Ų20.11%0.01111%0.112CC..Hα-helixtrans-72.7-39.5177.8-71.1-20.5000109.8L140 H144 L149 H150 R151 L153 K211 W216 A217 A218L140-D214 HydrophobicContact CD2-CB 4.27Å; H144-D214 IonicContact CD2-OD2 3.48Å; H144-D214 IonicContact CE1-OD2 3.99Å; H144-D214 WeakPolarHBondContact NE2-CB 3.46Å; H144-D214 IonicContact NE2-OD2 3.3Å; H144-D214 PolarHBondContact NE2-OD2 3.29Å; L149-D214 WeakPolarHBondContact CA-OD2 3.06Å; H150-D214 PolarHBondContact N-OD1 2.95Å; H150-D214 PolarHBondContact N-OD2 3.46Å; R151-D214 PolarHBondContact N-OD1 2.91Å; L153-D214 HydrophobicContact CD1-CB 3.6Å; K211-D214 PolarHBondContact O-N 3.07Å; D214-W216 VanDerWaalsContact C-N 3.32Å; D214-W216 PolarHBondContact O-N 2.85Å; D214-A217 WeakPolarHBondContact O-CB 3.49Å; D214-A217 PolarHBondContact O-N 3.11Å; D214-A217 VanDerWaalsContact O-N 3.17Å; D214-A218 PolarHBondContact O-N 3.17Å
215M98.4Very high90.2Very high0 Ų019.3 Ų19.30%011%0.108CC..Hα-helixtrans-59.1-41.2173.7-66.3-56.9-58.600112.4L137 L140 K211 A218 G219 I296 R304 L305 A307 A310L137-M215 HydrophobicContact CD2-CE 3.54Å; L137-M215 HydrophobicContact CD2-SD 4.21Å; L140-M215 HydrophobicContact CD1-SD 4.42Å; K211-M215 PolarHBondContact O-N 3.25Å; M215-A218 PolarHBondContact O-N 3.04Å; M215-G219 PolarHBondContact O-N 3.33Å; M215-I296 HydrophobicContact CE-CD1 4.3Å; M215-I296 WeakPolarHBondContact O-CG2 3.46Å; M215-R304 HydrophobicContact CB-CG 4.34Å; M215-L305 WeakPolarHBondContact CE-O 3.28Å; M215-A307 HydrophobicContact SD-CB 3.83Å; M215-A307 PolarHBondContact SD-N 2.77Å; M215-A307 VanDerWaalsContact SD-N 3.41Å; M215-A310 HydrophobicContact CE-CB 3.84Å
216W97.9Very high91.2Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-60.7-46.1174.1171-81.8000111.8R198 S199 P200 A212 D214 A218 G219 C220 F232 I244 I248 L297 T298R198-W216 PolarHBondContact O-NE1 3.17Å; R198-W216 VanDerWaalsContact O-NE1 3.1Å; S199-W216 VanDerWaalsContact CB-CG 3.48Å; P200-W216 HydrophobicContact CG-CE3 4.29Å; P200-W216 HydrophobicContact CG-CH2 3.85Å; P200-W216 HydrophobicContact CG-CZ2 4.25Å; P200-W216 HydrophobicContact CG-CZ3 3.87Å; A212-W216 PolarHBondContact O-N 3.34Å; A212-W216 VanDerWaalsContact O-N 3.11Å; D214-W216 VanDerWaalsContact C-N 3.32Å; D214-W216 PolarHBondContact O-N 2.85Å; W216-A218 VanDerWaalsContact C-N 3.32Å; W216-A218 PolarHBondContact O-N 3.31Å; W216-G219 PolarHBondContact O-N 3.42Å; W216-G219 VanDerWaalsContact O-N 3.12Å; W216-C220 PolarHBondContact O-N 3.29Å; W216-F232 AromaticContact CH2-CE2 3.85Å; W216-F232 HydrophobicContact CH2-CE2 3.85Å; W216-F232 AromaticContact CZ2-CD2 3.84Å; W216-F232 HydrophobicContact CZ2-CD2 3.84Å; W216-F232 AromaticContact CZ2-CE2 3.49Å; W216-F232 HydrophobicContact CZ2-CE2 3.49Å; W216-F232 VanDerWaalsContact CZ2-CE2 3.49Å; W216-I244 HydrophobicContact CH2-CD1 4.23Å; W216-I244 HydrophobicContact CH2-CG1 4.1Å; W216-I244 HydrophobicContact CH2-CG2 4.08Å; W216-I244 HydrophobicContact CZ2-CD1 3.62Å; W216-I244 HydrophobicContact CZ2-CG1 3.76Å; W216-I248 HydrophobicContact CH2-CG1 4.06Å; W216-I248 HydrophobicContact CZ3-CG1 4.47Å; W216-L297 HydrophobicContact CD2-CD2 4Å; W216-L297 HydrophobicContact CE3-CD2 3.9Å; W216-L297 HydrophobicContact CH2-CD2 4.36Å; W216-L297 HydrophobicContact CZ2-CD2 4.43Å; W216-L297 HydrophobicContact CZ3-CB 4.25Å; W216-L297 HydrophobicContact CZ3-CD2 4.1Å; W216-T298 WeakPolarHBondContact CZ3-O 3.49Å
217A97.8Very high92.7Very high5 Ų517.4 Ų17.44%0.0419%0.092CC..Hα-helixtrans-61-41.8177.500000111.6L153 I213 D214 G219 C220 I221L153-A217 HydrophobicContact CB-CB 3.76Å; L153-A217 HydrophobicContact CD1-CB 4.38Å; I213-A217 PolarHBondContact O-N 2.85Å; D214-A217 WeakPolarHBondContact O-CB 3.49Å; D214-A217 PolarHBondContact O-N 3.11Å; D214-A217 VanDerWaalsContact O-N 3.17Å; A217-G219 VanDerWaalsContact C-N 3.32Å; A217-G219 PolarHBondContact O-N 3.11Å; A217-C220 WeakPolarHBondContact O-CB 3.27Å; A217-C220 PolarHBondContact O-N 2.75Å; A217-I221 WeakPolarHBondContact O-CD1 3.27Å; A217-I221 VanDerWaalsContact O-CG1 3.25Å; A217-I221 WeakPolarHBondContact O-CG1 3.1Å; A217-I221 PolarHBondContact O-N 3.38Å
218A98.6Very high94.1Very high0 Ų015.8 Ų15.80%09%0.09CC..Hα-helixtrans-60.6-38.2173.200000112.6M133 L136 L140 D214 M215 W216 I221 F222M133-A218 HydrophobicContact CE-CB 4Å; M133-A218 HydrophobicContact SD-CB 4.3Å; L136-A218 HydrophobicContact CD2-CB 3.69Å; L136-A218 HydrophobicContact CG-CB 4.24Å; L140-A218 HydrophobicContact CD1-CB 4.01Å; D214-A218 PolarHBondContact O-N 3.17Å; M215-A218 PolarHBondContact O-N 3.04Å; W216-A218 VanDerWaalsContact C-N 3.32Å; W216-A218 PolarHBondContact O-N 3.31Å; A218-I221 PolarHBondContact O-N 3.37Å; A218-F222 WeakPolarHBondContact O-CB 3.4Å; A218-F222 PolarHBondContact O-N 3.25Å
219G98.4Very high95.4Very high0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-61.5-46172.400000113.2M215 W216 A217 F222 S223 L293M215-G219 PolarHBondContact O-N 3.33Å; W216-G219 PolarHBondContact O-N 3.42Å; W216-G219 VanDerWaalsContact O-N 3.12Å; A217-G219 VanDerWaalsContact C-N 3.32Å; A217-G219 PolarHBondContact O-N 3.11Å; G219-F222 PolarHBondContact O-N 3.12Å; G219-S223 PolarHBondContact O-N 3.13Å; G219-S223 VanDerWaalsContact O-N 3.07Å; G219-S223 PolarHBondContact O-OG 3.37Å; G219-L293 WeakPolarHBondContact O-CD2 3.24Å
220C98.4Very high96.4Very high2 Ų219.9 Ų19.91%0.01411%0.108CC..Hα-helixtrans-58.7-49.7173.5-71.10000111.2Y197 W216 A217 F222 S223 E224Y197-C220 HydrophobicContact CD1-CB 3.9Å; Y197-C220 HydrophobicContact CE1-CB 4.5Å; W216-C220 PolarHBondContact O-N 3.29Å; A217-C220 WeakPolarHBondContact O-CB 3.27Å; A217-C220 PolarHBondContact O-N 2.75Å; C220-F222 VanDerWaalsContact C-N 3.34Å; C220-F222 PolarHBondContact O-N 3.25Å; C220-S223 PolarHBondContact O-N 3.15Å; C220-S223 PolarHBondContact O-OG 3.28Å; C220-E224 WeakPolarHBondContact O-CB 3.28Å; C220-E224 PolarHBondContact O-N 2.97Å
221I98.5Very high96.7Very high0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-59.9-42.4179.7-67.5163.3000111.3L115 L153 P155 L158 Y197 A217 A218 E224 M225L115-I221 HydrophobicContact CD2-CG2 3.65Å; L153-I221 HydrophobicContact CB-CD1 4.25Å; P155-I221 HydrophobicContact CG-CG1 4.29Å; L158-I221 HydrophobicContact CD1-CD1 4.01Å; L158-I221 HydrophobicContact CD1-CG2 3.93Å; Y197-I221 HydrophobicContact CD1-CG1 3.91Å; Y197-I221 HydrophobicContact CE1-CG1 4Å; A217-I221 WeakPolarHBondContact O-CD1 3.27Å; A217-I221 VanDerWaalsContact O-CG1 3.25Å; A217-I221 WeakPolarHBondContact O-CG1 3.1Å; A217-I221 PolarHBondContact O-N 3.38Å; A218-I221 PolarHBondContact O-N 3.37Å; I221-E224 PolarHBondContact O-N 2.86Å; I221-M225 HydrophobicContact CG2-CE 4.44Å; I221-M225 WeakPolarHBondContact O-CG 3.44Å; I221-M225 PolarHBondContact O-N 3.24Å
222F98.6Very high96.9Very high0 Ų016.3 Ų16.30%09%0.091CC..Hα-helixtrans-64.5-42.4177.5177.1-123.1000112.5A129 M133 A218 G219 C220 E224 M225 L226 A289 F292 L293 Y315A129-F222 HydrophobicContact CB-CD2 4.39Å; A129-F222 HydrophobicContact CB-CE2 4.03Å; M133-F222 HydrophobicContact CB-CB 4.45Å; M133-F222 HydrophobicContact CB-CD2 3.65Å; M133-F222 HydrophobicContact CB-CE2 4.21Å; M133-F222 HydrophobicContact CB-CG 4.16Å; M133-F222 HydrophobicContact CE-CB 4.01Å; M133-F222 HydrophobicContact CE-CG 4.48Å; M133-F222 HydrophobicContact CG-CB 4.04Å; M133-F222 HydrophobicContact CG-CD1 4.49Å; M133-F222 HydrophobicContact CG-CD2 3.88Å; M133-F222 HydrophobicContact CG-CG 3.87Å; M133-F222 HydrophobicContact SD-CB 3.81Å; M133-F222 HydrophobicContact SD-CG 4.31Å; A218-F222 WeakPolarHBondContact O-CB 3.4Å; A218-F222 PolarHBondContact O-N 3.25Å; G219-F222 PolarHBondContact O-N 3.12Å; C220-F222 VanDerWaalsContact C-N 3.34Å; C220-F222 PolarHBondContact O-N 3.25Å; F222-E224 VanDerWaalsContact C-N 3.25Å; F222-E224 PolarHBondContact O-N 3.04Å; F222-M225 HydrophobicContact CB-CE 4.42Å; F222-M225 HydrophobicContact CD2-CE 4.08Å; F222-M225 PolarHBondContact O-N 3.46Å; F222-L226 HydrophobicContact CD1-CD1 4.3Å; F222-L226 HydrophobicContact CD2-CD1 4.44Å; F222-L226 HydrophobicContact CD2-CG 4.44Å; F222-L226 HydrophobicContact CE1-CD1 3.74Å; F222-L226 HydrophobicContact CE2-CD1 3.92Å; F222-L226 HydrophobicContact CE2-CD2 4.19Å; F222-L226 HydrophobicContact CE2-CG 3.99Å; F222-L226 HydrophobicContact CZ-CD1 3.52Å; F222-L226 HydrophobicContact CZ-CD2 4.29Å; F222-L226 HydrophobicContact CZ-CG 4.09Å; F222-L226 WeakPolarHBondContact O-CG 3.4Å; F222-L226 PolarHBondContact O-N 2.72Å; F222-L226 VanDerWaalsContact O-N 3.14Å; F222-A289 HydrophobicContact CE1-CB 4.32Å; F222-A289 HydrophobicContact CZ-CB 4.15Å; F222-F292 AromaticContact CD1-CD1 3.95Å; F222-F292 HydrophobicContact CD1-CD1 3.95Å; F222-F292 HydrophobicContact CD1-CE1 4.08Å; F222-F292 AromaticContact CE1-CD1 3.7Å; F222-F292 HydrophobicContact CE1-CD1 3.7Å; F222-F292 HydrophobicContact CE1-CE1 4.18Å; F222-L293 HydrophobicContact CD1-CD1 4.18Å; F222-L293 HydrophobicContact CD1-CD2 3.66Å; F222-L293 HydrophobicContact CD1-CG 3.72Å; F222-L293 HydrophobicContact CE1-CD1 4.15Å; F222-L293 HydrophobicContact CE1-CD2 4.35Å; F222-L293 HydrophobicContact CE1-CG 3.9Å; F222-Y315 AromaticContact CE1-CE1 3.97Å; F222-Y315 HydrophobicContact CE1-CE1 3.97Å; F222-Y315 HydrophobicContact CE2-CE1 4.09Å; F222-Y315 HydrophobicContact CZ-CD1 4.37Å; F222-Y315 AromaticContact CZ-CE1 3.35Å; F222-Y315 HydrophobicContact CZ-CE1 3.35Å; F222-Y315 AromaticContact CZ-CZ 3.7Å
223S98.1Very high96.9Very high0 Ų018.3 Ų18.30%011%0.107CC..Hα-helixtrans-64.2-31.1174.470.80000113.2G219 C220 T227 L231G219-S223 PolarHBondContact O-N 3.13Å; G219-S223 VanDerWaalsContact O-N 3.07Å; G219-S223 PolarHBondContact O-OG 3.37Å; C220-S223 PolarHBondContact O-N 3.15Å; C220-S223 PolarHBondContact O-OG 3.28Å; S223-T227 PolarHBondContact O-N 2.72Å; S223-T227 PolarHBondContact O-OG1 2.88Å; S223-L231 WeakPolarHBondContact OG-CB 3.27Å; S223-L231 WeakPolarHBondContact OG-CD2 3.3Å
224E97.6Very high96.9Very high13 Ų1318 Ų186%0.06111%0.106CC..Hα-helixtrans-74.9-38.8175.9-177.5166.7-141.600111.6L119 Y197 C220 I221 F222 L226 T227 G228 K229 T230L119-E224 HydrophobicContact CD1-CG 4.03Å; Y197-E224 WeakPolarHBondContact CE1-OE2 3.09Å; Y197-E224 PolarHBondContact OH-OE2 3.25Å; Y197-E224 VanDerWaalsContact OH-OE2 3.05Å; C220-E224 WeakPolarHBondContact O-CB 3.28Å; C220-E224 PolarHBondContact O-N 2.97Å; I221-E224 PolarHBondContact O-N 2.86Å; F222-E224 VanDerWaalsContact C-N 3.25Å; F222-E224 PolarHBondContact O-N 3.04Å; E224-L226 VanDerWaalsContact C-N 3.28Å; E224-L226 PolarHBondContact O-N 2.98Å; E224-T227 PolarHBondContact O-N 3.47Å; E224-T227 VanDerWaalsContact O-N 3.15Å; E224-G228 WeakPolarHBondContact O-CA 3.29Å; E224-G228 PolarHBondContact O-N 2.72Å; E224-K229 WeakPolarHBondContact CA-O 3.26Å; E224-K229 WeakPolarHBondContact CG-O 3.42Å; E224-T230 WeakPolarHBondContact OE1-CA 3.35Å; E224-T230 VanDerWaalsContact OE1-CB 3.28Å; E224-T230 WeakPolarHBondContact OE1-CB 3.41Å; E224-T230 PolarHBondContact OE1-N 3.01Å; E224-T230 PolarHBondContact OE1-OG1 2.59Å
225M98.1Very high96.6Very high0 Ų021.8 Ų21.80%014%0.137CC..Hα-helixtrans-57.8-39.8170.3-71.8-167.5-6800112.7L115 L119 M124 A129 F132 M133 I221 F222 T227L115-M225 HydrophobicContact CD1-CG 4.12Å; L115-M225 HydrophobicContact CD1-SD 3.87Å; L115-M225 HydrophobicContact CD2-CG 3.93Å; L115-M225 HydrophobicContact CD2-SD 3.71Å; L115-M225 HydrophobicContact CG-CG 4.4Å; L115-M225 HydrophobicContact CG-SD 4.38Å; L119-M225 HydrophobicContact CD2-CB 4.49Å; L119-M225 HydrophobicContact CD2-CG 4.29Å; M124-M225 PolarHBondContact N-O 3.33Å; M124-M225 HydrophobicContact SD-CB 4.14Å; M124-M225 HydrophobicContact SD-CG 3.95Å; M124-M225 HydrophobicContact SD-SD 3.88Å; A129-M225 HydrophobicContact CB-CB 3.85Å; A129-M225 WeakPolarHBondContact O-CE 3.45Å; F132-M225 HydrophobicContact CB-CE 4.04Å; F132-M225 HydrophobicContact CB-SD 3.69Å; F132-M225 HydrophobicContact CD2-SD 4.11Å; F132-M225 HydrophobicContact CG-SD 4.44Å; M133-M225 HydrophobicContact CB-CE 4.13Å; I221-M225 HydrophobicContact CG2-CE 4.44Å; I221-M225 WeakPolarHBondContact O-CG 3.44Å; I221-M225 PolarHBondContact O-N 3.24Å; F222-M225 HydrophobicContact CB-CE 4.42Å; F222-M225 HydrophobicContact CD2-CE 4.08Å; F222-M225 PolarHBondContact O-N 3.46Å; M225-T227 VanDerWaalsContact C-N 3.33Å; M225-T227 PolarHBondContact O-N 3.1Å
226L97.3Very high96Very high23 Ų2326 Ų2612%0.1216%0.157CC..THydrogen-bonded Turntrans-73.2-18.2178.4-68.1170.7000114.5E126 A129 F222 E224 V285 A289 L293E126-L226 HydrophobicContact CB-CD2 4.22Å; E126-L226 HydrophobicContact CG-CD2 4.01Å; A129-L226 HydrophobicContact CB-CD2 3.77Å; A129-L226 HydrophobicContact CB-CG 4.23Å; F222-L226 HydrophobicContact CD1-CD1 4.3Å; F222-L226 HydrophobicContact CD2-CD1 4.44Å; F222-L226 HydrophobicContact CD2-CG 4.44Å; F222-L226 HydrophobicContact CE1-CD1 3.74Å; F222-L226 HydrophobicContact CE2-CD1 3.92Å; F222-L226 HydrophobicContact CE2-CD2 4.19Å; F222-L226 HydrophobicContact CE2-CG 3.99Å; F222-L226 HydrophobicContact CZ-CD1 3.52Å; F222-L226 HydrophobicContact CZ-CD2 4.29Å; F222-L226 HydrophobicContact CZ-CG 4.09Å; F222-L226 WeakPolarHBondContact O-CG 3.4Å; F222-L226 PolarHBondContact O-N 2.72Å; F222-L226 VanDerWaalsContact O-N 3.14Å; E224-L226 VanDerWaalsContact C-N 3.28Å; E224-L226 PolarHBondContact O-N 2.98Å; L226-V285 HydrophobicContact CB-CG2 4.06Å; L226-V285 HydrophobicContact CD1-CG1 3.88Å; L226-V285 HydrophobicContact CD1-CG2 3.99Å; L226-A289 HydrophobicContact CD1-CB 4.28Å; L226-L293 HydrophobicContact CD1-CD1 4.15Å
227T95.3Very high95.5Very high29 Ų2928.5 Ų28.518%0.17817%0.168CC..THydrogen-bonded Turntrans-130-10.5-169.460.90000115.8S223 E224 M225 K229 L282 V285S223-T227 PolarHBondContact O-N 2.72Å; S223-T227 PolarHBondContact O-OG1 2.88Å; E224-T227 PolarHBondContact O-N 3.47Å; E224-T227 VanDerWaalsContact O-N 3.15Å; M225-T227 VanDerWaalsContact C-N 3.33Å; M225-T227 PolarHBondContact O-N 3.1Å; T227-K229 PolarHBondContact O-N 2.9Å; T227-K229 PolarHBondContact OG1-O 2.88Å; T227-L282 HydrophobicContact CG2-CD2 3.64Å; T227-V285 HydrophobicContact CG2-CG2 4.49Å
228G94.8Very high95Very high27 Ų2729.6 Ų29.628%0.27817%0.173SC..THydrogen-bonded Turntrans64.424.8-17400000113E224E224-G228 WeakPolarHBondContact O-CA 3.29Å; E224-G228 PolarHBondContact O-N 2.72Å
229K93.8Very high94.7Very high153 Ų15332.7 Ų32.767%0.66519%0.188SC*.SBendtrans-146131.4-171.8-65.6174.9-169.1168.60112.2E224 T227 L231E224-K229 WeakPolarHBondContact CA-O 3.26Å; E224-K229 WeakPolarHBondContact CG-O 3.42Å; T227-K229 PolarHBondContact O-N 2.9Å; T227-K229 PolarHBondContact OG1-O 2.88Å; K229-L231 PolarHBondContact O-N 2.88Å
230T95.6Very high94.4Very high40 Ų4032.7 Ų32.725%0.24519%0.188CC..  trans-61.7118.6174.1-43.90000110.9W196 E224 F232 A233W196-T230 HydrophobicContact CB-CG2 3.67Å; W196-T230 HydrophobicContact CD2-CG2 3.92Å; W196-T230 HydrophobicContact CE3-CG2 3.63Å; W196-T230 HydrophobicContact CG-CG2 3.97Å; W196-T230 HydrophobicContact CZ3-CG2 4.48Å; E224-T230 WeakPolarHBondContact OE1-CA 3.35Å; E224-T230 VanDerWaalsContact OE1-CB 3.28Å; E224-T230 WeakPolarHBondContact OE1-CB 3.41Å; E224-T230 PolarHBondContact OE1-N 3.01Å; E224-T230 PolarHBondContact OE1-OG1 2.59Å; T230-F232 PolarHBondContact O-N 3.24Å; T230-A233 HydrophobicContact CG2-CB 4.42Å
231L96.5Very high94.2Very high26 Ų2633 Ų3314%0.13619%0.189CC..SBendtrans-61.4-43.7-174.117662.4000113.5S223 K229 L278 L281 L282 L297S223-L231 WeakPolarHBondContact OG-CB 3.27Å; S223-L231 WeakPolarHBondContact OG-CD2 3.3Å; K229-L231 PolarHBondContact O-N 2.88Å; L231-L278 HydrophobicContact CD1-CD1 3.93Å; L231-L278 HydrophobicContact CD2-CD1 4.03Å; L231-L281 HydrophobicContact CD1-CB 4.33Å; L231-L281 HydrophobicContact CD1-CD1 4Å; L231-L282 HydrophobicContact CD1-CD2 4.19Å; L231-L297 HydrophobicContact CD2-CD1 3.55Å
232F96.7Very high93.9Very high2 Ų235.7 Ų35.71%0.00920%0.202CC..  trans-126.582.6-176.6-58-48.4000110.6W196 W216 T230 G234 Q240 L243 I244 S247 I248W196-F232 VanDerWaalsContact CA-O 3.27Å; W196-F232 WeakPolarHBondContact CA-O 3.37Å; W196-F232 VanDerWaalsContact CB-O 3.26Å; W196-F232 WeakPolarHBondContact CB-O 3.11Å; W216-F232 AromaticContact CH2-CE2 3.85Å; W216-F232 HydrophobicContact CH2-CE2 3.85Å; W216-F232 AromaticContact CZ2-CD2 3.84Å; W216-F232 HydrophobicContact CZ2-CD2 3.84Å; W216-F232 AromaticContact CZ2-CE2 3.49Å; W216-F232 HydrophobicContact CZ2-CE2 3.49Å; W216-F232 VanDerWaalsContact CZ2-CE2 3.49Å; T230-F232 PolarHBondContact O-N 3.24Å; F232-G234 PolarHBondContact O-N 3.18Å; F232-Q240 PolarHBondContact O-NE2 2.98Å; F232-Q240 PolarHBondContact O-OE1 3.04Å; F232-L243 HydrophobicContact CD1-CB 4.07Å; F232-I244 HydrophobicContact CD1-CG1 4.43Å; F232-I244 HydrophobicContact CD2-CG1 3.98Å; F232-I244 HydrophobicContact CE2-CG1 4.14Å; F232-I244 HydrophobicContact CG-CG1 4.14Å; F232-I244 HydrophobicContact CZ-CG1 4.44Å; F232-S247 WeakPolarHBondContact CE1-OG 3.17Å; F232-I248 HydrophobicContact CZ-CD1 4.31Å; F232-I248 HydrophobicContact CZ-CG1 4.12Å
233A94.8Very high93.7Very high56 Ų5638.4 Ų38.446%0.46322%0.216SC..  trans-92.548.9-17300000114.2T230T230-A233 HydrophobicContact CG2-CB 4.42Å
234G93.4Very high93.6Very high1 Ų138.4 Ų38.41%0.0122%0.216CC..  trans-70.1141.1179.500000112.9W196 F232W196-G234 VanDerWaalsContact CD1-O 3.29Å; W196-G234 PolarHBondContact NE1-O 3.27Å; F232-G234 PolarHBondContact O-N 3.18Å
235A89.4Confident93.4Very high80 Ų8038.3 Ų38.366%0.66122%0.216SC*.SBendtrans-79.2-21.317600000112.5E239A235-E239 WeakPolarHBondContact CA-OE2 3.49Å; A235-E239 VanDerWaalsContact CB-OE2 3.27Å; A235-E239 WeakPolarHBondContact CB-OE2 3.48Å; A235-E239 PolarHBondContact N-OE2 2.82Å
236H86.9Confident93.2Very high90 Ų9042.8 Ų42.842%0.41724%0.237SC..SBendtrans-147.4162.1179.863.5-59.3000112.7L238 E239 Q240H236-L238 VanDerWaalsContact C-N 3.27Å; H236-L238 PolarHBondContact O-N 3.31Å; H236-E239 VanDerWaalsContact CE1-CB 3.42Å; H236-E239 WeakPolarHBondContact CE1-CB 3.49Å; H236-E239 IonicContact CE1-OE2 3.19Å; H236-E239 PolarHBondContact CE1-OE2 2.9Å; H236-E239 PolarHBondContact N-OE2 3.3Å; H236-E239 WeakPolarHBondContact ND1-CB 3.28Å; H236-E239 IonicContact ND1-OE2 2.74Å; H236-E239 PolarHBondContact ND1-OE2 3.29Å; H236-E239 PolarHBondContact O-N 3.22Å; H236-E239 VanDerWaalsContact O-N 3.09Å; H236-Q240 WeakPolarHBondContact O-CB 3.43Å; H236-Q240 PolarHBondContact O-N 3.19Å
237E86.3Confident93.1Very high51 Ų5141.9 Ų41.924%0.23823%0.232CC..Hα-helixtrans-53.2-39.7-171-76.667.8-158.700113.3K195 R198 L203 M241K195-E237 VanDerWaalsContact CD-OE1 3.23Å; K195-E237 WeakPolarHBondContact CD-OE1 3.45Å; K195-E237 WeakPolarHBondContact CE-OE1 3.48Å; K195-E237 IonicContact NZ-OE1 3.77Å; K195-E237 PolarHBondContact NZ-OE1 2.76Å; K195-E237 IonicContact NZ-OE2 2.72Å; K195-E237 PolarHBondContact NZ-OE2 3.48Å; R198-E237 IonicContact NH1-OE1 3.23Å; R198-E237 PolarHBondContact NH1-OE1 2.84Å; L203-E237 HydrophobicContact CD2-CB 4.25Å; L203-E237 HydrophobicContact CD2-CG 4.05Å; E237-M241 PolarHBondContact O-N 3.44Å
238L88.4Confident93.1Very high28 Ų2840.8 Ų40.815%0.14723%0.225CC..Hα-helixtrans-70.1-40.8-179.8-177.560.8000112.4H236 M241 Q242 I263 F266 L475H236-L238 VanDerWaalsContact C-N 3.27Å; H236-L238 PolarHBondContact O-N 3.31Å; L238-M241 PolarHBondContact O-N 3.49Å; L238-Q242 VanDerWaalsContact O-CG 3.28Å; L238-Q242 WeakPolarHBondContact O-CG 3.26Å; L238-Q242 PolarHBondContact O-N 2.79Å; L238-I263 HydrophobicContact CD1-CG2 3.55Å; L238-F266 HydrophobicContact CD1-CD2 4.25Å; L238-F266 HydrophobicContact CD1-CE2 3.87Å; L238-F266 HydrophobicContact CD2-CE2 4.25Å; L238-F266 HydrophobicContact CG-CE2 4.37Å; L238-L475 HydrophobicContact CD1-CD1 3.92Å; L238-L475 HydrophobicContact CD2-CD1 4.07Å
239E91.3Very high93.1Very high66 Ų6641.5 Ų41.531%0.30823%0.225SC..Hα-helixtrans-72.7-36.9176.8177.3179.4-141.900111.6A235 H236 M241 Q242 L243A235-E239 WeakPolarHBondContact CA-OE2 3.49Å; A235-E239 VanDerWaalsContact CB-OE2 3.27Å; A235-E239 WeakPolarHBondContact CB-OE2 3.48Å; A235-E239 PolarHBondContact N-OE2 2.82Å; H236-E239 VanDerWaalsContact CE1-CB 3.42Å; H236-E239 WeakPolarHBondContact CE1-CB 3.49Å; H236-E239 IonicContact CE1-OE2 3.19Å; H236-E239 PolarHBondContact CE1-OE2 2.9Å; H236-E239 PolarHBondContact N-OE2 3.3Å; H236-E239 WeakPolarHBondContact ND1-CB 3.28Å; H236-E239 IonicContact ND1-OE2 2.74Å; H236-E239 PolarHBondContact ND1-OE2 3.29Å; H236-E239 PolarHBondContact O-N 3.22Å; H236-E239 VanDerWaalsContact O-N 3.09Å; E239-M241 VanDerWaalsContact C-N 3.29Å; E239-M241 PolarHBondContact O-N 2.86Å; E239-Q242 WeakPolarHBondContact O-CB 3.35Å; E239-Q242 PolarHBondContact O-N 3.31Å; E239-Q242 VanDerWaalsContact O-N 3.11Å; E239-L243 WeakPolarHBondContact O-CG 3.49Å; E239-L243 PolarHBondContact O-N 2.93Å
240Q93.6Very high93.1Very high0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-56.4-45.8169.9-170.866.423.400110.8K195 W196 L203 F232 H236 I244K195-Q240 PolarHBondContact O-NE2 3.02Å; W196-Q240 PolarHBondContact O-NE2 3.42Å; L203-Q240 HydrophobicContact CD1-CB 4.14Å; L203-Q240 HydrophobicContact CD1-CG 3.7Å; L203-Q240 HydrophobicContact CD2-CG 4.44Å; F232-Q240 PolarHBondContact O-NE2 2.98Å; F232-Q240 PolarHBondContact O-OE1 3.04Å; H236-Q240 WeakPolarHBondContact O-CB 3.43Å; H236-Q240 PolarHBondContact O-N 3.19Å; Q240-I244 HydrophobicContact CG-CD1 4.46Å; Q240-I244 WeakPolarHBondContact O-CD1 3.04Å; Q240-I244 VanDerWaalsContact O-CG1 3.29Å; Q240-I244 WeakPolarHBondContact O-CG1 3.35Å; Q240-I244 PolarHBondContact O-N 3.33Å
241M92.7Very high92.9Very high7 Ų737.9 Ų37.93%0.03421%0.211CC..Hα-helixtrans-67-34.5174.8-177.961.274.300112.7P200 L203 L204 E237 L238 E239 I244 L245 L259 I263 F299P200-M241 HydrophobicContact CB-CE 4.14Å; P200-M241 HydrophobicContact CB-SD 4.46Å; P200-M241 WeakPolarHBondContact O-CE 3.46Å; L203-M241 HydrophobicContact CB-CE 3.8Å; L203-M241 HydrophobicContact CD1-CB 4.48Å; L203-M241 HydrophobicContact CD1-CE 4.25Å; L204-M241 HydrophobicContact CD1-CE 4.46Å; L204-M241 HydrophobicContact CD2-CE 4.19Å; L204-M241 HydrophobicContact CG-CE 3.84Å; E237-M241 PolarHBondContact O-N 3.44Å; L238-M241 PolarHBondContact O-N 3.49Å; E239-M241 VanDerWaalsContact C-N 3.29Å; E239-M241 PolarHBondContact O-N 2.86Å; M241-I244 PolarHBondContact O-N 2.99Å; M241-I244 HydrophobicContact SD-CG2 4.45Å; M241-L245 HydrophobicContact CG-CD1 3.77Å; M241-L245 HydrophobicContact CG-CG 4.21Å; M241-L245 WeakPolarHBondContact O-CB 3.36Å; M241-L245 VanDerWaalsContact O-CG 3.26Å; M241-L245 WeakPolarHBondContact O-CG 3.27Å; M241-L245 PolarHBondContact O-N 3.06Å; M241-L245 HydrophobicContact SD-CD1 3.96Å; M241-L245 HydrophobicContact SD-CD2 4.38Å; M241-L245 HydrophobicContact SD-CG 3.91Å; M241-L259 HydrophobicContact SD-CD2 4.29Å; M241-I263 HydrophobicContact CG-CD1 3.56Å; M241-I263 HydrophobicContact SD-CD1 4.44Å; M241-F299 HydrophobicContact SD-CE2 4.17Å
242Q92.2Very high92.7Very high57 Ų5739.9 Ų39.927%0.26622%0.217SC..Hα-helixtrans-63.3-49.5175.4-73.9159.94.400111.8L238 E239 I244 L245 E246 F266L238-Q242 VanDerWaalsContact O-CG 3.28Å; L238-Q242 WeakPolarHBondContact O-CG 3.26Å; L238-Q242 PolarHBondContact O-N 2.79Å; E239-Q242 WeakPolarHBondContact O-CB 3.35Å; E239-Q242 PolarHBondContact O-N 3.31Å; E239-Q242 VanDerWaalsContact O-N 3.11Å; Q242-I244 PolarHBondContact O-N 3.32Å; Q242-L245 PolarHBondContact O-N 2.87Å; Q242-L245 VanDerWaalsContact O-N 3.11Å; Q242-E246 WeakPolarHBondContact O-CG 3.5Å; Q242-E246 PolarHBondContact O-N 3.46Å; Q242-F266 HydrophobicContact CG-CD1 4.16Å; Q242-F266 HydrophobicContact CG-CE1 4.28Å; Q242-F266 HydrophobicContact CG-CG 4.49Å
243L94.8Very high92.4Very high58 Ų5844.3 Ų44.330%0.30424%0.237SC..Hα-helixtrans-59-36.8178.2-65.6171.3000112.3F232 E239 S247F232-L243 HydrophobicContact CD1-CB 4.07Å; E239-L243 WeakPolarHBondContact O-CG 3.49Å; E239-L243 PolarHBondContact O-N 2.93Å; L243-S247 PolarHBondContact O-OG 2.92Å
244I95.6Very high92.2Very high0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-63.8-53.6171.9-73171.6000110.9P200 L203 W216 F232 Q240 M241 Q242 E246 S247 I248 F299P200-I244 HydrophobicContact CB-CG2 4.34Å; P200-I244 HydrophobicContact CG-CD1 4.39Å; P200-I244 HydrophobicContact CG-CG2 3.87Å; L203-I244 HydrophobicContact CD1-CD1 3.96Å; W216-I244 HydrophobicContact CH2-CD1 4.23Å; W216-I244 HydrophobicContact CH2-CG1 4.1Å; W216-I244 HydrophobicContact CH2-CG2 4.08Å; W216-I244 HydrophobicContact CZ2-CD1 3.62Å; W216-I244 HydrophobicContact CZ2-CG1 3.76Å; F232-I244 HydrophobicContact CD1-CG1 4.43Å; F232-I244 HydrophobicContact CD2-CG1 3.98Å; F232-I244 HydrophobicContact CE2-CG1 4.14Å; F232-I244 HydrophobicContact CG-CG1 4.14Å; F232-I244 HydrophobicContact CZ-CG1 4.44Å; Q240-I244 HydrophobicContact CG-CD1 4.46Å; Q240-I244 WeakPolarHBondContact O-CD1 3.04Å; Q240-I244 VanDerWaalsContact O-CG1 3.29Å; Q240-I244 WeakPolarHBondContact O-CG1 3.35Å; Q240-I244 PolarHBondContact O-N 3.33Å; M241-I244 PolarHBondContact O-N 2.99Å; M241-I244 HydrophobicContact SD-CG2 4.45Å; Q242-I244 PolarHBondContact O-N 3.32Å; I244-E246 VanDerWaalsContact C-N 3.27Å; I244-E246 PolarHBondContact O-N 2.79Å; I244-S247 PolarHBondContact O-N 2.85Å; I244-S247 VanDerWaalsContact O-N 3.1Å; I244-S247 PolarHBondContact O-OG 2.84Å; I244-I248 WeakPolarHBondContact O-CB 3.48Å; I244-I248 PolarHBondContact O-N 3.17Å; I244-F299 HydrophobicContact CG2-CD2 4.43Å
245L94.1Very high92Very high11 Ų1145.5 Ų45.56%0.05823%0.233CC..Hα-helixtrans-70.9-19.1-176.5-68.6174.4000114M241 Q242 S247 V250 L259 I267 M271 F299M241-L245 HydrophobicContact CG-CD1 3.77Å; M241-L245 HydrophobicContact CG-CG 4.21Å; M241-L245 WeakPolarHBondContact O-CB 3.36Å; M241-L245 VanDerWaalsContact O-CG 3.26Å; M241-L245 WeakPolarHBondContact O-CG 3.27Å; M241-L245 PolarHBondContact O-N 3.06Å; M241-L245 HydrophobicContact SD-CD1 3.96Å; M241-L245 HydrophobicContact SD-CD2 4.38Å; M241-L245 HydrophobicContact SD-CG 3.91Å; Q242-L245 PolarHBondContact O-N 2.87Å; Q242-L245 VanDerWaalsContact O-N 3.11Å; L245-S247 VanDerWaalsContact C-N 3.31Å; L245-V250 HydrophobicContact CD2-CG2 3.61Å; L245-L259 HydrophobicContact CD1-CD2 4.11Å; L245-L259 HydrophobicContact CD2-CD1 3.84Å; L245-L259 HydrophobicContact CD2-CD2 4.4Å; L245-I267 HydrophobicContact CD1-CD1 4.16Å; L245-M271 HydrophobicContact CB-CE 4.05Å; L245-M271 HydrophobicContact CD2-CE 4.01Å; L245-F299 HydrophobicContact CD2-CD2 4.12Å; L245-F299 HydrophobicContact CD2-CE2 3.7Å
246E93.7Very high92Very high94 Ų9444 Ų4444%0.43921%0.21SC..Hα-helixtrans-71-26.4170.3-79.8-175.2-173.100112.7Q242 I244 P274 H275 T276Q242-E246 WeakPolarHBondContact O-CG 3.5Å; Q242-E246 PolarHBondContact O-N 3.46Å; I244-E246 VanDerWaalsContact C-N 3.27Å; I244-E246 PolarHBondContact O-N 2.79Å; E246-P274 WeakPolarHBondContact O-CB 3.5Å; E246-H275 WeakPolarHBondContact O-CA 3.49Å; E246-H275 PolarHBondContact O-N 2.83Å; E246-T276 PolarHBondContact O-N 2.83Å
247S94.6Very high92.2Very high3 Ų345.4 Ų45.42%0.02122%0.217CC..Hα-helixtrans-122-30.1-165.359.20000115.4F232 L243 I244 L245 P274 T276F232-S247 WeakPolarHBondContact CE1-OG 3.17Å; L243-S247 PolarHBondContact O-OG 2.92Å; I244-S247 PolarHBondContact O-N 2.85Å; I244-S247 VanDerWaalsContact O-N 3.1Å; I244-S247 PolarHBondContact O-OG 2.84Å; L245-S247 VanDerWaalsContact C-N 3.31Å; S247-P274 WeakPolarHBondContact O-CB 3.44Å; S247-P274 VanDerWaalsContact O-CG 3.31Å; S247-P274 WeakPolarHBondContact O-CG 3.46Å; S247-T276 VanDerWaalsContact CA-O 3.27Å; S247-T276 WeakPolarHBondContact CA-O 3.28Å; S247-T276 WeakPolarHBondContact CB-O 3.27Å
248I95.9Very high92.2Very high6 Ų645.3 Ų45.33%0.03122%0.217CC..SBendtrans-104.6129.2-179.9-56.2-47.6000110.2W216 F232 I244 L297 F299W216-I248 HydrophobicContact CH2-CG1 4.06Å; W216-I248 HydrophobicContact CZ3-CG1 4.47Å; F232-I248 HydrophobicContact CZ-CD1 4.31Å; F232-I248 HydrophobicContact CZ-CG1 4.12Å; I244-I248 WeakPolarHBondContact O-CB 3.48Å; I244-I248 PolarHBondContact O-N 3.17Å; I248-L297 HydrophobicContact CD1-CB 4.05Å; I248-L297 WeakPolarHBondContact CD1-O 3.41Å; I248-L297 WeakPolarHBondContact CG2-O 3.25Å; I248-F299 HydrophobicContact CG2-CB 4.11Å
249P94.5Very high92.2Very high42 Ų4244 Ų4427%0.27321%0.21SC..  trans-72.3143.9178.628.9-34.2000112.9L251 M271 S272P249-L251 HydrophobicContact CB-CD2 3.93Å; P249-L251 HydrophobicContact CB-CG 4.36Å; P249-L251 HydrophobicContact CG-CD2 4.29Å; P249-L251 HydrophobicContact CG-CG 4.48Å; P249-M271 WeakPolarHBondContact CA-O 3.21Å; P249-S272 WeakPolarHBondContact CB-O 3.37Å
250V94.1Very high92.1Very high0 Ų046.1 Ų46.10%022%0.22CC..  trans-101.995.4169.2-171.70000108.2L245 D255 R256 L259 M271 F299L245-V250 HydrophobicContact CD2-CG2 3.61Å; V250-D255 HydrophobicContact CG1-CB 3.76Å; V250-R256 HydrophobicContact CG1-CB 4.11Å; V250-R256 PolarHBondContact O-NH1 3.28Å; V250-L259 HydrophobicContact CB-CD1 4.48Å; V250-L259 HydrophobicContact CG1-CD1 4Å; V250-L259 HydrophobicContact CG2-CD1 3.76Å; V250-M271 HydrophobicContact CB-CB 3.79Å; V250-M271 HydrophobicContact CG2-CB 4.24Å; V250-M271 HydrophobicContact CG2-CE 4.28Å; V250-M271 PolarHBondContact N-O 3.21Å; V250-F299 HydrophobicContact CG1-CD1 4.29Å; V250-F299 HydrophobicContact CG2-CD1 4.47Å; V250-F299 HydrophobicContact CG2-CD2 3.89Å; V250-F299 HydrophobicContact CG2-CE2 4.25Å; V250-F299 HydrophobicContact CG2-CG 4.02Å
251L91.8Very high91.7Very high117 Ų11750.1 Ų50.161%0.61325%0.247SC*.  trans-79.2-42.7-171.6-60.3178.6000113P249P249-L251 HydrophobicContact CB-CD2 3.93Å; P249-L251 HydrophobicContact CB-CG 4.36Å; P249-L251 HydrophobicContact CG-CD2 4.29Å; P249-L251 HydrophobicContact CG-CG 4.48Å
252R91.6Very high91.3Very high69 Ų6950.6 Ų50.626%0.2625%0.251SS..SBendtrans-79.8151.2-175.6-51.1-170.7-179.5-160.8-5.3112E254 N300 D303R252-E254 HydrophobicContact CB-CG 3.91Å; R252-E254 WeakPolarHBondContact CD-OE1 3.3Å; R252-E254 IonicContact CZ-OE1 3.7Å; R252-E254 IonicContact NE-OE1 3.52Å; R252-E254 IonicContact NH1-OE1 3.53Å; R252-E254 PolarHBondContact NH1-OE1 3.07Å; R252-N300 WeakPolarHBondContact CD-ND2 3.46Å; R252-D303 IonicContact CZ-OD1 3.76Å; R252-D303 IonicContact CZ-OD2 3.89Å; R252-D303 IonicContact NE-OD1 3.59Å; R252-D303 IonicContact NE-OD2 2.74Å; R252-D303 PolarHBondContact NE-OD2 2.74Å; R252-D303 VanDerWaalsContact NH2-CG 3.3Å; R252-D303 IonicContact NH2-OD1 2.76Å; R252-D303 PolarHBondContact NH2-OD1 3.09Å; R252-D303 IonicContact NH2-OD2 3.28Å; R252-D303 PolarHBondContact NH2-OD2 2.9Å
253E90.2Very high91Very high94 Ų9448 Ų4844%0.43924%0.239SC..Hα-helixtrans-70.4-40.4172-108-66.8-8900111.6D255 R256 Q257E253-D255 PolarHBondContact O-N 2.99Å; E253-R256 CarbonylContact O-C 3.58Å; E253-R256 PolarHBondContact O-N 3.05Å; E253-R256 IonicContact OE2-CZ 2.83Å; E253-R256 IonicContact OE2-NE 3.54Å; E253-R256 PolarHBondContact OE2-NE 3.2Å; E253-R256 IonicContact OE2-NH2 3.29Å; E253-R256 PolarHBondContact OE2-NH2 3.06Å; E253-Q257 WeakPolarHBondContact O-CG 3.37Å; E253-Q257 PolarHBondContact O-N 3.06Å; E253-Q257 PolarHBondContact OE1-NE2 2.96Å
254E90.3Very high90.4Very high80 Ų8047.2 Ų47.237%0.37424%0.237SC..Hα-helixtrans-55.8-52.1-177.665.5-157.6-159.900112.5R252 R256 Q257 E258R252-E254 HydrophobicContact CB-CG 3.91Å; R252-E254 WeakPolarHBondContact CD-OE1 3.3Å; R252-E254 IonicContact CZ-OE1 3.7Å; R252-E254 IonicContact NE-OE1 3.52Å; R252-E254 IonicContact NH1-OE1 3.53Å; R252-E254 PolarHBondContact NH1-OE1 3.07Å; E254-R256 VanDerWaalsContact C-N 3.27Å; E254-R256 PolarHBondContact O-N 3.48Å; E254-Q257 PolarHBondContact O-N 2.74Å; E254-E258 PolarHBondContact O-N 2.8Å
255D90.4Very high89.8Confident2 Ų250.5 Ų50.51%0.01126%0.257CS..Hα-helixtrans-61.1-35.6175.7-68.1-70000112.1R201 V250 E253 L259 F299 N300R201-D255 IonicContact NH2-OD1 2.76Å; R201-D255 PolarHBondContact NH2-OD1 3.43Å; V250-D255 HydrophobicContact CG1-CB 3.76Å; E253-D255 PolarHBondContact O-N 2.99Å; D255-L259 WeakPolarHBondContact O-CB 3.21Å; D255-L259 WeakPolarHBondContact O-CD1 3.07Å; D255-L259 WeakPolarHBondContact O-CG 3.4Å; D255-L259 PolarHBondContact O-N 2.78Å; D255-F299 HydrophobicContact CB-CD1 3.82Å; D255-F299 HydrophobicContact CB-CE1 3.71Å; D255-N300 PolarHBondContact OD1-ND2 3.1Å; D255-N300 WeakPolarHBondContact OD2-CB 3.33Å; D255-N300 PolarHBondContact OD2-ND2 2.9Å
256R90.1Very high89Confident49 Ų4953.2 Ų53.219%0.18527%0.268CS..Hα-helixtrans-73.3-34179.7-178.1165.756.1-124.76.6112.1V250 E253 E254 H260 I267V250-R256 HydrophobicContact CG1-CB 4.11Å; V250-R256 PolarHBondContact O-NH1 3.28Å; E253-R256 CarbonylContact O-C 3.58Å; E253-R256 PolarHBondContact O-N 3.05Å; E253-R256 IonicContact OE2-CZ 2.83Å; E253-R256 IonicContact OE2-NE 3.54Å; E253-R256 PolarHBondContact OE2-NE 3.2Å; E253-R256 IonicContact OE2-NH2 3.29Å; E253-R256 PolarHBondContact OE2-NH2 3.06Å; E254-R256 VanDerWaalsContact C-N 3.27Å; E254-R256 PolarHBondContact O-N 3.48Å; R256-H260 VanDerWaalsContact O-CB 3.28Å; R256-H260 WeakPolarHBondContact O-CB 3.48Å; R256-H260 PolarHBondContact O-N 2.84Å; R256-I267 HydrophobicContact CG-CG2 3.96Å
257Q89.5Confident88.5Confident120 Ų12050 Ų5056%0.56125%0.254SS*.Hα-helixtrans-71.6-42.6174-70.2179.915.300111.3E253 E254 H260 S261E253-Q257 WeakPolarHBondContact O-CG 3.37Å; E253-Q257 PolarHBondContact O-N 3.06Å; E253-Q257 PolarHBondContact OE1-NE2 2.96Å; E254-Q257 PolarHBondContact O-N 2.74Å; Q257-H260 PolarHBondContact O-N 3.42Å; Q257-H260 VanDerWaalsContact O-N 3.15Å; Q257-S261 PolarHBondContact O-N 3.41Å
258E87.8Confident87.9Confident49 Ų4953.5 Ų53.523%0.22927%0.266CS..Hα-helixtrans-60.4-49.3171.7-174.7-175.5173.800111.3R201 E254 H260 S261 V262R201-E258 IonicContact CZ-OE1 3.13Å; R201-E258 IonicContact CZ-OE2 2.67Å; R201-E258 IonicContact NH1-OE1 2.66Å; R201-E258 PolarHBondContact NH1-OE1 2.98Å; R201-E258 IonicContact NH1-OE2 2.73Å; R201-E258 PolarHBondContact NH1-OE2 2.91Å; R201-E258 IonicContact NH2-OE2 3.29Å; R201-E258 PolarHBondContact NH2-OE2 3.36Å; E254-E258 PolarHBondContact O-N 2.8Å; E258-H260 PolarHBondContact O-N 3.11Å; E258-S261 PolarHBondContact O-N 2.81Å; E258-S261 VanDerWaalsContact O-N 3.15Å; E258-S261 PolarHBondContact O-OG 2.96Å; E258-V262 WeakPolarHBondContact O-CG2 3.3Å; E258-V262 PolarHBondContact O-N 2.86Å; E258-V262 VanDerWaalsContact O-N 3.14Å
259L88.5Confident87.1Confident0 Ų059.2 Ų59.20%031%0.307CS..Hα-helixtrans-56.9-32.9173.2-84.7170.4000112.9L204 M241 L245 V250 D255 I263 I267 F299L204-L259 HydrophobicContact CD1-CD2 4.23Å; L204-L259 HydrophobicContact CD1-CG 4.44Å; L204-L259 HydrophobicContact CD2-CD2 4.16Å; M241-L259 HydrophobicContact SD-CD2 4.29Å; L245-L259 HydrophobicContact CD1-CD2 4.11Å; L245-L259 HydrophobicContact CD2-CD1 3.84Å; L245-L259 HydrophobicContact CD2-CD2 4.4Å; V250-L259 HydrophobicContact CB-CD1 4.48Å; V250-L259 HydrophobicContact CG1-CD1 4Å; V250-L259 HydrophobicContact CG2-CD1 3.76Å; D255-L259 WeakPolarHBondContact O-CB 3.21Å; D255-L259 WeakPolarHBondContact O-CD1 3.07Å; D255-L259 WeakPolarHBondContact O-CG 3.4Å; D255-L259 PolarHBondContact O-N 2.78Å; L259-I263 HydrophobicContact CD2-CD1 3.65Å; L259-I263 HydrophobicContact CD2-CG1 4.13Å; L259-I263 CarbonylContact O-C 3.5Å; L259-I263 WeakPolarHBondContact O-CA 3.49Å; L259-I263 PolarHBondContact O-N 3.4Å; L259-I267 HydrophobicContact CB-CD1 3.67Å; L259-I267 HydrophobicContact CB-CG1 4.03Å; L259-I267 HydrophobicContact CD1-CD1 4.27Å; L259-I267 HydrophobicContact CD2-CD1 4.19Å; L259-I267 HydrophobicContact CG-CD1 4.29Å; L259-I267 WeakPolarHBondContact O-CG1 3.47Å; L259-F299 HydrophobicContact CD1-CE1 4.08Å; L259-F299 HydrophobicContact CD1-CE2 4Å; L259-F299 HydrophobicContact CD1-CZ 3.59Å; L259-F299 HydrophobicContact CD2-CE2 4.49Å; L259-F299 HydrophobicContact CD2-CZ 4.01Å; L259-F299 HydrophobicContact CG-CE1 4.48Å; L259-F299 HydrophobicContact CG-CZ 3.9Å
260H87.8Confident86.6Confident111 Ų11160.7 Ų60.751%0.51431%0.313SS..Hα-helixtrans-80-26.3179.1-173.5-80.4000113.1R256 Q257 E258 P264 I267R256-H260 VanDerWaalsContact O-CB 3.28Å; R256-H260 WeakPolarHBondContact O-CB 3.48Å; R256-H260 PolarHBondContact O-N 2.84Å; Q257-H260 PolarHBondContact O-N 3.42Å; Q257-H260 VanDerWaalsContact O-N 3.15Å; E258-H260 PolarHBondContact O-N 3.11Å; H260-P264 VanDerWaalsContact O-CB 3.29Å; H260-P264 WeakPolarHBondContact O-CB 3Å; H260-P264 WeakPolarHBondContact O-CD 3.31Å; H260-I267 HydrophobicContact CB-CG2 4.46Å
261S85.7Confident86.2Confident83 Ų8360.9 Ų60.958%0.5831%0.314SS*.Hα-helixtrans-73.9-36.9171.968.90000111.5Q257 E258Q257-S261 PolarHBondContact O-N 3.41Å; E258-S261 PolarHBondContact O-N 2.81Å; E258-S261 VanDerWaalsContact O-N 3.15Å; E258-S261 PolarHBondContact O-OG 2.96Å
262V83.5Confident86Confident18 Ų1857.7 Ų57.711%0.10930%0.301CS..Hα-helixtrans-86.8-49.7-176.2-175.70000112.5L204 E258 P264 I473L204-V262 HydrophobicContact CD2-CB 4.28Å; L204-V262 HydrophobicContact CD2-CG1 4.04Å; L204-V262 HydrophobicContact CD2-CG2 4.5Å; E258-V262 WeakPolarHBondContact O-CG2 3.3Å; E258-V262 PolarHBondContact O-N 2.86Å; E258-V262 VanDerWaalsContact O-N 3.14Å; V262-P264 WeakPolarHBondContact O-CD 3.49Å; V262-I473 CarbonylContact C-O 3.49Å; V262-I473 HydrophobicContact CG1-CB 3.55Å; V262-I473 HydrophobicContact CG1-CG2 3.99Å; V262-I473 WeakPolarHBondContact CG1-O 3.26Å
263I85.6Confident85.9Confident3 Ų361.3 Ų61.32%0.01532%0.319CS..  trans-125.444.7-169.8-2.4178.1000114.6L204 L238 M241 L259 V265 F266 L475L204-I263 HydrophobicContact CD2-CD1 4.07Å; L204-I263 HydrophobicContact CD2-CG1 4.35Å; L238-I263 HydrophobicContact CD1-CG2 3.55Å; M241-I263 HydrophobicContact CG-CD1 3.56Å; M241-I263 HydrophobicContact SD-CD1 4.44Å; L259-I263 HydrophobicContact CD2-CD1 3.65Å; L259-I263 HydrophobicContact CD2-CG1 4.13Å; L259-I263 CarbonylContact O-C 3.5Å; L259-I263 WeakPolarHBondContact O-CA 3.49Å; L259-I263 PolarHBondContact O-N 3.4Å; I263-V265 PolarHBondContact O-N 3.33Å; I263-F266 HydrophobicContact CB-CD2 4.49Å; I263-F266 HydrophobicContact CG2-CD2 3.75Å; I263-F266 HydrophobicContact CG2-CE2 4.26Å; I263-F266 PolarHBondContact O-N 2.94Å; I263-L475 HydrophobicContact CG2-CD1 3.77Å
264P83.5Confident85.8Confident41 Ų4158.2 Ų58.227%0.26631%0.307SS..THydrogen-bonded Turntrans-57.1-15.1-168.720.4-32.3000116.5H260 V262 F266H260-P264 VanDerWaalsContact O-CB 3.29Å; H260-P264 WeakPolarHBondContact O-CB 3Å; H260-P264 WeakPolarHBondContact O-CD 3.31Å; V262-P264 WeakPolarHBondContact O-CD 3.49Å; P264-F266 VanDerWaalsContact C-N 3.33Å
265V82.8Confident85.7Confident69 Ų6960.2 Ų60.242%0.41832%0.316SS..THydrogen-bonded Turntrans-72.2-26178.7179.20000112.5I263 W478I263-V265 PolarHBondContact O-N 3.33Å; V265-W478 HydrophobicContact CG1-CZ3 4.45Å; V265-W478 HydrophobicContact CG2-CE3 4.23Å
266F76.4Confident85.8Confident67 Ų6762.5 Ų62.529%0.29433%0.33SS..THydrogen-bonded Turntrans-107.4-5-173-57.3-76.1000113.9L238 Q242 I263 P264 W478L238-F266 HydrophobicContact CD1-CD2 4.25Å; L238-F266 HydrophobicContact CD1-CE2 3.87Å; L238-F266 HydrophobicContact CD2-CE2 4.25Å; L238-F266 HydrophobicContact CG-CE2 4.37Å; Q242-F266 HydrophobicContact CG-CD1 4.16Å; Q242-F266 HydrophobicContact CG-CE1 4.28Å; Q242-F266 HydrophobicContact CG-CG 4.49Å; I263-F266 HydrophobicContact CB-CD2 4.49Å; I263-F266 HydrophobicContact CG2-CD2 3.75Å; I263-F266 HydrophobicContact CG2-CE2 4.26Å; I263-F266 PolarHBondContact O-N 2.94Å; P264-F266 VanDerWaalsContact C-N 3.33Å; F266-W478 AromaticContact CE2-CZ3 3.99Å; F266-W478 HydrophobicContact CE2-CZ3 3.99Å; F266-W478 HydrophobicContact CZ-CH2 4.32Å; F266-W478 AromaticContact CZ-CZ3 3.88Å; F266-W478 HydrophobicContact CZ-CZ3 3.88Å
267I83.1Confident85.9Confident26 Ų2662.2 Ų62.213%0.13334%0.335CS..  trans-90.1123.4-173.6-50.1-46.6000110.5L245 R256 L259 H260L245-I267 HydrophobicContact CD1-CD1 4.16Å; R256-I267 HydrophobicContact CG-CG2 3.96Å; L259-I267 HydrophobicContact CB-CD1 3.67Å; L259-I267 HydrophobicContact CB-CG1 4.03Å; L259-I267 HydrophobicContact CD1-CD1 4.27Å; L259-I267 HydrophobicContact CD2-CD1 4.19Å; L259-I267 HydrophobicContact CG-CD1 4.29Å; L259-I267 WeakPolarHBondContact O-CG1 3.47Å; H260-I267 HydrophobicContact CB-CG2 4.46Å
268R82.9Confident86.1Confident77 Ų7756.8 Ų56.829%0.29131%0.309SS..  trans-93.4156.8176.2-55.6173.6-61.5150.915.3109.6D270 M271 K273 H275R268-D270 WeakPolarHBondContact CB-O 3.46Å; R268-D270 PolarHBondContact NH2-O 3.32Å; R268-D270 PolarHBondContact O-N 3.37Å; R268-M271 HydrophobicContact CB-CG 4.44Å; R268-M271 HydrophobicContact CB-SD 3.77Å; R268-M271 HydrophobicContact CG-SD 4.03Å; R268-M271 PolarHBondContact NE-SD 3.35Å; R268-M271 PolarHBondContact NH2-SD 3.46Å; R268-K273 PolarHBondContact NH2-O 2.76Å; R268-H275 WeakPolarHBondContact CD-NE2 3.41Å; R268-H275 PolarHBondContact NH1-CD2 3.4Å; R268-H275 PolarHBondContact NH1-CE1 3.26Å; R268-H275 PolarHBondContact NH1-NE2 3.21Å
269S78.3Confident86.4Confident126 Ų12658.1 Ų58.188%0.88132%0.321SS*.SBendtrans-64.8-22.4176.357.10000113.8
270D84.5Confident86.6Confident74 Ų7463.2 Ų63.240%0.39635%0.348SS..  trans-125.8121.8167.9-17912.4000108.6R268 S272R268-D270 WeakPolarHBondContact CB-O 3.46Å; R268-D270 PolarHBondContact NH2-O 3.32Å; R268-D270 PolarHBondContact O-N 3.37Å; D270-S272 VanDerWaalsContact OD1-CB 3.27Å; D270-S272 WeakPolarHBondContact OD1-CB 3.42Å; D270-S272 PolarHBondContact OD1-N 3.09Å; D270-S272 PolarHBondContact OD1-OG 3.47Å; D270-S272 PolarHBondContact OD2-OG 2.86Å
271M86.8Confident86.8Confident3 Ų361.3 Ų61.32%0.01534%0.341CS..  trans-121.16.9173.8-66.3-65.9-68.200111.9L245 P249 V250 R268 K273L245-M271 HydrophobicContact CB-CE 4.05Å; L245-M271 HydrophobicContact CD2-CE 4.01Å; P249-M271 WeakPolarHBondContact CA-O 3.21Å; V250-M271 HydrophobicContact CB-CB 3.79Å; V250-M271 HydrophobicContact CG2-CB 4.24Å; V250-M271 HydrophobicContact CG2-CE 4.28Å; V250-M271 PolarHBondContact N-O 3.21Å; R268-M271 HydrophobicContact CB-CG 4.44Å; R268-M271 HydrophobicContact CB-SD 3.77Å; R268-M271 HydrophobicContact CG-SD 4.03Å; R268-M271 PolarHBondContact NE-SD 3.35Å; R268-M271 PolarHBondContact NH2-SD 3.46Å; M271-K273 PolarHBondContact O-N 2.87Å
272S87.3Confident87.2Confident51 Ų5157.5 Ų57.536%0.35731%0.314SS..SBendtrans-67.9-19175.769.70000112.8P249 D270P249-S272 WeakPolarHBondContact CB-O 3.37Å; D270-S272 VanDerWaalsContact OD1-CB 3.27Å; D270-S272 WeakPolarHBondContact OD1-CB 3.42Å; D270-S272 PolarHBondContact OD1-N 3.09Å; D270-S272 PolarHBondContact OD1-OG 3.47Å; D270-S272 PolarHBondContact OD2-OG 2.86Å
273K88.3Confident87.5Confident145 Ų14561.7 Ų61.763%0.6334%0.342SS*.SBendtrans-120117.7175.3-65.8177-176.3173.70109.8R268 M271R268-K273 PolarHBondContact NH2-O 2.76Å; M271-K273 PolarHBondContact O-N 2.87Å
274P89.7Confident87.6Confident28 Ų2865.6 Ų65.618%0.18238%0.383CS..  trans-66.4161.2174.328.2-32.9000110.9E246 S247 P277E246-P274 WeakPolarHBondContact O-CB 3.5Å; S247-P274 WeakPolarHBondContact O-CB 3.44Å; S247-P274 VanDerWaalsContact O-CG 3.31Å; S247-P274 WeakPolarHBondContact O-CG 3.46Å; P274-P277 HydrophobicContact CG-CB 4.11Å; P274-P277 HydrophobicContact CG-CG 4Å
275H87.6Confident88.2Confident123 Ų12364.9 Ų64.957%0.56938%0.378SS*.SBendtrans-72.6-40.3174.4-91.4-67.3000111.8E246 R268E246-H275 WeakPolarHBondContact O-CA 3.49Å; E246-H275 PolarHBondContact O-N 2.83Å; R268-H275 WeakPolarHBondContact CD-NE2 3.41Å; R268-H275 PolarHBondContact NH1-CD2 3.4Å; R268-H275 PolarHBondContact NH1-CE1 3.26Å; R268-H275 PolarHBondContact NH1-NE2 3.21Å
276T92Very high88.8Confident49 Ų4962.8 Ų62.830%0.30137%0.366SS..SBendtrans-129.881.9-179.4-51.60000108.4E246 S247 N280 L281E246-T276 PolarHBondContact O-N 2.83Å; S247-T276 VanDerWaalsContact CA-O 3.27Å; S247-T276 WeakPolarHBondContact CA-O 3.28Å; S247-T276 WeakPolarHBondContact CB-O 3.27Å; T276-N280 HydrophobicContact CG2-CB 4.06Å; T276-L281 HydrophobicContact CG2-CD2 3.6Å; T276-L281 HydrophobicContact CG2-CG 4.06Å
277P92.7Very high89.7Confident44 Ų4465.1 Ų65.129%0.28639%0.388SS..  trans-47.6148.7179.6-2629.8000113.4P274 V279 N280P274-P277 HydrophobicContact CG-CB 4.11Å; P274-P277 HydrophobicContact CG-CG 4Å; P277-V279 HydrophobicContact CB-CG1 4.16Å; P277-V279 PolarHBondContact O-N 3.31Å; P277-V279 VanDerWaalsContact O-N 3.12Å; P277-N280 WeakPolarHBondContact O-CA 3.41Å; P277-N280 VanDerWaalsContact O-CB 3.32Å; P277-N280 WeakPolarHBondContact O-CB 3.43Å; P277-N280 PolarHBondContact O-N 2.92Å
278L93.3Very high90.4Very high5 Ų569.4 Ų69.43%0.02641%0.408CS..Hα-helixtrans-53.2-38-174.4-171.264.6000113.5L231 N280 L281 L282 M290 L293 E294 L297L231-L278 HydrophobicContact CD1-CD1 3.93Å; L231-L278 HydrophobicContact CD2-CD1 4.03Å; L278-N280 PolarHBondContact O-N 3.11Å; L278-L281 WeakPolarHBondContact O-CB 3.46Å; L278-L281 PolarHBondContact O-N 3.15Å; L278-L282 HydrophobicContact CD1-CD1 3.85Å; L278-L282 HydrophobicContact CD1-CG 4.24Å; L278-L282 HydrophobicContact CD2-CD1 4.34Å; L278-L282 HydrophobicContact CG-CD1 3.85Å; L278-L282 HydrophobicContact CG-CG 4.44Å; L278-L282 PolarHBondContact O-N 3.19Å; L278-M290 HydrophobicContact CB-SD 4.32Å; L278-M290 HydrophobicContact CD2-SD 4.17Å; L278-M290 HydrophobicContact CG-SD 4.14Å; L278-L293 HydrophobicContact CD2-CB 3.99Å; L278-E294 HydrophobicContact CD2-CG 4.26Å; L278-L297 HydrophobicContact CD1-CD1 4.32Å; L278-L297 HydrophobicContact CD2-CD1 3.98Å
279V93.5Very high91.1Very high78 Ų7865.8 Ų65.847%0.47339%0.394SS..Hα-helixtrans-58.7-25.3173.866.20000114.5P277 M290P277-V279 HydrophobicContact CB-CG1 4.16Å; P277-V279 PolarHBondContact O-N 3.31Å; P277-V279 VanDerWaalsContact O-N 3.12Å; V279-M290 HydrophobicContact CB-CE 4.16Å; V279-M290 HydrophobicContact CB-SD 4.13Å; V279-M290 HydrophobicContact CG2-CE 4.36Å
280N93Very high92Very high107 Ų10760.4 Ų60.457%0.57236%0.355SS*.Hα-helixtrans-82.2-25.4173.7-66-5.9000112.6T276 P277 L278T276-N280 HydrophobicContact CG2-CB 4.06Å; P277-N280 WeakPolarHBondContact O-CA 3.41Å; P277-N280 VanDerWaalsContact O-CB 3.32Å; P277-N280 WeakPolarHBondContact O-CB 3.43Å; P277-N280 PolarHBondContact O-N 2.92Å; L278-N280 PolarHBondContact O-N 3.11Å
281L92.6Very high92.6Very high70 Ų7060.1 Ų60.137%0.36635%0.354SS..Hα-helixtrans-80.8-28.8175.5-63.9-177.9000112.2L231 T276 L278 P283L231-L281 HydrophobicContact CD1-CB 4.33Å; L231-L281 HydrophobicContact CD1-CD1 4Å; T276-L281 HydrophobicContact CG2-CD2 3.6Å; T276-L281 HydrophobicContact CG2-CG 4.06Å; L278-L281 WeakPolarHBondContact O-CB 3.46Å; L278-L281 PolarHBondContact O-N 3.15Å; L281-P283 WeakPolarHBondContact O-CD 3.49Å
282L93.4Very high93.2Very high4 Ų460 Ų602%0.02135%0.353CS..SBendtrans-116.560.5-175.3-55.9178.6000112.1T227 L231 L278 G284 V285 M290 L293T227-L282 HydrophobicContact CG2-CD2 3.64Å; L231-L282 HydrophobicContact CD1-CD2 4.19Å; L278-L282 HydrophobicContact CD1-CD1 3.85Å; L278-L282 HydrophobicContact CD1-CG 4.24Å; L278-L282 HydrophobicContact CD2-CD1 4.34Å; L278-L282 HydrophobicContact CG-CD1 3.85Å; L278-L282 HydrophobicContact CG-CG 4.44Å; L278-L282 PolarHBondContact O-N 3.19Å; L282-G284 PolarHBondContact O-N 3.13Å; L282-V285 HydrophobicContact CB-CB 4.41Å; L282-V285 HydrophobicContact CB-CG2 3.86Å; L282-V285 PolarHBondContact O-N 3.3Å; L282-M290 HydrophobicContact CB-CE 3.99Å; L282-M290 HydrophobicContact CD1-CE 4.27Å; L282-L293 HydrophobicContact CD1-CD1 3.68Å
283P89.8Confident93.7Very high105 Ų10557.6 Ų57.668%0.68234%0.336SS*.THydrogen-bonded Turntrans-65.6128.7-178.128.9-35.5000111.4L281L281-P283 WeakPolarHBondContact O-CD 3.49Å
284G88.4Confident94.1Very high86 Ų8655.5 Ų55.589%0.88733%0.329SS*.THydrogen-bonded Turntrans97.3-8.1178.100000115.3L282L282-G284 PolarHBondContact O-N 3.13Å
285V95Very high94.5Very high25 Ų2557.4 Ų57.415%0.15233%0.334CS..  trans-65.3139.3171.2172.10000110.6L226 T227 L282 A289 M290L226-V285 HydrophobicContact CB-CG2 4.06Å; L226-V285 HydrophobicContact CD1-CG1 3.88Å; L226-V285 HydrophobicContact CD1-CG2 3.99Å; T227-V285 HydrophobicContact CG2-CG2 4.49Å; L282-V285 HydrophobicContact CB-CB 4.41Å; L282-V285 HydrophobicContact CB-CG2 3.86Å; L282-V285 PolarHBondContact O-N 3.3Å; V285-A289 HydrophobicContact CG1-CB 3.54Å; V285-M290 HydrophobicContact CB-CE 4.09Å; V285-M290 HydrophobicContact CG1-CE 4.08Å
286S95.9Very high94.9Very high26 Ų2651.6 Ų51.618%0.18231%0.307CS..  trans-63.9152.4-178.876.20000112.6E126 Q288 A289 M290E126-S286 VanDerWaalsContact CD-OG 3.26Å; E126-S286 WeakPolarHBondContact OE1-CB 3.44Å; E126-S286 PolarHBondContact OE1-OG 2.78Å; E126-S286 WeakPolarHBondContact OE2-CB 3.34Å; E126-S286 PolarHBondContact OE2-OG 2.72Å; E126-S286 VanDerWaalsContact OE2-OG 3.12Å; S286-Q288 PolarHBondContact O-N 3.39Å; S286-Q288 VanDerWaalsContact O-N 3.15Å; S286-A289 PolarHBondContact O-N 2.77Å; S286-A289 WeakPolarHBondContact OG-CB 3.24Å; S286-A289 PolarHBondContact OG-N 2.74Å; S286-M290 WeakPolarHBondContact O-CB 3.48Å; S286-M290 PolarHBondContact O-N 3.2Å
287P96.6Very high95.2Very high116 Ų11649.4 Ų49.475%0.75329%0.293SS*.Hα-helixtrans-58.3-28.8178.1-26.535.6000113.9D291P287-D291 VanDerWaalsContact O-CB 3.23Å; P287-D291 WeakPolarHBondContact O-CB 3.15Å; P287-D291 PolarHBondContact O-N 3.3Å
288Q96.6Very high95.4Very high116 Ų11648.5 Ų48.554%0.54229%0.287SS..Hα-helixtrans-77.3-41178.2-61.8177.8-2100111.7S286 M290 D291 F292 H313 Y315S286-Q288 PolarHBondContact O-N 3.39Å; S286-Q288 VanDerWaalsContact O-N 3.15Å; Q288-M290 VanDerWaalsContact C-N 3.31Å; Q288-M290 PolarHBondContact O-N 2.74Å; Q288-D291 PolarHBondContact O-N 2.79Å; Q288-F292 WeakPolarHBondContact O-CB 3.36Å; Q288-F292 PolarHBondContact O-N 3.32Å; Q288-H313 PolarHBondContact O-CE1 3.28Å; Q288-Y315 HydrophobicContact CB-CD2 3.67Å; Q288-Y315 HydrophobicContact CB-CE2 4.4Å
289A97.2Very high95.5Very high0 Ų048.6 Ų48.60%029%0.288CS..Hα-helixtrans-65.3-35.1172.900000111.9F222 L226 V285 S286 L293 Y315F222-A289 HydrophobicContact CE1-CB 4.32Å; F222-A289 HydrophobicContact CZ-CB 4.15Å; L226-A289 HydrophobicContact CD1-CB 4.28Å; V285-A289 HydrophobicContact CG1-CB 3.54Å; S286-A289 PolarHBondContact O-N 2.77Å; S286-A289 WeakPolarHBondContact OG-CB 3.24Å; S286-A289 PolarHBondContact OG-N 2.74Å; A289-L293 WeakPolarHBondContact O-CB 3.34Å; A289-L293 WeakPolarHBondContact O-CG 3.19Å; A289-L293 PolarHBondContact O-N 2.99Å; A289-Y315 HydrophobicContact CB-CD2 4.29Å; A289-Y315 HydrophobicContact CB-CE1 4.35Å; A289-Y315 HydrophobicContact CB-CE2 3.64Å
290M97.8Very high95.5Very high14 Ų1445.3 Ų45.37%0.06927%0.267CS..Hα-helixtrans-66.2-50.9172.4-171.460.653.100111.9L278 V279 L282 V285 S286 Q288 F292 L293 E294L278-M290 HydrophobicContact CB-SD 4.32Å; L278-M290 HydrophobicContact CD2-SD 4.17Å; L278-M290 HydrophobicContact CG-SD 4.14Å; V279-M290 HydrophobicContact CB-CE 4.16Å; V279-M290 HydrophobicContact CB-SD 4.13Å; V279-M290 HydrophobicContact CG2-CE 4.36Å; L282-M290 HydrophobicContact CB-CE 3.99Å; L282-M290 HydrophobicContact CD1-CE 4.27Å; V285-M290 HydrophobicContact CB-CE 4.09Å; V285-M290 HydrophobicContact CG1-CE 4.08Å; S286-M290 WeakPolarHBondContact O-CB 3.48Å; S286-M290 PolarHBondContact O-N 3.2Å; Q288-M290 VanDerWaalsContact C-N 3.31Å; Q288-M290 PolarHBondContact O-N 2.74Å; M290-F292 PolarHBondContact O-N 3.5Å; M290-L293 PolarHBondContact O-N 3.16Å; M290-L293 VanDerWaalsContact O-N 3.09Å; M290-E294 HydrophobicContact CG-CG 4.43Å; M290-E294 WeakPolarHBondContact O-CG 3.36Å; M290-E294 PolarHBondContact O-N 2.9Å; M290-E294 HydrophobicContact SD-CG 4.3Å
291D97.8Very high95.5Very high68 Ų6841 Ų4136%0.36425%0.245SC..Hα-helixtrans-57.3-32.2177.1175.878.9000112.5P287 Q288 K295 H313P287-D291 VanDerWaalsContact O-CB 3.23Å; P287-D291 WeakPolarHBondContact O-CB 3.15Å; P287-D291 PolarHBondContact O-N 3.3Å; Q288-D291 PolarHBondContact O-N 2.79Å; D291-K295 WeakPolarHBondContact O-CG 3.5Å; D291-K295 PolarHBondContact O-NZ 2.76Å; D291-K295 IonicContact OD1-NZ 3.4Å; D291-K295 PolarHBondContact OD1-NZ 3.32Å; D291-K295 IonicContact OD2-NZ 2.8Å; D291-K295 PolarHBondContact OD2-NZ 2.82Å; D291-H313 PolarHBondContact O-NE2 2.86Å; D291-H313 IonicContact OD2-CE1 2.76Å; D291-H313 PolarHBondContact OD2-CE1 2.98Å; D291-H313 IonicContact OD2-NE2 2.74Å; D291-H313 PolarHBondContact OD2-NE2 2.91Å
292F98.1Very high95.4Very high0 Ų041.3 Ų41.30%025%0.246CC..Hα-helixtrans-71.7-50.7171.7-179.5-116000112.5M133 L137 F222 Q288 M290 E294 K295 I296 L305 A310 H313 Y315 M316M133-F292 HydrophobicContact CE-CE1 3.78Å; M133-F292 HydrophobicContact CE-CZ 4.04Å; M133-F292 HydrophobicContact CG-CE1 3.99Å; M133-F292 HydrophobicContact CG-CZ 4.48Å; L137-F292 HydrophobicContact CD1-CZ 3.85Å; F222-F292 AromaticContact CD1-CD1 3.95Å; F222-F292 HydrophobicContact CD1-CD1 3.95Å; F222-F292 HydrophobicContact CD1-CE1 4.08Å; F222-F292 AromaticContact CE1-CD1 3.7Å; F222-F292 HydrophobicContact CE1-CD1 3.7Å; F222-F292 HydrophobicContact CE1-CE1 4.18Å; Q288-F292 WeakPolarHBondContact O-CB 3.36Å; Q288-F292 PolarHBondContact O-N 3.32Å; M290-F292 PolarHBondContact O-N 3.5Å; F292-E294 PolarHBondContact O-N 3.06Å; F292-K295 PolarHBondContact O-N 2.89Å; F292-I296 HydrophobicContact CD1-CD1 4.38Å; F292-I296 HydrophobicContact CD2-CD1 4.38Å; F292-I296 HydrophobicContact CE1-CD1 3.69Å; F292-I296 HydrophobicContact CE2-CD1 3.72Å; F292-I296 HydrophobicContact CZ-CD1 3.32Å; F292-I296 PolarHBondContact O-N 2.74Å; F292-L305 HydrophobicContact CE2-CD1 4.5Å; F292-A310 HydrophobicContact CE2-CB 3.93Å; F292-A310 WeakPolarHBondContact CE2-O 3.34Å; F292-A310 HydrophobicContact CZ-CB 4.19Å; F292-H313 HydrophobicContact CD2-CB 3.82Å; F292-H313 AromaticContact CD2-CG 3.53Å; F292-H313 AromaticContact CD2-ND1 3.49Å; F292-H313 WeakPolarHBondContact CD2-ND1 3.29Å; F292-H313 HydrophobicContact CE2-CB 3.96Å; F292-H313 PolarHBondContact N-CE1 3.17Å; F292-H313 VanDerWaalsContact N-CE1 3.32Å; F292-Y315 HydrophobicContact CB-CD1 4Å; F292-Y315 HydrophobicContact CB-CG 4.08Å; F292-Y315 AromaticContact CD1-CD1 3.72Å; F292-Y315 HydrophobicContact CD1-CD1 3.72Å; F292-Y315 HydrophobicContact CD1-CE1 4.26Å; F292-Y315 HydrophobicContact CE1-CD1 4.33Å; F292-Y315 AromaticContact CG-CD1 3.85Å; F292-Y315 HydrophobicContact CG-CD1 3.85Å; F292-Y315 HydrophobicContact CG-CG 4.34Å; F292-M316 HydrophobicContact CD1-CE 4.25Å; F292-M316 HydrophobicContact CE1-CE 3.49Å; F292-M316 VanDerWaalsContact CE1-CE 3.49Å; F292-M316 HydrophobicContact CE2-CE 4.33Å; F292-M316 HydrophobicContact CE2-CG 4.47Å; F292-M316 HydrophobicContact CZ-CE 3.53Å; F292-M316 HydrophobicContact CZ-CG 4.47Å
293L98.2Very high95.5Very high1 Ų144.6 Ų44.61%0.00526%0.263CS..Hα-helixtrans-58.3-42.4178.6-84.5165.5000112.9G219 F222 L226 L278 L282 A289 M290 K295 I296 L297G219-L293 WeakPolarHBondContact O-CD2 3.24Å; F222-L293 HydrophobicContact CD1-CD1 4.18Å; F222-L293 HydrophobicContact CD1-CD2 3.66Å; F222-L293 HydrophobicContact CD1-CG 3.72Å; F222-L293 HydrophobicContact CE1-CD1 4.15Å; F222-L293 HydrophobicContact CE1-CD2 4.35Å; F222-L293 HydrophobicContact CE1-CG 3.9Å; L226-L293 HydrophobicContact CD1-CD1 4.15Å; L278-L293 HydrophobicContact CD2-CB 3.99Å; L282-L293 HydrophobicContact CD1-CD1 3.68Å; A289-L293 WeakPolarHBondContact O-CB 3.34Å; A289-L293 WeakPolarHBondContact O-CG 3.19Å; A289-L293 PolarHBondContact O-N 2.99Å; M290-L293 PolarHBondContact O-N 3.16Å; M290-L293 VanDerWaalsContact O-N 3.09Å; L293-K295 PolarHBondContact O-N 3.48Å; L293-I296 PolarHBondContact O-N 2.87Å; L293-I296 VanDerWaalsContact O-N 3.09Å; L293-L297 HydrophobicContact CD2-CD1 3.96Å; L293-L297 WeakPolarHBondContact O-CB 3.44Å; L293-L297 PolarHBondContact O-N 2.97Å
294E96.9Very high95.8Very high101 Ų10140.2 Ų40.247%0.47223%0.233SC..Hα-helixtrans-64-23.6-179.8-71.4-173.7159.300113.2L278 M290 F292 T298L278-E294 HydrophobicContact CD2-CG 4.26Å; M290-E294 HydrophobicContact CG-CG 4.43Å; M290-E294 WeakPolarHBondContact O-CG 3.36Å; M290-E294 PolarHBondContact O-N 2.9Å; M290-E294 HydrophobicContact SD-CG 4.3Å; F292-E294 PolarHBondContact O-N 3.06Å; E294-T298 WeakPolarHBondContact O-CG2 3.45Å
295K97.8Very high96.3Very high68 Ų6837.4 Ų37.430%0.29620%0.198SC..Hα-helixtrans-88.3-15.5174.9-62.4-179.9-17167.30113.9D291 F292 L293 L305 H313D291-K295 WeakPolarHBondContact O-CG 3.5Å; D291-K295 PolarHBondContact O-NZ 2.76Å; D291-K295 IonicContact OD1-NZ 3.4Å; D291-K295 PolarHBondContact OD1-NZ 3.32Å; D291-K295 IonicContact OD2-NZ 2.8Å; D291-K295 PolarHBondContact OD2-NZ 2.82Å; F292-K295 PolarHBondContact O-N 2.89Å; L293-K295 PolarHBondContact O-N 3.48Å; K295-L305 HydrophobicContact CB-CD1 3.66Å; K295-L305 HydrophobicContact CB-CD2 4.25Å; K295-L305 HydrophobicContact CB-CG 3.74Å; K295-L305 HydrophobicContact CD-CD1 4.32Å; K295-L305 HydrophobicContact CD-CD2 4.49Å; K295-L305 PolarHBondContact O-N 2.94Å; K295-H313 VanDerWaalsContact CD-NE2 3.31Å; K295-H313 WeakPolarHBondContact CD-NE2 3.38Å; K295-H313 WeakPolarHBondContact CE-NE2 3.5Å; K295-H313 PolarHBondContact NZ-NE2 2.97Å
296I97.4Very high96.4Very high0 Ų039.1 Ų39.10%021%0.209CC..Hα-helixtrans-96-38174.2-66.5-175.6000111.2M133 M215 F292 L293 T298 R304 L305 A310M133-I296 HydrophobicContact CE-CD1 3.8Å; M215-I296 HydrophobicContact CE-CD1 4.3Å; M215-I296 WeakPolarHBondContact O-CG2 3.46Å; F292-I296 HydrophobicContact CD1-CD1 4.38Å; F292-I296 HydrophobicContact CD2-CD1 4.38Å; F292-I296 HydrophobicContact CE1-CD1 3.69Å; F292-I296 HydrophobicContact CE2-CD1 3.72Å; F292-I296 HydrophobicContact CZ-CD1 3.32Å; F292-I296 PolarHBondContact O-N 2.74Å; L293-I296 PolarHBondContact O-N 2.87Å; L293-I296 VanDerWaalsContact O-N 3.09Å; I296-T298 PolarHBondContact O-N 3.11Å; I296-R304 WeakPolarHBondContact O-CD 3.33Å; I296-R304 VanDerWaalsContact O-CG 3.23Å; I296-R304 WeakPolarHBondContact O-CG 3.35Å; I296-R304 PolarHBondContact O-NE 3.24Å; I296-L305 HydrophobicContact CG1-CB 4.37Å; I296-L305 HydrophobicContact CG1-CD1 4.23Å; I296-A310 HydrophobicContact CD1-CB 4.19Å
297L97.9Very high96.5Very high3 Ų338 Ų382%0.01620%0.201CC..SBendtrans-90.337-179.8-63.3176.9000112.6W216 L231 I248 L278 L293W216-L297 HydrophobicContact CD2-CD2 4Å; W216-L297 HydrophobicContact CE3-CD2 3.9Å; W216-L297 HydrophobicContact CH2-CD2 4.36Å; W216-L297 HydrophobicContact CZ2-CD2 4.43Å; W216-L297 HydrophobicContact CZ3-CB 4.25Å; W216-L297 HydrophobicContact CZ3-CD2 4.1Å; L231-L297 HydrophobicContact CD2-CD1 3.55Å; I248-L297 HydrophobicContact CD1-CB 4.05Å; I248-L297 WeakPolarHBondContact CD1-O 3.41Å; I248-L297 WeakPolarHBondContact CG2-O 3.25Å; L278-L297 HydrophobicContact CD1-CD1 4.32Å; L278-L297 HydrophobicContact CD2-CD1 3.98Å; L293-L297 HydrophobicContact CD2-CD1 3.96Å; L293-L297 WeakPolarHBondContact O-CB 3.44Å; L293-L297 PolarHBondContact O-N 2.97Å
298T96.8Very high96.5Very high26 Ų2638.1 Ų38.116%0.1619%0.191CC..  trans-70.115417154.60000111.4W216 E294 I296 N300 D303 R304W216-T298 WeakPolarHBondContact CZ3-O 3.49Å; E294-T298 WeakPolarHBondContact O-CG2 3.45Å; I296-T298 PolarHBondContact O-N 3.11Å; T298-N300 PolarHBondContact OG1-O 2.88Å; T298-D303 HydrophobicContact CG2-CB 4.39Å; T298-D303 WeakPolarHBondContact CG2-O 3.38Å; T298-R304 PolarHBondContact O-NH2 2.99Å; T298-R304 VanDerWaalsContact OG1-CA 3.28Å; T298-R304 WeakPolarHBondContact OG1-CA 3.29Å; T298-R304 VanDerWaalsContact OG1-CB 3.31Å; T298-R304 WeakPolarHBondContact OG1-CB 3.28Å; T298-R304 PolarHBondContact OG1-N 2.96Å
299F95.1Very high96.6Very high7 Ų736.2 Ų36.23%0.03118%0.182CC..SBendtrans-71-58.1176.3-172.5-86000111.9P200 L204 M241 I244 L245 I248 V250 D255 L259 R304P200-F299 HydrophobicContact CB-CD2 3.82Å; P200-F299 HydrophobicContact CB-CE1 4.42Å; P200-F299 HydrophobicContact CB-CE2 3.42Å; P200-F299 VanDerWaalsContact CB-CE2 3.42Å; P200-F299 HydrophobicContact CB-CG 4.47Å; P200-F299 HydrophobicContact CB-CZ 3.75Å; P200-F299 HydrophobicContact CG-CD2 3.97Å; P200-F299 HydrophobicContact CG-CE2 4.09Å; L204-F299 HydrophobicContact CD1-CE1 4.48Å; L204-F299 HydrophobicContact CD1-CZ 4.06Å; M241-F299 HydrophobicContact SD-CE2 4.17Å; I244-F299 HydrophobicContact CG2-CD2 4.43Å; L245-F299 HydrophobicContact CD2-CD2 4.12Å; L245-F299 HydrophobicContact CD2-CE2 3.7Å; I248-F299 HydrophobicContact CG2-CB 4.11Å; V250-F299 HydrophobicContact CG1-CD1 4.29Å; V250-F299 HydrophobicContact CG2-CD1 4.47Å; V250-F299 HydrophobicContact CG2-CD2 3.89Å; V250-F299 HydrophobicContact CG2-CE2 4.25Å; V250-F299 HydrophobicContact CG2-CG 4.02Å; D255-F299 HydrophobicContact CB-CD1 3.82Å; D255-F299 HydrophobicContact CB-CE1 3.71Å; L259-F299 HydrophobicContact CD1-CE1 4.08Å; L259-F299 HydrophobicContact CD1-CE2 4Å; L259-F299 HydrophobicContact CD1-CZ 3.59Å; L259-F299 HydrophobicContact CD2-CE2 4.49Å; L259-F299 HydrophobicContact CD2-CZ 4.01Å; L259-F299 HydrophobicContact CG-CE1 4.48Å; L259-F299 HydrophobicContact CG-CZ 3.9Å; F299-R304 PolarHBondContact O-NH2 3.15Å; F299-R304 VanDerWaalsContact O-NH2 3.13Å
300N93.4Very high96.7Very high9 Ų936.2 Ų36.25%0.04818%0.182CC..SBendtrans-70.9134-179-170.4-75.6000110.7R252 D255 T298 M302 D303R252-N300 WeakPolarHBondContact CD-ND2 3.46Å; D255-N300 PolarHBondContact OD1-ND2 3.1Å; D255-N300 WeakPolarHBondContact OD2-CB 3.33Å; D255-N300 PolarHBondContact OD2-ND2 2.9Å; T298-N300 PolarHBondContact OG1-O 2.88Å; N300-M302 VanDerWaalsContact C-N 3.26Å; N300-M302 PolarHBondContact O-N 3.46Å; N300-M302 WeakPolarHBondContact OD1-CA 3.35Å; N300-M302 VanDerWaalsContact OD1-CB 3.28Å; N300-M302 WeakPolarHBondContact OD1-CB 3.47Å; N300-M302 PolarHBondContact OD1-N 2.77Å; N300-D303 HydrophobicContact CB-CB 4.4Å; N300-D303 WeakPolarHBondContact CB-OD2 3.37Å; N300-D303 PolarHBondContact O-N 2.74Å
301P92.4Very high96.7Very high17 Ų1735.5 Ų35.511%0.1118%0.179CC..THydrogen-bonded Turntrans-67-20.7-179.228.8-36.8000114.5R201 A212 R304R201-P301 HydrophobicContact CB-CG 4.49Å; R201-P301 HydrophobicContact CG-CG 4.23Å; A212-P301 HydrophobicContact CB-CB 3.69Å; A212-P301 WeakPolarHBondContact CB-O 3.49Å; P301-R304 WeakPolarHBondContact O-CB 3.35Å
302M91.3Very high96.7Very high75 Ų7535.9 Ų35.937%0.36919%0.192SC..THydrogen-bonded Turntrans-87.9-15.3-179.1-56.2-58.6-67.400113.6N300 R304 D395 R397N300-M302 VanDerWaalsContact C-N 3.26Å; N300-M302 PolarHBondContact O-N 3.46Å; N300-M302 WeakPolarHBondContact OD1-CA 3.35Å; N300-M302 VanDerWaalsContact OD1-CB 3.28Å; N300-M302 WeakPolarHBondContact OD1-CB 3.47Å; N300-M302 PolarHBondContact OD1-N 2.77Å; M302-R304 VanDerWaalsContact C-N 3.34Å; M302-D395 HydrophobicContact CE-CB 4.3Å; M302-R397 PolarHBondContact O-NH2 3.42Å
303D94.2Very high96.7Very high74 Ų7436.7 Ų36.740%0.39620%0.195SC..SBendtrans-89.4-3.5171.3-64-35000111.9R252 T298 N300R252-D303 IonicContact CZ-OD1 3.76Å; R252-D303 IonicContact CZ-OD2 3.89Å; R252-D303 IonicContact NE-OD1 3.59Å; R252-D303 IonicContact NE-OD2 2.74Å; R252-D303 PolarHBondContact NE-OD2 2.74Å; R252-D303 VanDerWaalsContact NH2-CG 3.3Å; R252-D303 IonicContact NH2-OD1 2.76Å; R252-D303 PolarHBondContact NH2-OD1 3.09Å; R252-D303 IonicContact NH2-OD2 3.28Å; R252-D303 PolarHBondContact NH2-OD2 2.9Å; T298-D303 HydrophobicContact CG2-CB 4.39Å; T298-D303 WeakPolarHBondContact CG2-O 3.38Å; N300-D303 HydrophobicContact CB-CB 4.4Å; N300-D303 WeakPolarHBondContact CB-OD2 3.37Å; N300-D303 PolarHBondContact O-N 2.74Å
304R97.1Very high96.6Very high12 Ų1241.3 Ų41.35%0.04523%0.225CC..SBendtrans-86.3138.2-178.8-165.6167.1-59.612617.5111A212 M215 I296 T298 F299 P301 M302 T306A212-R304 HydrophobicContact CB-CB 4.46Å; A212-R304 WeakPolarHBondContact O-CD 3.46Å; A212-R304 PolarHBondContact O-NH1 3.31Å; M215-R304 HydrophobicContact CB-CG 4.34Å; I296-R304 WeakPolarHBondContact O-CD 3.33Å; I296-R304 VanDerWaalsContact O-CG 3.23Å; I296-R304 WeakPolarHBondContact O-CG 3.35Å; I296-R304 PolarHBondContact O-NE 3.24Å; T298-R304 PolarHBondContact O-NH2 2.99Å; T298-R304 VanDerWaalsContact OG1-CA 3.28Å; T298-R304 WeakPolarHBondContact OG1-CA 3.29Å; T298-R304 VanDerWaalsContact OG1-CB 3.31Å; T298-R304 WeakPolarHBondContact OG1-CB 3.28Å; T298-R304 PolarHBondContact OG1-N 2.96Å; F299-R304 PolarHBondContact O-NH2 3.15Å; F299-R304 VanDerWaalsContact O-NH2 3.13Å; P301-R304 WeakPolarHBondContact O-CB 3.35Å; M302-R304 VanDerWaalsContact C-N 3.34Å; R304-T306 PolarHBondContact O-N 3.01Å
305L98.1Very high96.7Very high27 Ų2736.6 Ų36.614%0.14120%0.203CC..PPolyproline II helixtrans-58.9137.2169.8-56.8178.5000110.9M215 F292 K295 I296 E309 A310M215-L305 WeakPolarHBondContact CE-O 3.28Å; F292-L305 HydrophobicContact CE2-CD1 4.5Å; K295-L305 HydrophobicContact CB-CD1 3.66Å; K295-L305 HydrophobicContact CB-CD2 4.25Å; K295-L305 HydrophobicContact CB-CG 3.74Å; K295-L305 HydrophobicContact CD-CD1 4.32Å; K295-L305 HydrophobicContact CD-CD2 4.49Å; K295-L305 PolarHBondContact O-N 2.94Å; I296-L305 HydrophobicContact CG1-CB 4.37Å; I296-L305 HydrophobicContact CG1-CD1 4.23Å; L305-E309 HydrophobicContact CB-CB 4.19Å; L305-E309 HydrophobicContact CD2-CB 3.98Å; L305-A310 HydrophobicContact CB-CB 4.16Å; L305-A310 HydrophobicContact CD1-CB 4.28Å
306T98.2Very high96.6Very high62 Ų6233.4 Ų33.438%0.3819%0.189SC..PPolyproline II helixtrans-70.9169.4160.458.70000111.1R304 E308 E309 A310R304-T306 PolarHBondContact O-N 3.01Å; T306-E308 PolarHBondContact O-N 3.21Å; T306-E309 VanDerWaalsContact CB-OE2 3.32Å; T306-E309 WeakPolarHBondContact CB-OE2 3.34Å; T306-E309 VanDerWaalsContact CG2-OE2 3.32Å; T306-E309 WeakPolarHBondContact CG2-OE2 3.42Å; T306-E309 PolarHBondContact N-OE2 3.06Å; T306-E309 PolarHBondContact O-N 2.86Å; T306-E309 VanDerWaalsContact OG1-CD 3.32Å; T306-E309 WeakPolarHBondContact OG1-CG 3.46Å; T306-E309 PolarHBondContact OG1-N 2.74Å; T306-E309 PolarHBondContact OG1-OE2 2.67Å; T306-A310 WeakPolarHBondContact O-CB 3.45Å; T306-A310 PolarHBondContact O-N 2.93Å
307A98Very high96.5Very high3 Ų336.8 Ų36.83%0.02522%0.218CC..Hα-helixtrans-58-37.3176.300000112.4L140 K141 M215 L311L140-A307 HydrophobicContact CB-CB 4.17Å; K141-A307 HydrophobicContact CB-CB 4.1Å; M215-A307 HydrophobicContact SD-CB 3.83Å; M215-A307 PolarHBondContact SD-N 2.77Å; M215-A307 VanDerWaalsContact SD-N 3.41Å; A307-L311 WeakPolarHBondContact O-CD1 3.34Å; A307-L311 VanDerWaalsContact O-CG 3.25Å; A307-L311 WeakPolarHBondContact O-CG 3.28Å; A307-L311 PolarHBondContact O-N 3.01Å
308E97.2Very high96.2Very high117 Ų11740.5 Ų40.555%0.54724%0.237SC..Hα-helixtrans-72.2-46.4178.8-177.9157.9-127.400112.7K141 T306 A310 L311 A312K141-E308 VanDerWaalsContact CE-OE1 3.26Å; K141-E308 WeakPolarHBondContact CE-OE1 3.31Å; K141-E308 IonicContact NZ-OE1 2.71Å; T306-E308 PolarHBondContact O-N 3.21Å; E308-A310 PolarHBondContact O-N 3.19Å; E308-L311 PolarHBondContact O-N 3.23Å; E308-A312 WeakPolarHBondContact O-CB 3.4Å; E308-A312 PolarHBondContact O-N 3.14Å
309E98.1Very high96.1Very high76 Ų7641.3 Ų41.336%0.35524%0.238SC..Hα-helixtrans-64.1-28.3174.1-65.7161.4129.800112.2L305 T306 H313 R397L305-E309 HydrophobicContact CB-CB 4.19Å; L305-E309 HydrophobicContact CD2-CB 3.98Å; T306-E309 VanDerWaalsContact CB-OE2 3.32Å; T306-E309 WeakPolarHBondContact CB-OE2 3.34Å; T306-E309 VanDerWaalsContact CG2-OE2 3.32Å; T306-E309 WeakPolarHBondContact CG2-OE2 3.42Å; T306-E309 PolarHBondContact N-OE2 3.06Å; T306-E309 PolarHBondContact O-N 2.86Å; T306-E309 VanDerWaalsContact OG1-CD 3.32Å; T306-E309 WeakPolarHBondContact OG1-CG 3.46Å; T306-E309 PolarHBondContact OG1-N 2.74Å; T306-E309 PolarHBondContact OG1-OE2 2.67Å; E309-H313 PolarHBondContact O-N 2.95Å; E309-R397 IonicContact OE1-NH1 3.99Å
310A98.3Very high95.9Very high0 Ų042.5 Ų42.50%025%0.247CC..Hα-helixtrans-76.4-36.1175.200000113.2L137 M215 F292 I296 L305 T306 E308 H313L137-A310 HydrophobicContact CD1-CB 4.12Å; L137-A310 HydrophobicContact CD2-CB 3.83Å; M215-A310 HydrophobicContact CE-CB 3.84Å; F292-A310 HydrophobicContact CE2-CB 3.93Å; F292-A310 WeakPolarHBondContact CE2-O 3.34Å; F292-A310 HydrophobicContact CZ-CB 4.19Å; I296-A310 HydrophobicContact CD1-CB 4.19Å; L305-A310 HydrophobicContact CB-CB 4.16Å; L305-A310 HydrophobicContact CD1-CB 4.28Å; T306-A310 WeakPolarHBondContact O-CB 3.45Å; T306-A310 PolarHBondContact O-N 2.93Å; E308-A310 PolarHBondContact O-N 3.19Å; A310-H313 VanDerWaalsContact O-CB 3.28Å; A310-H313 WeakPolarHBondContact O-CB 3.48Å; A310-H313 PolarHBondContact O-N 3.15Å
311L98.1Very high95.9Very high0 Ų047 Ų470%027%0.266CS..Hα-helixtrans-66.5-40.4171.3-73.7161.3000111.2Y134 L137 K141 A307 E308 H313 M316 S320 E325Y134-L311 HydrophobicContact CD2-CD2 3.44Å; Y134-L311 VanDerWaalsContact CD2-CD2 3.44Å; Y134-L311 HydrophobicContact CE2-CD2 3.55Å; Y134-L311 HydrophobicContact CG-CD2 4.49Å; L137-L311 HydrophobicContact CB-CD1 4.34Å; L137-L311 HydrophobicContact CB-CD2 3.72Å; L137-L311 HydrophobicContact CB-CG 3.83Å; K141-L311 HydrophobicContact CB-CD1 4.07Å; K141-L311 HydrophobicContact CD-CD1 3.78Å; K141-L311 HydrophobicContact CG-CD1 4.37Å; A307-L311 WeakPolarHBondContact O-CD1 3.34Å; A307-L311 VanDerWaalsContact O-CG 3.25Å; A307-L311 WeakPolarHBondContact O-CG 3.28Å; A307-L311 PolarHBondContact O-N 3.01Å; E308-L311 PolarHBondContact O-N 3.23Å; L311-H313 PolarHBondContact O-N 2.8Å; L311-M316 WeakPolarHBondContact O-CB 3.49Å; L311-S320 VanDerWaalsContact O-CB 3.29Å; L311-S320 WeakPolarHBondContact O-CB 3.39Å; L311-S320 PolarHBondContact O-OG 2.87Å; L311-E325 HydrophobicContact CD1-CG 4.3Å
312A97.6Very high95.9Very high76 Ų7650.4 Ų50.463%0.62829%0.288SS*.THydrogen-bonded Turntrans-73-0.1175.300000114.6E308E308-A312 WeakPolarHBondContact O-CB 3.4Å; E308-A312 PolarHBondContact O-N 3.14Å
313H98.3Very high95.9Very high17 Ų1754.1 Ų54.18%0.07931%0.309CS..SBendtrans-72.4142.1-178.5-171.7-89.3000111.5Q288 D291 F292 K295 E309 A310 L311 Y315 M316Q288-H313 PolarHBondContact O-CE1 3.28Å; D291-H313 PolarHBondContact O-NE2 2.86Å; D291-H313 IonicContact OD2-CE1 2.76Å; D291-H313 PolarHBondContact OD2-CE1 2.98Å; D291-H313 IonicContact OD2-NE2 2.74Å; D291-H313 PolarHBondContact OD2-NE2 2.91Å; F292-H313 HydrophobicContact CD2-CB 3.82Å; F292-H313 AromaticContact CD2-CG 3.53Å; F292-H313 AromaticContact CD2-ND1 3.49Å; F292-H313 WeakPolarHBondContact CD2-ND1 3.29Å; F292-H313 HydrophobicContact CE2-CB 3.96Å; F292-H313 PolarHBondContact N-CE1 3.17Å; F292-H313 VanDerWaalsContact N-CE1 3.32Å; K295-H313 VanDerWaalsContact CD-NE2 3.31Å; K295-H313 WeakPolarHBondContact CD-NE2 3.38Å; K295-H313 WeakPolarHBondContact CE-NE2 3.5Å; K295-H313 PolarHBondContact NZ-NE2 2.97Å; E309-H313 PolarHBondContact O-N 2.95Å; A310-H313 VanDerWaalsContact O-CB 3.28Å; A310-H313 WeakPolarHBondContact O-CB 3.48Å; A310-H313 PolarHBondContact O-N 3.15Å; L311-H313 PolarHBondContact O-N 2.8Å; H313-Y315 VanDerWaalsContact ND1-CB 3.31Å; H313-Y315 WeakPolarHBondContact ND1-CB 3.17Å; H313-Y315 PolarHBondContact ND1-N 3.38Å; H313-Y315 VanDerWaalsContact ND1-N 3.1Å; H313-Y315 PolarHBondContact O-N 3.2Å; H313-M316 PolarHBondContact O-N 2.99Å
314P97.3Very high95.9Very high98 Ų9854 Ų5464%0.63631%0.308SS*.G310 helixtrans-53.8-25.6-179.3-30.236.8000115.7M316 A317P314-M316 VanDerWaalsContact C-N 3.28Å; P314-M316 PolarHBondContact O-N 2.81Å; P314-A317 WeakPolarHBondContact O-CB 3.11Å; P314-A317 PolarHBondContact O-N 3.17Å
315Y97.5Very high95.9Very high2 Ų253.8 Ų53.81%0.00831%0.308CS..G310 helixtrans-68.1-25.4175-177.3-111.5000113.6E126 R130 F222 Q288 A289 F292 H313E126-Y315 VanDerWaalsContact CG-OH 3.25Å; E126-Y315 WeakPolarHBondContact CG-OH 3.4Å; E126-Y315 WeakPolarHBondContact OE1-CE2 3.29Å; R130-Y315 HydrophobicContact CB-CE1 4.24Å; R130-Y315 WeakPolarHBondContact CD-O 3.34Å; R130-Y315 HydrophobicContact CG-CD1 4.44Å; R130-Y315 HydrophobicContact CG-CE1 3.76Å; R130-Y315 VanDerWaalsContact NE-CE2 3.33Å; R130-Y315 VanDerWaalsContact NE-CZ 3.28Å; R130-Y315 PolarHBondContact NE-OH 3.05Å; F222-Y315 AromaticContact CE1-CE1 3.97Å; F222-Y315 HydrophobicContact CE1-CE1 3.97Å; F222-Y315 HydrophobicContact CE2-CE1 4.09Å; F222-Y315 HydrophobicContact CZ-CD1 4.37Å; F222-Y315 AromaticContact CZ-CE1 3.35Å; F222-Y315 HydrophobicContact CZ-CE1 3.35Å; F222-Y315 AromaticContact CZ-CZ 3.7Å; Q288-Y315 HydrophobicContact CB-CD2 3.67Å; Q288-Y315 HydrophobicContact CB-CE2 4.4Å; A289-Y315 HydrophobicContact CB-CD2 4.29Å; A289-Y315 HydrophobicContact CB-CE1 4.35Å; A289-Y315 HydrophobicContact CB-CE2 3.64Å; F292-Y315 HydrophobicContact CB-CD1 4Å; F292-Y315 HydrophobicContact CB-CG 4.08Å; F292-Y315 AromaticContact CD1-CD1 3.72Å; F292-Y315 HydrophobicContact CD1-CD1 3.72Å; F292-Y315 HydrophobicContact CD1-CE1 4.26Å; F292-Y315 HydrophobicContact CE1-CD1 4.33Å; F292-Y315 AromaticContact CG-CD1 3.85Å; F292-Y315 HydrophobicContact CG-CD1 3.85Å; F292-Y315 HydrophobicContact CG-CG 4.34Å; H313-Y315 VanDerWaalsContact ND1-CB 3.31Å; H313-Y315 WeakPolarHBondContact ND1-CB 3.17Å; H313-Y315 PolarHBondContact ND1-N 3.38Å; H313-Y315 VanDerWaalsContact ND1-N 3.1Å; H313-Y315 PolarHBondContact O-N 3.2Å
316M97Very high95.8Very high0 Ų054.9 Ų54.90%032%0.317CS..G310 helixtrans-96.12.1178.2-65.3-58.2174.900113.4R130 M133 L137 F292 L311 H313 P314 D318 Y319 S320R130-M316 HydrophobicContact CG-SD 4.01Å; M133-M316 HydrophobicContact CB-CE 3.88Å; M133-M316 HydrophobicContact CG-CE 3.48Å; M133-M316 VanDerWaalsContact CG-CE 3.48Å; L137-M316 HydrophobicContact CD1-CE 3.86Å; F292-M316 HydrophobicContact CD1-CE 4.25Å; F292-M316 HydrophobicContact CE1-CE 3.49Å; F292-M316 VanDerWaalsContact CE1-CE 3.49Å; F292-M316 HydrophobicContact CE2-CE 4.33Å; F292-M316 HydrophobicContact CE2-CG 4.47Å; F292-M316 HydrophobicContact CZ-CE 3.53Å; F292-M316 HydrophobicContact CZ-CG 4.47Å; L311-M316 WeakPolarHBondContact O-CB 3.49Å; H313-M316 PolarHBondContact O-N 2.99Å; P314-M316 VanDerWaalsContact C-N 3.28Å; P314-M316 PolarHBondContact O-N 2.81Å; M316-D318 PolarHBondContact O-N 3.09Å; M316-Y319 PolarHBondContact O-N 2.83Å; M316-S320 PolarHBondContact O-N 3.16Å
317A94.3Very high95.7Very high72 Ų7256.5 Ų56.560%0.59532%0.322SS*.THydrogen-bonded Turntrans-63.9-15.1-173.300000115.3P314 Y319P314-A317 WeakPolarHBondContact O-CB 3.11Å; P314-A317 PolarHBondContact O-N 3.17Å; A317-Y319 VanDerWaalsContact C-N 3.3Å
318D92.5Very high95.5Very high81 Ų8156.8 Ų56.843%0.43332%0.324SS..THydrogen-bonded Turntrans-70.3-26.7170.3-71.8-50.2000112.9R130 M316R130-D318 IonicContact CZ-OD2 2.79Å; R130-D318 IonicContact NH1-OD2 2.9Å; R130-D318 PolarHBondContact NH1-OD2 3.48Å; M316-D318 PolarHBondContact O-N 3.09Å
319Y93.6Very high95.2Very high43 Ų4358 Ų5817%0.16933%0.333CS..THydrogen-bonded Turntrans-121.9-29.4-168.7-56.9-37000114.2R130 L131 Y134 M316 A317 F321 Y661R130-Y319 HydrophobicContact CB-CE2 4.01Å; R130-Y319 HydrophobicContact CG-CD2 4.05Å; R130-Y319 HydrophobicContact CG-CE2 3.71Å; L131-Y319 HydrophobicContact CB-CE2 3.95Å; Y134-Y319 HydrophobicContact CG-CD2 4.37Å; Y134-Y319 HydrophobicContact CG-CG 4.42Å; Y134-Y319 PolarHBondContact OH-O 2.83Å; M316-Y319 PolarHBondContact O-N 2.83Å; A317-Y319 VanDerWaalsContact C-N 3.3Å; Y319-F321 PolarHBondContact O-N 3.17Å; Y319-Y661 AromaticContact CD1-CE2 3.63Å; Y319-Y661 HydrophobicContact CD1-CE2 3.63Å; Y319-Y661 AromaticContact CE1-CE2 3.85Å; Y319-Y661 HydrophobicContact CE1-CE2 3.85Å; Y319-Y661 AromaticContact CE1-CZ 3.92Å; Y319-Y661 WeakPolarHBondContact CE1-OH 3.43Å; Y319-Y661 HydrophobicContact CG-CE2 4.43Å
320S91.7Very high94.7Very high32 Ų3260.6 Ų60.622%0.22435%0.345CS..  trans-59.5128.6-179.4177.60000111.9L311 M316 E325L311-S320 VanDerWaalsContact O-CB 3.29Å; L311-S320 WeakPolarHBondContact O-CB 3.39Å; L311-S320 PolarHBondContact O-OG 2.87Å; M316-S320 PolarHBondContact O-N 3.16Å; S320-E325 WeakPolarHBondContact CA-OE1 3.27Å; S320-E325 WeakPolarHBondContact CB-OE1 3.12Å; S320-E325 PolarHBondContact OG-OE1 3.32Å
321F93.3Very high94.3Very high103 Ų10362.7 Ų62.745%0.45236%0.359SS..  trans-149.788.5178.2-179.1-131.7000108.1Y319 L323 D324 E325Y319-F321 PolarHBondContact O-N 3.17Å; F321-L323 HydrophobicContact CE1-CB 4.09Å; F321-L323 HydrophobicContact CE2-CB 4.21Å; F321-L323 HydrophobicContact CE2-CD1 4.04Å; F321-L323 HydrophobicContact CE2-CG 4.4Å; F321-L323 HydrophobicContact CZ-CB 3.86Å; F321-L323 HydrophobicContact CZ-CD1 3.94Å; F321-L323 HydrophobicContact CZ-CG 4.39Å; F321-L323 PolarHBondContact O-N 3.03Å; F321-D324 HydrophobicContact CD1-CB 3.58Å; F321-D324 HydrophobicContact CE1-CB 4.14Å; F321-D324 CarbonylContact O-C 3.55Å; F321-D324 WeakPolarHBondContact O-CA 3.41Å; F321-D324 PolarHBondContact O-N 3.48Å; F321-E325 PolarHBondContact N-OE1 3.26Å; F321-E325 PolarHBondContact O-N 3Å
322P92.8Very high93.9Very high88 Ų8862.8 Ų62.857%0.57136%0.359SS*.G310 helixtrans-56.2-17.9-168.2-32.237.6000117.1E325P322-E325 PolarHBondContact O-N 3.15Å
323L91.9Very high93.3Very high154 Ų15464.6 Ų64.681%0.80635%0.354SS*.G310 helixtrans-76.2-22.1173.9-63.9174.9000113.5F321F321-L323 HydrophobicContact CE1-CB 4.09Å; F321-L323 HydrophobicContact CE2-CB 4.21Å; F321-L323 HydrophobicContact CE2-CD1 4.04Å; F321-L323 HydrophobicContact CE2-CG 4.4Å; F321-L323 HydrophobicContact CZ-CB 3.86Å; F321-L323 HydrophobicContact CZ-CD1 3.94Å; F321-L323 HydrophobicContact CZ-CG 4.39Å; F321-L323 PolarHBondContact O-N 3.03Å
324D93.7Very high92.4Very high70 Ų7065.2 Ų65.237%0.37436%0.358SS..G310 helixtrans-10822.3171.6-174.339.4000111.3R138 F321 P326R138-D324 IonicContact CZ-OD1 3.32Å; R138-D324 PolarHBondContact NE-O 3.38Å; R138-D324 IonicContact NE-OD1 3.87Å; R138-D324 IonicContact NE-OD2 3.19Å; R138-D324 PolarHBondContact NH2-O 3.16Å; R138-D324 IonicContact NH2-OD1 2.84Å; R138-D324 PolarHBondContact NH2-OD1 3.39Å; R138-D324 IonicContact NH2-OD2 2.77Å; F321-D324 HydrophobicContact CD1-CB 3.58Å; F321-D324 HydrophobicContact CE1-CB 4.14Å; F321-D324 CarbonylContact O-C 3.55Å; F321-D324 WeakPolarHBondContact O-CA 3.41Å; F321-D324 PolarHBondContact O-N 3.48Å; D324-P326 VanDerWaalsContact O-CD 3.24Å; D324-P326 WeakPolarHBondContact O-CD 3.1Å
325E96.1Very high91.3Very high8 Ų867 Ų674%0.03736%0.358CS..SBendtrans-116.369.3172.5-65.5170.3-162.100109.7K141 L311 S320 F321 P322K141-E325 HydrophobicContact CD-CB 3.9Å; K141-E325 WeakPolarHBondContact CD-O 3.2Å; K141-E325 WeakPolarHBondContact CE-O 3.39Å; K141-E325 PolarHBondContact NZ-O 3.26Å; K141-E325 IonicContact NZ-OE2 2.74Å; K141-E325 PolarHBondContact NZ-OE2 3.32Å; L311-E325 HydrophobicContact CD1-CG 4.3Å; S320-E325 WeakPolarHBondContact CA-OE1 3.27Å; S320-E325 WeakPolarHBondContact CB-OE1 3.12Å; S320-E325 PolarHBondContact OG-OE1 3.32Å; F321-E325 PolarHBondContact N-OE1 3.26Å; F321-E325 PolarHBondContact O-N 3Å; P322-E325 PolarHBondContact O-N 3.15Å
326P96.3Very high90.2Very high51 Ų5169 Ų6933%0.33137%0.369SS..  trans-70.3157.5-168.130.9-38.5000113.4D324D324-P326 VanDerWaalsContact O-CD 3.24Å; D324-P326 WeakPolarHBondContact O-CD 3.1Å
327I96.4Very high89Confident95 Ų9569.6 Ų69.649%0.48737%0.371SS..  trans-110.4156.6170.758.3170.1000110.4K141 S145 L329K141-I327 HydrophobicContact CG-CG2 4.49Å; S145-I327 WeakPolarHBondContact OG-CA 3.45Å; S145-I327 WeakPolarHBondContact OG-CB 3.17Å; I327-L329 PolarHBondContact O-N 3.27Å
328S94.1Very high87.2Confident9 Ų968.2 Ų68.26%0.06336%0.356CS..  trans-70.6123.6167.71780000109.8S145 H330S145-S328 PolarHBondContact OG-N 3.48Å; S328-H330 PolarHBondContact O-N 2.85Å; S328-H330 PolarHBondContact OG-N 3.14Å; S328-H330 PolarHBondContact OG-O 3.27Å
329L90.7Very high85.5Confident144 Ų14469.3 Ų69.375%0.75436%0.362SS*.SBendtrans-73.6-7.7173.9-57.8179000112.8I327I327-L329 PolarHBondContact O-N 3.27Å
330H87.6Confident83.6Confident129 Ų12968 Ų6860%0.59736%0.358SS*.SBendtrans-133.277.9-173.2-57.8-36.4000110.9R71 S328R71-H330 PolarHBondContact NE-O 2.83Å; R71-H330 PolarHBondContact NH2-O 3.14Å; S328-H330 PolarHBondContact O-N 2.85Å; S328-H330 PolarHBondContact OG-N 3.14Å; S328-H330 PolarHBondContact OG-O 3.27Å
331P89.8Confident81.8Confident44 Ų4468.5 Ų68.529%0.28636%0.357SS..  trans-58.9144.6175.2-20.832.9000112.6R71 N147 H333R71-P331 VanDerWaalsContact NH2-C 3.26Å; R71-P331 PolarHBondContact NH2-O 3.04Å; N147-P331 HydrophobicContact CB-CB 4.45Å; P331-H333 PolarHBondContact O-CD2 2.66Å; P331-H333 VanDerWaalsContact O-CD2 3.27Å
332F88.9Confident79.7Confident3 Ų367 Ų671%0.01336%0.356CS..  trans-75.1152172-70.9-97.3000111I68 R71 L72 A146 V148 I177 D336I68-F332 HydrophobicContact CB-CZ 4.5Å; I68-F332 HydrophobicContact CG1-CE1 4.34Å; I68-F332 HydrophobicContact CG1-CZ 4.31Å; R71-F332 HydrophobicContact CB-CE1 4.48Å; R71-F332 HydrophobicContact CB-CZ 3.81Å; R71-F332 HydrophobicContact CG-CE1 4.34Å; R71-F332 HydrophobicContact CG-CE2 4.12Å; R71-F332 HydrophobicContact CG-CZ 3.69Å; L72-F332 HydrophobicContact CD2-CE2 4.37Å; A146-F332 HydrophobicContact CB-CD2 4.21Å; A146-F332 HydrophobicContact CB-CE2 4.45Å; A146-F332 WeakPolarHBondContact O-CD2 3.39Å; A146-F332 PolarHBondContact O-N 3.36Å; V148-F332 HydrophobicContact CG2-CD2 3.47Å; V148-F332 VanDerWaalsContact CG2-CD2 3.47Å; V148-F332 HydrophobicContact CG2-CE2 3.78Å; V148-F332 HydrophobicContact CG2-CG 4.18Å; I177-F332 HydrophobicContact CB-CB 4.4Å; I177-F332 HydrophobicContact CD1-CB 3.9Å; I177-F332 HydrophobicContact CD1-CD1 3.94Å; I177-F332 HydrophobicContact CD1-CG 4.24Å; I177-F332 HydrophobicContact CG1-CB 3.76Å; I177-F332 HydrophobicContact CG1-CD1 4.35Å; I177-F332 HydrophobicContact CG1-CG 4.22Å; I177-F332 HydrophobicContact CG2-CB 3.75Å; F332-D336 WeakPolarHBondContact CA-OD2 3.4Å; F332-D336 HydrophobicContact CD1-CB 4.17Å
333H85.4Confident77.8Confident114 Ų11467 Ų6753%0.52835%0.351SS..  trans-122.6160.3178.8-65.5-91.6000110.1P331 E335 D336P331-H333 PolarHBondContact O-CD2 2.66Å; P331-H333 VanDerWaalsContact O-CD2 3.27Å; H333-E335 PolarHBondContact O-N 2.89Å; H333-D336 PolarHBondContact N-OD2 2.85Å; H333-D336 VanDerWaalsContact O-CB 3.29Å; H333-D336 WeakPolarHBondContact O-CB 3.47Å; H333-D336 PolarHBondContact O-N 3.27Å
334I78.9Confident75.9Confident30 Ų3060.1 Ų60.115%0.15432%0.315CS..THydrogen-bonded Turntrans-63-26.8-176.4-161.360.3000112.9D179 Y182 D336 E337 V338D179-I334 HydrophobicContact CB-CB 3.92Å; D179-I334 HydrophobicContact CB-CD1 4.17Å; D179-I334 HydrophobicContact CB-CG1 4.24Å; D179-I334 WeakPolarHBondContact OD2-CG2 3.42Å; Y182-I334 HydrophobicContact CD1-CD1 3.78Å; Y182-I334 HydrophobicContact CD1-CG1 4.29Å; Y182-I334 HydrophobicContact CD2-CG1 4.15Å; Y182-I334 HydrophobicContact CE1-CD1 4.42Å; Y182-I334 HydrophobicContact CG-CD1 3.83Å; Y182-I334 HydrophobicContact CG-CG1 3.84Å; I334-D336 VanDerWaalsContact C-N 3.28Å; I334-D336 PolarHBondContact O-N 2.99Å; I334-E337 CarbonylContact O-C 3.54Å; I334-E337 WeakPolarHBondContact O-CA 3.32Å; I334-E337 PolarHBondContact O-N 3.5Å; I334-V338 HydrophobicContact CG1-CG2 3.87Å; I334-V338 WeakPolarHBondContact O-CB 2.94Å; I334-V338 WeakPolarHBondContact O-CG2 3.23Å; I334-V338 PolarHBondContact O-N 2.91Å
335E75.3Confident74Confident135 Ų13562.5 Ų62.563%0.63133%0.328SS*.Hα-helixtrans-57.3-38.2173.8-67.7162.1-160.700111.7H333 E337 V338 D339H333-E335 PolarHBondContact O-N 2.89Å; E335-E337 PolarHBondContact O-N 3.46Å; E335-E337 VanDerWaalsContact O-N 3.1Å; E335-V338 PolarHBondContact O-N 3.02Å; E335-V338 VanDerWaalsContact O-N 3.16Å; E335-D339 PolarHBondContact O-N 3.46Å
336D74.9Confident71.6Confident45 Ų4568 Ų6824%0.24135%0.353CS..Hα-helixtrans-57-27.1174-67.4-64000112.2K67 R71 I177 F332 H333 I334K67-D336 WeakPolarHBondContact CD-O 3.37Å; K67-D336 PolarHBondContact NZ-O 3.19Å; R71-D336 IonicContact NH1-OD1 2.64Å; R71-D336 PolarHBondContact NH1-OD1 3.05Å; R71-D336 VanDerWaalsContact NH1-OD1 3.14Å; R71-D336 IonicContact NH1-OD2 3.94Å; R71-D336 PolarHBondContact NH1-OD2 2.91Å; I177-D336 HydrophobicContact CD1-CB 3.69Å; F332-D336 WeakPolarHBondContact CA-OD2 3.4Å; F332-D336 HydrophobicContact CD1-CB 4.17Å; H333-D336 PolarHBondContact N-OD2 2.85Å; H333-D336 VanDerWaalsContact O-CB 3.29Å; H333-D336 WeakPolarHBondContact O-CB 3.47Å; H333-D336 PolarHBondContact O-N 3.27Å; I334-D336 VanDerWaalsContact C-N 3.28Å; I334-D336 PolarHBondContact O-N 2.99Å
337E70.1Confident69.4Low11 Ų1168.5 Ų68.55%0.05136%0.358CS..Hα-helixtrans-101.1-21.4178.8-179.5164.5174.800113.9R64 R176 I177 H184 I334 E335 I341R64-E337 IonicContact CZ-OE1 2.95Å; R64-E337 VanDerWaalsContact CZ-OE1 3.24Å; R64-E337 IonicContact NE-OE1 3.52Å; R64-E337 PolarHBondContact NE-OE1 2.88Å; R64-E337 IonicContact NE-OE2 3.24Å; R64-E337 PolarHBondContact NE-OE2 2.98Å; R64-E337 IonicContact NH2-OE1 3.73Å; R64-E337 PolarHBondContact NH2-OE1 3.35Å; R176-E337 WeakPolarHBondContact CD-OE1 3.38Å; R176-E337 IonicContact CZ-OE1 3.68Å; R176-E337 IonicContact NE-OE1 2.7Å; R176-E337 IonicContact NH1-OE1 3.48Å; R176-E337 PolarHBondContact NH1-OE1 3.5Å; I177-E337 HydrophobicContact CD1-CB 3.99Å; H184-E337 IonicContact CE1-OE1 2.78Å; H184-E337 IonicContact CE1-OE2 2.71Å; I334-E337 CarbonylContact O-C 3.54Å; I334-E337 WeakPolarHBondContact O-CA 3.32Å; I334-E337 PolarHBondContact O-N 3.5Å; E335-E337 PolarHBondContact O-N 3.46Å; E335-E337 VanDerWaalsContact O-N 3.1Å; E337-I341 WeakPolarHBondContact O-CD1 3.29Å; E337-I341 WeakPolarHBondContact O-CG1 3.35Å
338V58.3Low66.9Low44 Ų4470.2 Ų70.227%0.26736%0.364SS..Hα-helixtrans-95.4-36.4-169.6166.10000114.4I334 E335 D340 I341 V342I334-V338 HydrophobicContact CG1-CG2 3.87Å; I334-V338 WeakPolarHBondContact O-CB 2.94Å; I334-V338 WeakPolarHBondContact O-CG2 3.23Å; I334-V338 PolarHBondContact O-N 2.91Å; E335-V338 PolarHBondContact O-N 3.02Å; E335-V338 VanDerWaalsContact O-N 3.16Å; V338-D340 VanDerWaalsContact C-N 3.25Å; V338-D340 PolarHBondContact O-N 3.06Å; V338-I341 WeakPolarHBondContact O-CB 3.28Å; V338-I341 PolarHBondContact O-N 2.87Å; V338-V342 PolarHBondContact O-N 3.27Å
339D56.6Low64.1Low104 Ų10472.7 Ų72.756%0.55638%0.381SS*.Hα-helixtrans-57.3-40.5-177.1-76.8-15.1000111.9E335 I341 V342 L343E335-D339 PolarHBondContact O-N 3.46Å; D339-I341 VanDerWaalsContact C-N 3.3Å; D339-I341 PolarHBondContact O-N 2.91Å; D339-V342 PolarHBondContact O-N 3.41Å; D339-L343 WeakPolarHBondContact O-CG 3.29Å; D339-L343 PolarHBondContact O-N 2.68Å; D339-L343 VanDerWaalsContact O-N 3.11Å
340D52.1Low61.6Low16 Ų1673.7 Ų73.79%0.08638%0.381CS..Hα-helixtrans-66.1-30.4177.7-55.1-7.5000113L63 K67 V95 V338 V342 M344L63-D340 HydrophobicContact CD1-CB 4.16Å; K67-D340 WeakPolarHBondContact CE-OD2 3.5Å; K67-D340 IonicContact NZ-OD1 3.88Å; K67-D340 PolarHBondContact NZ-OD1 2.87Å; K67-D340 IonicContact NZ-OD2 2.88Å; K67-D340 PolarHBondContact NZ-OD2 3.42Å; V95-D340 HydrophobicContact CG2-CB 3.85Å; V95-D340 WeakPolarHBondContact CG2-OD1 3.14Å; V338-D340 VanDerWaalsContact C-N 3.25Å; V338-D340 PolarHBondContact O-N 3.06Å; D340-V342 VanDerWaalsContact C-N 3.34Å; D340-M344 WeakPolarHBondContact O-CG 3.25Å; D340-M344 PolarHBondContact O-N 3.12Å; D340-M344 VanDerWaalsContact O-N 3.08Å
341I53.8Low59.2Low42 Ų4272.9 Ų72.922%0.21539%0.385CS..Hα-helixtrans-67.1-41.7180-66.2175000109.7K60 E337 V338 D339 D345K60-I341 HydrophobicContact CD-CG1 4.39Å; E337-I341 WeakPolarHBondContact O-CD1 3.29Å; E337-I341 WeakPolarHBondContact O-CG1 3.35Å; V338-I341 WeakPolarHBondContact O-CB 3.28Å; V338-I341 PolarHBondContact O-N 2.87Å; D339-I341 VanDerWaalsContact C-N 3.3Å; D339-I341 PolarHBondContact O-N 2.91Å; I341-D345 PolarHBondContact O-N 2.64Å
342V50.7Low56.5Low72 Ų7279.6 Ų79.644%0.43641%0.405SS..Hα-helixtrans-68.8-43.8177.8178.60000110.8V338 D339 D340 M344 D345 Q346V338-V342 PolarHBondContact O-N 3.27Å; D339-V342 PolarHBondContact O-N 3.41Å; D340-V342 VanDerWaalsContact C-N 3.34Å; V342-M344 VanDerWaalsContact C-N 3.35Å; V342-M344 PolarHBondContact O-N 2.87Å; V342-D345 PolarHBondContact O-N 3.07Å; V342-Q346 WeakPolarHBondContact O-CG 3.48Å; V342-Q346 PolarHBondContact O-N 2.77Å; V342-Q346 VanDerWaalsContact O-N 3.13Å
343L51.8Low53.8Low88 Ų8887.4 Ų87.446%0.46144%0.442SS..Hα-helixtrans-60.4-41.3178-71.4168.9000112.5V95 D339 Q346 S347V95-L343 HydrophobicContact CB-CD1 4.35Å; V95-L343 HydrophobicContact CG1-CB 4.47Å; V95-L343 HydrophobicContact CG2-CD1 3.88Å; D339-L343 WeakPolarHBondContact O-CG 3.29Å; D339-L343 PolarHBondContact O-N 2.68Å; D339-L343 VanDerWaalsContact O-N 3.11Å; L343-Q346 PolarHBondContact O-N 2.86Å; L343-S347 PolarHBondContact O-N 2.68Å; L343-S347 VanDerWaalsContact O-N 3.14Å; L343-S347 PolarHBondContact O-OG 2.82Å
344M53Low51.3Low8 Ų893 Ų934%0.03946%0.458CS..Hα-helixtrans-72-27.3178-74.7-166.3-172.100115.1V59 K60 L63 V95 D340 V342 S347 H348V59-M344 HydrophobicContact CB-CE 3.61Å; V59-M344 HydrophobicContact CB-SD 4.38Å; V59-M344 HydrophobicContact CG1-CE 3.36Å; K60-M344 HydrophobicContact CD-SD 4.1Å; K60-M344 WeakPolarHBondContact CE-SD 3.08Å; K60-M344 HydrophobicContact CG-CE 4.16Å; K60-M344 HydrophobicContact CG-SD 3.53Å; K60-M344 VanDerWaalsContact CG-SD 3.53Å; L63-M344 HydrophobicContact CD1-CE 3.29Å; V95-M344 HydrophobicContact CG1-CE 4.03Å; V95-M344 HydrophobicContact CG1-CG 4.15Å; D340-M344 WeakPolarHBondContact O-CG 3.25Å; D340-M344 PolarHBondContact O-N 3.12Å; D340-M344 VanDerWaalsContact O-N 3.08Å; V342-M344 VanDerWaalsContact C-N 3.35Å; V342-M344 PolarHBondContact O-N 2.87Å; M344-S347 WeakPolarHBondContact CA-OG 3.49Å; M344-S347 PolarHBondContact O-OG 3.13Å; M344-H348 PolarHBondContact O-CD2 2.95Å
345D53Low49Very low121 Ų121101.3 Ų101.365%0.64749%0.489SS*.Hα-helixtrans-73.9-39.6175.8-158.647.9000110I341 V342 S347 H348 S349I341-D345 PolarHBondContact O-N 2.64Å; V342-D345 PolarHBondContact O-N 3.07Å; D345-S347 PolarHBondContact O-N 3.21Å; D345-H348 PolarHBondContact O-N 3.01Å; D345-S349 PolarHBondContact O-N 3.12Å
346Q46.9Very low46.9Very low123 Ų123102.7 Ų102.758%0.57550%0.495SS*.Hα-helixtrans-63-41174.9-69.2179.820.700112.8V342 L343 H348 S349V342-Q346 WeakPolarHBondContact O-CG 3.48Å; V342-Q346 PolarHBondContact O-N 2.77Å; V342-Q346 VanDerWaalsContact O-N 3.13Å; L343-Q346 PolarHBondContact O-N 2.86Å; Q346-H348 PolarHBondContact O-N 2.93Å; Q346-H348 VanDerWaalsContact O-N 3.11Å; Q346-S349 WeakPolarHBondContact O-CB 3.42Å; Q346-S349 PolarHBondContact O-N 3.3Å
347S49.5Very low44.8Very low62 Ų62109.5 Ų109.543%0.43453%0.526SS..THydrogen-bonded Turntrans-64.3-14.918056.60000114.9L343 M344 D345L343-S347 PolarHBondContact O-N 2.68Å; L343-S347 VanDerWaalsContact O-N 3.14Å; L343-S347 PolarHBondContact O-OG 2.82Å; M344-S347 WeakPolarHBondContact CA-OG 3.49Å; M344-S347 PolarHBondContact O-OG 3.13Å; D345-S347 PolarHBondContact O-N 3.21Å
348H44.2Very low43.2Very low131 Ų131113.8 Ų113.861%0.60656%0.557SS**THydrogen-bonded Turntrans-105.8-0.7172.5-68.2-59.2000113.7M344 D345 Q346 H350M344-H348 PolarHBondContact O-CD2 2.95Å; D345-H348 PolarHBondContact O-N 3.01Å; Q346-H348 PolarHBondContact O-N 2.93Å; Q346-H348 VanDerWaalsContact O-N 3.11Å; H348-H350 PolarHBondContact O-N 3.41Å; H348-H350 VanDerWaalsContact O-N 3.17Å
349S35.6Very low41.9Very low60 Ų60119.3 Ų119.342%0.4258%0.58SS.*  trans-81.111.4-173-152.50000115.2D345 Q346 T351 W352D345-S349 PolarHBondContact O-N 3.12Å; Q346-S349 WeakPolarHBondContact O-CB 3.42Å; Q346-S349 PolarHBondContact O-N 3.3Å; S349-T351 PolarHBondContact O-N 2.7Å; S349-W352 PolarHBondContact O-N 2.81Å; S349-W352 VanDerWaalsContact O-N 3.14Å
350H36.3Very low40.5Very low166 Ų166123.4 Ų123.477%0.76959%0.593SS**THydrogen-bonded Turntrans-64.913.6171-74.9-63.7000114.9H348H348-H350 PolarHBondContact O-N 3.41Å; H348-H350 VanDerWaalsContact O-N 3.17Å
351T37.3Very low39.4Very low111 Ų111127.9 Ų127.968%0.68163%0.626SS**THydrogen-bonded Turntrans-98.7-11.9172.7-48.30000112.3S349S349-T351 PolarHBondContact O-N 2.7Å
352W34.1Very low38.2Very low185 Ų185135 Ų13570%0.70166%0.658SS**G310 helixtrans-87.7-13.2-165.8-129.1-132000116.7S349 R354S349-W352 PolarHBondContact O-N 2.81Å; S349-W352 VanDerWaalsContact O-N 3.14Å; W352-R354 PolarHBondContact O-N 3.18Å
353E32Very low37.2Very low168 Ų168136.1 Ų136.179%0.78567%0.674SS**G310 helixtrans-64.5-14.7-179.8-64-171.1143.200113.9Y355E353-Y355 VanDerWaalsContact C-N 3.34Å; E353-Y355 PolarHBondContact O-N 3.11Å
354R32.8Very low35.9Very low231 Ų231139.1 Ų139.187%0.87269%0.691SS**G310 helixtrans-84.74-173.5-140179.4-164.3158.110.2116.1W352W352-R354 PolarHBondContact O-N 3.18Å
355Y31.2Very low34.7Very low205 Ų205148.9 Ų148.980%0.80473%0.727SS**G310 helixtrans-1220.4-176.8-106.2-80.3000116.2E353E353-Y355 VanDerWaalsContact C-N 3.34Å; E353-Y355 PolarHBondContact O-N 3.11Å
356H31.5Very low33.4Very low164 Ų164149.9 Ų149.976%0.75973%0.728SS**SBendtrans-105.3-7.6178.2-98.7-71000116S358H356-S358 VanDerWaalsContact C-N 3.29Å; H356-S358 PolarHBondContact O-N 3.19Å; H356-S358 VanDerWaalsContact O-N 3.13Å
357E29.3Very low32.3Very low188 Ų188150 Ų15088%0.87973%0.732SS**SBendtrans-85.558170.1-71.2-155.613500113.1
358S36.6Very low31.2Very low100 Ų100155 Ų15570%0.69975%0.748SS**SBendtrans-164.3115.8161.8-85.50000111.8H356H356-S358 VanDerWaalsContact C-N 3.29Å; H356-S358 PolarHBondContact O-N 3.19Å; H356-S358 VanDerWaalsContact O-N 3.13Å
359Q31.5Very low30.2Very low161 Ų161153.5 Ų153.575%0.75275%0.753SS**SBendtrans71.7125.6-172.7-49.5174.6101.900112.7
360F26.5Very low29.6Very low189 Ų189156.2 Ų156.283%0.82977%0.767SS**  cis-132.9150.46.8-89.2-83.7000112.5
361S30.2Very low29.1Very low111 Ų111155.9 Ų155.978%0.77677%0.765SS**  trans-87.8155.316057.60000111.3
362E28.3Very low28.6Very low192 Ų192157.4 Ų157.490%0.89777%0.769SS**  trans-54.3171.3-168.3-57.9172101.700119.3
363A28.8Very low29.2Very low94 Ų94153.4 Ų153.478%0.77777%0.767SS**  trans78.3142.7165.900000117.1
364D25.5Very low28.9Very low151 Ų151152.5 Ų152.581%0.80777%0.768SS**  cis-142179.921.8-144.5-22.6000114.3
365W26.8Very low28.6Very low213 Ų213150.8 Ų150.881%0.80777%0.77SS**  trans-96.8150-163.6-69.986.3000117.7
366Q25.8Very low28.5Very low143 Ų143146.9 Ų146.967%0.66877%0.767SS**  trans82148.8130.8-98.4174.351.600125.4
367L25.3Very low28.4Very low124 Ų124148.6 Ų148.665%0.64978%0.775SS**  trans92.1125.5144.9-71.1153.6000122.3
368H25.1Very low28.3Very low167 Ų167145.7 Ų145.777%0.77377%0.77SS**  trans51118.1151.4-64.6-44.8000120.5
369S23.6Very low28.2Very low100 Ų100146.6 Ų146.670%0.69977%0.767SS**  79.111062.2170.30000115.2
370T23.6Very low28.2Very low118 Ų118143.6 Ų143.672%0.72476%0.761SS**  trans-177.2146.5130.825.60000113.3
371H26.1Very low28.3Very low159 Ų159145 Ų14574%0.73676%0.761SS**  trans50.1118.4153.4-66-57.7000121.4
372D26.9Very low28Very low142 Ų142142.9 Ų142.976%0.75976%0.757SS**  80.6158.776.7-98.7-30.3000114.3
373P45.1Very low27.9Very low102 Ų102142.2 Ų142.266%0.66276%0.759SS**  -124.8-149.8-119.446.2-33.8000114.8
374D26.3Very low27.9Very low148 Ų148143.3 Ų143.379%0.79176%0.761SS**  trans74.6113.9176.5-64.5-26.3000118.1
375E27.1Very low28.1Very low196 Ų196143.5 Ų143.592%0.91676%0.762SS**  -160.1154.6103.6-113.1-173.3175.300112.3
376V29.3Very low28.1Very low122 Ų122139.1 Ų139.174%0.73976%0.758SS**  trans-125.5127.6-178.8173.90000110.1
377Q28.7Very low28.3Very low201 Ų201138.5 Ų138.594%0.93976%0.764SS**  trans-153.1163.9157.1-121.8164.464.400113.2
378V27.4Very low28.5Very low126 Ų126139.9 Ų139.976%0.76477%0.772SS**  trans-122.7151.4-152.1176.70000112.9
379D34.7Very low28.7Very low120 Ų120141 Ų14164%0.64278%0.778SS**  trans-36150.6168.1176.860000116.5R381D379-R381 PolarHBondContact OD1-N 3.12Å; D379-R381 PolarHBondContact OD2-N 2.81Å
380P32.4Very low29.2Very low97 Ų97145.3 Ų145.363%0.6379%0.787SS**  -144.188.3128.138.3-23000117.4
381R27.7Very low29.5Very low218 Ų218148.7 Ų148.782%0.82380%0.795SS**  trans72.1141.2148.5-51.8162-68.6-163.4-2.9117.9D379D379-R381 PolarHBondContact OD1-N 3.12Å; D379-R381 PolarHBondContact OD2-N 2.81Å
382G24.2Very low30.1Very low67 Ų67146.9 Ų146.969%0.69180%0.795SS**  cis161.8-174.4-3.600000112.8
383L26.3Very low30.7Very low179 Ų179147.8 Ų147.894%0.93779%0.794SS**  trans72.894.9174.9-68.1138.5000118.6
384S27.4Very low30.3Very low117 Ų117147.4 Ų147.482%0.81879%0.79SS**  -164.8114.3119.458.80000111
385D29.9Very low31Very low154 Ų154143.1 Ų143.182%0.82477%0.767SS**  trans-69.3149.6160-58.6-71.9000109.9
386V28Very low31.2Very low122 Ų122139.3 Ų139.374%0.73976%0.759SS**  -166.9142.9100.41610000107.5
387T30.3Very low31.9Very low130 Ų130140.8 Ų140.880%0.79875%0.751SS**  trans-103.4130.1172.249.20000110.4
388D29.3Very low32.7Very low152 Ų152137.1 Ų137.181%0.81373%0.732SS**  trans-121.997167.1-72.6-45000109.4
389E28.7Very low33.1Very low191 Ų191140 Ų14089%0.89373%0.731SS**  trans-112.4114.2157.7-69.2-166.7158.400107E391E389-E391 PolarHBondContact O-N 3.16Å
390E34.5Very low33.1Very low191 Ų191138.6 Ų138.689%0.89374%0.736SS**  trans-77.1113177.6-71.9-170.3129.500110.3V392E390-V392 PolarHBondContact O-N 3.44Å
391E29.4Very low33.3Very low189 Ų189142.3 Ų142.388%0.88375%0.75SS**  trans-64.6104.5172.9-69.6-170.6141.200111E389 Q393E389-E391 PolarHBondContact O-N 3.16Å; E391-Q393 PolarHBondContact O-N 3.04Å
392V39.3Very low33.4Very low121 Ų121135 Ų13573%0.73374%0.743SS**  trans-66.6114.2166.3178.90000108.4E390 V394E390-V392 PolarHBondContact O-N 3.44Å; V392-V394 PolarHBondContact O-N 3.33Å
393Q38.5Very low33.7Very low160 Ų160140.4 Ų140.475%0.74876%0.756SS**  trans-63.398.8175.1-74.3-173.2-15.600111E391E391-Q393 PolarHBondContact O-N 3.04Å
394V36.8Very low33.7Very low94 Ų94142.7 Ų142.757%0.5775%0.752SS**  trans-86.2135.6172.2-179.70000109.7V392 P396V392-V394 PolarHBondContact O-N 3.33Å; V394-P396 VanDerWaalsContact O-CD 3.3Å; V394-P396 WeakPolarHBondContact O-CD 3.45Å
395D40.7Very low33.7Very low59 Ų59144.9 Ų144.932%0.31675%0.749SS.*  trans-61.5118.7-178.1-179.616.6000113M302 R397 K398M302-D395 HydrophobicContact CE-CB 4.3Å; D395-R397 PolarHBondContact O-N 3.2Å; D395-R397 WeakPolarHBondContact OD1-CB 3.48Å; D395-R397 PolarHBondContact OD1-N 3.34Å; D395-R397 IonicContact OD1-NE 3.13Å; D395-K398 WeakPolarHBondContact O-CB 3.47Å; D395-K398 PolarHBondContact O-N 3.08Å
396P32.8Very low33.7Very low115 Ų115145.5 Ų145.575%0.74775%0.745SS**G310 helixtrans-65.3-20.4176.2-21.834.6000114.3V394 K398V394-P396 VanDerWaalsContact O-CD 3.3Å; V394-P396 WeakPolarHBondContact O-CD 3.45Å; P396-K398 PolarHBondContact O-N 3.12Å
397R43.5Very low33.5Very low153 Ų153148.4 Ų148.458%0.57775%0.748SS**G310 helixtrans-72.5-9.1-180-69.8-179.3-88-172.5-11113.6M302 E309 D395 Y399M302-R397 PolarHBondContact O-NH2 3.42Å; E309-R397 IonicContact OE1-NH1 3.99Å; D395-R397 PolarHBondContact O-N 3.2Å; D395-R397 WeakPolarHBondContact OD1-CB 3.48Å; D395-R397 PolarHBondContact OD1-N 3.34Å; D395-R397 IonicContact OD1-NE 3.13Å; R397-Y399 PolarHBondContact O-N 3.05Å; R397-Y399 VanDerWaalsContact O-N 3.11Å
398K44.9Very low33.2Very low124 Ų124153.9 Ų153.954%0.53975%0.754SS.*G310 helixtrans-67.3-6.9-177.2-164.8173.9177.5-174.80115.2D395 P396D395-K398 WeakPolarHBondContact O-CB 3.47Å; D395-K398 PolarHBondContact O-N 3.08Å; P396-K398 PolarHBondContact O-N 3.12Å
399Y36Very low33Very low187 Ų187152 Ų15273%0.73374%0.744SS**  trans-121.661.9-173.4-59-72.9000113R397R397-Y399 PolarHBondContact O-N 3.05Å; R397-Y399 VanDerWaalsContact O-N 3.11Å
400A34.2Very low32.7Very low91 Ų91151.1 Ų151.175%0.75274%0.74SS**  trans-127.513-179.900000115
401D37.1Very low32.5Very low174 Ų174147 Ų14793%0.9373%0.73SS**  trans-121.2130.1165.5-93.2-49.7000109.4
402G28.8Very low32.3Very low65 Ų65142.5 Ų142.567%0.6772%0.719SS**  trans-169.543-162.400000117
403D30.3Very low31.6Very low180 Ų180146.9 Ų146.996%0.96373%0.729SS**  trans-73.4126.4171-99.5-31.4000112
404R27.1Very low30.9Very low227 Ų227145.5 Ų145.586%0.85773%0.726SS**  trans-124.788.4-171.6-71176.364.2-171.83.1113.1
405E28.6Very low30.3Very low163 Ų163152.1 Ų152.176%0.76274%0.743SS**  trans-145.6144.2158.6-70.2-150.2151.500111.2
406K28.3Very low29.6Very low168 Ų168154.4 Ų154.473%0.7376%0.763SS**  cis-165.1143.4-21.2-117.7163.3-168.31650108.1
407F23.7Very low29.9Very low182 Ų182154 Ų15480%0.79876%0.761SS**  trans-34.5141.9177-84.1-105.7000118.1
408R24.5Very low29Very low246 Ų246155.2 Ų155.293%0.92878%0.778SS**  -155.7158.5121.7-114.2174.7-175.2-1781.7112.8
409D24.6Very low28.1Very low111 Ų111156.8 Ų156.859%0.59479%0.791SS**  trans-110.7147.8-150.4-36-99.2000114.5
410E22.6Very low27.7Very low173 Ų173153.8 Ų153.881%0.80880%0.795SS**  trans62.4163.5142-71.1-74.2101.800120.6
411P30.1Very low27.2Very low105 Ų105154.3 Ų154.368%0.68279%0.793SS**  cis-127.2-176.5-13.232.2-11.6000114.9
412S25.5Very low26.6Very low95 Ų95153 Ų15366%0.66478%0.781SS**  trans-54.8166.5177.556.30000119
413F25.4Very low26.3Very low213 Ų213160.4 Ų160.493%0.93479%0.789SS**  trans-153.9131.8137.2-116.1-74.4000112.4
414D22.8Very low25.9Very low131 Ų131156.5 Ų156.570%0.70178%0.775SS**  trans-78.6150.7172.7-63.3-75.1000112.5
415Y25.5Very low25.8Very low233 Ų233157.5 Ų157.591%0.91478%0.779SS**  -174.4159.8104-112.7-86.1000112.6
416S25Very low25.4Very low106 Ų106156.4 Ų156.474%0.74177%0.774SS**  trans-112.2-164.8-174-149.80000111.7
417P38.8Very low25.2Very low107 Ų107155.3 Ų155.370%0.69577%0.772SS**  -117.9166.4-11737-19.5000115.1
418L24.4Very low25.2Very low178 Ų178154.3 Ų154.393%0.93278%0.775SS**  trans-141.4114.7166.5-75.8178.9000113.1
419L27Very low25.2Very low158 Ų158150.3 Ų150.383%0.82777%0.766SS**  trans-83.4159.9155.9-108.3155.7000109.3
420P28.5Very low25.4Very low124 Ų124154.3 Ų154.381%0.80578%0.781SS**  -143.2136.9116.833.2-17.9000116.3
421S22.8Very low25.5Very low102 Ų102153 Ų15371%0.71378%0.775SS**  trans-21.1139154.1-171.50000118.6
422E23.6Very low25.4Very low146 Ų146155.8 Ų155.868%0.68278%0.784SS**  168.1130105.8-89.7-163.8-179.300111.9
423R24Very low25.4Very low221 Ų221157.7 Ų157.783%0.83478%0.78SS**  174146.5100-87.2-162.2176.3160.13.2113.4
424S20.7Very low25.4Very low97 Ų97157.1 Ų157.168%0.67877%0.773SS**  trans-98.8159177.250.40000112.7
425W24.9Very low25.5Very low249 Ų249156.8 Ų156.894%0.94378%0.78SS**  trans-147.1159.8146-84.4109.3000109.4
426Q21.3Very low25.4Very low140 Ų140152.3 Ų152.365%0.65477%0.772SS**  trans-109.5158-163.9-75167.9-99.500113.9
427E23.6Very low25.5Very low144 Ų144154.3 Ų154.367%0.67378%0.779SS**  trans49.3129.5139.5-69.9155.6-132.100120.9
428D23.6Very low24.8Very low162 Ų162157.3 Ų157.387%0.86678%0.784SS**  -154.2152.2108.2-128.3-29.7000112.1
429H25.3Very low24.8Very low162 Ų162154.1 Ų154.175%0.7578%0.775SS**  trans-113.6140.5-177.1-77.9-79.8000112.5
430H28.1Very low24.6Very low195 Ų195150.8 Ų150.890%0.90377%0.765SS**  trans-146.5116.9155.1-91.1-57000113.6
431E25.4Very low24.5Very low144 Ų144152.9 Ų152.967%0.67376%0.764SS**  trans-72.6155.5164.2-63.5-171137.100111.6K433E431-K433 VanDerWaalsContact CD-NZ 3.29Å; E431-K433 IonicContact OE1-NZ 2.99Å; E431-K433 PolarHBondContact OE1-NZ 3.29Å; E431-K433 IonicContact OE2-NZ 3.18Å; E431-K433 PolarHBondContact OE2-NZ 3.38Å
432N27.4Very low24.5Very low165 Ų165153.4 Ų153.488%0.88276%0.763SS**  trans-151.1165.3139.4-129.1-37.4000113.2
433K25.7Very low24.5Very low134 Ų134151.6 Ų151.658%0.58377%0.765SS**  trans-129.7147.9-155.4-86.8176.2172.8108.70115.2E431E431-K433 VanDerWaalsContact CD-NZ 3.29Å; E431-K433 IonicContact OE1-NZ 2.99Å; E431-K433 PolarHBondContact OE1-NZ 3.29Å; E431-K433 IonicContact OE2-NZ 3.18Å; E431-K433 PolarHBondContact OE2-NZ 3.38Å
434Y24.7Very low24.5Very low202 Ų202148 Ų14879%0.79276%0.762SS**  trans62.9128.8151.2-91.7-101000120.9
435C25.5Very low24.7Very low124 Ų124154.9 Ų154.984%0.83878%0.775SS**  -179.4141.397.7-104.50000114.5
436D24.2Very low24.7Very low138 Ų138152.6 Ų152.674%0.73877%0.772SS**  trans-79.2152.5167.4-68.5-77.4000113.2
437V26.1Very low24.9Very low148 Ų148150.3 Ų150.390%0.89778%0.777SS**  trans-144.2139.9143.5-173.20000110.1
438Q23.1Very low25Very low170 Ų170149.6 Ų149.679%0.79478%0.782SS**  trans-108.8177.6-178.8-89.8-173-20.100113.8
439C24.4Very low25.3Very low112 Ų112146.6 Ų146.676%0.75777%0.774SS**  trans76.6129.8165-63.10000116.2
440S23.1Very low26Very low87 Ų87143.8 Ų143.861%0.60877%0.77SS**  cis109.9125.418.470.60000112.6
441H26.1Very low26Very low168 Ų168139.7 Ų139.778%0.77876%0.763SS**  trans173.5102.1134.5-95-60.1000115.2
442T23.4Very low26.3Very low114 Ų114143.8 Ų143.870%0.69977%0.774SS**  34.3121.4126.454.40000122.8
443C24.6Very low26.6Very low108 Ų108143.1 Ų143.173%0.7377%0.77SS**  130.4107.4123.5-81.30000120.3
444N24Very low26.9Very low145 Ų145143.7 Ų143.778%0.77578%0.779SS**  48.8127.3128.8-62.3-24.9000123.3
445Y23.9Very low27.3Very low241 Ų241141.7 Ų141.795%0.94578%0.783SS**  -153.9166.8118.1-113-77.6000111.3
446K24.2Very low27.7Very low201 Ų201142.6 Ų142.687%0.87478%0.778SS**  trans-120.1138.7-168.9-69.2-174.9174.6-172.60115.1
447A26.4Very low28Very low92 Ų92143.5 Ų143.576%0.7678%0.781SS**  trans-161.5130.9145.500000106.9
448V26Very low28.2Very low129 Ų129147.4 Ų147.478%0.78278%0.78SS**  cis70.7116.941.1-176.90000111.2
449S29.2Very low28.4Very low100 Ų100150.3 Ų150.370%0.69978%0.784SS**  cis-174-172.6-3.2-100.90000108.1
450P40.6Very low28.7Very low102 Ų102152 Ų15266%0.66279%0.785SS**  cis-133.4175.6-37.636.9-20.7000113.8
451S28.6Very low28.9Very low109 Ų109153.1 Ų153.176%0.76279%0.793SS**  trans-171137.3140380000114.4L453S451-L453 PolarHBondContact O-N 3.16Å
452Y31.1Very low28.9Very low231 Ų231153.4 Ų153.491%0.90680%0.795SS**SBendtrans62.220.4152.4-129.8-99000123.1
453L33.7Very low29.2Very low150 Ų150154 Ų15479%0.78580%0.798SS**  trans-127.9-1.9167.4-74.5175.8000116.1S451 N455S451-L453 PolarHBondContact O-N 3.16Å; L453-N455 PolarHBondContact O-N 3.1Å
454D32.2Very low29.3Very low146 Ų146155 Ų15578%0.78180%0.796SS**THydrogen-bonded Turntrans-76.825.5-170.5-75.7-42.3000116.2
455N33.5Very low29.5Very low161 Ų161156.3 Ų156.386%0.86180%0.797SS**THydrogen-bonded Turntrans-108.9-2176.8-88.1-28.2000114.9L453 I457L453-N455 PolarHBondContact O-N 3.1Å; N455-I457 PolarHBondContact O-N 3.18Å
456L34.2Very low29.6Very low143 Ų143155.4 Ų155.475%0.74979%0.794SS**SBendtrans-86.8101.5169.9-87.2161.2000110.4W458L456-W458 PolarHBondContact O-N 3.23Å
457I30.1Very low29.8Very low156 Ų156155.9 Ų155.980%0.879%0.792SS**  trans-69.198.4-177.4-58.7174.8000110.3N455N455-I457 PolarHBondContact O-N 3.18Å
458W29.8Very low30Very low230 Ų230159.7 Ų159.787%0.87179%0.794SS**  trans-70.2136.4165.5-79.678.9000111.1L456L456-W458 PolarHBondContact O-N 3.23Å
459R27.8Very low30.4Very low231 Ų231158.3 Ų158.387%0.87279%0.787SS**  trans-123.8116.1158.3-84.2-174.9170.7162.5-0108.2S461R459-S461 PolarHBondContact O-N 3.37Å
460D29.8Very low30.2Very low148 Ų148163.4 Ų163.479%0.79180%0.797SS**  trans-61.8129.7169.5-61.4-59.2000110.8
461S27Very low29.9Very low111 Ų111163.4 Ų163.478%0.77679%0.791SS**  176.5156.9113.445.80000113.9R459R459-S461 PolarHBondContact O-N 3.37Å
462E26.6Very low30.2Very low174 Ų174164.7 Ų164.781%0.81379%0.788SS**  trans70.1101.9168.6-55.5-161.9161.900118
463V30.8Very low30.8Very low127 Ų127155.9 Ų155.977%0.7776%0.756SS**  trans-69.4124.1168.6177.30000109.6
464N25.1Very low31Very low129 Ų129153.1 Ų153.169%0.6974%0.742SS**  trans-115.1113.9167.6-79.6-74.4000109.9
465H29.8Very low31.6Very low171 Ų171148 Ų14879%0.79271%0.714SS**  trans-81.7125.5162.7-62.7-32.2000108.7
466Y26.1Very low32Very low223 Ų223143.4 Ų143.488%0.87570%0.695SS**  trans-138.3151.4162.9-99.2-79.2000111.4
467Y27.7Very low32.2Very low211 Ų211141 Ų14183%0.82768%0.682SS**  trans-108124.4-166.6-134.8-97.9000109.8
468E29.5Very low32.7Very low172 Ų172138.2 Ų138.280%0.80466%0.662SS**  trans57.7156.6160.5-70.9-169.414800120.7
469P34.5Very low33.1Very low100 Ų100135.1 Ų135.165%0.64966%0.655SS**  trans-107.7154.7-152.239-33000115.5L471P469-L471 HydrophobicContact CB-CD1 4.21Å
470K26.3Very low33.8Very low206 Ų206129.2 Ų129.290%0.89664%0.637SS**  trans-141.597.7153.2-74-166.5176.4-172.30109.7I472K470-I472 PolarHBondContact O-N 3.41Å
471L33Very low34.2Very low102 Ų102128 Ų12853%0.53463%0.627SS.*  trans-94.992.2169.9-73.6105.7000111.2E190 P469E190-L471 WeakPolarHBondContact OE1-CD2 3.47Å; E190-L471 WeakPolarHBondContact OE2-CD1 3.29Å; P469-L471 HydrophobicContact CB-CD1 4.21Å
472I35.4Very low34.8Very low136 Ų136126.8 Ų126.870%0.69761%0.609SS**  trans-109.7141.7134-63.9168.1000104.2K470 D474K470-I472 PolarHBondContact O-N 3.41Å; I472-D474 HydrophobicContact CG2-CB 4.49Å; I472-D474 PolarHBondContact O-N 2.88Å
473I44.7Very low35.4Very low46 Ų46121.9 Ų121.924%0.23659%0.594CS.*  trans-73.776.1168.7-61.2170.6000107.1V262 L475V262-I473 CarbonylContact C-O 3.49Å; V262-I473 HydrophobicContact CG1-CB 3.55Å; V262-I473 HydrophobicContact CG1-CG2 3.99Å; V262-I473 WeakPolarHBondContact CG1-O 3.26Å; I473-L475 HydrophobicContact CG2-CD1 3.8Å; I473-L475 HydrophobicContact CG2-CG 3.87Å; I473-L475 PolarHBondContact O-N 2.98Å
474D37.9Very low35.8Very low93 Ų93121.8 Ų121.850%0.49758%0.583SS.*  trans-88.486.1175.4178.114.3000109.9I472 S476I472-D474 HydrophobicContact CG2-CB 4.49Å; I472-D474 PolarHBondContact O-N 2.88Å; D474-S476 VanDerWaalsContact C-N 3.32Å; D474-S476 WeakPolarHBondContact OD1-CB 3.34Å; D474-S476 PolarHBondContact OD1-N 2.73Å; D474-S476 VanDerWaalsContact OD1-N 3.1Å; D474-S476 PolarHBondContact OD1-OG 2.77Å
475L43.6Very low36.5Very low37 Ų37120.1 Ų120.119%0.19457%0.571CS.*  trans-89.68.5175.5-68.9173.9000113.4L238 I263 I473 N477 W478L238-L475 HydrophobicContact CD1-CD1 3.92Å; L238-L475 HydrophobicContact CD2-CD1 4.07Å; I263-L475 HydrophobicContact CG2-CD1 3.77Å; I473-L475 HydrophobicContact CG2-CD1 3.8Å; I473-L475 HydrophobicContact CG2-CG 3.87Å; I473-L475 PolarHBondContact O-N 2.98Å; L475-N477 PolarHBondContact O-N 2.94Å; L475-W478 HydrophobicContact CD2-CB 4.45Å; L475-W478 HydrophobicContact CD2-CD2 4.49Å; L475-W478 HydrophobicContact CD2-CE3 4.36Å; L475-W478 WeakPolarHBondContact O-CB 3.4Å; L475-W478 PolarHBondContact O-N 3.49Å; L475-W478 VanDerWaalsContact O-N 3.11Å
476S41.8Very low37Very low65 Ų65118.4 Ų118.446%0.45556%0.561SS.*THydrogen-bonded Turntrans-54.8-38.8-179.566.80000112.4D474D474-S476 VanDerWaalsContact C-N 3.32Å; D474-S476 WeakPolarHBondContact OD1-CB 3.34Å; D474-S476 PolarHBondContact OD1-N 2.73Å; D474-S476 VanDerWaalsContact OD1-N 3.1Å; D474-S476 PolarHBondContact OD1-OG 2.77Å
477N38.2Very low37.6Very low92 Ų92110.8 Ų110.849%0.49254%0.544SS..THydrogen-bonded Turntrans-83.2-8.3-176.5-67.7-64.9000114.6L475 K479 E480 Q481L475-N477 PolarHBondContact O-N 2.94Å; N477-K479 PolarHBondContact O-N 3.31Å; N477-E480 WeakPolarHBondContact O-CB 3.36Å; N477-E480 PolarHBondContact O-N 3.5Å; N477-Q481 PolarHBondContact O-N 2.86Å
478W41Very low38.2Very low99 Ų99106 Ų10638%0.37553%0.533SS..Hα-helixtrans-62.8-29.3-175-168.329.5000112.8V265 F266 L475 E480 Q481 Q482V265-W478 HydrophobicContact CG1-CZ3 4.45Å; V265-W478 HydrophobicContact CG2-CE3 4.23Å; F266-W478 AromaticContact CE2-CZ3 3.99Å; F266-W478 HydrophobicContact CE2-CZ3 3.99Å; F266-W478 HydrophobicContact CZ-CH2 4.32Å; F266-W478 AromaticContact CZ-CZ3 3.88Å; F266-W478 HydrophobicContact CZ-CZ3 3.88Å; L475-W478 HydrophobicContact CD2-CB 4.45Å; L475-W478 HydrophobicContact CD2-CD2 4.49Å; L475-W478 HydrophobicContact CD2-CE3 4.36Å; L475-W478 WeakPolarHBondContact O-CB 3.4Å; L475-W478 PolarHBondContact O-N 3.49Å; L475-W478 VanDerWaalsContact O-N 3.11Å; W478-E480 VanDerWaalsContact C-N 3.32Å; W478-E480 PolarHBondContact O-N 3.43Å; W478-Q481 PolarHBondContact O-N 3.48Å; W478-Q482 PolarHBondContact O-N 3.39Å
479K39.4Very low38.7Very low165 Ų165107.1 Ų107.172%0.71753%0.53SS*.Hα-helixtrans-63.8-30.4172.5-100.5172.6178.9164.10113.5N477 S483N477-K479 PolarHBondContact O-N 3.31Å; K479-S483 PolarHBondContact O-N 3.23Å
480E42.1Very low38.9Very low107 Ų107111.3 Ų111.350%0.554%0.538SS..Hα-helixtrans-74.6-36.2175.3-75.9-135.214900112.8N477 W478 Q482 S483 K484N477-E480 WeakPolarHBondContact O-CB 3.36Å; N477-E480 PolarHBondContact O-N 3.5Å; W478-E480 VanDerWaalsContact C-N 3.32Å; W478-E480 PolarHBondContact O-N 3.43Å; E480-Q482 VanDerWaalsContact C-N 3.33Å; E480-S483 PolarHBondContact O-N 2.71Å; E480-S483 PolarHBondContact O-OG 2.95Å; E480-K484 PolarHBondContact O-N 2.78Å; E480-K484 IonicContact OE2-NZ 3.79Å; E480-K484 PolarHBondContact OE2-NZ 3.35Å
481Q38.8Very low39.5Very low122 Ų122105 Ų10557%0.5753%0.525SS*.Hα-helixtrans-65.5-41.2176-72.1168.1-37.800110.4N477 W478 S483 K484 E485N477-Q481 PolarHBondContact O-N 2.86Å; W478-Q481 PolarHBondContact O-N 3.48Å; Q481-S483 VanDerWaalsContact C-N 3.26Å; Q481-S483 PolarHBondContact O-N 3.32Å; Q481-K484 PolarHBondContact O-N 2.75Å; Q481-E485 PolarHBondContact O-N 2.77Å
482Q39.3Very low39.8Very low86 Ų86109.6 Ų109.640%0.40254%0.54SS..Hα-helixtrans-60.4-28.6171.7-85.5-74.7-36.500114.2W478 E480 K486W478-Q482 PolarHBondContact O-N 3.39Å; E480-Q482 VanDerWaalsContact C-N 3.33Å; Q482-K486 VanDerWaalsContact O-CD 3.28Å; Q482-K486 WeakPolarHBondContact O-CD 3.35Å; Q482-K486 VanDerWaalsContact O-CG 3.29Å; Q482-K486 WeakPolarHBondContact O-CG 3.49Å; Q482-K486 VanDerWaalsContact OE1-CE 3.23Å
483S37.7Very low40.2Very low71 Ų71108.3 Ų108.350%0.49754%0.543SS..Hα-helixtrans-83.6-39.6176.473.30000112.2K479 E480 Q481 K486 A487K479-S483 PolarHBondContact O-N 3.23Å; E480-S483 PolarHBondContact O-N 2.71Å; E480-S483 PolarHBondContact O-OG 2.95Å; Q481-S483 VanDerWaalsContact C-N 3.26Å; Q481-S483 PolarHBondContact O-N 3.32Å; S483-K486 PolarHBondContact O-N 3.45Å; S483-A487 PolarHBondContact O-N 3.41Å; S483-A487 VanDerWaalsContact O-N 3.16Å
484K39.5Very low39.9Very low125 Ų125116 Ų11654%0.54358%0.575SS.*Hα-helixtrans-60.7-47.4172.4-79.4166.4177.4143.90112E480 Q481 K486 A487 D488E480-K484 PolarHBondContact O-N 2.78Å; E480-K484 IonicContact OE2-NZ 3.79Å; E480-K484 PolarHBondContact OE2-NZ 3.35Å; Q481-K484 PolarHBondContact O-N 2.75Å; K484-K486 VanDerWaalsContact C-N 3.29Å; K484-K486 PolarHBondContact O-N 3.12Å; K484-A487 WeakPolarHBondContact O-CA 3.49Å; K484-A487 WeakPolarHBondContact O-CB 3.25Å; K484-A487 PolarHBondContact O-N 3.11Å; K484-D488 PolarHBondContact O-N 3.34Å
485E41Very low40.1Very low93 Ų93118 Ų11844%0.43559%0.594SS.*Hα-helixtrans-59.8-38176.1-80.1-157.1-171.600113.2Q481 A487 D488 R489Q481-E485 PolarHBondContact O-N 2.77Å; E485-A487 PolarHBondContact O-N 2.78Å; E485-D488 PolarHBondContact O-N 2.92Å; E485-R489 WeakPolarHBondContact O-CB 3.45Å; E485-R489 VanDerWaalsContact O-CG 3.24Å; E485-R489 WeakPolarHBondContact O-CG 3.36Å; E485-R489 PolarHBondContact O-N 3.17Å; E485-R489 IonicContact OE2-CZ 3.45Å; E485-R489 IonicContact OE2-NE 2.65Å; E485-R489 PolarHBondContact OE2-NE 3.25Å; E485-R489 IonicContact OE2-NH2 3.04Å; E485-R489 PolarHBondContact OE2-NH2 3.34Å
486K39.9Very low40.1Very low136 Ų136124.3 Ų124.359%0.59162%0.623SS**Hα-helixtrans-71.7-18.4177.8-73170.3-169.2155.40112.7Q482 S483 K484Q482-K486 VanDerWaalsContact O-CD 3.28Å; Q482-K486 WeakPolarHBondContact O-CD 3.35Å; Q482-K486 VanDerWaalsContact O-CG 3.29Å; Q482-K486 WeakPolarHBondContact O-CG 3.49Å; Q482-K486 VanDerWaalsContact OE1-CE 3.23Å; S483-K486 PolarHBondContact O-N 3.45Å; K484-K486 VanDerWaalsContact C-N 3.29Å; K484-K486 PolarHBondContact O-N 3.12Å
487A38.4Very low40Very low62 Ų62130.2 Ų130.251%0.51264%0.64SS.*Hα-helixtrans-78.9-50.1166.900000111.7S483 K484 E485 R489 K490S483-A487 PolarHBondContact O-N 3.41Å; S483-A487 VanDerWaalsContact O-N 3.16Å; K484-A487 WeakPolarHBondContact O-CA 3.49Å; K484-A487 WeakPolarHBondContact O-CB 3.25Å; K484-A487 PolarHBondContact O-N 3.11Å; E485-A487 PolarHBondContact O-N 2.78Å; A487-R489 PolarHBondContact O-N 3.31Å; A487-K490 VanDerWaalsContact O-CB 3.25Å; A487-K490 WeakPolarHBondContact O-CB 3.42Å; A487-K490 PolarHBondContact O-N 3.33Å
488D40Very low40.1Very low112 Ų112132.9 Ų132.960%0.59965%0.654SS**Hα-helixtrans-66.8-34.3-177-92.2-44000113.8K484 E485 K490 A491K484-D488 PolarHBondContact O-N 3.34Å; E485-D488 PolarHBondContact O-N 2.92Å; D488-K490 PolarHBondContact O-N 3.15Å; D488-A491 PolarHBondContact O-N 2.88Å
489R41Very low40.2Very low195 Ų195130.6 Ų130.674%0.73666%0.662SS**THydrogen-bonded Turntrans-61.6-10.7171.5-70.2176.4-166.4-138.57.4113.1E485 A487E485-R489 WeakPolarHBondContact O-CB 3.45Å; E485-R489 VanDerWaalsContact O-CG 3.24Å; E485-R489 WeakPolarHBondContact O-CG 3.36Å; E485-R489 PolarHBondContact O-N 3.17Å; E485-R489 IonicContact OE2-CZ 3.45Å; E485-R489 IonicContact OE2-NE 2.65Å; E485-R489 PolarHBondContact OE2-NE 3.25Å; E485-R489 IonicContact OE2-NH2 3.04Å; E485-R489 PolarHBondContact OE2-NH2 3.34Å; A487-R489 PolarHBondContact O-N 3.31Å
490K36.9Very low40.2Very low187 Ų187128.1 Ų128.181%0.81366%0.656SS**THydrogen-bonded Turntrans-92.8-11172.5-119.9172.2-175.1173.30114.2A487 D488A487-K490 VanDerWaalsContact O-CB 3.25Å; A487-K490 WeakPolarHBondContact O-CB 3.42Å; A487-K490 PolarHBondContact O-N 3.33Å; D488-K490 PolarHBondContact O-N 3.15Å
491A40.4Very low40.2Very low75 Ų75127.1 Ų127.162%0.6266%0.657SS**THydrogen-bonded Turntrans-96.2-31.4-176.900000114.2D488 S493D488-A491 PolarHBondContact O-N 2.88Å; A491-S493 PolarHBondContact O-N 2.8Å
492K37.7Very low40.3Very low198 Ų198129.2 Ų129.286%0.86166%0.664SS**  trans-96.357.4-174.7-70.1-179.2179.7171.60114.1
493S45.8Very low40.3Very low109 Ų109127.8 Ų127.876%0.76267%0.667SS**  trans-117.767.3178.6-172.60000113.3A491A491-S493 PolarHBondContact O-N 2.8Å
494K37.8Very low40.4Very low208 Ų208130 Ų13090%0.90467%0.67SS**SBendtrans-158.124.9169.6-133175.2-176.41780119.5
495C41.4Very low40.8Very low133 Ų133128.9 Ų128.990%0.89967%0.668SS**SBendtrans-140.231.4175.2-148.40000116.2
496E44Very low40.8Very low170 Ų170127.4 Ų127.479%0.79467%0.672SS**  trans-139.119.8-171.4-143.6161.2-129.400116.3
497K38.7Very low40.9Very low189 Ų189126.2 Ų126.282%0.82267%0.672SS**THydrogen-bonded Turntrans-92.9-3.6178.5-80.8-168.5170.7-174.70116.3
498N41.1Very low40.9Very low148 Ų148130.3 Ų130.379%0.79168%0.678SS**THydrogen-bonded Turntrans-103.3-10.6-178.9-68.5-0.2000114.2
499G42.8Very low41Very low51 Ų51131.8 Ų131.853%0.52668%0.681SS.*THydrogen-bonded Turntrans-79.1-55.9177.600000113.1V501 K502G499-V501 PolarHBondContact O-N 3.33Å; G499-V501 VanDerWaalsContact O-N 3.12Å; G499-K502 PolarHBondContact O-N 3.28Å; G499-K502 VanDerWaalsContact O-N 3.08Å
500L40.1Very low40.9Very low113 Ų113125.8 Ų125.859%0.59267%0.673SS**Hα-helixtrans-52.2-39.5-174.6-107.678.6000113.9K502 A503 Q504L500-K502 VanDerWaalsContact C-N 3.28Å; L500-K502 PolarHBondContact O-N 2.81Å; L500-A503 PolarHBondContact O-N 3.23Å; L500-Q504 WeakPolarHBondContact O-CG 3.42Å; L500-Q504 PolarHBondContact O-N 2.9Å
501V42.3Very low41Very low86 Ų86124 Ų12452%0.52167%0.668SS.*Hα-helixtrans-63.1-33.2-176.2-176.30000112G499 I505G499-V501 PolarHBondContact O-N 3.33Å; G499-V501 VanDerWaalsContact O-N 3.12Å; V501-I505 HydrophobicContact CG1-CD1 4.41Å; V501-I505 WeakPolarHBondContact O-CD1 3.29Å; V501-I505 WeakPolarHBondContact O-CG1 3.29Å; V501-I505 PolarHBondContact O-N 3.24Å
502K40.3Very low40.7Very low167 Ų167129 Ų12973%0.72668%0.676SS**Hα-helixtrans-75.8-40.3176.7-72.4-169.1173.4-172.40112.3G499 L500 Q504 I505 A506G499-K502 PolarHBondContact O-N 3.28Å; G499-K502 VanDerWaalsContact O-N 3.08Å; L500-K502 VanDerWaalsContact C-N 3.28Å; L500-K502 PolarHBondContact O-N 2.81Å; K502-Q504 VanDerWaalsContact C-N 3.35Å; K502-Q504 PolarHBondContact O-N 3.34Å; K502-I505 PolarHBondContact O-N 3.16Å; K502-A506 PolarHBondContact O-N 2.8Å
503A40.1Very low40.7Very low56 Ų56124.8 Ų124.846%0.46367%0.667SS.*Hα-helixtrans-62.6-40.8177.100000112.2L500 I505 A506 L507L500-A503 PolarHBondContact O-N 3.23Å; A503-I505 VanDerWaalsContact C-N 3.3Å; A503-I505 PolarHBondContact O-N 3Å; A503-A506 PolarHBondContact O-N 3.23Å; A503-L507 PolarHBondContact O-N 2.84Å; A503-L507 VanDerWaalsContact O-N 3.15Å
504Q40Very low40.1Very low118 Ų118129 Ų12955%0.55167%0.674SS**Hα-helixtrans-72.8-17.1179.8-71.5179.1-26.300114.4L500 K502L500-Q504 WeakPolarHBondContact O-CG 3.42Å; L500-Q504 PolarHBondContact O-N 2.9Å; K502-Q504 VanDerWaalsContact C-N 3.35Å; K502-Q504 PolarHBondContact O-N 3.34Å
505I46.8Very low39.6Very low100 Ų100124.6 Ų124.651%0.51367%0.67SS.*Hα-helixtrans-79.6-47.7170.4-68.8166.9000109.7V501 K502 A503 L507 K508 E509V501-I505 HydrophobicContact CG1-CD1 4.41Å; V501-I505 WeakPolarHBondContact O-CD1 3.29Å; V501-I505 WeakPolarHBondContact O-CG1 3.29Å; V501-I505 PolarHBondContact O-N 3.24Å; K502-I505 PolarHBondContact O-N 3.16Å; A503-I505 VanDerWaalsContact C-N 3.3Å; A503-I505 PolarHBondContact O-N 3Å; I505-L507 VanDerWaalsContact C-N 3.33Å; I505-L507 PolarHBondContact O-N 2.7Å; I505-K508 PolarHBondContact O-N 2.83Å; I505-K508 VanDerWaalsContact O-N 3.09Å; I505-E509 PolarHBondContact O-N 2.83Å
506A42Very low39.6Very low62 Ų62123.8 Ų123.851%0.51266%0.663SS.*Hα-helixtrans-58.5-41.3179.500000113K502 A503 K508 E509 A510K502-A506 PolarHBondContact O-N 2.8Å; A503-A506 PolarHBondContact O-N 3.23Å; A506-K508 PolarHBondContact O-N 3.48Å; A506-E509 PolarHBondContact O-N 2.55Å; A506-A510 PolarHBondContact O-N 2.9Å
507L41.1Very low38.8Very low112 Ų112120.8 Ų120.859%0.58667%0.667SS**Hα-helixtrans-60.2-41.7174.6-85158.3000112.6A503 I505 E509 A510 E511A503-L507 PolarHBondContact O-N 2.84Å; A503-L507 VanDerWaalsContact O-N 3.15Å; I505-L507 VanDerWaalsContact C-N 3.33Å; I505-L507 PolarHBondContact O-N 2.7Å; L507-E509 VanDerWaalsContact C-N 3.29Å; L507-E509 PolarHBondContact O-N 3.1Å; L507-A510 PolarHBondContact O-N 2.85Å; L507-E511 WeakPolarHBondContact O-CG 3.22Å; L507-E511 PolarHBondContact O-N 2.98Å; L507-E511 VanDerWaalsContact O-N 3.17Å
508K38.9Very low38.5Very low148 Ų148119.9 Ų119.964%0.64367%0.666SS**Hα-helixtrans-74-14.8-179.8-79.4-171171.2-174.50115.1I505 A506I505-K508 PolarHBondContact O-N 2.83Å; I505-K508 VanDerWaalsContact O-N 3.09Å; A506-K508 PolarHBondContact O-N 3.48Å
509E42.3Very low38.1Very low142 Ų142121.4 Ų121.466%0.66467%0.665SS**Hα-helixtrans-86.8-32.2170.4-67.5-172.1131.800111.4I505 A506 L507I505-E509 PolarHBondContact O-N 2.83Å; A506-E509 PolarHBondContact O-N 2.55Å; L507-E509 VanDerWaalsContact C-N 3.29Å; L507-E509 PolarHBondContact O-N 3.1Å
510A39.4Very low37.7Very low70 Ų70126.6 Ų126.658%0.57968%0.681SS**Hα-helixtrans-65.9-39.2172.700000113.1A506 L507 K512A506-A510 PolarHBondContact O-N 2.9Å; L507-A510 PolarHBondContact O-N 2.85Å; A510-K512 PolarHBondContact O-N 3.38Å
511E37.7Very low37.5Very low150 Ų150125.5 Ų125.570%0.70168%0.683SS**THydrogen-bonded Turntrans-65.2-5.6-179.8-72.7174.6156.400114.9L507L507-E511 WeakPolarHBondContact O-CG 3.22Å; L507-E511 PolarHBondContact O-N 2.98Å; L507-E511 VanDerWaalsContact O-N 3.17Å
512K34.6Very low37.1Very low179 Ų179130 Ų13078%0.77870%0.698SS**THydrogen-bonded Turntrans-97.6-0.4-173.9-94.6-175.6174.2-179.20116.4A510A510-K512 PolarHBondContact O-N 3.38Å
513T38.2Very low36.7Very low109 Ų109130.4 Ų130.467%0.66970%0.703SS**SBendtrans-136.678.9-177.141.70000113.5
514Q33.2Very low36.6Very low198 Ų198134.9 Ų134.993%0.92571%0.714SS**  trans-176.1131.2135.5-102.91623300113.4
515S27Very low36.3Very low115 Ų115136.6 Ų136.680%0.80472%0.72SS**  trans-175.4161.9154.662.90000109.1
516P41Very low35.6Very low117 Ų117137.9 Ų137.976%0.7672%0.723SS**  cis-125.8161-32.936.6-23.6000112.8
517A27.7Very low35.1Very low106 Ų106141.5 Ų141.588%0.87673%0.73SS**  trans-150.7131155.300000108.6
518E32.8Very low34.8Very low171 Ų171139.1 Ų139.180%0.79973%0.726SS**  trans-114.9168-178-62.9-177.8142.400111.3
519K31.6Very low34.6Very low179 Ų179137.9 Ų137.978%0.77872%0.722SS**  trans79.295.9166.6-52.4180-176.3-177.40116.1
520D35.7Very low34Very low161 Ų161140.8 Ų140.886%0.86173%0.727SS**  179.597.7104.6-85.7-15.5000109.5
521S34.7Very low33.7Very low90 Ų90144.8 Ų144.863%0.62973%0.734SS**  trans-160.623.2-177.957.20000116.7
522E34.5Very low33.5Very low181 Ų181146.1 Ų146.185%0.84674%0.74SS**SBendtrans-97-2.5176.6-71.9-167.613400114.9
523Q32.3Very low33.5Very low175 Ų175144.6 Ų144.682%0.81874%0.74SS**SBendtrans-94.7-28.6179.1-72.3-171.9-35.300114.7
524E36.1Very low33.6Very low150 Ų150147.6 Ų147.670%0.70175%0.747SS**SBendtrans-73.3-32.5-175.7-64.7-176133.100113.2H526 Q527 A528E524-H526 PolarHBondContact O-N 3.49Å; E524-Q527 PolarHBondContact O-N 3.27Å; E524-Q527 VanDerWaalsContact O-N 3.14Å; E524-A528 PolarHBondContact O-N 2.95Å
525K34.9Very low34.1Very low154 Ų154141.5 Ų141.567%0.6774%0.737SS**Hα-helixtrans-59.9-42-179.7-78.9-170.7172.1-175.70113.2Q527 A528 E529K525-Q527 PolarHBondContact O-N 3.49Å; K525-A528 PolarHBondContact O-N 2.88Å; K525-E529 WeakPolarHBondContact O-CG 3.44Å; K525-E529 PolarHBondContact O-N 2.94Å; K525-E529 VanDerWaalsContact O-N 3.11Å
526H32.5Very low35.7Very low127 Ų127139.5 Ų139.559%0.58871%0.714SS**Hα-helixtrans-77.3-3.1179.9-74.5-33000114.6E524 E529 R530E524-H526 PolarHBondContact O-N 3.49Å; H526-E529 IonicContact CE1-OE2 3.53Å; H526-E529 IonicContact CG-OE2 4Å; H526-E529 IonicContact ND1-OE2 2.84Å; H526-E529 PolarHBondContact ND1-OE2 3.27Å; H526-R530 WeakPolarHBondContact O-CD 3.21Å; H526-R530 WeakPolarHBondContact O-CG 3.16Å
527Q31.7Very low37.2Very low138 Ų138138.5 Ų138.565%0.64570%0.702SS**Hα-helixtrans-90-41.4163.2-80.5-175.2-45.900111.7E524 K525 E529 R530 Q531E524-Q527 PolarHBondContact O-N 3.27Å; E524-Q527 VanDerWaalsContact O-N 3.14Å; K525-Q527 PolarHBondContact O-N 3.49Å; Q527-E529 PolarHBondContact O-N 3.19Å; Q527-R530 PolarHBondContact O-N 2.93Å; Q527-R530 VanDerWaalsContact O-N 3.11Å; Q527-Q531 PolarHBondContact O-N 2.7Å
528A34.1Very low39.3Very low61 Ų61133.8 Ų133.850%0.50466%0.662SS.*Hα-helixtrans-58.1-46.7175.900000112.3E524 K525 R530 Q531 Q532E524-A528 PolarHBondContact O-N 2.95Å; K525-A528 PolarHBondContact O-N 2.88Å; A528-R530 PolarHBondContact O-N 3.29Å; A528-R530 VanDerWaalsContact O-N 3.1Å; A528-Q531 PolarHBondContact O-N 3.45Å; A528-Q532 PolarHBondContact O-N 2.92Å
529E34.5Very low41.3Very low123 Ų123129.7 Ų129.758%0.57565%0.646SS**Hα-helixtrans-64.2-13.6178.1-69171.7158.100114.1K525 H526 Q527K525-E529 WeakPolarHBondContact O-CG 3.44Å; K525-E529 PolarHBondContact O-N 2.94Å; K525-E529 VanDerWaalsContact O-N 3.11Å; H526-E529 IonicContact CE1-OE2 3.53Å; H526-E529 IonicContact CG-OE2 4Å; H526-E529 IonicContact ND1-OE2 2.84Å; H526-E529 PolarHBondContact ND1-OE2 3.27Å; Q527-E529 PolarHBondContact O-N 3.19Å
530R30Very low43.4Very low203 Ų203124 Ų12477%0.76663%0.628SS**Hα-helixtrans-98-19178.1-73-176.2176.6-165.9-0.7114.2H526 Q527 A528H526-R530 WeakPolarHBondContact O-CD 3.21Å; H526-R530 WeakPolarHBondContact O-CG 3.16Å; Q527-R530 PolarHBondContact O-N 2.93Å; Q527-R530 VanDerWaalsContact O-N 3.11Å; A528-R530 PolarHBondContact O-N 3.29Å; A528-R530 VanDerWaalsContact O-N 3.1Å
531Q32.3Very low45.3Very low154 Ų154117.9 Ų117.972%0.7259%0.594SS**Hα-helixtrans-88.8-22.3177.7-71.4-177.9-25.900112.6Q527 A528 N533Q527-Q531 PolarHBondContact O-N 2.7Å; A528-Q531 PolarHBondContact O-N 3.45Å; Q531-N533 PolarHBondContact O-N 3.3Å
532Q35.1Very low47Very low178 Ų178114.2 Ų114.283%0.83257%0.568SS**THydrogen-bonded Turntrans-78.17.6178.3-149.5171.22400114.4A528A528-Q532 PolarHBondContact O-N 2.92Å
533N33.1Very low48.8Very low146 Ų146108.5 Ų108.578%0.78155%0.551SS**THydrogen-bonded Turntrans-126.715.2-174.9-143.736.7000113.6Q531Q531-N533 PolarHBondContact O-N 3.3Å
534Q40.2Very low50.3Low172 Ų172102.9 Ų102.980%0.80453%0.531SS*.  trans-88.7102.8158-73.2-174.4-35.400107.2
535G44.1Very low51.3Low71 Ų7196.5 Ų96.573%0.73250%0.503SS*.  trans-62.5148.8172.100000110.7D537G535-D537 PolarHBondContact O-N 3Å; G535-D537 VanDerWaalsContact O-N 3.16Å
536F61Low52.5Low73 Ų7392 Ų9232%0.3249%0.485SS..  trans-65113.9173172.3-119.6000109.5R121 F538 F541R121-F536 HydrophobicContact CB-CD1 3.72Å; R121-F536 HydrophobicContact CB-CD2 4.25Å; R121-F536 HydrophobicContact CB-CE1 3.53Å; R121-F536 HydrophobicContact CB-CE2 4.1Å; R121-F536 HydrophobicContact CB-CG 4.08Å; R121-F536 HydrophobicContact CB-CZ 3.75Å; R121-F536 HydrophobicContact CG-CE1 4.48Å; R121-F536 HydrophobicContact CG-CZ 4.36Å; R121-F536 VanDerWaalsContact O-CB 3.23Å; R121-F536 WeakPolarHBondContact O-CB 3.15Å; R121-F536 WeakPolarHBondContact O-CG 3.42Å; F536-F538 HydrophobicContact CD1-CB 4.5Å; F536-F538 HydrophobicContact CE1-CB 4.18Å; F536-F538 HydrophobicContact CE1-CD2 4.01Å; F536-F538 PolarHBondContact O-N 3.02Å; F536-F538 VanDerWaalsContact O-N 3.16Å; F536-F541 HydrophobicContact CE2-CB 3.84Å; F536-F541 HydrophobicContact CE2-CG 4.31Å; F536-F541 HydrophobicContact CZ-CB 3.64Å; F536-F541 AromaticContact CZ-CD1 3.96Å; F536-F541 HydrophobicContact CZ-CD1 3.96Å; F536-F541 AromaticContact CZ-CG 3.84Å; F536-F541 HydrophobicContact CZ-CG 3.84Å
537D72.8Confident53.7Low95 Ų9593.1 Ų93.151%0.50849%0.488SS..  trans-81.690.8176.7-175.1-13.8000108.7G535 D539 S540 F541G535-D537 PolarHBondContact O-N 3Å; G535-D537 VanDerWaalsContact O-N 3.16Å; D537-D539 VanDerWaalsContact C-N 3.26Å; D537-D539 PolarHBondContact O-N 3.29Å; D537-D539 PolarHBondContact OD1-N 3.16Å; D537-S540 PolarHBondContact O-N 2.95Å; D537-S540 WeakPolarHBondContact OD1-CB 3.33Å; D537-S540 PolarHBondContact OD1-N 3.43Å; D537-S540 VanDerWaalsContact OD2-CB 3.26Å; D537-S540 WeakPolarHBondContact OD2-CB 3.35Å; D537-F541 PolarHBondContact O-N 3.39Å
538F71.4Confident54.6Low7 Ų792.3 Ų92.33%0.03149%0.488CS..Hα-helixtrans-58.3-39.9178.1-178.1-88.1000111.2L118 M124 H128 L165 F536 S540 F541 I542L118-F538 HydrophobicContact CD2-CE2 4.47Å; M124-F538 HydrophobicContact CE-CD2 4.24Å; M124-F538 HydrophobicContact CE-CE1 4.03Å; M124-F538 HydrophobicContact CE-CE2 3.49Å; M124-F538 VanDerWaalsContact CE-CE2 3.49Å; M124-F538 HydrophobicContact CE-CZ 3.36Å; H128-F538 HydrophobicContact CB-CD1 4.46Å; H128-F538 HydrophobicContact CB-CE1 4.09Å; H128-F538 AromaticContact CD2-CE1 3.83Å; H128-F538 AromaticContact CE1-CD1 3.67Å; H128-F538 AromaticContact CE1-CE1 3.73Å; H128-F538 AromaticContact CG-CD1 3.87Å; H128-F538 AromaticContact CG-CE1 3.55Å; H128-F538 AromaticContact ND1-CD1 3.32Å; H128-F538 VanDerWaalsContact ND1-CD1 3.32Å; H128-F538 WeakPolarHBondContact ND1-CD1 3.44Å; H128-F538 AromaticContact ND1-CE1 3.47Å; H128-F538 WeakPolarHBondContact ND1-CE1 3.48Å; H128-F538 AromaticContact NE2-CE1 3.95Å; L165-F538 HydrophobicContact CD2-CE1 4.46Å; F536-F538 HydrophobicContact CD1-CB 4.5Å; F536-F538 HydrophobicContact CE1-CB 4.18Å; F536-F538 HydrophobicContact CE1-CD2 4.01Å; F536-F538 PolarHBondContact O-N 3.02Å; F536-F538 VanDerWaalsContact O-N 3.16Å; F538-S540 VanDerWaalsContact C-N 3.35Å; F538-S540 PolarHBondContact O-N 3.36Å; F538-F541 CarbonylContact O-C 3.49Å; F538-F541 WeakPolarHBondContact O-CA 3.45Å; F538-F541 WeakPolarHBondContact O-CB 3.14Å; F538-F541 PolarHBondContact O-N 3.35Å; F538-I542 HydrophobicContact CD1-CD1 4.41Å; F538-I542 HydrophobicContact CD1-CG1 3.73Å; F538-I542 HydrophobicContact CE1-CD1 3.69Å; F538-I542 HydrophobicContact CE1-CG1 3.36Å; F538-I542 HydrophobicContact CE2-CD1 4.33Å; F538-I542 HydrophobicContact CZ-CD1 3.64Å; F538-I542 HydrophobicContact CZ-CG1 3.87Å; F538-I542 WeakPolarHBondContact O-CG1 3.48Å; F538-I542 PolarHBondContact O-N 3.02Å
539D73.7Confident54.8Low85 Ų8592.4 Ų92.446%0.45549%0.485SS..Hα-helixtrans-66.8-39.3-177-55.7-1.6000110.4H128 D537 I542 A543H128-D539 IonicContact CE1-OD1 2.67Å; H128-D539 PolarHBondContact CE1-OD1 3.31Å; H128-D539 IonicContact ND1-OD1 2.27Å; H128-D539 PolarHBondContact ND1-OD1 3.31Å; D537-D539 VanDerWaalsContact C-N 3.26Å; D537-D539 PolarHBondContact O-N 3.29Å; D537-D539 PolarHBondContact OD1-N 3.16Å; D539-I542 PolarHBondContact O-N 3.32Å; D539-A543 WeakPolarHBondContact O-CB 3.24Å; D539-A543 PolarHBondContact O-N 3.45Å
540S76.4Confident55.1Low59 Ų5993.1 Ų93.141%0.41349%0.492SS..Hα-helixtrans-67.4-32.3170.1-176.70000113.3D537 F538 S544D537-S540 PolarHBondContact O-N 2.95Å; D537-S540 WeakPolarHBondContact OD1-CB 3.33Å; D537-S540 PolarHBondContact OD1-N 3.43Å; D537-S540 VanDerWaalsContact OD2-CB 3.26Å; D537-S540 WeakPolarHBondContact OD2-CB 3.35Å; F538-S540 VanDerWaalsContact C-N 3.35Å; F538-S540 PolarHBondContact O-N 3.36Å; S540-S544 VanDerWaalsContact O-CB 3.31Å; S540-S544 WeakPolarHBondContact O-CB 3.38Å; S540-S544 PolarHBondContact O-N 2.59Å; S540-S544 PolarHBondContact O-OG 2.84Å
541F75.3Confident55.4Low34 Ų3489.3 Ų89.315%0.14948%0.483CS..Hα-helixtrans-65.8-49.9170.5166-114000111.7L118 T162 F536 D537 F538 A543 S544 T545L118-F541 HydrophobicContact CD2-CE1 3.82Å; T162-F541 HydrophobicContact CG2-CE1 4.16Å; T162-F541 HydrophobicContact CG2-CZ 4.47Å; F536-F541 HydrophobicContact CE2-CB 3.84Å; F536-F541 HydrophobicContact CE2-CG 4.31Å; F536-F541 HydrophobicContact CZ-CB 3.64Å; F536-F541 AromaticContact CZ-CD1 3.96Å; F536-F541 HydrophobicContact CZ-CD1 3.96Å; F536-F541 AromaticContact CZ-CG 3.84Å; F536-F541 HydrophobicContact CZ-CG 3.84Å; D537-F541 PolarHBondContact O-N 3.39Å; F538-F541 CarbonylContact O-C 3.49Å; F538-F541 WeakPolarHBondContact O-CA 3.45Å; F538-F541 WeakPolarHBondContact O-CB 3.14Å; F538-F541 PolarHBondContact O-N 3.35Å; F541-A543 PolarHBondContact O-N 3.21Å; F541-S544 CarbonylContact O-C 3.43Å; F541-S544 WeakPolarHBondContact O-CA 3.46Å; F541-S544 WeakPolarHBondContact O-CB 3.36Å; F541-S544 PolarHBondContact O-N 2.68Å; F541-T545 WeakPolarHBondContact CE2-OG1 3.38Å; F541-T545 VanDerWaalsContact CZ-OG1 3.31Å; F541-T545 WeakPolarHBondContact CZ-OG1 3.44Å; F541-T545 PolarHBondContact O-N 3.26Å; F541-T545 PolarHBondContact O-OG1 2.99Å
542I71.9Confident55.4Low13 Ų1387.7 Ų87.77%0.06749%0.486CS..Hα-helixtrans-57.5-48.4176.3-62.7-57000110.8T162 L165 F538 D539 S544 T545 I546T162-I542 HydrophobicContact CG2-CD1 4.33Å; L165-I542 HydrophobicContact CD2-CD1 3.84Å; L165-I542 HydrophobicContact CD2-CG1 4.15Å; L165-I542 HydrophobicContact CD2-CG2 4.32Å; F538-I542 HydrophobicContact CD1-CD1 4.41Å; F538-I542 HydrophobicContact CD1-CG1 3.73Å; F538-I542 HydrophobicContact CE1-CD1 3.69Å; F538-I542 HydrophobicContact CE1-CG1 3.36Å; F538-I542 HydrophobicContact CE2-CD1 4.33Å; F538-I542 HydrophobicContact CZ-CD1 3.64Å; F538-I542 HydrophobicContact CZ-CG1 3.87Å; F538-I542 WeakPolarHBondContact O-CG1 3.48Å; F538-I542 PolarHBondContact O-N 3.02Å; D539-I542 PolarHBondContact O-N 3.32Å; I542-S544 PolarHBondContact O-N 3.09Å; I542-T545 PolarHBondContact O-N 3.44Å; I542-T545 VanDerWaalsContact O-N 3.15Å; I542-I546 HydrophobicContact CG2-CD1 3.71Å; I542-I546 HydrophobicContact CG2-CG1 4.42Å; I542-I546 WeakPolarHBondContact O-CG1 3.46Å; I542-I546 PolarHBondContact O-N 3.23Å
543A70.5Confident55.3Low61 Ų6187.3 Ų87.350%0.50448%0.484SS..Hα-helixtrans-61-25.6175.200000113.3D539 F541 K547D539-A543 WeakPolarHBondContact O-CB 3.24Å; D539-A543 PolarHBondContact O-N 3.45Å; F541-A543 PolarHBondContact O-N 3.21Å; A543-K547 WeakPolarHBondContact O-CB 3.26Å; A543-K547 PolarHBondContact O-N 3.37Å
544S64.7Low55.2Low57 Ų5785.5 Ų85.540%0.39948%0.48SS..Hα-helixtrans-79.3-40.4173.8-620000112.5S540 F541 I542 K547 L548S540-S544 VanDerWaalsContact O-CB 3.31Å; S540-S544 WeakPolarHBondContact O-CB 3.38Å; S540-S544 PolarHBondContact O-N 2.59Å; S540-S544 PolarHBondContact O-OG 2.84Å; F541-S544 CarbonylContact O-C 3.43Å; F541-S544 WeakPolarHBondContact O-CA 3.46Å; F541-S544 WeakPolarHBondContact O-CB 3.36Å; F541-S544 PolarHBondContact O-N 2.68Å; I542-S544 PolarHBondContact O-N 3.09Å; S544-K547 PolarHBondContact O-N 3.36Å; S544-L548 WeakPolarHBondContact O-CG 3.25Å; S544-L548 PolarHBondContact O-N 2.94Å
545T57.8Low54.6Low16 Ų1682.4 Ų82.410%0.09848%0.476CS..Hα-helixtrans-65.5-49.5176.4-53.20000111.3T162 E163 F541 I542 K547 L548 S549T162-T545 WeakPolarHBondContact OG1-CG2 3.42Å; E163-T545 HydrophobicContact CG-CG2 4.28Å; F541-T545 WeakPolarHBondContact CE2-OG1 3.38Å; F541-T545 VanDerWaalsContact CZ-OG1 3.31Å; F541-T545 WeakPolarHBondContact CZ-OG1 3.44Å; F541-T545 PolarHBondContact O-N 3.26Å; F541-T545 PolarHBondContact O-OG1 2.99Å; I542-T545 PolarHBondContact O-N 3.44Å; I542-T545 VanDerWaalsContact O-N 3.15Å; T545-K547 PolarHBondContact O-N 3.09Å; T545-L548 WeakPolarHBondContact O-CA 3.44Å; T545-L548 WeakPolarHBondContact O-CB 3.23Å; T545-L548 PolarHBondContact O-N 3.22Å; T545-S549 PolarHBondContact O-N 3.23Å
546I59.8Low54.4Low58 Ų5885.1 Ų85.130%0.29748%0.481SS..Hα-helixtrans-54.7-40.9175.8-66.6169.3000110.4E163 I542 L548 S549 L550E163-I546 HydrophobicContact CB-CG1 4.29Å; E163-I546 HydrophobicContact CG-CG1 4.32Å; I542-I546 HydrophobicContact CG2-CD1 3.71Å; I542-I546 HydrophobicContact CG2-CG1 4.42Å; I542-I546 WeakPolarHBondContact O-CG1 3.46Å; I542-I546 PolarHBondContact O-N 3.23Å; I546-L548 VanDerWaalsContact C-N 3.32Å; I546-L548 PolarHBondContact O-N 3.3Å; I546-S549 PolarHBondContact O-N 2.97Å; I546-L550 HydrophobicContact CG2-CD1 3.71Å; I546-L550 HydrophobicContact CG2-CG 4.3Å; I546-L550 WeakPolarHBondContact O-CB 3.49Å; I546-L550 VanDerWaalsContact O-CG 3.24Å; I546-L550 WeakPolarHBondContact O-CG 3.37Å; I546-L550 PolarHBondContact O-N 2.93Å
547K58.3Low53.1Low151 Ų15190.4 Ų90.466%0.65751%0.507SS*.Hα-helixtrans-72.4-19177.6-177.3175.7177.4-176.40114.6A543 S544 T545 Q551A543-K547 WeakPolarHBondContact O-CB 3.26Å; A543-K547 PolarHBondContact O-N 3.37Å; S544-K547 PolarHBondContact O-N 3.36Å; T545-K547 PolarHBondContact O-N 3.09Å; K547-Q551 PolarHBondContact O-NE2 3.18Å
548L49.6Very low51.3Low121 Ų12192.1 Ų92.163%0.63452%0.52SS*.Hα-helixtrans-83.6-41.6172.1-73.3166.1000110.9S544 T545 I546 Q551S544-L548 WeakPolarHBondContact O-CG 3.25Å; S544-L548 PolarHBondContact O-N 2.94Å; T545-L548 WeakPolarHBondContact O-CA 3.44Å; T545-L548 WeakPolarHBondContact O-CB 3.23Å; T545-L548 PolarHBondContact O-N 3.22Å; I546-L548 VanDerWaalsContact C-N 3.32Å; I546-L548 PolarHBondContact O-N 3.3Å; L548-Q551 PolarHBondContact O-N 3.07Å
549S38.3Very low49.5Very low64 Ų6497.1 Ų97.145%0.44855%0.551SS.*Hα-helixtrans-71.8-33.9179.9-150.40000113.3E163 T545 I546 Q551E163-S549 WeakPolarHBondContact OE1-CB 3.44Å; E163-S549 PolarHBondContact OE1-OG 3.39Å; E163-S549 WeakPolarHBondContact OE2-CB 3.43Å; E163-S549 PolarHBondContact OE2-OG 3.19Å; E163-S549 VanDerWaalsContact OE2-OG 3.07Å; T545-S549 PolarHBondContact O-N 3.23Å; I546-S549 PolarHBondContact O-N 2.97Å; S549-Q551 PolarHBondContact O-N 3.1Å
550L41.3Very low47.6Very low137 Ų137100.7 Ų100.772%0.71757%0.57SS**THydrogen-bonded Turntrans-7010.5172.8-70.6174.5000114.7I546I546-L550 HydrophobicContact CG2-CD1 3.71Å; I546-L550 HydrophobicContact CG2-CG 4.3Å; I546-L550 WeakPolarHBondContact O-CB 3.49Å; I546-L550 VanDerWaalsContact O-CG 3.24Å; I546-L550 WeakPolarHBondContact O-CG 3.37Å; I546-L550 PolarHBondContact O-N 2.93Å
551Q34.8Very low45.6Very low124 Ų124106.1 Ų106.158%0.57959%0.593SS**SBendtrans-91.8124.7170.5-60.6-163.73500110.2K547 L548 S549 E553K547-Q551 PolarHBondContact O-NE2 3.18Å; L548-Q551 PolarHBondContact O-N 3.07Å; S549-Q551 PolarHBondContact O-N 3.1Å; Q551-E553 PolarHBondContact O-N 2.92Å
552P32.7Very low43.6Very low120 Ų120108.5 Ų108.578%0.77961%0.614SS**PPolyproline II helixtrans-67.2125.3-178.226.9-33.8000111.1
553E32.6Very low41.8Very low170 Ų170115.7 Ų115.779%0.79465%0.647SS**PPolyproline II helixtrans-49.5125.8169.3-83.8-72.6173.200110.6Q551 C555Q551-E553 PolarHBondContact O-N 2.92Å; E553-C555 PolarHBondContact O-N 3.04Å
554P32.1Very low40.2Very low108 Ų108119.7 Ų119.770%0.70167%0.665SS**  trans-73.9100.5-171.828.2-34.5000111.9
555C28.4Very low39Very low107 Ų107119.7 Ų119.772%0.72367%0.674SS**  trans-54.6128.1177.6-54.60000112.1E553 E557E553-C555 PolarHBondContact O-N 3.04Å; C555-E557 VanDerWaalsContact C-N 3.29Å; C555-E557 PolarHBondContact O-N 3.48Å
556P38.8Very low37.8Very low127 Ų127125.9 Ų125.983%0.82571%0.706SS**THydrogen-bonded Turntrans-83.252.7-165.434.7-39000114.5
557E33.6Very low36.5Very low185 Ų185130.7 Ų130.786%0.86473%0.731SS**THydrogen-bonded Turntrans-142.56.3177.7-137.8173.7-157.300116.7C555C555-E557 VanDerWaalsContact C-N 3.29Å; C555-E557 PolarHBondContact O-N 3.48Å
558V35.7Very low35.3Very low131 Ų131130.5 Ų130.579%0.79474%0.738SS**  trans-12542.3-179.3-158.20000113.4
559T32.5Very low34.7Very low111 Ų111133 Ų13368%0.68175%0.746SS**  trans-112.738.7-174.8-33.40000113.5
560L34Very low34.3Very low161 Ų161138.3 Ų138.384%0.84377%0.768SS**SBendtrans-134.69.6-178.8-79177.5000115.9
561L34Very low34Very low172 Ų172138.9 Ų138.990%0.90177%0.772SS**SBendtrans-133.315.1-176.5-78.1175.8000116.3
562S34.5Very low33.6Very low84 Ų84142 Ų14259%0.58778%0.784SS**SBendtrans-115.1-19.2176.6580000115.5V564 G565S562-V564 PolarHBondContact O-N 2.63Å; S562-G565 PolarHBondContact O-N 3.11Å; S562-G565 VanDerWaalsContact O-N 3.15Å
563E34.9Very low33.5Very low165 Ų165141.4 Ų141.477%0.77178%0.783SS**THydrogen-bonded Turntrans-68.54.7-173.6-66.5-160.2125.300116
564V36.2Very low33.2Very low144 Ų144139.8 Ų139.887%0.87379%0.785SS**THydrogen-bonded Turntrans-95.4-8.3175.2-166.30000112S562S562-V564 PolarHBondContact O-N 2.63Å
565G38.3Very low32.8Very low57 Ų57140.2 Ų140.259%0.58879%0.79SS**SBendtrans-88.1-37.1-17500000116.6S562S562-G565 PolarHBondContact O-N 3.11Å; S562-G565 VanDerWaalsContact O-N 3.15Å
566L34.4Very low32.8Very low146 Ų146143.1 Ų143.176%0.76479%0.793SS**SBendtrans-10511.7-157.6-74.1169.7000116.5
567L32Very low32.2Very low160 Ų160143.8 Ų143.884%0.83879%0.789SS**SBendtrans-91.76.5-180-93166.9000115.4
568N33Very low32Very low147 Ų147143.8 Ų143.879%0.78679%0.789SS**SBendtrans-109.7-12-174.3-88.6-30.8000116.4
569E35.7Very low31.5Very low173 Ų173141.9 Ų141.981%0.80879%0.787SS**SBendtrans-99.1-10.7-172.5-62.2-156.8141.100115.5N571E569-N571 VanDerWaalsContact C-N 3.26Å; E569-N571 PolarHBondContact O-N 2.83Å
570L31.7Very low32Very low175 Ų175141.8 Ų141.892%0.91679%0.788SS**SBendtrans-87.632.3178.2-75.5172.4000114.1
571N33.2Very low31.6Very low149 Ų149145.2 Ų145.280%0.79779%0.79SS**SBendtrans-131.627.8-173.4-129.2-19.6000114.5E569E569-N571 VanDerWaalsContact C-N 3.26Å; E569-N571 PolarHBondContact O-N 2.83Å
572F28.3Very low31.2Very low189 Ų189141.8 Ų141.883%0.82978%0.78SS**SBendtrans-141.9135.3169-129.3-94.3000111.3
573S28.6Very low30.8Very low109 Ų109143.6 Ų143.676%0.76279%0.788SS**SBendtrans72.9129.7-168.6-38.20000113.3
574V26.7Very low30.3Very low136 Ų136140.3 Ų140.382%0.82478%0.783SS**  cis-132.4132.30.8176.50000109.7
575S24.4Very low29.9Very low116 Ų116142 Ų14281%0.81178%0.783SS**  trans-119.7102168.260.40000110.1
576Q27.4Very low29.3Very low168 Ų168143.3 Ų143.379%0.78578%0.784SS**  trans-152.1149.8164.2-80.9-148.559.300111.5
577L27.8Very low29Very low142 Ų142145.7 Ų145.774%0.74379%0.788SS**  trans69.776.8161.8-64.2164.5000119
578E27.7Very low28.9Very low185 Ų185143.4 Ų143.486%0.86478%0.781SS**  48.4127.7119.6-58.8-171.3143.300122.2
579A26Very low28.7Very low91 Ų91143.2 Ų143.275%0.75278%0.778SS**  trans-87.9-164.4165.100000110.3
580P43.1Very low28.4Very low109 Ų109139.9 Ų139.971%0.70877%0.774SS**  cis-141.7177.5-0.443.5-26.3000116.7
581R26.1Very low28.3Very low233 Ų233139.2 Ų139.288%0.87977%0.766SS**  -177.7126.4129-101158.8-167.6-164.84114.8
582S25.5Very low28.1Very low99 Ų99138.6 Ų138.669%0.69276%0.758SS**  trans33.4141.9137.463.90000121.3
583T24.7Very low28.2Very low122 Ų122136.7 Ų136.775%0.74875%0.75SS**  cis-167.9158.733.2-24.60000113.9
584S25.6Very low28.2Very low96 Ų96137.3 Ų137.367%0.67174%0.741SS**  trans56.7117151.751.60000120.4
585M26.9Very low28.2Very low179 Ų179139.1 Ų139.188%0.88274%0.74SS**  69.213577.6-70.7-173.978.800115
586S26.9Very low28.5Very low85 Ų85140 Ų14059%0.59473%0.73SS**  cis-170.9159.2-1.4-870000111.3
587K28Very low28.4Very low197 Ų197137 Ų13786%0.85773%0.725SS**  trans17090.5130.7-92.4167.6-174.6-179.40116.5
588T29.6Very low28.4Very low111 Ų111137.6 Ų137.668%0.68173%0.729SS**  31.7123.4123.556.40000124.3
589I28.7Very low28.4Very low144 Ų144133.8 Ų133.874%0.73872%0.718SS**  72.7141.3117.7-63.9166.4000118
590S29.6Very low28.5Very low102 Ų102135.9 Ų135.971%0.71372%0.717SS**  cis-123.8167.222.3-480000113.8
591Q28.6Very low27.8Very low162 Ų162137.9 Ų137.976%0.75772%0.72SS**  cis69137.136.8-93.2-173.4-24.100114.5
592E29.4Very low27.8Very low135 Ų135130.6 Ų130.663%0.63171%0.71SS**  cis-140.6-172.74-70.9-156.6103.800110.2
593K30.7Very low28.1Very low150 Ų150133.9 Ų133.965%0.65271%0.714SS**  cis-154178.86.7-145.2178.3-172.271.40113.7
594E29.3Very low28.2Very low122 Ų122135.7 Ų135.757%0.5772%0.719SS**  trans-69.6161.3173.6-50.4173.298.700118.5K596E594-K596 WeakPolarHBondContact OE1-CE 3.48Å; E594-K596 IonicContact OE1-NZ 3.44Å; E594-K596 PolarHBondContact OE1-NZ 3.07Å; E594-K596 IonicContact OE2-NZ 3.73Å; E594-K596 PolarHBondContact OE2-NZ 3.04Å
595E27Very low28.1Very low174 Ų174135 Ų13581%0.81373%0.726SS**  -168135.5108.9-92.1-171.7159.200108.2
596K30.4Very low27.9Very low135 Ų135130.2 Ų130.259%0.58772%0.723SS**  71.2136.462.7-66.9174.7-169.2139.30113.4E594E594-K596 WeakPolarHBondContact OE1-CE 3.48Å; E594-K596 IonicContact OE1-NZ 3.44Å; E594-K596 PolarHBondContact OE1-NZ 3.07Å; E594-K596 IonicContact OE2-NZ 3.73Å; E594-K596 PolarHBondContact OE2-NZ 3.04Å
597C23.8Very low27.9Very low103 Ų103130.4 Ų130.470%0.69674%0.738SS**  cis-171.5151.5-11.8-127.30000111
598L27.9Very low27.8Very low155 Ų155124.2 Ų124.281%0.81273%0.73SS**  trans58.7166.3150.6-61.6166.9000120.2
599V28.2Very low27.7Very low106 Ų106127.8 Ų127.864%0.64274%0.744SS**  cis-169.3162.1-4483.50000109.1
600N29.1Very low27.6Very low135 Ų135124.3 Ų124.372%0.72274%0.744SS**  trans66.2163.5166.8-76-8.5000117.4
601L26.9Very low27.6Very low151 Ų151125.9 Ų125.979%0.79175%0.749SS**  cis-147.4178.7-6.6-125.6164.2000110.5
602A27.3Very low27.7Very low80 Ų80124.7 Ų124.766%0.66175%0.752SS**  trans-105.5-169.6-165.600000115.3
603Q30.7Very low27.7Very low168 Ų168123.1 Ų123.179%0.78576%0.763SS**  trans97.5132146.2-82.1179.7-16.700122.3
604L27.8Very low27.5Very low160 Ų160119.3 Ų119.384%0.83877%0.766SS**  trans67.1144.4153.1-57.9160.8000116.2
605G23Very low27.5Very low80 Ų80120.9 Ų120.983%0.82578%0.778SS**  cis108.4133.81800000110.2
606G23.9Very low27.4Very low80 Ų80118 Ų11883%0.82578%0.776SS**  cis175.6174.7-3.100000111.4
607G25Very low27.1Very low88 Ų88118.3 Ų118.391%0.90779%0.789SS**  trans89155175.900000116.2
608G26.2Very low27.3Very low67 Ų67124.7 Ų124.769%0.69180%0.799SS**  cis171.2175.7-7.600000115.5
609L28.2Very low27.7Very low186 Ų186122.6 Ų122.697%0.97479%0.794SS**  trans83.6134.4171.1-73.979.1000120.8
610G26.7Very low27.6Very low71 Ų71122.1 Ų122.173%0.73280%0.801SS**  trans111.986.5169.300000115.7
611V29.8Very low27.8Very low136 Ų136124.5 Ų124.582%0.82481%0.808SS**  cis76.6117.730.3175.30000111.8
612V29.9Very low28.7Very low136 Ų136122.4 Ų122.482%0.82480%0.803SS**  cis-144.8166.121.9-131.10000114.9
613A29.2Very low28.8Very low102 Ų102128.8 Ų128.884%0.84381%0.81SS**  trans71.9145.9150.800000120.6
614G26.8Very low28.6Very low70 Ų70127.9 Ų127.972%0.72281%0.806SS**  cis-169.6172.4-1.100000113.9
615D28.7Very low28.5Very low156 Ų156123.8 Ų123.883%0.83479%0.791SS**  trans-94.4137.1-154.5-54.3-78.9000118.7
616C26.2Very low28.6Very low114 Ų114130 Ų13077%0.7780%0.796SS**  55.6164.2126.7-600000125.7
617V24.6Very low28.7Very low140 Ų140129.3 Ų129.385%0.84879%0.789SS**  trans113.7134.8151.2-172.70000117.1
618W26.7Very low29.3Very low238 Ų238131.9 Ų131.990%0.90279%0.79SS**  trans-80.8-166.7176-68.885.3000111.1
619P37.6Very low29.3Very low111 Ų111132.5 Ų132.572%0.72180%0.796SS**  cis-144.4-172.83.445.7-26.2000117.6
620A25.4Very low29.2Very low95 Ų95132.9 Ų132.979%0.78579%0.793SS**  trans71.8160.7144.600000122.6
621E32.4Very low29.1Very low185 Ų185134.6 Ų134.686%0.86479%0.793SS**  trans-86.6-163.9178.4-30.2-177.1139.400111.9
622P47.5Very low28.9Very low107 Ų107136.7 Ų136.770%0.69580%0.799SS**  cis-141.1-130.617.941.9-17.1000114.4
623W27.9Very low28.6Very low214 Ų214133.7 Ų133.781%0.81180%0.796SS**  trans59.6137.2161.996-45.6000119.2
624E27Very low28.4Very low149 Ų149137.2 Ų137.270%0.69680%0.8SS**  cis-146.9-172.715.1-79.1-154.6114.600112.4
625S26.2Very low28.4Very low74 Ų74137.2 Ų137.252%0.51780%0.8SS.*  cis155.7121.6-35.9-153.90000110.8
626F24.7Very low28.2Very low210 Ų210133.7 Ų133.792%0.92180%0.8SS**  trans59.7154.1175.8-56.2-81.6000117.6
627G27Very low28.3Very low66 Ų66134.3 Ų134.368%0.6881%0.805SS**  cis-158.1-158.39.500000113.5
628P36.4Very low28.5Very low143 Ų143136 Ų13693%0.92981%0.808SS**  trans-100.4161.8-152.338-37.9000117.5
629G25.9Very low28.6Very low79 Ų79132.2 Ų132.281%0.81480%0.804SS**  trans-167.5140165.600000112.1
630E25.8Very low28.5Very low195 Ų195134.4 Ų134.491%0.91181%0.81SS**  trans-99.9167.9-176.1-64178.9115.100113.6
631S25.6Very low28.8Very low106 Ų106138.7 Ų138.774%0.74181%0.814SS**  trans104.2121.8148.977.40000120.5
632L25.4Very low28.6Very low180 Ų180134.5 Ų134.594%0.94281%0.81SS**  trans38.7126.8149-75.576.3000120.7
633G24.5Very low27.9Very low74 Ų74133.8 Ų133.876%0.76381%0.807SS**  trans163.771.1148.500000120.4
634D25.3Very low28.1Very low176 Ų176133.7 Ų133.794%0.94181%0.806SS**  trans66.3156146.3-159.424000121.3
635G25Very low28.2Very low70 Ų70132.8 Ų132.872%0.72281%0.806SS**  trans85.6112.8152.600000120.4
636G26.2Very low28.3Very low81 Ų81135.8 Ų135.884%0.83582%0.816SS**  trans133.3113.7148.700000117
637C27.6Very low28.7Very low128 Ų128134.8 Ų134.887%0.86581%0.806SS**  trans-84.4134.2168.4-57.40000111.3
638L27.9Very low28.9Very low175 Ų175138.9 Ų138.992%0.91681%0.805SS**  trans-144.1114.2150.8-80.8-178.2000109.4
639I29.6Very low28.5Very low159 Ų159135 Ų13582%0.81579%0.785SS**  trans-135.499.8165.6-58.1175.5000105.9
640D35.3Very low28.7Very low157 Ų157135.3 Ų135.384%0.8477%0.768SS**  trans166.784.9142.7-93.9-19.1000110.9
641E31.1Very low29Very low185 Ų185132.5 Ų132.586%0.86476%0.755SS**SBendtrans-156.63.5159.8-127.3168.8-168.600114.3
642A28.8Very low29.3Very low96 Ų96133.7 Ų133.779%0.79375%0.752SS**  trans-107.422.4-165.100000115.8
643C31.9Very low29.5Very low93 Ų93131.7 Ų131.763%0.62874%0.738SS**SBendtrans-112.1-3.9-173.8-153.70000114.9
644W33.7Very low30Very low211 Ų211133.8 Ų133.880%0.79973%0.726SS**SBendtrans-92.4-41-174.9-75.796.2000114.3L646 R647W644-L646 PolarHBondContact O-N 3.11Å; W644-R647 PolarHBondContact O-N 3.34Å
645D27.8Very low30.3Very low130 Ų130132.1 Ų132.170%0.69571%0.713SS**THydrogen-bonded Turntrans-70.1-28.1-172.9-71.3-45.9000114.4R647 K648D645-R647 PolarHBondContact O-N 2.94Å; D645-K648 PolarHBondContact O-N 3.32Å
646L29.1Very low30.5Very low137 Ų137133 Ų13372%0.71771%0.707SS**Hα-helixtrans-62.2-24.8177.1-90165.2000113.3W644W644-L646 PolarHBondContact O-N 3.11Å
647R32.7Very low31Very low189 Ų189132.4 Ų132.471%0.71369%0.691SS**Hα-helixtrans-78-21.1178.8-65.1-169.8-176.8-136.92113.9W644 D645W644-R647 PolarHBondContact O-N 3.34Å; D645-R647 PolarHBondContact O-N 2.94Å
648K31.4Very low31.5Very low153 Ų153132.8 Ų132.867%0.66568%0.675SS**Hα-helixtrans-77.1-30.3175.1-84.1-178.1173.7174.70113.1D645D645-K648 PolarHBondContact O-N 3.32Å
649A27.1Very low32.1Very low61 Ų61127.5 Ų127.550%0.50465%0.65SS.*Hα-helixtrans-68.5-43.2177.900000112.2Q651 L652A649-Q651 VanDerWaalsContact C-N 3.3Å; A649-Q651 PolarHBondContact O-N 3Å; A649-L652 PolarHBondContact O-N 2.89Å
650D30.5Very low32.9Very low85 Ų85123.8 Ų123.846%0.45564%0.638SS.*Hα-helixtrans-64.6-34179.1-164.559.3000112.3L652 Q653 K654D650-L652 VanDerWaalsContact C-N 3.31Å; D650-L652 PolarHBondContact O-N 3.08Å; D650-Q653 PolarHBondContact O-N 2.81Å; D650-K654 PolarHBondContact O-N 3.31Å; D650-K654 VanDerWaalsContact O-N 3.17Å
651Q32.6Very low33.4Very low137 Ų137120 Ų12064%0.6461%0.613SS**Hα-helixtrans-65.1-32.5-179.1-158163.420.900112.9A649 Q653A649-Q651 VanDerWaalsContact C-N 3.3Å; A649-Q651 PolarHBondContact O-N 3Å; Q651-Q653 VanDerWaalsContact C-N 3.34Å
652L31.5Very low34Very low131 Ų131115.1 Ų115.169%0.68659%0.592SS**Hα-helixtrans-78.4-12.5173.1-82.4163.4000113.8A649 D650A649-L652 PolarHBondContact O-N 2.89Å; D650-L652 VanDerWaalsContact C-N 3.31Å; D650-L652 PolarHBondContact O-N 3.08Å
653Q29.3Very low34.8Very low138 Ų138114.5 Ų114.565%0.64558%0.576SS**Hα-helixtrans-88.8-31.6171.8-63.3-157-7100112.1D650 Q651 E655 S656D650-Q653 PolarHBondContact O-N 2.81Å; Q651-Q653 VanDerWaalsContact C-N 3.34Å; Q653-E655 VanDerWaalsContact C-N 3.3Å; Q653-E655 PolarHBondContact O-N 3.27Å; Q653-S656 WeakPolarHBondContact O-CB 3.32Å; Q653-S656 PolarHBondContact O-N 3.08Å; Q653-S656 PolarHBondContact O-OG 3.47Å
654K35.5Very low35.7Very low118 Ų118117.9 Ų117.951%0.51358%0.575SS.*Hα-helixtrans-68.2-21.6178.5-73.2-167.4176.4-169.70114.9D650 S656 S657D650-K654 PolarHBondContact O-N 3.31Å; D650-K654 VanDerWaalsContact O-N 3.17Å; K654-S656 PolarHBondContact O-N 2.94Å; K654-S657 PolarHBondContact O-N 3.14Å; K654-S657 PolarHBondContact O-OG 3.47Å
655E31.3Very low36.1Very low141 Ų141113 Ų11366%0.65956%0.56SS**THydrogen-bonded Turntrans-63.2-20.2170.2-68.5-179166.500112.1Q653Q653-E655 VanDerWaalsContact C-N 3.3Å; Q653-E655 PolarHBondContact O-N 3.27Å
656S28.7Very low36.6Very low87 Ų87112.6 Ų112.661%0.60855%0.552SS**THydrogen-bonded Turntrans-86.4-12176.974.40000115.6Q653 K654Q653-S656 WeakPolarHBondContact O-CB 3.32Å; Q653-S656 PolarHBondContact O-N 3.08Å; Q653-S656 PolarHBondContact O-OG 3.47Å; K654-S656 PolarHBondContact O-N 2.94Å
657S37.2Very low37Very low70 Ų70110.5 Ų110.549%0.4955%0.549SS..THydrogen-bonded Turntrans-85.1-21.7178.847.70000113.9K654 T659 S660K654-S657 PolarHBondContact O-N 3.14Å; K654-S657 PolarHBondContact O-OG 3.47Å; S657-T659 PolarHBondContact O-N 3.13Å; S657-S660 PolarHBondContact O-N 3.11Å; S657-S660 PolarHBondContact O-OG 3.49Å
658Y38.9Very low37.2Very low135 Ų135110.1 Ų110.153%0.52955%0.547SS..THydrogen-bonded Turntrans-59.8-27.2179.8-87.5-94.5000113.7S660Y658-S660 PolarHBondContact O-N 3Å
659T39.7Very low37.4Very low65 Ų65108.9 Ų108.940%0.39954%0.544SS..Hα-helixtrans-73.1-29.4-173.179.30000112.9S657 Y661 L662 D663S657-T659 PolarHBondContact O-N 3.13Å; T659-Y661 VanDerWaalsContact C-N 3.25Å; T659-Y661 PolarHBondContact O-N 3.29Å; T659-L662 PolarHBondContact O-N 3.42Å; T659-D663 WeakPolarHBondContact CB-OD2 3.44Å; T659-D663 VanDerWaalsContact O-CB 3.32Å; T659-D663 WeakPolarHBondContact O-CB 3.46Å; T659-D663 PolarHBondContact O-N 3.33Å; T659-D663 PolarHBondContact OG1-OD2 3.46Å
660S47.3Very low37.5Very low80 Ų80112.9 Ų112.956%0.55956%0.557SS**Hα-helixtrans-60.3-28.3-166.468.30000115.5S657 Y658 R664S657-S660 PolarHBondContact O-N 3.11Å; S657-S660 PolarHBondContact O-OG 3.49Å; Y658-S660 PolarHBondContact O-N 3Å; S660-R664 WeakPolarHBondContact O-CB 3.43Å
661Y45.3Very low37.6Very low79 Ų79116.6 Ų116.631%0.3158%0.577SS.*Hα-helixtrans-76.5-49.5172.8175-90.6000111.6L131 Y319 T659 R664 F665L131-Y661 HydrophobicContact CD1-CE1 4.39Å; L131-Y661 HydrophobicContact CD1-CE2 4.23Å; L131-Y661 WeakPolarHBondContact CD1-OH 3.39Å; Y319-Y661 AromaticContact CD1-CE2 3.63Å; Y319-Y661 HydrophobicContact CD1-CE2 3.63Å; Y319-Y661 AromaticContact CE1-CE2 3.85Å; Y319-Y661 HydrophobicContact CE1-CE2 3.85Å; Y319-Y661 AromaticContact CE1-CZ 3.92Å; Y319-Y661 WeakPolarHBondContact CE1-OH 3.43Å; Y319-Y661 HydrophobicContact CG-CE2 4.43Å; T659-Y661 VanDerWaalsContact C-N 3.25Å; T659-Y661 PolarHBondContact O-N 3.29Å; Y661-R664 PolarHBondContact O-N 2.82Å; Y661-F665 PolarHBondContact O-N 2.97Å
662L44.3Very low37.7Very low82 Ų82114.7 Ų114.743%0.42958%0.579SS.*Hα-helixtrans-68-43.5-177.9-65.3174.7000111.9T659 R664 F665 F666T659-L662 PolarHBondContact O-N 3.42Å; L662-R664 PolarHBondContact O-N 3.17Å; L662-F665 WeakPolarHBondContact O-CB 3.44Å; L662-F665 PolarHBondContact O-N 2.82Å; L662-F666 HydrophobicContact CB-CD2 4.44Å; L662-F666 HydrophobicContact CB-CE2 4.33Å; L662-F666 WeakPolarHBondContact O-CD2 3.4Å; L662-F666 PolarHBondContact O-N 3.14Å
663D45.3Very low37.7Very low83 Ų83114.9 Ų114.944%0.44459%0.585SS.*Hα-helixtrans-53.2-39.2174.3-70.7-26.7000111T659 S667T659-D663 WeakPolarHBondContact CB-OD2 3.44Å; T659-D663 VanDerWaalsContact O-CB 3.32Å; T659-D663 WeakPolarHBondContact O-CB 3.46Å; T659-D663 PolarHBondContact O-N 3.33Å; T659-D663 PolarHBondContact OG1-OD2 3.46Å; D663-S667 WeakPolarHBondContact O-CB 3.41Å; D663-S667 PolarHBondContact O-N 3.38Å; D663-S667 PolarHBondContact O-OG 3.06Å
664R50.2Low37.7Very low164 Ų164112.9 Ų112.962%0.61959%0.592SS**Hα-helixtrans-76.2-24.1-179.5-162175.9-171.3-168.30.6113.3S660 Y661 L662S660-R664 WeakPolarHBondContact O-CB 3.43Å; Y661-R664 PolarHBondContact O-N 2.82Å; L662-R664 PolarHBondContact O-N 3.17Å
665F41.7Very low37.3Very low109 Ų109116.5 Ų116.548%0.47861%0.611SS.*Hα-helixtrans-75.1-51170.8-173.2-99.4000110.7Y661 L662 R668Y661-F665 PolarHBondContact O-N 2.97Å; L662-F665 WeakPolarHBondContact O-CB 3.44Å; L662-F665 PolarHBondContact O-N 2.82Å; F665-R668 PolarHBondContact O-N 3.37Å
666F38.8Very low37.2Very low120 Ų120114.3 Ų114.353%0.52662%0.616SS.*Hα-helixtrans-66.9-40.1179.4-68.7-64.2000112.9L662 R668 Q669L662-F666 HydrophobicContact CB-CD2 4.44Å; L662-F666 HydrophobicContact CB-CE2 4.33Å; L662-F666 WeakPolarHBondContact O-CD2 3.4Å; L662-F666 PolarHBondContact O-N 3.14Å; F666-R668 PolarHBondContact O-N 3.13Å; F666-Q669 PolarHBondContact O-N 2.65Å
667S37.7Very low37.3Very low94 Ų94116.7 Ų116.766%0.65763%0.627SS**THydrogen-bonded Turntrans-63-6.6176.5-59.70000114.6D663D663-S667 WeakPolarHBondContact O-CB 3.41Å; D663-S667 PolarHBondContact O-N 3.38Å; D663-S667 PolarHBondContact O-OG 3.06Å
668R37.6Very low36.8Very low180 Ų180120.3 Ų120.368%0.67965%0.646SS**THydrogen-bonded Turntrans-99.6-6.6175.9-87.6179.8160-175.6-5.6114.2F665 F666F665-R668 PolarHBondContact O-N 3.37Å; F666-R668 PolarHBondContact O-N 3.13Å
669Q35.4Very low36.3Very low128 Ų128117.4 Ų117.460%0.59866%0.657SS**THydrogen-bonded Turntrans-92.7-26.5-175.2-105.2-178.90.700115F666F666-Q669 PolarHBondContact O-N 2.65Å
670D29.2Very low35.7Very low145 Ų145122.6 Ų122.678%0.77568%0.682SS**SBendtrans-80.2-28.7-172.4-75.4-35.7000114.9S672D670-S672 VanDerWaalsContact C-N 3.29Å; D670-S672 PolarHBondContact O-N 3.18Å
671D32.3Very low34.8Very low162 Ų162126.8 Ų126.887%0.86669%0.693SS**THydrogen-bonded Turntrans-82.555.9-176-84.3-24.2000113.6
672S33.7Very low33.9Very low98 Ų98131.8 Ų131.869%0.68572%0.721SS**THydrogen-bonded Turntrans-149.815.3176.366.30000118.5D670D670-S672 VanDerWaalsContact C-N 3.29Å; D670-S672 PolarHBondContact O-N 3.18Å
673V33.2Very low33Very low135 Ų135136.2 Ų136.282%0.81874%0.74SS**  trans-131.9132.5174.5-171.70000112.5
674A29.1Very low33.4Very low95 Ų95136.8 Ų136.879%0.78575%0.748SS**  trans71.7145.5-172.500000114.5
675E27.3Very low32.1Very low195 Ų195134.3 Ų134.391%0.91176%0.756SS**  cis-119.3167.13.5-69.4-173.712500112.8
676A29.1Very low31.4Very low94 Ų94135.4 Ų135.478%0.77777%0.771SS**  trans-142.2151.5168.200000111.7
677V30.3Very low30.9Very low137 Ų137135.2 Ų135.283%0.8378%0.779SS**  trans73.696171.9-167.10000116.7
678T27.1Very low30.5Very low146 Ų146140.5 Ų140.590%0.89679%0.791SS**  -154.4148.1110.8140000109.1
679G27.1Very low30Very low74 Ų74139.9 Ų139.976%0.76380%0.795SS**  trans-129.6157.2-177.700000112.3
680L28.4Very low29.7Very low175 Ų175142.4 Ų142.492%0.91681%0.812SS**  trans-156.9166.8167.5-108168.2000110
681E27.9Very low29.7Very low168 Ų168142.4 Ų142.479%0.78581%0.812SS**  trans-89.8145.2-166.1-51.1171.8137.800113.4
682M26.6Very low29.4Very low184 Ų184141.4 Ų141.491%0.90681%0.807SS**  170.3147115.6-92.9-168.1164.800115.4
683E26Very low29.3Very low174 Ų174140.9 Ų140.981%0.81380%0.803SS**  trans-91.4175.3168.1-79.6-94.8118.800111
684P51.8Low29Very low96 Ų96143.8 Ų143.862%0.62381%0.805SS**  cis-138.9-151-3739.4-20.4000112.2
685S24.5Very low29.1Very low111 Ų111146.1 Ų146.178%0.77680%0.803SS**  trans80.8151.7173.281.40000115
686V26.8Very low29.2Very low132 Ų132143.1 Ų143.180%0.879%0.794SS**  cis-136.6146.632.1168.40000113.4
687V28.1Very low29.3Very low116 Ų116144.3 Ų144.370%0.70379%0.791SS**  trans-78.1143.7172.3174.70000111.7
688K28.3Very low29.3Very low206 Ų206142.8 Ų142.890%0.89679%0.787SS**  trans-152.1110150-123.7174-173.41800113.7
689E28.1Very low29.3Very low167 Ų167140.5 Ų140.578%0.7878%0.783SS**  trans-76.5159.7164-62153.6136.200110.2
690L29.3Very low29.4Very low181 Ų181145.1 Ų145.195%0.94879%0.785SS**  trans-146.3147148.5-107.2170.4000107.7
691D29.2Very low29.4Very low145 Ų145144.1 Ų144.178%0.77578%0.779SS**  trans-119.4-169.6-150.2-149.4-19.8000112.7
692D26.5Very low29.4Very low141 Ų141141.3 Ų141.375%0.75477%0.773SS**  trans78.3141.1169.3-66.4-40.6000118.4
693S29.9Very low29.4Very low87 Ų87140.2 Ų140.261%0.60877%0.769SS**  cis-170.4136.4-17.650.50000112.5
694F28.2Very low29.4Very low195 Ų195138.7 Ų138.786%0.85577%0.767SS**  trans61.7151.6151.8-72.8-127.9000118.2
695L31Very low28.4Very low144 Ų144141.2 Ų141.275%0.75477%0.772SS**  cis-127.1137.56.2-69.4162.5000108.9
696D29.5Very low28.6Very low133 Ų133142.9 Ų142.971%0.71177%0.768SS**  48.7110.284.1-160.729000113.3
697T30.9Very low28.6Very low118 Ų118143 Ų14372%0.72476%0.763SS**  -161.2163.358.953.10000112
698S29.2Very low28.6Very low105 Ų105143.5 Ų143.573%0.73476%0.762SS**  cis-177.4179.3-18.2620000110.5
699A28.8Very low28.6Very low98 Ų98138.1 Ų138.181%0.8175%0.75SS**  trans73.8112.4160.500000122
700E28.6Very low28.7Very low172 Ų172138.4 Ų138.480%0.80476%0.756SS**  trans-79.8170.9162.6-57.3162.3111.600111
701I29.1Very low28.6Very low154 Ų154134.3 Ų134.379%0.7975%0.749SS**  -175.1140.975.6-79.5171.3000105.9
702V27.1Very low28.7Very low109 Ų109134.7 Ų134.766%0.66175%0.75SS**  cis99.714023.5-179.60000114.4
703L27Very low29.4Very low160 Ų160134.2 Ų134.284%0.83875%0.754SS**  trans75.3121.7-171.6-52.1180000116
704N26.4Very low29.6Very low143 Ų143135.1 Ų135.177%0.76576%0.756SS**  cis98.1141.611.3-156.715000116.8
705M29.1Very low29.7Very low149 Ų149134.4 Ų134.473%0.73475%0.753SS**  trans68.6156.3171.8-63-174.881.800118.5
706Q28.7Very low29.7Very low145 Ų145134.7 Ų134.768%0.67876%0.755SS**  cis-168.4149.2-39.8-136.2-177.7-8.800111
707L28.3Very low29.7Very low135 Ų135131.3 Ų131.371%0.70775%0.752SS**  trans62147.1151-77.9162.5000125.2
708D27.9Very low31Very low126 Ų126131.2 Ų131.267%0.67475%0.753SS**  trans75.8105.2146.2-79.4-49.4000126.7
709S28.3Very low31.2Very low93 Ų93133 Ų13365%0.6575%0.754SS**  49.7117.6109.6-50.20000122.7
710L29Very low31.3Very low173 Ų173136 Ų13691%0.90676%0.757SS**  170.6149.8113-94.2168.7000117.5
711A28.1Very low31.7Very low96 Ų96135.3 Ų135.379%0.79376%0.758SS**  trans79.1158.314800000123.1
712L31.1Very low32.6Very low152 Ų152133 Ų13380%0.79675%0.753SS**  trans-114.6176.5-168.8-67.1166.4000112.9
713P41.7Very low32.8Very low131 Ų131135.4 Ų135.485%0.85176%0.761SS**  -135.3-169.7109.237.5-25.6000115.3
714V33Very low33Very low107 Ų107137.2 Ų137.265%0.64876%0.762SS**  trans-136.7176.4-152.3174.10000112.9
715F31.7Very low33.2Very low179 Ų179134.5 Ų134.579%0.78576%0.755SS**  trans96.7141.5170.5-59.7-76.3000115.9
716D29.8Very low33.4Very low151 Ų151134.7 Ų134.781%0.80776%0.757SS**  cis-153.3176.41.2-133.4-31.8000112.9
717G31Very low33.5Very low62 Ų62136.1 Ų136.164%0.63976%0.764SS**  trans-116.2-154.9174.500000114.2
718P58.3Low33.6Very low115 Ų115134 Ų13475%0.74777%0.766SS**  cis-139.5-153.9-8.932.5-6.3000114.5
719D32.1Very low33.7Very low142 Ų142133.4 Ų133.476%0.75977%0.771SS**  trans110119.8148.4-61-22000124.6
720D32Very low33.7Very low163 Ų163137.1 Ų137.187%0.87278%0.783SS**  trans72.4147.5137.9-91.7-16.1000129.1
721L35.2Very low33.9Very low157 Ų157133.2 Ų133.282%0.82277%0.771SS**  trans-99.2171.4170.2-83.3164.2000109.9
722P49.8Very low34.6Very low106 Ų106134.4 Ų134.469%0.68877%0.77SS**  cis-160.4173.540.744.8-21.5000121.6
723L29.8Very low34.4Very low158 Ų158132.8 Ų132.883%0.82777%0.77SS**  trans38.4146.3141.5-66.5170.4000125.6
724K31.4Very low35Very low198 Ų198132 Ų13286%0.86177%0.765SS**  trans87154.1162.5-61.6176.4-175.8172.30117.5
725S30.8Very low34.9Very low87 Ų87132.5 Ų132.561%0.60877%0.768SS**  cis-179.3158.6-25.6600000111.3
726I32.4Very low34.7Very low153 Ų153133.1 Ų133.179%0.78577%0.771SS**  trans71.7150.8160.9-67.7163000114.3
727Q31.1Very low34.5Very low174 Ų174131 Ų13181%0.81377%0.766SS**  cis-145.5157.65.6-144.2159.9-17.800108.3
728A31.8Very low34.2Very low90 Ų90133.1 Ų133.174%0.74477%0.771SS**  cis100.378.78.400000118.8
729S29.4Very low33.8Very low114 Ų114132.8 Ų132.880%0.79777%0.769SS**  trans-151.3151169.7520000110.3
730L28.7Very low33.5Very low171 Ų171134.8 Ų134.890%0.89577%0.774SS**  cis-152.2158.6-3.3-115.5166.8000110
731S31.8Very low33.4Very low92 Ų92134.8 Ų134.864%0.64377%0.772SS**  trans-135.7158.2173.663.20000111.4
732P42.8Very low33Very low120 Ų120132 Ų13278%0.77977%0.771SS**  -150.2129.7113.932.1-12.9000114.2
733C26.9Very low32.1Very low119 Ų119134.3 Ų134.380%0.80477%0.773SS**  90.8153.378.5-74.70000116.2
734P56.3Low32.2Very low115 Ų115134.4 Ų134.475%0.74777%0.767SS**  trans-134.3-153.4-149.436.3-13.8000116.2
735V29.3Very low32.1Very low117 Ų117131.3 Ų131.371%0.70976%0.764SS**  trans96.5115.1156.9-169.70000119.7
736K27.9Very low32.1Very low192 Ų192138 Ų13884%0.83578%0.778SS**  -176.3129.5122-107.8138.1-168.6171.60118.1
737C24.8Very low31.8Very low106 Ų106135.7 Ų135.772%0.71678%0.775SS**  trans40.2109.7140.6-52.10000125
738S25.1Very low31.6Very low107 Ų107133.2 Ų133.275%0.74878%0.778SS**  8.6170.9107.461.80000122.3
739P50.4Low31.5Very low108 Ų108136.3 Ų136.370%0.70178%0.78SS**  cis-143.2170.2-44.640.8-24.4000115.5
740Q26.6Very low31.5Very low183 Ų183140.1 Ų140.186%0.85578%0.782SS**  trans168.8129149.2-95.4162.836.800109.1
741I29.5Very low31.6Very low164 Ų164140.4 Ų140.484%0.84178%0.776SS**  83.9102.259.2-64.4170.8000114.8
742A26.9Very low31.5Very low97 Ų97142.8 Ų142.880%0.80278%0.777SS**  trans163.6146.9153.200000109.9
743H29.9Very low30.9Very low155 Ų155143.9 Ų143.972%0.71878%0.776SS**  cis-156.7179.4-19.3-157.1-127.9000110.7
744K32.3Very low31.4Very low160 Ų160149 Ų14970%0.69680%0.795SS**  trans-62.4171-174.7-49.1160-175.5165.40113.6
745T29.8Very low30.2Very low133 Ų133150.7 Ų150.782%0.81680%0.797SS**  cis-162.5175.526.2-28.90000112.8
746Y29.6Very low30.2Very low227 Ų227152.4 Ų152.489%0.8980%0.802SS**  trans-61164171.9-96.7-110.8000117
747S27.1Very low30.3Very low105 Ų105150.2 Ų150.273%0.73480%0.8SS**  trans98.6119.2142-160.10000119.9
748S27Very low30.7Very low123 Ų123152.8 Ų152.886%0.8681%0.805SS**  -159.7128.3119.4-79.90000111
749I29.7Very low31Very low154 Ų154155.7 Ų155.779%0.7981%0.809SS**  trans-117.7128.4173.1-78.5176.2000107
750F29.9Very low29.7Very low194 Ų194158.9 Ų158.985%0.85182%0.816SS**  trans51.8127.3170.3-85.9-113000118.6
751K29.6Very low29.9Very low177 Ų177157.1 Ų157.177%0.7781%0.813SS**  -173.1131107.9-103.1178174.8-174.90114.9
752H30.5Very low30Very low143 Ų143156.6 Ų156.666%0.66281%0.811SS**  trans60.3126142.5-69.3-51.3000122.9
753L29.8Very low30.2Very low143 Ų143161.6 Ų161.675%0.74981%0.811SS**  trans73148.3136.6-62.3167000117.7
754N37.7Very low30.3Very low225 Ų225162.2 Ų162.2100%1.20382%0.82SS**  cis-96.101-64.7-56000112.6

Retrieved 754 of 754 residues in 996.6 ms (Link to these results)

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