A0A3Q0KPG6_SCHMA Loading...

Unconventional prefoldin RPB5 interactor

AlphaFold DB , UniProt , Accession A0A3Q0KPG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 361 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
1M53.5Low77.9Confident164 Ų164105.4 Ų105.481%0.80854%0.541SS*.  0-33.30-78.4176.7175.100112.2I3 N4M1-I3 PolarHBondContact O-N 3.4Å; M1-N4 PolarHBondContact O-N 3.2Å
2A59.7Low79.2Confident68 Ų68100.3 Ų100.356%0.56252%0.515SS*.Hα-helixtrans-52.2-38.618000000116.8N4 E5 E6A2-N4 PolarHBondContact O-N 3.02Å; A2-N4 VanDerWaalsContact O-N 3.09Å; A2-E5 PolarHBondContact O-N 3.16Å; A2-E5 VanDerWaalsContact O-N 3.09Å; A2-E6 PolarHBondContact O-N 3.22Å; A2-E6 VanDerWaalsContact O-N 3.16Å
3I61.9Low80.4Confident127 Ų12798.5 Ų98.565%0.65152%0.517SS*.Hα-helixtrans-56.2-33.8-177.5-59.8170.5000111.9M1 N7M1-I3 PolarHBondContact O-N 3.4Å; I3-N7 WeakPolarHBondContact O-CB 3.43Å; I3-N7 PolarHBondContact O-N 3.39Å; I3-N7 PolarHBondContact O-ND2 3.34Å
4N71.8Confident81.5Confident70 Ų70102.6 Ų102.637%0.37452%0.522SS..Hα-helixtrans-77.6-36.8-178.6-68.2-27.2000112.5M1 A2 N7 F8 K132M1-N4 PolarHBondContact O-N 3.2Å; A2-N4 PolarHBondContact O-N 3.02Å; A2-N4 VanDerWaalsContact O-N 3.09Å; N4-N7 PolarHBondContact O-N 3.5Å; N4-F8 HydrophobicContact CB-CE2 4.39Å; N4-F8 WeakPolarHBondContact O-CD2 2.99Å; N4-F8 PolarHBondContact O-N 3.43Å; N4-F8 VanDerWaalsContact O-N 3.09Å; N4-K132 VanDerWaalsContact CB-NZ 3.34Å; N4-K132 VanDerWaalsContact CG-NZ 3.34Å; N4-K132 PolarHBondContact ND2-NZ 3.39Å
5E76.8Confident82.5Confident133 Ų13396.9 Ų96.962%0.62149%0.493SS*.Hα-helixtrans-66.8-43.4179.2-71.1169-159.300111.1A2 N7 F8 G9A2-E5 PolarHBondContact O-N 3.16Å; A2-E5 VanDerWaalsContact O-N 3.09Å; E5-N7 VanDerWaalsContact C-N 3.31Å; E5-N7 PolarHBondContact O-N 2.95Å; E5-F8 PolarHBondContact O-N 2.93Å; E5-G9 PolarHBondContact O-N 3.34Å
6E82.3Confident83.3Confident152 Ų15294.6 Ų94.671%0.7149%0.485SS*.Hα-helixtrans-61.9-40.5176.1-165.4177.3-173.100111.5A2 G9 R10A2-E6 PolarHBondContact O-N 3.22Å; A2-E6 VanDerWaalsContact O-N 3.16Å; E6-G9 PolarHBondContact O-N 3.26Å; E6-R10 WeakPolarHBondContact O-CB 3.44Å; E6-R10 PolarHBondContact O-N 3.44Å
7N86.8Confident84.1Confident87 Ų8792.1 Ų92.147%0.46548%0.478SS..Hα-helixtrans-62.1-43175.6-72.6-20.7000112.6I3 N4 E5 R10 L11I3-N7 WeakPolarHBondContact O-CB 3.43Å; I3-N7 PolarHBondContact O-N 3.39Å; I3-N7 PolarHBondContact O-ND2 3.34Å; N4-N7 PolarHBondContact O-N 3.5Å; E5-N7 VanDerWaalsContact C-N 3.31Å; E5-N7 PolarHBondContact O-N 2.95Å; N7-R10 PolarHBondContact O-N 3.06Å; N7-L11 WeakPolarHBondContact O-CB 3.44Å; N7-L11 PolarHBondContact O-N 3.46Å
8F88.8Confident84.8Confident44 Ų4489.2 Ų89.219%0.19346%0.463CS..Hα-helixtrans-67.8-39.5176.9-71.3-62.1000112.3N4 E5 L11 L12 T125 L128 V129 K132N4-F8 HydrophobicContact CB-CE2 4.39Å; N4-F8 WeakPolarHBondContact O-CD2 2.99Å; N4-F8 PolarHBondContact O-N 3.43Å; N4-F8 VanDerWaalsContact O-N 3.09Å; E5-F8 PolarHBondContact O-N 2.93Å; F8-L11 PolarHBondContact O-N 2.81Å; F8-L12 WeakPolarHBondContact O-CB 3.21Å; F8-L12 WeakPolarHBondContact O-CG 3.39Å; F8-L12 PolarHBondContact O-N 3.4Å; F8-T125 HydrophobicContact CD1-CG2 4.29Å; F8-L128 HydrophobicContact CE1-CB 4.48Å; F8-V129 HydrophobicContact CB-CG2 3.63Å; F8-V129 HydrophobicContact CD1-CG2 3.79Å; F8-V129 HydrophobicContact CD2-CG2 3.92Å; F8-V129 HydrophobicContact CE1-CG2 4.42Å; F8-V129 HydrophobicContact CG-CG2 3.52Å; F8-K132 HydrophobicContact CE2-CD 4.04Å
9G89.7Confident85.5Confident41 Ų4185.3 Ų85.342%0.42344%0.442SS..Hα-helixtrans-59.7-46.4173.900000111.9E5 E6 L11 L12 S13E5-G9 PolarHBondContact O-N 3.34Å; E6-G9 PolarHBondContact O-N 3.26Å; G9-L11 PolarHBondContact O-N 2.97Å; G9-L12 PolarHBondContact O-N 3.46Å; G9-S13 WeakPolarHBondContact O-CB 3.43Å; G9-S13 PolarHBondContact O-N 3.05Å
10R92.6Very high86.1Confident198 Ų19886.4 Ų86.475%0.74745%0.446SS*.Hα-helixtrans-61-42.4174.6-177.7-179.7174.5-174.2-0.9112.1E6 N7 S13 R14E6-R10 WeakPolarHBondContact O-CB 3.44Å; E6-R10 PolarHBondContact O-N 3.44Å; N7-R10 PolarHBondContact O-N 3.06Å; R10-S13 PolarHBondContact O-N 3Å; R10-R14 WeakPolarHBondContact O-CB 3.23Å; R10-R14 PolarHBondContact O-N 3.06Å
11L93.5Very high86.6Confident75 Ų7585.7 Ų85.739%0.39345%0.445SS..Hα-helixtrans-63.8-46.9178.317859.7000111.7N7 F8 G9 R14 Q15 T125N7-L11 WeakPolarHBondContact O-CB 3.44Å; N7-L11 PolarHBondContact O-N 3.46Å; F8-L11 PolarHBondContact O-N 2.81Å; G9-L11 PolarHBondContact O-N 2.97Å; L11-R14 PolarHBondContact O-N 2.73Å; L11-Q15 HydrophobicContact CD1-CG 4.26Å; L11-Q15 VanDerWaalsContact O-CG 3.32Å; L11-Q15 WeakPolarHBondContact O-CG 3.34Å; L11-Q15 PolarHBondContact O-N 3.32Å; L11-T125 HydrophobicContact CD2-CG2 3.72Å; L11-T125 HydrophobicContact CG-CG2 4.15Å
12L93.8Very high88.7Confident44 Ų4478 Ų7823%0.2341%0.408CS..Hα-helixtrans-61.5-46.1177-75.2170.3000111.1F8 G9 R14 Q15 T16 I122 T125 K126F8-L12 WeakPolarHBondContact O-CB 3.21Å; F8-L12 WeakPolarHBondContact O-CG 3.39Å; F8-L12 PolarHBondContact O-N 3.4Å; G9-L12 PolarHBondContact O-N 3.46Å; L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 2.99Å; L12-Q15 PolarHBondContact O-N 3.4Å; L12-T16 WeakPolarHBondContact O-CG2 3.5Å; L12-T16 PolarHBondContact O-N 2.87Å; L12-T16 PolarHBondContact O-OG1 2.83Å; L12-T16 VanDerWaalsContact O-OG1 3.12Å; L12-I122 HydrophobicContact CD2-CG2 4.26Å; L12-T125 HydrophobicContact CD2-CG2 3.8Å; L12-T125 HydrophobicContact CG-CG2 3.94Å; L12-K126 HydrophobicContact CD2-CG 4.17Å
13S94.5Very high90.5Very high77 Ų7778.2 Ų78.254%0.53840%0.397SS..Hα-helixtrans-57.8-40176-179.70000112.3G9 R10 T16 S17G9-S13 WeakPolarHBondContact O-CB 3.43Å; G9-S13 PolarHBondContact O-N 3.05Å; R10-S13 PolarHBondContact O-N 3Å; S13-T16 WeakPolarHBondContact CA-OG1 3.37Å; S13-T16 PolarHBondContact O-OG1 2.9Å; S13-S17 WeakPolarHBondContact O-CB 3.34Å; S13-S17 PolarHBondContact O-N 2.89Å; S13-S17 VanDerWaalsContact O-N 3.12Å
14R95.7Very high92.2Very high157 Ų15778.4 Ų78.459%0.59240%0.395SS*.Hα-helixtrans-65.9-48175.7179.161.7-166.3-155.210111.8R10 L11 L12 T16 S17 D18R10-R14 WeakPolarHBondContact O-CB 3.23Å; R10-R14 PolarHBondContact O-N 3.06Å; L11-R14 PolarHBondContact O-N 2.73Å; L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 2.99Å; R14-T16 VanDerWaalsContact C-N 3.34Å; R14-T16 PolarHBondContact O-N 3.49Å; R14-S17 PolarHBondContact O-N 3.19Å; R14-D18 IonicContact CZ-OD1 3.58Å; R14-D18 VanDerWaalsContact CZ-OD1 3.31Å; R14-D18 IonicContact NE-OD1 2.73Å; R14-D18 PolarHBondContact NE-OD1 3.19Å; R14-D18 IonicContact NE-OD2 3.38Å; R14-D18 PolarHBondContact NE-OD2 3.02Å; R14-D18 VanDerWaalsContact NE-OD2 3.16Å; R14-D18 IonicContact NH2-OD1 3.71Å; R14-D18 PolarHBondContact NH2-OD1 3.45Å; R14-D18 VanDerWaalsContact O-CG 3.29Å; R14-D18 PolarHBondContact O-N 2.93Å
15Q96Very high93.5Very high17 Ų1778.3 Ų78.38%0.07939%0.392CS..Hα-helixtrans-62.4-40.3180-70.4168.7-14.200112L11 L12 D18 I19 I122 T125L11-Q15 HydrophobicContact CD1-CG 4.26Å; L11-Q15 VanDerWaalsContact O-CG 3.32Å; L11-Q15 WeakPolarHBondContact O-CG 3.34Å; L11-Q15 PolarHBondContact O-N 3.32Å; L12-Q15 PolarHBondContact O-N 3.4Å; Q15-D18 PolarHBondContact O-N 3.17Å; Q15-I19 WeakPolarHBondContact O-CG1 3.33Å; Q15-I19 PolarHBondContact O-N 2.75Å; Q15-I122 HydrophobicContact CB-CD1 3.9Å; Q15-I122 HydrophobicContact CB-CG1 3.53Å; Q15-I122 HydrophobicContact CG-CG1 4.29Å; Q15-T125 PolarHBondContact NE2-OG1 3.47Å; Q15-T125 PolarHBondContact OE1-OG1 3.44Å
16T96.1Very high94.5Very high60 Ų6072.8 Ų72.837%0.36837%0.367SS..Hα-helixtrans-64.3-42.617651.90000111.4L12 S13 R14 D18 I19 E20 I122L12-T16 WeakPolarHBondContact O-CG2 3.5Å; L12-T16 PolarHBondContact O-N 2.87Å; L12-T16 PolarHBondContact O-OG1 2.83Å; L12-T16 VanDerWaalsContact O-OG1 3.12Å; S13-T16 WeakPolarHBondContact CA-OG1 3.37Å; S13-T16 PolarHBondContact O-OG1 2.9Å; R14-T16 VanDerWaalsContact C-N 3.34Å; R14-T16 PolarHBondContact O-N 3.49Å; T16-D18 PolarHBondContact O-N 2.9Å; T16-I19 PolarHBondContact O-N 3.45Å; T16-E20 WeakPolarHBondContact O-CG 3.36Å; T16-E20 PolarHBondContact O-N 2.9Å; T16-I122 HydrophobicContact CG2-CD1 4.07Å
17S97Very high95.2Very high52 Ų5271 Ų7136%0.36436%0.361SS..Hα-helixtrans-63.7-39.9175.3-175.90000112.3S13 R14 I19 E20 T21S13-S17 WeakPolarHBondContact O-CB 3.34Å; S13-S17 PolarHBondContact O-N 2.89Å; S13-S17 VanDerWaalsContact O-N 3.12Å; R14-S17 PolarHBondContact O-N 3.19Å; S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 PolarHBondContact O-N 3.4Å; S17-E20 PolarHBondContact O-N 3.26Å; S17-T21 WeakPolarHBondContact O-CG2 3.46Å; S17-T21 PolarHBondContact O-N 2.76Å; S17-T21 PolarHBondContact O-OG1 2.94Å; S17-T21 VanDerWaalsContact O-OG1 3.07Å
18D96.9Very high95.7Very high40 Ų4069 Ų6921%0.21435%0.354CS..Hα-helixtrans-65.4-33.1175.8-67.8-29.1000111.5R14 Q15 T16 T21 T22 L118R14-D18 IonicContact CZ-OD1 3.58Å; R14-D18 VanDerWaalsContact CZ-OD1 3.31Å; R14-D18 IonicContact NE-OD1 2.73Å; R14-D18 PolarHBondContact NE-OD1 3.19Å; R14-D18 IonicContact NE-OD2 3.38Å; R14-D18 PolarHBondContact NE-OD2 3.02Å; R14-D18 VanDerWaalsContact NE-OD2 3.16Å; R14-D18 IonicContact NH2-OD1 3.71Å; R14-D18 PolarHBondContact NH2-OD1 3.45Å; R14-D18 VanDerWaalsContact O-CG 3.29Å; R14-D18 PolarHBondContact O-N 2.93Å; Q15-D18 PolarHBondContact O-N 3.17Å; T16-D18 PolarHBondContact O-N 2.9Å; D18-T21 WeakPolarHBondContact CA-OG1 3.41Å; D18-T21 PolarHBondContact O-OG1 3.48Å; D18-T22 WeakPolarHBondContact O-CB 3.46Å; D18-T22 PolarHBondContact O-N 3.44Å; D18-T22 VanDerWaalsContact O-N 3.13Å; D18-T22 PolarHBondContact O-OG1 3.41Å; D18-L118 HydrophobicContact CB-CD1 4.17Å; D18-L118 HydrophobicContact CB-CD2 4.33Å
19I97.4Very high96.1Very high14 Ų1466.9 Ų66.97%0.07235%0.345CS..Hα-helixtrans-68.1-48.4171.8-70.7180000111.1Q15 T16 S17 T21 T22 E23 L118 N119 I122Q15-I19 WeakPolarHBondContact O-CG1 3.33Å; Q15-I19 PolarHBondContact O-N 2.75Å; T16-I19 PolarHBondContact O-N 3.45Å; S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 PolarHBondContact O-N 3.4Å; I19-T21 VanDerWaalsContact C-N 3.3Å; I19-T21 PolarHBondContact O-N 3.3Å; I19-T22 WeakPolarHBondContact O-CB 3.31Å; I19-T22 PolarHBondContact O-N 3.2Å; I19-T22 VanDerWaalsContact O-N 3.13Å; I19-E23 HydrophobicContact CG2-CG 4.21Å; I19-E23 WeakPolarHBondContact O-CG 3.43Å; I19-E23 PolarHBondContact O-N 3.44Å; I19-L118 HydrophobicContact CD1-CB 4.01Å; I19-L118 HydrophobicContact CG1-CB 3.57Å; I19-L118 HydrophobicContact CG1-CD1 4.03Å; I19-L118 HydrophobicContact CG1-CG 4.41Å; I19-N119 WeakPolarHBondContact CD1-OD1 3.27Å; I19-I122 HydrophobicContact CD1-CD1 3.28Å; I19-I122 HydrophobicContact CD1-CG1 4.31Å; I19-I122 HydrophobicContact CG1-CD1 4.33Å
20E97.5Very high96.5Very high108 Ų10868.7 Ų68.751%0.50534%0.342SS..Hα-helixtrans-57.9-43.5-180-73.3171.4-171.900111.7T16 S17 E23 Q24T16-E20 WeakPolarHBondContact O-CG 3.36Å; T16-E20 PolarHBondContact O-N 2.9Å; S17-E20 PolarHBondContact O-N 3.26Å; E20-E23 PolarHBondContact O-N 3.14Å; E20-Q24 VanDerWaalsContact O-CG 3.3Å; E20-Q24 WeakPolarHBondContact O-CG 3.28Å; E20-Q24 PolarHBondContact O-N 3.45Å
21T97.5Very high96.7Very high72 Ų7264.7 Ų64.744%0.44233%0.33SS..Hα-helixtrans-64.3-42.1175.851.90000112.1S17 D18 I19 E23 Q24 E25S17-T21 WeakPolarHBondContact O-CG2 3.46Å; S17-T21 PolarHBondContact O-N 2.76Å; S17-T21 PolarHBondContact O-OG1 2.94Å; S17-T21 VanDerWaalsContact O-OG1 3.07Å; D18-T21 WeakPolarHBondContact CA-OG1 3.41Å; D18-T21 PolarHBondContact O-OG1 3.48Å; I19-T21 VanDerWaalsContact C-N 3.3Å; I19-T21 PolarHBondContact O-N 3.3Å; T21-E23 VanDerWaalsContact C-N 3.34Å; T21-E23 PolarHBondContact O-N 3.15Å; T21-Q24 PolarHBondContact O-N 3.39Å; T21-E25 PolarHBondContact O-N 3.18Å
22T97.5Very high96.8Very high3 Ų363.6 Ų63.62%0.01832%0.321CS..Hα-helixtrans-62-41.5175-56.30000111.2D18 I19 E25 I26 L111 Q114 K115D18-T22 WeakPolarHBondContact O-CB 3.46Å; D18-T22 PolarHBondContact O-N 3.44Å; D18-T22 VanDerWaalsContact O-N 3.13Å; D18-T22 PolarHBondContact O-OG1 3.41Å; I19-T22 WeakPolarHBondContact O-CB 3.31Å; I19-T22 PolarHBondContact O-N 3.2Å; I19-T22 VanDerWaalsContact O-N 3.13Å; T22-E25 PolarHBondContact O-N 2.8Å; T22-I26 HydrophobicContact CG2-CD1 4.21Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.38Å; T22-I26 PolarHBondContact O-N 3.17Å; T22-L111 HydrophobicContact CG2-CB 4.42Å; T22-L111 HydrophobicContact CG2-CD2 4.19Å; T22-Q114 HydrophobicContact CG2-CG 4.45Å; T22-Q114 PolarHBondContact OG1-NE2 2.91Å; T22-K115 HydrophobicContact CG2-CB 4.11Å
23E97.6Very high97Very high72 Ų7265.7 Ų65.734%0.33633%0.326SS..Hα-helixtrans-65.2-43.5177-73.9-176.8161.100112.5I19 E20 T21 E25 I26 I27 K115I19-E23 HydrophobicContact CG2-CG 4.21Å; I19-E23 WeakPolarHBondContact O-CG 3.43Å; I19-E23 PolarHBondContact O-N 3.44Å; E20-E23 PolarHBondContact O-N 3.14Å; T21-E23 VanDerWaalsContact C-N 3.34Å; T21-E23 PolarHBondContact O-N 3.15Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.92Å; E23-I26 PolarHBondContact O-N 3.43Å; E23-I27 VanDerWaalsContact O-CG1 3.31Å; E23-I27 WeakPolarHBondContact O-CG1 3.43Å; E23-I27 PolarHBondContact O-N 2.96Å; E23-K115 HydrophobicContact CG-CD 4.13Å; E23-K115 WeakPolarHBondContact OE1-CE 3.1Å; E23-K115 IonicContact OE1-NZ 3.88Å; E23-K115 PolarHBondContact OE1-NZ 2.88Å
24Q97.7Very high97.1Very high130 Ų13065.3 Ų65.361%0.60732%0.324SS*.Hα-helixtrans-59.9-41174.5-72.6173.76.100111.6E20 T21 I27 S28E20-Q24 VanDerWaalsContact O-CG 3.3Å; E20-Q24 WeakPolarHBondContact O-CG 3.28Å; E20-Q24 PolarHBondContact O-N 3.45Å; T21-Q24 PolarHBondContact O-N 3.39Å; Q24-I27 PolarHBondContact O-N 2.91Å; Q24-S28 PolarHBondContact O-N 2.92Å
25E97.2Very high97.2Very high68 Ų6861.2 Ų61.232%0.31831%0.313SS..Hα-helixtrans-64-45.1176.3-169.1173.8-177.100111.4T21 T22 E23 I27 S28 L29 K107 L111T21-E25 PolarHBondContact O-N 3.18Å; T22-E25 PolarHBondContact O-N 2.8Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.92Å; E25-I27 PolarHBondContact O-N 3.19Å; E25-S28 PolarHBondContact O-N 3.41Å; E25-S28 PolarHBondContact O-OG 3.29Å; E25-L29 HydrophobicContact CG-CD1 4.04Å; E25-L29 HydrophobicContact CG-CG 4.42Å; E25-L29 WeakPolarHBondContact O-CG 3.49Å; E25-L29 PolarHBondContact O-N 3.29Å; E25-K107 WeakPolarHBondContact OE1-CE 3.2Å; E25-K107 IonicContact OE1-NZ 3.23Å; E25-K107 PolarHBondContact OE1-NZ 2.92Å; E25-L111 HydrophobicContact CB-CD1 4.25Å; E25-L111 HydrophobicContact CG-CD1 3.73Å; E25-L111 WeakPolarHBondContact OE2-CD2 3.39Å
26I98Very high97.2Very high17 Ų1762.6 Ų62.69%0.08732%0.318CS..Hα-helixtrans-55.6-50.7175.4-70.5166.4000110.6T22 E23 S28 L29 E30 L108 L111 R112 K115T22-I26 HydrophobicContact CG2-CD1 4.21Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.38Å; T22-I26 PolarHBondContact O-N 3.17Å; E23-I26 PolarHBondContact O-N 3.43Å; I26-S28 VanDerWaalsContact C-N 3.27Å; I26-S28 PolarHBondContact O-N 2.9Å; I26-L29 PolarHBondContact O-N 2.83Å; I26-E30 HydrophobicContact CG2-CG 4.29Å; I26-E30 WeakPolarHBondContact O-CG 3.46Å; I26-E30 PolarHBondContact O-N 3.49Å; I26-L108 HydrophobicContact CG2-CD2 4.13Å; I26-L111 HydrophobicContact CD1-CB 4.16Å; I26-L111 HydrophobicContact CG1-CB 3.74Å; I26-L111 HydrophobicContact CG1-CD1 4.23Å; I26-R112 HydrophobicContact CD1-CG 4.41Å; I26-K115 HydrophobicContact CD1-CD 4.31Å
27I97.9Very high97.2Very high114 Ų11463.2 Ų63.259%0.58532%0.317SS*.Hα-helixtrans-58.1-42.5179.5-67.4164.2000110.9E23 Q24 E25 K31E23-I27 VanDerWaalsContact O-CG1 3.31Å; E23-I27 WeakPolarHBondContact O-CG1 3.43Å; E23-I27 PolarHBondContact O-N 2.96Å; Q24-I27 PolarHBondContact O-N 2.91Å; E25-I27 PolarHBondContact O-N 3.19Å; I27-K31 PolarHBondContact O-N 2.95Å
28S97Very high97.2Very high45 Ų4563.1 Ų63.132%0.31532%0.316SS..Hα-helixtrans-64.9-40.5179.478.10000112.6Q24 E25 I26 K31 Y32Q24-S28 PolarHBondContact O-N 2.92Å; E25-S28 PolarHBondContact O-N 3.41Å; E25-S28 PolarHBondContact O-OG 3.29Å; I26-S28 VanDerWaalsContact C-N 3.27Å; I26-S28 PolarHBondContact O-N 2.9Å; S28-K31 WeakPolarHBondContact O-CB 3.43Å; S28-K31 PolarHBondContact O-N 2.84Å; S28-Y32 WeakPolarHBondContact O-CD2 3.32Å; S28-Y32 PolarHBondContact O-N 2.84Å; S28-Y32 VanDerWaalsContact O-N 3.13Å
29L97.1Very high97.2Very high1 Ų164.3 Ų64.31%0.00533%0.325CS..Hα-helixtrans-73.6-37.4179.6-68171.8000112.2E25 I26 K31 Y32 R33 L104 K107 L108 L111 F319E25-L29 HydrophobicContact CG-CD1 4.04Å; E25-L29 HydrophobicContact CG-CG 4.42Å; E25-L29 WeakPolarHBondContact O-CG 3.49Å; E25-L29 PolarHBondContact O-N 3.29Å; I26-L29 PolarHBondContact O-N 2.83Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.35Å; L29-Y32 HydrophobicContact CD2-CD2 4.34Å; L29-Y32 PolarHBondContact O-N 2.97Å; L29-R33 WeakPolarHBondContact O-CB 3.41Å; L29-R33 PolarHBondContact O-N 3.32Å; L29-L104 HydrophobicContact CD2-CD2 3.68Å; L29-K107 HydrophobicContact CD1-CD 3.73Å; L29-K107 HydrophobicContact CD1-CG 3.92Å; L29-K107 HydrophobicContact CD2-CD 4.15Å; L29-L108 HydrophobicContact CB-CD2 3.73Å; L29-L108 HydrophobicContact CB-CG 4.11Å; L29-L108 HydrophobicContact CD1-CD2 4.34Å; L29-L111 HydrophobicContact CD1-CD1 3.29Å; L29-F319 HydrophobicContact CD2-CD2 4.42Å; L29-F319 HydrophobicContact CD2-CE2 3.76Å; L29-F319 HydrophobicContact CD2-CZ 4.34Å
30E97.3Very high97.1Very high79 Ų7964 Ų6437%0.36932%0.324SS..Hα-helixtrans-62.6-38.4173.1-73.4-178.2164.400111.3I26 R33 S34 L108 R112I26-E30 HydrophobicContact CG2-CG 4.29Å; I26-E30 WeakPolarHBondContact O-CG 3.46Å; I26-E30 PolarHBondContact O-N 3.49Å; E30-R33 WeakPolarHBondContact O-CB 3.48Å; E30-R33 PolarHBondContact O-N 3.33Å; E30-S34 PolarHBondContact O-N 3.15Å; E30-L108 HydrophobicContact CG-CD1 4.12Å; E30-L108 HydrophobicContact CG-CD2 3.84Å; E30-R112 IonicContact OE1-CZ 3.04Å; E30-R112 IonicContact OE1-NH2 3.38Å; E30-R112 PolarHBondContact OE1-NH2 3.07Å
31K97.5Very high97Very high113 Ų11363.8 Ų63.849%0.49133%0.326SS..Hα-helixtrans-60.1-49.5171.3-176.6-178.3175.6-177.10111.5I27 S28 L29 R33 S34 D35I27-K31 PolarHBondContact O-N 2.95Å; S28-K31 WeakPolarHBondContact O-CB 3.43Å; S28-K31 PolarHBondContact O-N 2.84Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.35Å; K31-R33 VanDerWaalsContact C-N 3.3Å; K31-R33 PolarHBondContact O-N 2.93Å; K31-S34 PolarHBondContact O-N 3.38Å; K31-D35 VanDerWaalsContact O-CG 3.28Å; K31-D35 PolarHBondContact O-N 3.1Å
32Y96.2Very high96.9Very high52 Ų5266.2 Ų66.220%0.20433%0.33CS..Hα-helixtrans-61.1-38.1177.9-67.5-49.8000112.9S28 L29 D35 Y36 T316 F319S28-Y32 WeakPolarHBondContact O-CD2 3.32Å; S28-Y32 PolarHBondContact O-N 2.84Å; S28-Y32 VanDerWaalsContact O-N 3.13Å; L29-Y32 HydrophobicContact CD2-CD2 4.34Å; L29-Y32 PolarHBondContact O-N 2.97Å; Y32-D35 PolarHBondContact O-N 2.96Å; Y32-Y36 WeakPolarHBondContact O-CD2 2.92Å; Y32-Y36 PolarHBondContact O-N 3.25Å; Y32-T316 HydrophobicContact CE1-CG2 4.41Å; Y32-F319 HydrophobicContact CD2-CD2 4.34Å; Y32-F319 HydrophobicContact CE2-CD2 4.22Å
33R96.5Very high96.7Very high88 Ų8866.9 Ų66.933%0.33233%0.334SS..Hα-helixtrans-60.1-50.6175.4-176-177.4-170.3-105.62.5111.2L29 E30 K31 D35 Y36 E37 L104 D105L29-R33 WeakPolarHBondContact O-CB 3.41Å; L29-R33 PolarHBondContact O-N 3.32Å; E30-R33 WeakPolarHBondContact O-CB 3.48Å; E30-R33 PolarHBondContact O-N 3.33Å; K31-R33 VanDerWaalsContact C-N 3.3Å; K31-R33 PolarHBondContact O-N 2.93Å; R33-D35 VanDerWaalsContact C-N 3.33Å; R33-D35 PolarHBondContact O-N 2.92Å; R33-Y36 PolarHBondContact O-N 3.31Å; R33-E37 IonicContact CZ-OE1 3.98Å; R33-E37 IonicContact NH1-OE1 2.64Å; R33-E37 WeakPolarHBondContact O-CG 3.36Å; R33-E37 PolarHBondContact O-N 3.48Å; R33-L104 HydrophobicContact CB-CD1 4.22Å; R33-D105 IonicContact CZ-OD1 2.69Å; R33-D105 IonicContact NE-OD1 2.8Å; R33-D105 PolarHBondContact NE-OD1 3.3Å; R33-D105 IonicContact NH2-OD1 3.45Å; R33-D105 PolarHBondContact NH2-OD1 2.99Å
34S97.3Very high96.5Very high70 Ų7067.1 Ų67.149%0.4934%0.335SS..Hα-helixtrans-60.2-41.3176.5-176.60000112.3E30 K31 Y36 E37 S38E30-S34 PolarHBondContact O-N 3.15Å; K31-S34 PolarHBondContact O-N 3.38Å; S34-Y36 PolarHBondContact O-N 3.23Å; S34-E37 PolarHBondContact O-N 3.26Å; S34-S38 WeakPolarHBondContact O-CB 3.29Å; S34-S38 PolarHBondContact O-N 3.01Å
35D97.2Very high96.2Very high71 Ų7166 Ų6638%0.3833%0.33SS..Hα-helixtrans-61.2-44176.1-71.4-23.8000111.3K31 Y32 R33 S38 V39K31-D35 VanDerWaalsContact O-CG 3.28Å; K31-D35 PolarHBondContact O-N 3.1Å; Y32-D35 PolarHBondContact O-N 2.96Å; R33-D35 VanDerWaalsContact C-N 3.33Å; R33-D35 PolarHBondContact O-N 2.92Å; D35-S38 PolarHBondContact O-N 2.91Å; D35-V39 WeakPolarHBondContact O-CB 3.31Å; D35-V39 VanDerWaalsContact O-CG2 3.27Å; D35-V39 WeakPolarHBondContact O-CG2 3.34Å; D35-V39 PolarHBondContact O-N 3.26Å
36Y97.1Very high96Very high45 Ų4564.6 Ų64.618%0.17632%0.324CS..Hα-helixtrans-65.1-40.2176.6-74.4-50.1000113.2Y32 R33 S34 V39 S40 L97 R100 L104Y32-Y36 WeakPolarHBondContact O-CD2 2.92Å; Y32-Y36 PolarHBondContact O-N 3.25Å; R33-Y36 PolarHBondContact O-N 3.31Å; S34-Y36 PolarHBondContact O-N 3.23Å; Y36-V39 PolarHBondContact O-N 3.25Å; Y36-S40 WeakPolarHBondContact O-CB 3.45Å; Y36-S40 PolarHBondContact O-N 3.49Å; Y36-L97 HydrophobicContact CD1-CD2 3.49Å; Y36-L97 VanDerWaalsContact CD1-CD2 3.49Å; Y36-L97 HydrophobicContact CE1-CD2 4.01Å; Y36-L97 HydrophobicContact CG-CD2 4.33Å; Y36-R100 HydrophobicContact CE2-CB 4.43Å; Y36-L104 HydrophobicContact CD2-CD1 3.6Å; Y36-L104 HydrophobicContact CE2-CD1 3.73Å
37E96.9Very high95.6Very high74 Ų7467.7 Ų67.735%0.34634%0.338SS..Hα-helixtrans-63.1-44.5174.7-71.5176.3-177.600111.3R33 S34 V39 S40 N41 I101R33-E37 IonicContact CZ-OE1 3.98Å; R33-E37 IonicContact NH1-OE1 2.64Å; R33-E37 WeakPolarHBondContact O-CG 3.36Å; R33-E37 PolarHBondContact O-N 3.48Å; S34-E37 PolarHBondContact O-N 3.26Å; E37-V39 PolarHBondContact O-N 2.83Å; E37-S40 PolarHBondContact O-N 3.2Å; E37-N41 VanDerWaalsContact O-CG 3.29Å; E37-N41 PolarHBondContact O-N 3Å; E37-N41 PolarHBondContact O-ND2 3.27Å; E37-I101 HydrophobicContact CG-CD1 4.04Å
38S96.9Very high95.3Very high50 Ų5070.6 Ų70.635%0.3535%0.347SS..Hα-helixtrans-59.6-44.1175.6-175.10000112S34 D35 K42S34-S38 WeakPolarHBondContact O-CB 3.29Å; S34-S38 PolarHBondContact O-N 3.01Å; D35-S38 PolarHBondContact O-N 2.91Å; S38-K42 VanDerWaalsContact O-CG 3.29Å; S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 3.44Å; S38-K42 VanDerWaalsContact O-N 3.11Å
39V95.9Very high95.1Very high64 Ų6470.3 Ų70.339%0.38835%0.345SS..Hα-helixtrans-65.5-43.9176.9169.40000111.2D35 Y36 E37 N41 K42 I43 L97D35-V39 WeakPolarHBondContact O-CB 3.31Å; D35-V39 VanDerWaalsContact O-CG2 3.27Å; D35-V39 WeakPolarHBondContact O-CG2 3.34Å; D35-V39 PolarHBondContact O-N 3.26Å; Y36-V39 PolarHBondContact O-N 3.25Å; E37-V39 PolarHBondContact O-N 2.83Å; V39-N41 PolarHBondContact O-N 3.04Å; V39-K42 PolarHBondContact O-N 3.49Å; V39-I43 HydrophobicContact CG1-CD1 3.48Å; V39-I43 VanDerWaalsContact CG1-CD1 3.48Å; V39-I43 HydrophobicContact CG1-CG1 4.25Å; V39-I43 WeakPolarHBondContact O-CB 3.5Å; V39-I43 VanDerWaalsContact O-CG1 3.27Å; V39-I43 WeakPolarHBondContact O-CG1 3.39Å; V39-I43 PolarHBondContact O-N 3.24Å; V39-L97 HydrophobicContact CG1-CD1 4.05Å
40S95.5Very high94.8Very high8 Ų874.5 Ų74.56%0.05637%0.37CS..Hα-helixtrans-57.7-48.3177.8-170.50000111.5Y36 E37 K42 I43 Q44Y36-S40 WeakPolarHBondContact O-CB 3.45Å; Y36-S40 PolarHBondContact O-N 3.49Å; E37-S40 PolarHBondContact O-N 3.2Å; S40-K42 PolarHBondContact O-N 2.85Å; S40-I43 PolarHBondContact O-N 3.46Å; S40-Q44 WeakPolarHBondContact O-CG 3.48Å; S40-Q44 PolarHBondContact O-N 3.41Å
41N95.5Very high94.6Very high104 Ų10478 Ų7856%0.55638%0.381SS*.Hα-helixtrans-62.1-43.3178.7-68-24.9000112.1E37 V39 Q44 E45E37-N41 VanDerWaalsContact O-CG 3.29Å; E37-N41 PolarHBondContact O-N 3Å; E37-N41 PolarHBondContact O-ND2 3.27Å; V39-N41 PolarHBondContact O-N 3.04Å; N41-Q44 PolarHBondContact O-N 2.91Å; N41-E45 PolarHBondContact O-N 3.33Å; N41-E45 VanDerWaalsContact O-N 3.1Å
42K94.4Very high94.4Very high122 Ų12275.9 Ų75.953%0.5337%0.372SS..Hα-helixtrans-63.3-44.1177.3-74.4172.2-175.7172.80112S38 V39 S40 Q44 E45 L46S38-K42 VanDerWaalsContact O-CG 3.29Å; S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 3.44Å; S38-K42 VanDerWaalsContact O-N 3.11Å; V39-K42 PolarHBondContact O-N 3.49Å; S40-K42 PolarHBondContact O-N 2.85Å; K42-Q44 VanDerWaalsContact C-N 3.32Å; K42-Q44 PolarHBondContact O-N 3.31Å; K42-E45 WeakPolarHBondContact O-CB 3.44Å; K42-E45 PolarHBondContact O-N 3.47Å; K42-E45 VanDerWaalsContact O-N 3.16Å; K42-L46 WeakPolarHBondContact O-CG 3.32Å; K42-L46 PolarHBondContact O-N 3.31Å
43I94.1Very high94.4Very high17 Ų1776.9 Ų76.99%0.08738%0.38CS..Hα-helixtrans-62.1-42.4178.4-74.2168.6000110.6V39 S40 E45 L46 Q47 L74 V90 T93 V94 L97V39-I43 HydrophobicContact CG1-CD1 3.48Å; V39-I43 VanDerWaalsContact CG1-CD1 3.48Å; V39-I43 HydrophobicContact CG1-CG1 4.25Å; V39-I43 WeakPolarHBondContact O-CB 3.5Å; V39-I43 VanDerWaalsContact O-CG1 3.27Å; V39-I43 WeakPolarHBondContact O-CG1 3.39Å; V39-I43 PolarHBondContact O-N 3.24Å; S40-I43 PolarHBondContact O-N 3.46Å; I43-E45 PolarHBondContact O-N 3.01Å; I43-L46 PolarHBondContact O-N 3.29Å; I43-L46 VanDerWaalsContact O-N 3.15Å; I43-Q47 PolarHBondContact O-N 2.96Å; I43-Q47 VanDerWaalsContact O-N 3.09Å; I43-L74 HydrophobicContact CB-CD1 4.31Å; I43-L74 HydrophobicContact CD1-CD1 3.64Å; I43-L74 HydrophobicContact CG1-CD1 3.75Å; I43-L74 HydrophobicContact CG2-CD1 3.61Å; I43-V90 HydrophobicContact CG2-CB 4.16Å; I43-V90 HydrophobicContact CG2-CG1 3.38Å; I43-V90 HydrophobicContact CG2-CG2 3.99Å; I43-T93 HydrophobicContact CD1-CG2 3.95Å; I43-V94 HydrophobicContact CG2-CG2 4.2Å; I43-L97 HydrophobicContact CD1-CD1 4.04Å
44Q93.2Very high94.2Very high78 Ų7873.9 Ų73.936%0.36438%0.375SS..Hα-helixtrans-65.7-24.7176.3-72.9180-4.800113.7S40 N41 K42 Q47 V94S40-Q44 WeakPolarHBondContact O-CG 3.48Å; S40-Q44 PolarHBondContact O-N 3.41Å; N41-Q44 PolarHBondContact O-N 2.91Å; K42-Q44 VanDerWaalsContact C-N 3.32Å; K42-Q44 PolarHBondContact O-N 3.31Å; Q44-Q47 VanDerWaalsContact O-CG 3.29Å; Q44-Q47 WeakPolarHBondContact O-CG 3.46Å; Q44-Q47 PolarHBondContact O-NE2 3.03Å; Q44-V94 HydrophobicContact CG-CG2 4.11Å
45E92.5Very high94.2Very high105 Ų10577.8 Ų77.849%0.49138%0.38SS..Hα-helixtrans-76.3-42.5170.6-165.7-160.9136.900111.2N41 K42 I43 Q47 K48 K52N41-E45 PolarHBondContact O-N 3.33Å; N41-E45 VanDerWaalsContact O-N 3.1Å; K42-E45 WeakPolarHBondContact O-CB 3.44Å; K42-E45 PolarHBondContact O-N 3.47Å; K42-E45 VanDerWaalsContact O-N 3.16Å; I43-E45 PolarHBondContact O-N 3.01Å; E45-Q47 PolarHBondContact O-N 3.03Å; E45-K48 PolarHBondContact O-N 3.3Å; E45-K52 IonicContact OE1-NZ 3.16Å; E45-K52 PolarHBondContact OE1-NZ 3.09Å
46L91.4Very high94Very high39 Ų3978 Ų7820%0.20438%0.38CS..Hα-helixtrans-66.1-33.9-176.8-71174.9000113.6K42 I43 K48 S49 K52 L68 T71K42-L46 WeakPolarHBondContact O-CG 3.32Å; K42-L46 PolarHBondContact O-N 3.31Å; I43-L46 PolarHBondContact O-N 3.29Å; I43-L46 VanDerWaalsContact O-N 3.15Å; L46-K48 PolarHBondContact O-N 3.17Å; L46-S49 PolarHBondContact O-N 3Å; L46-S49 PolarHBondContact O-OG 3.47Å; L46-K52 HydrophobicContact CD2-CD 3.44Å; L46-K52 VanDerWaalsContact CD2-CD 3.44Å; L46-L68 HydrophobicContact CD2-CD1 4.02Å; L46-T71 WeakPolarHBondContact O-CB 3.42Å; L46-T71 PolarHBondContact O-OG1 3.09Å
47Q91.3Very high93.9Very high82 Ų8280.7 Ų80.738%0.38340%0.403SS..THydrogen-bonded Turntrans-61.7-15.5179.674.1-172.5-25.600114.2I43 Q44 E45 S49 N72 V90I43-Q47 PolarHBondContact O-N 2.96Å; I43-Q47 VanDerWaalsContact O-N 3.09Å; Q44-Q47 VanDerWaalsContact O-CG 3.29Å; Q44-Q47 WeakPolarHBondContact O-CG 3.46Å; Q44-Q47 PolarHBondContact O-NE2 3.03Å; E45-Q47 PolarHBondContact O-N 3.03Å; Q47-S49 PolarHBondContact O-N 2.96Å; Q47-N72 WeakPolarHBondContact CA-OD1 3.48Å; Q47-N72 PolarHBondContact O-OD1 2.84Å; Q47-V90 HydrophobicContact CB-CB 4.26Å; Q47-V90 HydrophobicContact CB-CG1 3.89Å; Q47-V90 HydrophobicContact CB-CG2 4.14Å; Q47-V90 HydrophobicContact CG-CG1 4.46Å; Q47-V90 VanDerWaalsContact OE1-CG1 3.3Å
48K91.2Very high93.6Very high176 Ų17685.2 Ų85.277%0.76542%0.422SS*.THydrogen-bonded Turntrans-74-15.8-178.1-63.6179.6-179.41770113.3E45 L46E45-K48 PolarHBondContact O-N 3.3Å; L46-K48 PolarHBondContact O-N 3.17Å
49S91.2Very high93.5Very high39 Ų3986.3 Ų86.327%0.27343%0.43SS..  trans-136.2125.3-174.357.70000109.9L46 Q47 Y51 T71L46-S49 PolarHBondContact O-N 3Å; L46-S49 PolarHBondContact O-OG 3.47Å; Q47-S49 PolarHBondContact O-N 2.96Å; S49-Y51 WeakPolarHBondContact CB-O 3.35Å; S49-Y51 PolarHBondContact O-N 2.85Å; S49-T71 VanDerWaalsContact O-CB 3.31Å; S49-T71 WeakPolarHBondContact O-CB 3.34Å; S49-T71 VanDerWaalsContact O-CG2 3.31Å; S49-T71 WeakPolarHBondContact O-CG2 3.41Å; S49-T71 PolarHBondContact O-OG1 2.98Å
50V91Very high93.3Very high88 Ų8895.4 Ų95.453%0.53346%0.457SS..SBendtrans-61.8-30.4179.6-179.90000112.6H70 T71V50-H70 PolarHBondContact O-N 3.09Å; V50-T71 PolarHBondContact O-OG1 2.87Å
51Y93.5Very high93.3Very high154 Ų154104.2 Ų104.260%0.60449%0.494SS*.EExtended strand (participates in β ladder)trans-132.8144.6175.254.6-90.7000110.6S49 L68S49-Y51 WeakPolarHBondContact CB-O 3.35Å; S49-Y51 PolarHBondContact O-N 2.85Å; Y51-L68 WeakPolarHBondContact CA-O 3.49Å
52K94Very high93.3Very high67 Ų67101.1 Ų101.129%0.29148%0.483SS..EExtended strand (participates in β ladder)trans-144.1124.9176.8-165.9176.8-172.8174.20110.2E45 L46 L68E45-K52 IonicContact OE1-NZ 3.16Å; E45-K52 PolarHBondContact OE1-NZ 3.09Å; L46-K52 HydrophobicContact CD2-CD 3.44Å; L46-K52 VanDerWaalsContact CD2-CD 3.44Å; K52-L68 PolarHBondContact N-O 3.16Å; K52-L68 VanDerWaalsContact N-O 3.12Å; K52-L68 WeakPolarHBondContact O-CB 3.29Å; K52-L68 PolarHBondContact O-N 3.21Å
53D95.5Very high93.4Very high73 Ų73101 Ų10139%0.3949%0.488SS..EExtended strand (participates in β ladder)trans-65.8135.7172.1-72.3-6.3000109.5R65 G66 R67D53-R65 IonicContact OD2-CZ 3.81Å; D53-R65 IonicContact OD2-NH2 2.92Å; D53-R65 PolarHBondContact OD2-NH2 3.26Å; D53-G66 WeakPolarHBondContact CA-O 3.39Å; D53-R67 IonicContact OD1-CZ 3.71Å; D53-R67 IonicContact OD1-NE 3.65Å; D53-R67 PolarHBondContact OD1-NE 3.43Å; D53-R67 IonicContact OD1-NH2 3.01Å; D53-R67 PolarHBondContact OD1-NH2 3.41Å
54A93.2Very high93.5Very high25 Ų25103.9 Ų103.921%0.20751%0.506CS..EExtended strand (participates in β ladder)trans-145.8152.9-176.500000112G66 L68A54-G66 PolarHBondContact N-O 2.99Å; A54-G66 PolarHBondContact O-N 3.09Å; A54-G66 VanDerWaalsContact O-O 3.04Å; A54-L68 HydrophobicContact CB-CD1 4.18Å; A54-L68 HydrophobicContact CB-CD2 4.34Å; A54-L68 HydrophobicContact CB-CG 3.94Å
55Y96.1Very high93.7Very high152 Ų152107 Ų10760%0.59651%0.514SS*.EExtended strand (participates in β ladder)trans-93.2117.8165.9-73.8-86.3000108.7L63 V64 R65Y55-L63 HydrophobicContact CD1-CB 4.37Å; Y55-V64 WeakPolarHBondContact CA-O 3.48Å; Y55-R65 HydrophobicContact CD1-CB 4.25Å; Y55-R65 HydrophobicContact CE1-CB 4Å; Y55-R65 HydrophobicContact CE1-CG 4.46Å
56I93.9Very high93.8Very high77 Ų77103.1 Ų103.140%0.39550%0.503SS..EExtended strand (participates in β ladder)trans-100.9127.1-173.7-59.1165.7000108.5F58 L63 V64I56-F58 PolarHBondContact O-N 3Å; I56-L63 WeakPolarHBondContact O-CA 3.31Å; I56-V64 PolarHBondContact N-O 2.89Å; I56-V64 PolarHBondContact O-N 3.27Å
57P95Very high94Very high100 Ų100108.3 Ų108.365%0.64952%0.519SS*.EExtended strand (participates in β ladder)trans-67.6114.9174.628.1-32.8000109.9L63P57-L63 HydrophobicContact CB-CD2 4.07Å
58F91.3Very high94.1Very high169 Ų169107.2 Ų107.274%0.74152%0.516SS*.EExtended strand (participates in β ladder)trans-94.6-33.1175-178.7-102.8000111.4I56 A62 V64I56-F58 PolarHBondContact O-N 3Å; F58-A62 PolarHBondContact N-O 3.36Å; F58-V64 HydrophobicContact CB-CG2 3.76Å; F58-V64 HydrophobicContact CG-CG2 4.24Å
59S94.2Very high94.2Very high74 Ų74104.6 Ų104.652%0.51751%0.509SS..EExtended strand (participates in β ladder)trans-150.3172.4175-178.30000110K61 A62S59-K61 PolarHBondContact O-N 2.7Å; S59-A62 PolarHBondContact N-O 2.97Å; S59-A62 PolarHBondContact O-N 3.38Å; S59-A62 VanDerWaalsContact O-N 3.11Å
60R92.4Very high94.3Very high255 Ų255108.2 Ų108.296%0.96252%0.521SS*.THydrogen-bonded Turntrans-52.7-30.1-177.3-64.3-175.4-177.7-172.6-0.1113.9
61K94.2Very high94.4Very high192 Ų192104.4 Ų104.484%0.83550%0.499SS*.THydrogen-bonded Turntrans-121.312.6-178.7-61.4-175.9178.3-179.60113.6S59S59-K61 PolarHBondContact O-N 2.7Å
62A95.8Very high94.4Very high40 Ų40100.4 Ų100.433%0.33149%0.488SS..EExtended strand (participates in β ladder)trans-133.3127.9-173.400000112.2F58 S59F58-A62 PolarHBondContact N-O 3.36Å; S59-A62 PolarHBondContact N-O 2.97Å; S59-A62 PolarHBondContact O-N 3.38Å; S59-A62 VanDerWaalsContact O-N 3.11Å
63L96.5Very high94.4Very high118 Ų118102.9 Ų102.962%0.61850%0.5SS*.EExtended strand (participates in β ladder)trans-115.7133.5174.7-58.8-179.7000109.5Y55 I56 P57Y55-L63 HydrophobicContact CD1-CB 4.37Å; I56-L63 WeakPolarHBondContact O-CA 3.31Å; P57-L63 HydrophobicContact CB-CD2 4.07Å
64V96.5Very high94.3Very high78 Ų78101.2 Ų101.247%0.47349%0.491SS..EExtended strand (participates in β ladder)trans-109.2132.8176.6176.90000108.8Y55 I56 F58Y55-V64 WeakPolarHBondContact CA-O 3.48Å; I56-V64 PolarHBondContact N-O 2.89Å; I56-V64 PolarHBondContact O-N 3.27Å; F58-V64 HydrophobicContact CB-CG2 3.76Å; F58-V64 HydrophobicContact CG-CG2 4.24Å
65R96.9Very high94.4Very high144 Ų144104.9 Ų104.954%0.54351%0.507SS..EExtended strand (participates in β ladder)trans-75.7126.8174.1-176.8162.1167.675.67.9109.5D53 Y55D53-R65 IonicContact OD2-CZ 3.81Å; D53-R65 IonicContact OD2-NH2 2.92Å; D53-R65 PolarHBondContact OD2-NH2 3.26Å; Y55-R65 HydrophobicContact CD1-CB 4.25Å; Y55-R65 HydrophobicContact CE1-CB 4Å; Y55-R65 HydrophobicContact CE1-CG 4.46Å
66G95.2Very high94.4Very high24 Ų2498.3 Ų98.325%0.24748%0.483CS..EExtended strand (participates in β ladder)trans-146-174.2177.800000111.9D53 A54D53-G66 WeakPolarHBondContact CA-O 3.39Å; A54-G66 PolarHBondContact N-O 2.99Å; A54-G66 PolarHBondContact O-N 3.09Å; A54-G66 VanDerWaalsContact O-O 3.04Å
67R94.7Very high94.4Very high147 Ų14796.6 Ų96.656%0.55547%0.471SS*.EExtended strand (participates in β ladder)trans-128.9126.4176-179.6178.4-68.9173.31.8109.2D53D53-R67 IonicContact OD1-CZ 3.71Å; D53-R67 IonicContact OD1-NE 3.65Å; D53-R67 PolarHBondContact OD1-NE 3.43Å; D53-R67 IonicContact OD1-NH2 3.01Å; D53-R67 PolarHBondContact OD1-NH2 3.41Å
68L94.1Very high94.3Very high59 Ų5995 Ų9531%0.30946%0.457SS..EExtended strand (participates in β ladder)trans-71130.6169-55.5-179.7000108.4L46 Y51 K52 A54 T71L46-L68 HydrophobicContact CD2-CD1 4.02Å; Y51-L68 WeakPolarHBondContact CA-O 3.49Å; K52-L68 PolarHBondContact N-O 3.16Å; K52-L68 VanDerWaalsContact N-O 3.12Å; K52-L68 WeakPolarHBondContact O-CB 3.29Å; K52-L68 PolarHBondContact O-N 3.21Å; A54-L68 HydrophobicContact CB-CD1 4.18Å; A54-L68 HydrophobicContact CB-CD2 4.34Å; A54-L68 HydrophobicContact CB-CG 3.94Å; L68-T71 HydrophobicContact CB-CG2 4.13Å
69I94Very high94.1Very high122 Ų12287.1 Ų87.163%0.62642%0.424SS*.EExtended strand (participates in β ladder)trans-120.4143.8177.9-54.3172.5000106.7
70H93.2Very high93.6Very high114 Ų11485.2 Ų85.253%0.52842%0.415SS..  trans57.648.9-176.8-50.8141.5000113.2V50 N72 E73V50-H70 PolarHBondContact O-N 3.09Å; H70-N72 PolarHBondContact O-N 3.34Å; H70-E73 HydrophobicContact CB-CB 4.4Å; H70-E73 PolarHBondContact O-N 3.46Å; H70-E73 VanDerWaalsContact O-O 3.06Å
71T93.5Very high93.3Very high9 Ų978.2 Ų78.26%0.05540%0.401CS..THydrogen-bonded Turntrans-55.7-16175.7540000115.1L46 S49 V50 L68 E73 V90L46-T71 WeakPolarHBondContact O-CB 3.42Å; L46-T71 PolarHBondContact O-OG1 3.09Å; S49-T71 VanDerWaalsContact O-CB 3.31Å; S49-T71 WeakPolarHBondContact O-CB 3.34Å; S49-T71 VanDerWaalsContact O-CG2 3.31Å; S49-T71 WeakPolarHBondContact O-CG2 3.41Å; S49-T71 PolarHBondContact O-OG1 2.98Å; V50-T71 PolarHBondContact O-OG1 2.87Å; L68-T71 HydrophobicContact CB-CG2 4.13Å; T71-E73 VanDerWaalsContact C-N 3.34Å; T71-V90 VanDerWaalsContact O-CG2 3.31Å; T71-V90 WeakPolarHBondContact O-CG2 3.46Å
72N92.5Very high92.8Very high69 Ų6973.6 Ų73.637%0.36939%0.386SS..THydrogen-bonded Turntrans-83.6-10176.9-65.7-19.3000113.4Q47 H70 S89 V90Q47-N72 WeakPolarHBondContact CA-OD1 3.48Å; Q47-N72 PolarHBondContact O-OD1 2.84Å; H70-N72 PolarHBondContact O-N 3.34Å; N72-S89 CarbonylContact O-C 3.6Å; N72-S89 WeakPolarHBondContact O-CA 3.45Å; N72-V90 PolarHBondContact O-N 3.28Å
73E93.2Very high92.4Very high119 Ų11976.5 Ų76.556%0.55640%0.396SS*.EExtended strand (participates in β ladder)trans-121127.6-178.7-6417618000109.1H70 T71 L88H70-E73 HydrophobicContact CB-CB 4.4Å; H70-E73 PolarHBondContact O-N 3.46Å; H70-E73 VanDerWaalsContact O-O 3.06Å; T71-E73 VanDerWaalsContact C-N 3.34Å; E73-L88 WeakPolarHBondContact CA-O 3.37Å
74L94.6Very high92.1Very high38 Ų3875.5 Ų75.520%0.19939%0.385CS..EExtended strand (participates in β ladder)trans-126.1135.6-174.4-62.2175.7000110.1I43 V76 E87 L88 V90 T93I43-L74 HydrophobicContact CB-CD1 4.31Å; I43-L74 HydrophobicContact CD1-CD1 3.64Å; I43-L74 HydrophobicContact CG1-CD1 3.75Å; I43-L74 HydrophobicContact CG2-CD1 3.61Å; L74-V76 HydrophobicContact CB-CG2 4.07Å; L74-V76 PolarHBondContact O-N 3.34Å; L74-E87 CarbonylContact O-C 3.6Å; L74-E87 WeakPolarHBondContact O-CA 3.41Å; L74-L88 PolarHBondContact N-O 3.49Å; L74-L88 PolarHBondContact O-N 3.5Å; L74-V90 HydrophobicContact CD1-CG2 3.98Å; L74-V90 HydrophobicContact CG-CG2 4.19Å; L74-T93 HydrophobicContact CD1-CG2 3.86Å
75L95.4Very high92Very high102 Ų10275.7 Ų75.753%0.53438%0.379SS..EExtended strand (participates in β ladder)trans-81.4110.4167.7-173.467.4000108.8F85 E87L75-F85 HydrophobicContact CD1-CB 3.76Å; L75-F85 HydrophobicContact CD2-CD1 4.39Å; L75-F85 HydrophobicContact CG-CB 4.13Å; L75-F85 HydrophobicContact CG-CD1 4.15Å; L75-E87 HydrophobicContact CD1-CG 4.1Å
76V95.2Very high91.9Very high15 Ų1569.3 Ų69.39%0.09136%0.357CS..EExtended strand (participates in β ladder)trans-110.8129.4-175-1740000110.6L74 L78 F85 A86 L88 T93 L96L74-V76 HydrophobicContact CB-CG2 4.07Å; L74-V76 PolarHBondContact O-N 3.34Å; V76-L78 PolarHBondContact O-N 2.88Å; V76-F85 WeakPolarHBondContact O-CA 3.32Å; V76-A86 PolarHBondContact N-O 2.9Å; V76-A86 PolarHBondContact O-N 2.91Å; V76-L88 HydrophobicContact CB-CD1 4.02Å; V76-L88 HydrophobicContact CG1-CD1 4.47Å; V76-L88 HydrophobicContact CG2-CB 4.21Å; V76-L88 HydrophobicContact CG2-CD1 4.05Å; V76-L88 HydrophobicContact CG2-CG 4.4Å; V76-T93 HydrophobicContact CG2-CG2 3.65Å; V76-T93 WeakPolarHBondContact CG2-OG1 3.32Å; V76-L96 HydrophobicContact CG1-CD2 3.68Å
77Y94.1Very high91.9Very high40 Ų4074.2 Ų74.216%0.15737%0.374CS..EExtended strand (participates in β ladder)trans-70.7117.6169.6-178.9-112000109.6D83 F85 R100 P318Y77-D83 HydrophobicContact CE2-CB 4.01Å; Y77-D83 WeakPolarHBondContact CE2-OD1 3.43Å; Y77-D83 PolarHBondContact OH-OD1 3.41Å; Y77-F85 HydrophobicContact CD2-CD1 4.21Å; Y77-F85 HydrophobicContact CD2-CD2 4.33Å; Y77-F85 AromaticContact CD2-CE1 3.73Å; Y77-F85 HydrophobicContact CD2-CE1 3.73Å; Y77-F85 AromaticContact CD2-CE2 3.85Å; Y77-F85 HydrophobicContact CD2-CE2 3.85Å; Y77-F85 HydrophobicContact CD2-CG 4.5Å; Y77-F85 AromaticContact CD2-CZ 3.52Å; Y77-F85 HydrophobicContact CD2-CZ 3.52Å; Y77-F85 HydrophobicContact CE2-CE2 4.33Å; Y77-F85 HydrophobicContact CE2-CZ 4.25Å; Y77-F85 HydrophobicContact CG-CE1 4.16Å; Y77-F85 HydrophobicContact CG-CZ 4.33Å; Y77-R100 PolarHBondContact O-NH1 3.35Å; Y77-R100 VanDerWaalsContact O-NH1 3.12Å; Y77-R100 PolarHBondContact O-NH2 3.19Å; Y77-P318 HydrophobicContact CD1-CB 4.03Å; Y77-P318 HydrophobicContact CD1-CG 4.5Å; Y77-P318 HydrophobicContact CE1-CB 3.77Å; Y77-P318 HydrophobicContact CE1-CG 3.95Å
78L92Very high91.9Very high66 Ų6668.1 Ų68.135%0.34635%0.352SS..EExtended strand (participates in β ladder)trans-85.2-30.1-179.1-64.8-176.6000112.4V76 Y84 A86 L88 L96 R100V76-L78 PolarHBondContact O-N 2.88Å; L78-Y84 PolarHBondContact N-O 3.14Å; L78-A86 HydrophobicContact CD1-CB 3.69Å; L78-A86 HydrophobicContact CD2-CB 4.38Å; L78-A86 HydrophobicContact CG-CB 4.05Å; L78-L88 HydrophobicContact CD2-CD1 4.36Å; L78-L96 HydrophobicContact CD2-CD2 3.93Å; L78-R100 PolarHBondContact O-NH2 3.4Å
79G87.5Confident91.9Very high5 Ų567.9 Ų67.95%0.05236%0.356CS..EExtended strand (participates in β ladder)trans96-158.9-173.100000112.8
80G83.2Confident92Very high33 Ų3362.3 Ų62.334%0.3433%0.327SS..THydrogen-bonded Turntrans86.5-179.1-173.200000113.6N82G80-N82 VanDerWaalsContact C-N 3.26Å; G80-N82 PolarHBondContact O-N 3Å
81T86.4Confident92Very high109 Ų10964.3 Ų64.367%0.66933%0.331SS*.THydrogen-bonded Turntrans-70.3-19.9-174.4560000114.3
82N85.2Confident92.2Very high94 Ų9466.8 Ų66.850%0.50334%0.344SS..THydrogen-bonded Turntrans-116.723.2-167.6-57.3-13.1000113.1G80 Y84G80-N82 VanDerWaalsContact C-N 3.26Å; G80-N82 PolarHBondContact O-N 3Å; N82-Y84 HydrophobicContact CB-CD2 4.17Å; N82-Y84 HydrophobicContact CB-CE1 4.17Å; N82-Y84 HydrophobicContact CB-CE2 3.57Å; N82-Y84 PolarHBondContact ND2-OH 3.33Å; N82-Y84 PolarHBondContact O-N 3.42Å
83D86.6Confident92.3Very high101 Ų10163.7 Ų63.754%0.5433%0.327SS..THydrogen-bonded Turntrans4656.5177.4-68.5-37.3000114.5Y77 F85Y77-D83 HydrophobicContact CE2-CB 4.01Å; Y77-D83 WeakPolarHBondContact CE2-OD1 3.43Å; Y77-D83 PolarHBondContact OH-OD1 3.41Å; D83-F85 VanDerWaalsContact O-CD2 3.28Å; D83-F85 WeakPolarHBondContact O-CD2 3.4Å
84Y90.5Very high92.4Very high98 Ų9858.9 Ų58.938%0.38431%0.306SS..EExtended strand (participates in β ladder)trans-75.8134.7-178-68.8-63.3000112.5L78 N82 L349L78-Y84 PolarHBondContact N-O 3.14Å; N82-Y84 HydrophobicContact CB-CD2 4.17Å; N82-Y84 HydrophobicContact CB-CE1 4.17Å; N82-Y84 HydrophobicContact CB-CE2 3.57Å; N82-Y84 PolarHBondContact ND2-OH 3.33Å; N82-Y84 PolarHBondContact O-N 3.42Å; Y84-L349 HydrophobicContact CE1-CD2 4.27Å
85F94.4Very high92.5Very high81 Ų8160.1 Ų60.136%0.35531%0.311SS..EExtended strand (participates in β ladder)trans-115.7146.1169.1-65.5-96.5000109.9L75 V76 Y77 D83L75-F85 HydrophobicContact CD1-CB 3.76Å; L75-F85 HydrophobicContact CD2-CD1 4.39Å; L75-F85 HydrophobicContact CG-CB 4.13Å; L75-F85 HydrophobicContact CG-CD1 4.15Å; V76-F85 WeakPolarHBondContact O-CA 3.32Å; Y77-F85 HydrophobicContact CD2-CD1 4.21Å; Y77-F85 HydrophobicContact CD2-CD2 4.33Å; Y77-F85 AromaticContact CD2-CE1 3.73Å; Y77-F85 HydrophobicContact CD2-CE1 3.73Å; Y77-F85 AromaticContact CD2-CE2 3.85Å; Y77-F85 HydrophobicContact CD2-CE2 3.85Å; Y77-F85 HydrophobicContact CD2-CG 4.5Å; Y77-F85 AromaticContact CD2-CZ 3.52Å; Y77-F85 HydrophobicContact CD2-CZ 3.52Å; Y77-F85 HydrophobicContact CE2-CE2 4.33Å; Y77-F85 HydrophobicContact CE2-CZ 4.25Å; Y77-F85 HydrophobicContact CG-CE1 4.16Å; Y77-F85 HydrophobicContact CG-CZ 4.33Å; D83-F85 VanDerWaalsContact O-CD2 3.28Å; D83-F85 WeakPolarHBondContact O-CD2 3.4Å
86A93.6Very high92.5Very high11 Ų1157.1 Ų57.19%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-135140.817400000110.6V76 L78 L88V76-A86 PolarHBondContact N-O 2.9Å; V76-A86 PolarHBondContact O-N 2.91Å; L78-A86 HydrophobicContact CD1-CB 3.69Å; L78-A86 HydrophobicContact CD2-CB 4.38Å; L78-A86 HydrophobicContact CG-CB 4.05Å; A86-L88 HydrophobicContact CB-CD2 4.4Å; A86-L88 HydrophobicContact CB-CG 4.36Å; A86-L88 PolarHBondContact O-N 3.34Å
87E95.8Very high92.6Very high126 Ų12656.9 Ų56.959%0.58929%0.293SS*.EExtended strand (participates in β ladder)trans-75.9119.6166.9-68.7170.4-177.100108.1L74 L75L74-E87 CarbonylContact O-C 3.6Å; L74-E87 WeakPolarHBondContact O-CA 3.41Å; L75-E87 HydrophobicContact CD1-CG 4.1Å
88L95.2Very high92.7Very high19 Ų1958.5 Ų58.510%0.09931%0.305CS..EExtended strand (participates in β ladder)trans-126.1150.2-178.7-65.1-178.7000110.2E73 L74 V76 L78 A86 D92 L96E73-L88 WeakPolarHBondContact CA-O 3.37Å; L74-L88 PolarHBondContact N-O 3.49Å; L74-L88 PolarHBondContact O-N 3.5Å; V76-L88 HydrophobicContact CB-CD1 4.02Å; V76-L88 HydrophobicContact CG1-CD1 4.47Å; V76-L88 HydrophobicContact CG2-CB 4.21Å; V76-L88 HydrophobicContact CG2-CD1 4.05Å; V76-L88 HydrophobicContact CG2-CG 4.4Å; L78-L88 HydrophobicContact CD2-CD1 4.36Å; A86-L88 HydrophobicContact CB-CD2 4.4Å; A86-L88 HydrophobicContact CB-CG 4.36Å; A86-L88 PolarHBondContact O-N 3.34Å; L88-D92 HydrophobicContact CB-CB 4.26Å; L88-L96 HydrophobicContact CD1-CD2 4.16Å
89S94.6Very high92.9Very high55 Ų5562.6 Ų62.639%0.38532%0.316SS..EExtended strand (participates in β ladder)trans-61152.3164.8169.20000110.2N72 Y91 D92 T93N72-S89 CarbonylContact O-C 3.6Å; N72-S89 WeakPolarHBondContact O-CA 3.45Å; S89-Y91 PolarHBondContact O-N 3.31Å; S89-Y91 PolarHBondContact OG-N 2.86Å; S89-D92 PolarHBondContact O-N 3.36Å; S89-T93 WeakPolarHBondContact O-CB 3.47Å; S89-T93 PolarHBondContact O-N 3.45Å; S89-T93 PolarHBondContact O-OG1 2.99Å
90V94.9Very high93.4Very high4 Ų463.8 Ų63.82%0.02432%0.318CS..Hα-helixtrans-51.5-42.2169.7166.90000111.4I43 Q47 T71 N72 L74 D92 T93 V94I43-V90 HydrophobicContact CG2-CB 4.16Å; I43-V90 HydrophobicContact CG2-CG1 3.38Å; I43-V90 HydrophobicContact CG2-CG2 3.99Å; Q47-V90 HydrophobicContact CB-CB 4.26Å; Q47-V90 HydrophobicContact CB-CG1 3.89Å; Q47-V90 HydrophobicContact CB-CG2 4.14Å; Q47-V90 HydrophobicContact CG-CG1 4.46Å; Q47-V90 VanDerWaalsContact OE1-CG1 3.3Å; T71-V90 VanDerWaalsContact O-CG2 3.31Å; T71-V90 WeakPolarHBondContact O-CG2 3.46Å; N72-V90 PolarHBondContact O-N 3.28Å; L74-V90 HydrophobicContact CD1-CG2 3.98Å; L74-V90 HydrophobicContact CG-CG2 4.19Å; V90-D92 PolarHBondContact O-N 3.5Å; V90-T93 WeakPolarHBondContact O-CB 3.04Å; V90-T93 PolarHBondContact O-N 2.89Å; V90-V94 HydrophobicContact CG1-CG2 4.25Å; V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 2.99Å
91Y94.7Very high94Very high157 Ų15763 Ų6362%0.61631%0.307SS*.Hα-helixtrans-60.5-47.5179.9176-109.8000112.2S89 T93 V94 Q95S89-Y91 PolarHBondContact O-N 3.31Å; S89-Y91 PolarHBondContact OG-N 2.86Å; Y91-T93 VanDerWaalsContact C-N 3.31Å; Y91-T93 PolarHBondContact O-N 3.36Å; Y91-V94 PolarHBondContact O-N 2.92Å; Y91-Q95 VanDerWaalsContact CD1-NE2 3.29Å; Y91-Q95 PolarHBondContact O-N 3.35Å; Y91-Q95 VanDerWaalsContact O-N 3.14Å
92D95.9Very high94.5Very high60 Ų6064.8 Ų64.832%0.32131%0.305SS..Hα-helixtrans-65-38176.9-75.4-6.1000111.5L88 S89 V90 Q95 L96L88-D92 HydrophobicContact CB-CB 4.26Å; S89-D92 PolarHBondContact O-N 3.36Å; V90-D92 PolarHBondContact O-N 3.5Å; D92-Q95 PolarHBondContact O-N 3.2Å; D92-L96 WeakPolarHBondContact O-CB 3.36Å; D92-L96 PolarHBondContact O-N 3.24Å
93T95.9Very high95.1Very high4 Ų467.5 Ų67.53%0.02531%0.308CS..Hα-helixtrans-64.2-46178.5-56.40000111.3I43 L74 V76 S89 V90 Y91 Q95 L96 L97I43-T93 HydrophobicContact CD1-CG2 3.95Å; L74-T93 HydrophobicContact CD1-CG2 3.86Å; V76-T93 HydrophobicContact CG2-CG2 3.65Å; V76-T93 WeakPolarHBondContact CG2-OG1 3.32Å; S89-T93 WeakPolarHBondContact O-CB 3.47Å; S89-T93 PolarHBondContact O-N 3.45Å; S89-T93 PolarHBondContact O-OG1 2.99Å; V90-T93 WeakPolarHBondContact O-CB 3.04Å; V90-T93 PolarHBondContact O-N 2.89Å; Y91-T93 VanDerWaalsContact C-N 3.31Å; Y91-T93 PolarHBondContact O-N 3.36Å; T93-Q95 VanDerWaalsContact C-N 3.32Å; T93-Q95 PolarHBondContact O-N 2.93Å; T93-L96 WeakPolarHBondContact O-CB 3.39Å; T93-L96 PolarHBondContact O-N 2.97Å; T93-L97 HydrophobicContact CG2-CD1 4.34Å; T93-L97 WeakPolarHBondContact O-CG 3.39Å; T93-L97 PolarHBondContact O-N 2.95Å
94V95.8Very high95.5Very high19 Ų1963 Ų6312%0.11528%0.284CS..Hα-helixtrans-61.2-42.3176.6170.70000110.6I43 Q44 V90 Y91 L96 L97 N98I43-V94 HydrophobicContact CG2-CG2 4.2Å; Q44-V94 HydrophobicContact CG-CG2 4.11Å; V90-V94 HydrophobicContact CG1-CG2 4.25Å; V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 2.99Å; Y91-V94 PolarHBondContact O-N 2.92Å; V94-L96 PolarHBondContact O-N 3.5Å; V94-L97 PolarHBondContact O-N 3.12Å; V94-N98 WeakPolarHBondContact O-CB 3.25Å; V94-N98 VanDerWaalsContact O-CG 3.23Å; V94-N98 PolarHBondContact O-N 3.42Å; V94-N98 PolarHBondContact O-ND2 2.94Å
95Q95.9Very high95.9Very high64 Ų6460.5 Ų60.530%0.29928%0.277SS..Hα-helixtrans-62.1-41.7174.5-74.8-176.472.300112.6Y91 D92 T93 N98 R99Y91-Q95 VanDerWaalsContact CD1-NE2 3.29Å; Y91-Q95 PolarHBondContact O-N 3.35Å; Y91-Q95 VanDerWaalsContact O-N 3.14Å; D92-Q95 PolarHBondContact O-N 3.2Å; T93-Q95 VanDerWaalsContact C-N 3.32Å; T93-Q95 PolarHBondContact O-N 2.93Å; Q95-N98 PolarHBondContact O-N 3.34Å; Q95-R99 WeakPolarHBondContact O-CG 3.49Å; Q95-R99 PolarHBondContact O-N 3.46Å
96L96.1Very high96Very high39 Ų3962.6 Ų62.620%0.20429%0.291CS..Hα-helixtrans-62.9-44176.4-179.964.8000111.4V76 L78 L88 D92 T93 V94 R99 R100V76-L96 HydrophobicContact CG1-CD2 3.68Å; L78-L96 HydrophobicContact CD2-CD2 3.93Å; L88-L96 HydrophobicContact CD1-CD2 4.16Å; D92-L96 WeakPolarHBondContact O-CB 3.36Å; D92-L96 PolarHBondContact O-N 3.24Å; T93-L96 WeakPolarHBondContact O-CB 3.39Å; T93-L96 PolarHBondContact O-N 2.97Å; V94-L96 PolarHBondContact O-N 3.5Å; L96-R99 WeakPolarHBondContact O-CB 3.45Å; L96-R99 PolarHBondContact O-N 2.94Å; L96-R100 WeakPolarHBondContact O-CG 3.4Å; L96-R100 PolarHBondContact O-N 3.24Å
97L96.5Very high96.1Very high9 Ų965 Ų655%0.04730%0.299CS..Hα-helixtrans-60.3-46175.4-70.5175.8000111.3Y36 V39 I43 T93 V94 R99 R100 I101Y36-L97 HydrophobicContact CD1-CD2 3.49Å; Y36-L97 VanDerWaalsContact CD1-CD2 3.49Å; Y36-L97 HydrophobicContact CE1-CD2 4.01Å; Y36-L97 HydrophobicContact CG-CD2 4.33Å; V39-L97 HydrophobicContact CG1-CD1 4.05Å; I43-L97 HydrophobicContact CD1-CD1 4.04Å; T93-L97 HydrophobicContact CG2-CD1 4.34Å; T93-L97 WeakPolarHBondContact O-CG 3.39Å; T93-L97 PolarHBondContact O-N 2.95Å; V94-L97 PolarHBondContact O-N 3.12Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 2.64Å; L97-R100 WeakPolarHBondContact O-CA 3.4Å; L97-R100 WeakPolarHBondContact O-CB 3.31Å; L97-R100 PolarHBondContact O-N 3.16Å; L97-I101 WeakPolarHBondContact O-CG1 3.38Å; L97-I101 PolarHBondContact O-N 3.13Å
98N96.8Very high96.2Very high74 Ų7459.1 Ų59.140%0.39627%0.272SS..Hα-helixtrans-59.6-38.7176.4-71.2-20.9000112.2V94 Q95 K102V94-N98 WeakPolarHBondContact O-CB 3.25Å; V94-N98 VanDerWaalsContact O-CG 3.23Å; V94-N98 PolarHBondContact O-N 3.42Å; V94-N98 PolarHBondContact O-ND2 2.94Å; Q95-N98 PolarHBondContact O-N 3.34Å; N98-K102 WeakPolarHBondContact O-CG 3.31Å; N98-K102 PolarHBondContact O-N 3.48Å
99R96.7Very high96.3Very high152 Ų15262 Ų6257%0.57429%0.287SS*.Hα-helixtrans-64.9-40.4173.8-71.1173.8-177.7-179.62.4111.8Q95 L96 L97 K102 R103Q95-R99 WeakPolarHBondContact O-CG 3.49Å; Q95-R99 PolarHBondContact O-N 3.46Å; L96-R99 WeakPolarHBondContact O-CB 3.45Å; L96-R99 PolarHBondContact O-N 2.94Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 2.64Å; R99-K102 PolarHBondContact O-N 3.35Å; R99-R103 WeakPolarHBondContact O-CG 3.44Å; R99-R103 PolarHBondContact O-N 3.06Å; R99-R103 VanDerWaalsContact O-N 3.12Å
100R96.2Very high96.5Very high30 Ų3061 Ų6111%0.11329%0.287CS..Hα-helixtrans-65.7-42.9176.3-74-179.2169.9167.70.8112.1Y36 Y77 L78 L96 L97 K102 R103 L104Y36-R100 HydrophobicContact CE2-CB 4.43Å; Y77-R100 PolarHBondContact O-NH1 3.35Å; Y77-R100 VanDerWaalsContact O-NH1 3.12Å; Y77-R100 PolarHBondContact O-NH2 3.19Å; L78-R100 PolarHBondContact O-NH2 3.4Å; L96-R100 WeakPolarHBondContact O-CG 3.4Å; L96-R100 PolarHBondContact O-N 3.24Å; L97-R100 WeakPolarHBondContact O-CA 3.4Å; L97-R100 WeakPolarHBondContact O-CB 3.31Å; L97-R100 PolarHBondContact O-N 3.16Å; R100-K102 PolarHBondContact O-N 3.34Å; R100-R103 PolarHBondContact O-N 3.23Å; R100-L104 WeakPolarHBondContact O-CG 3.45Å; R100-L104 PolarHBondContact O-N 3.48Å
101I97.1Very high96.6Very high18 Ų1861.3 Ų61.39%0.09229%0.288CS..Hα-helixtrans-58.9-48.3175.3-68166.1000110.1E37 L97 R103 L104 D105E37-I101 HydrophobicContact CG-CD1 4.04Å; L97-I101 WeakPolarHBondContact O-CG1 3.38Å; L97-I101 PolarHBondContact O-N 3.13Å; I101-R103 VanDerWaalsContact C-N 3.3Å; I101-R103 PolarHBondContact O-N 2.7Å; I101-L104 CarbonylContact O-C 3.59Å; I101-L104 WeakPolarHBondContact O-CA 3.38Å; I101-L104 WeakPolarHBondContact O-CB 3.39Å; I101-L104 PolarHBondContact O-N 3.1Å; I101-D105 PolarHBondContact O-N 3.21Å
102K97.2Very high96.7Very high145 Ų14559.3 Ų59.363%0.6328%0.279SS*.Hα-helixtrans-57.6-39.6176.2-73.1-179.7179.7-170.70113.3N98 R99 R100 D105 I106N98-K102 WeakPolarHBondContact O-CG 3.31Å; N98-K102 PolarHBondContact O-N 3.48Å; R99-K102 PolarHBondContact O-N 3.35Å; R100-K102 PolarHBondContact O-N 3.34Å; K102-D105 PolarHBondContact O-N 3.21Å; K102-I106 WeakPolarHBondContact O-CG1 3.46Å; K102-I106 PolarHBondContact O-N 3.45Å; K102-I106 VanDerWaalsContact O-N 3.13Å
103R96Very high96.8Very high152 Ų15263.1 Ų63.157%0.57430%0.295SS*.Hα-helixtrans-65.5-40.5175.3-71.6177.1-175.8174-0.6111.8R99 R100 I101 K107 D321R99-R103 WeakPolarHBondContact O-CG 3.44Å; R99-R103 PolarHBondContact O-N 3.06Å; R99-R103 VanDerWaalsContact O-N 3.12Å; R100-R103 PolarHBondContact O-N 3.23Å; I101-R103 VanDerWaalsContact C-N 3.3Å; I101-R103 PolarHBondContact O-N 2.7Å; R103-K107 PolarHBondContact O-N 3.16Å; R103-K107 VanDerWaalsContact O-N 3.1Å; R103-D321 IonicContact NH1-OD1 2.7Å
104L96.7Very high96.9Very high7 Ų767.3 Ų67.34%0.03731%0.314CS..Hα-helixtrans-64-41.1174.7-72.3176.2000111.8L29 R33 Y36 R100 I101 K107 L108L29-L104 HydrophobicContact CD2-CD2 3.68Å; R33-L104 HydrophobicContact CB-CD1 4.22Å; Y36-L104 HydrophobicContact CD2-CD1 3.6Å; Y36-L104 HydrophobicContact CE2-CD1 3.73Å; R100-L104 WeakPolarHBondContact O-CG 3.45Å; R100-L104 PolarHBondContact O-N 3.48Å; I101-L104 CarbonylContact O-C 3.59Å; I101-L104 WeakPolarHBondContact O-CA 3.38Å; I101-L104 WeakPolarHBondContact O-CB 3.39Å; I101-L104 PolarHBondContact O-N 3.1Å; L104-K107 PolarHBondContact O-N 2.95Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 WeakPolarHBondContact O-CG 3.3Å; L104-L108 PolarHBondContact O-N 2.9Å
105D97.2Very high96.9Very high44 Ų4469.4 Ų69.424%0.23532%0.322CS..Hα-helixtrans-59.4-48.3177.3-67.6-31.6000110.9R33 I101 K102 K107 L108 D109R33-D105 IonicContact CZ-OD1 2.69Å; R33-D105 IonicContact NE-OD1 2.8Å; R33-D105 PolarHBondContact NE-OD1 3.3Å; R33-D105 IonicContact NH2-OD1 3.45Å; R33-D105 PolarHBondContact NH2-OD1 2.99Å; I101-D105 PolarHBondContact O-N 3.21Å; K102-D105 PolarHBondContact O-N 3.21Å; D105-K107 VanDerWaalsContact C-N 3.3Å; D105-K107 PolarHBondContact O-N 3.01Å; D105-L108 PolarHBondContact O-N 2.85Å; D105-D109 PolarHBondContact O-N 2.81Å
106I97.3Very high97Very high126 Ų12670.3 Ų70.365%0.64633%0.332SS*.Hα-helixtrans-57.6-43.8175.7-66164.8000111K102 D109 G110K102-I106 WeakPolarHBondContact O-CG1 3.46Å; K102-I106 PolarHBondContact O-N 3.45Å; K102-I106 VanDerWaalsContact O-N 3.13Å; I106-D109 PolarHBondContact O-N 3.19Å; I106-G110 PolarHBondContact O-N 2.7Å
107K96.7Very high97Very high60 Ų6072.6 Ų72.626%0.26134%0.344SS..Hα-helixtrans-66.6-41.8179.1-170.5176.9179.4-167.80112E25 L29 R103 L104 D105 G110 L111 F319E25-K107 WeakPolarHBondContact OE1-CE 3.2Å; E25-K107 IonicContact OE1-NZ 3.23Å; E25-K107 PolarHBondContact OE1-NZ 2.92Å; L29-K107 HydrophobicContact CD1-CD 3.73Å; L29-K107 HydrophobicContact CD1-CG 3.92Å; L29-K107 HydrophobicContact CD2-CD 4.15Å; R103-K107 PolarHBondContact O-N 3.16Å; R103-K107 VanDerWaalsContact O-N 3.1Å; L104-K107 PolarHBondContact O-N 2.95Å; D105-K107 VanDerWaalsContact C-N 3.3Å; D105-K107 PolarHBondContact O-N 3.01Å; K107-G110 PolarHBondContact O-N 2.83Å; K107-L111 HydrophobicContact CG-CD1 4.39Å; K107-L111 WeakPolarHBondContact O-CG 3.4Å; K107-L111 PolarHBondContact O-N 3.34Å; K107-F319 HydrophobicContact CD-CZ 4.43Å
108L97.8Very high97Very high3 Ų372.7 Ų72.72%0.01634%0.344CS..Hα-helixtrans-62.4-42.8176.4-81.1169.7000111.4I26 L29 E30 L104 D105 G110 L111 R112I26-L108 HydrophobicContact CG2-CD2 4.13Å; L29-L108 HydrophobicContact CB-CD2 3.73Å; L29-L108 HydrophobicContact CB-CG 4.11Å; L29-L108 HydrophobicContact CD1-CD2 4.34Å; E30-L108 HydrophobicContact CG-CD1 4.12Å; E30-L108 HydrophobicContact CG-CD2 3.84Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 WeakPolarHBondContact O-CG 3.3Å; L104-L108 PolarHBondContact O-N 2.9Å; D105-L108 PolarHBondContact O-N 2.85Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 2.99Å; L108-L111 PolarHBondContact O-N 3.13Å; L108-R112 WeakPolarHBondContact O-CB 3.43Å; L108-R112 VanDerWaalsContact O-CG 3.25Å; L108-R112 WeakPolarHBondContact O-CG 3.48Å; L108-R112 PolarHBondContact O-N 3.13Å
109D97.5Very high97Very high79 Ų7972.5 Ų72.542%0.42234%0.343SS..Hα-helixtrans-62.4-42.8176.5-71.3-18.8000111.3D105 I106 L111 R112 Q113D105-D109 PolarHBondContact O-N 2.81Å; I106-D109 PolarHBondContact O-N 3.19Å; D109-L111 PolarHBondContact O-N 3.48Å; D109-R112 PolarHBondContact O-N 2.91Å; D109-R112 IonicContact OD1-NH1 3.95Å; D109-Q113 VanDerWaalsContact O-CG 3.32Å; D109-Q113 WeakPolarHBondContact O-CG 3.48Å; D109-Q113 PolarHBondContact O-N 3.33Å
110G97.5Very high97Very high36 Ų3669.5 Ų69.537%0.37134%0.339SS..Hα-helixtrans-59.6-44.8173.600000113.3I106 K107 L108 Q113 Q114I106-G110 PolarHBondContact O-N 2.7Å; K107-G110 PolarHBondContact O-N 2.83Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 2.99Å; G110-Q113 PolarHBondContact O-N 3.37Å; G110-Q114 WeakPolarHBondContact O-CB 3.49Å; G110-Q114 PolarHBondContact O-N 3.43Å
111L97.4Very high96.9Very high10 Ų1074.3 Ų74.35%0.05236%0.357CS..Hα-helixtrans-67.9-35.8177.8-71.9168.7000112.8T22 E25 I26 L29 K107 L108 D109 Q114 K115T22-L111 HydrophobicContact CG2-CB 4.42Å; T22-L111 HydrophobicContact CG2-CD2 4.19Å; E25-L111 HydrophobicContact CB-CD1 4.25Å; E25-L111 HydrophobicContact CG-CD1 3.73Å; E25-L111 WeakPolarHBondContact OE2-CD2 3.39Å; I26-L111 HydrophobicContact CD1-CB 4.16Å; I26-L111 HydrophobicContact CG1-CB 3.74Å; I26-L111 HydrophobicContact CG1-CD1 4.23Å; L29-L111 HydrophobicContact CD1-CD1 3.29Å; K107-L111 HydrophobicContact CG-CD1 4.39Å; K107-L111 WeakPolarHBondContact O-CG 3.4Å; K107-L111 PolarHBondContact O-N 3.34Å; L108-L111 PolarHBondContact O-N 3.13Å; D109-L111 PolarHBondContact O-N 3.48Å; L111-Q114 PolarHBondContact O-N 3.21Å; L111-K115 WeakPolarHBondContact O-CB 3.38Å; L111-K115 PolarHBondContact O-N 3.26Å
112R97.4Very high96.8Very high115 Ų11574.2 Ų74.243%0.43436%0.356SS..Hα-helixtrans-64.4-43.1174.4-74.1168.7178173.2-1.1111.1I26 E30 L108 D109 K115 T116I26-R112 HydrophobicContact CD1-CG 4.41Å; E30-R112 IonicContact OE1-CZ 3.04Å; E30-R112 IonicContact OE1-NH2 3.38Å; E30-R112 PolarHBondContact OE1-NH2 3.07Å; L108-R112 WeakPolarHBondContact O-CB 3.43Å; L108-R112 VanDerWaalsContact O-CG 3.25Å; L108-R112 WeakPolarHBondContact O-CG 3.48Å; L108-R112 PolarHBondContact O-N 3.13Å; D109-R112 PolarHBondContact O-N 2.91Å; D109-R112 IonicContact OD1-NH1 3.95Å; R112-K115 PolarHBondContact O-N 3.12Å; R112-T116 PolarHBondContact O-N 2.98Å; R112-T116 PolarHBondContact O-OG1 2.95Å
113Q97.4Very high96.6Very high139 Ų13969.7 Ų69.765%0.6534%0.343SS*.Hα-helixtrans-62.2-44.2173.5-69.717319.600111.7D109 G110 K115 T116 L117D109-Q113 VanDerWaalsContact O-CG 3.32Å; D109-Q113 WeakPolarHBondContact O-CG 3.48Å; D109-Q113 PolarHBondContact O-N 3.33Å; G110-Q113 PolarHBondContact O-N 3.37Å; Q113-K115 VanDerWaalsContact C-N 3.33Å; Q113-K115 PolarHBondContact O-N 2.98Å; Q113-T116 PolarHBondContact O-N 2.95Å; Q113-L117 PolarHBondContact O-N 3.31Å
114Q97Very high96.4Very high92 Ų9269.1 Ų69.143%0.4334%0.342SS..Hα-helixtrans-58.5-44.5174.7175.7177.8-31.800111.7T22 G110 L111 T116 L117 L118T22-Q114 HydrophobicContact CG2-CG 4.45Å; T22-Q114 PolarHBondContact OG1-NE2 2.91Å; G110-Q114 WeakPolarHBondContact O-CB 3.49Å; G110-Q114 PolarHBondContact O-N 3.43Å; L111-Q114 PolarHBondContact O-N 3.21Å; Q114-T116 PolarHBondContact O-N 3.49Å; Q114-L117 PolarHBondContact O-N 2.91Å; Q114-L118 HydrophobicContact CG-CD1 4.12Å; Q114-L118 WeakPolarHBondContact O-CG 3.5Å; Q114-L118 PolarHBondContact O-N 3.23Å
115K97Very high96.1Very high64 Ų6469.1 Ų69.128%0.27834%0.342SS..Hα-helixtrans-60.3-45176.3-178.1-179178.5174.80111.5T22 E23 I26 L111 R112 Q113 L118 N119T22-K115 HydrophobicContact CG2-CB 4.11Å; E23-K115 HydrophobicContact CG-CD 4.13Å; E23-K115 WeakPolarHBondContact OE1-CE 3.1Å; E23-K115 IonicContact OE1-NZ 3.88Å; E23-K115 PolarHBondContact OE1-NZ 2.88Å; I26-K115 HydrophobicContact CD1-CD 4.31Å; L111-K115 WeakPolarHBondContact O-CB 3.38Å; L111-K115 PolarHBondContact O-N 3.26Å; R112-K115 PolarHBondContact O-N 3.12Å; Q113-K115 VanDerWaalsContact C-N 3.33Å; Q113-K115 PolarHBondContact O-N 2.98Å; K115-L118 PolarHBondContact O-N 3.33Å; K115-N119 PolarHBondContact O-N 3.43Å; K115-N119 PolarHBondContact O-ND2 3.02Å
116T97.2Very high95.8Very high83 Ų8372.8 Ų72.851%0.50936%0.356SS..Hα-helixtrans-59.1-48.7175.7-590000110.9R112 Q113 Q114 L118 N119 D120R112-T116 PolarHBondContact O-N 2.98Å; R112-T116 PolarHBondContact O-OG1 2.95Å; Q113-T116 PolarHBondContact O-N 2.95Å; Q114-T116 PolarHBondContact O-N 3.49Å; T116-L118 VanDerWaalsContact C-N 3.3Å; T116-L118 PolarHBondContact O-N 3.35Å; T116-N119 WeakPolarHBondContact O-CB 3.47Å; T116-N119 PolarHBondContact O-N 3.25Å; T116-N119 VanDerWaalsContact O-N 3.09Å; T116-D120 PolarHBondContact O-N 3.24Å
117L96.8Very high95.4Very high87 Ų8771.6 Ų71.646%0.45535%0.348SS..Hα-helixtrans-60.1-38.6178.1-178.464.1000112.7Q113 Q114 D120 R121Q113-L117 PolarHBondContact O-N 3.31Å; Q114-L117 PolarHBondContact O-N 2.91Å; L117-D120 PolarHBondContact O-N 3.07Å; L117-R121 VanDerWaalsContact O-CG 3.28Å; L117-R121 WeakPolarHBondContact O-CG 3.39Å; L117-R121 PolarHBondContact O-N 3.08Å
118L96.8Very high94.9Very high10 Ų1071.4 Ų71.45%0.05235%0.349CS..Hα-helixtrans-67.1-39.3175.5-73171.9000112D18 I19 Q114 K115 T116 R121 I122D18-L118 HydrophobicContact CB-CD1 4.17Å; D18-L118 HydrophobicContact CB-CD2 4.33Å; I19-L118 HydrophobicContact CD1-CB 4.01Å; I19-L118 HydrophobicContact CG1-CB 3.57Å; I19-L118 HydrophobicContact CG1-CD1 4.03Å; I19-L118 HydrophobicContact CG1-CG 4.41Å; Q114-L118 HydrophobicContact CG-CD1 4.12Å; Q114-L118 WeakPolarHBondContact O-CG 3.5Å; Q114-L118 PolarHBondContact O-N 3.23Å; K115-L118 PolarHBondContact O-N 3.33Å; T116-L118 VanDerWaalsContact C-N 3.3Å; T116-L118 PolarHBondContact O-N 3.35Å; L118-R121 WeakPolarHBondContact O-CB 3.5Å; L118-R121 PolarHBondContact O-N 3.06Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 3.2Å
119N96.7Very high94.2Very high70 Ų7073.7 Ų73.737%0.37436%0.363SS..Hα-helixtrans-63-41.9174.3-78.1-61.8000111.9I19 K115 T116 R121 I122 S123I19-N119 WeakPolarHBondContact CD1-OD1 3.27Å; K115-N119 PolarHBondContact O-N 3.43Å; K115-N119 PolarHBondContact O-ND2 3.02Å; T116-N119 WeakPolarHBondContact O-CB 3.47Å; T116-N119 PolarHBondContact O-N 3.25Å; T116-N119 VanDerWaalsContact O-N 3.09Å; N119-R121 VanDerWaalsContact C-N 3.32Å; N119-R121 PolarHBondContact O-N 3.12Å; N119-I122 PolarHBondContact O-N 3.22Å; N119-S123 PolarHBondContact O-N 3.49Å
120D96.2Very high93.5Very high90 Ų9073.3 Ų73.348%0.48137%0.367SS..Hα-helixtrans-63.4-38.6175.6-65.3-20.1000111.5T116 L117 I122 S123 Y124T116-D120 PolarHBondContact O-N 3.24Å; L117-D120 PolarHBondContact O-N 3.07Å; D120-I122 PolarHBondContact O-N 3.32Å; D120-S123 PolarHBondContact O-N 3.04Å; D120-S123 PolarHBondContact O-OG 2.69Å; D120-Y124 WeakPolarHBondContact O-CB 3.5Å; D120-Y124 PolarHBondContact O-N 3.26Å
121R94.5Very high92.2Very high131 Ų13177.2 Ų77.249%0.49438%0.375SS..Hα-helixtrans-64-39.5173.9-74.5170176.5177.10.4112.4L117 L118 N119 T125L117-R121 VanDerWaalsContact O-CG 3.28Å; L117-R121 WeakPolarHBondContact O-CG 3.39Å; L117-R121 PolarHBondContact O-N 3.08Å; L118-R121 WeakPolarHBondContact O-CB 3.5Å; L118-R121 PolarHBondContact O-N 3.06Å; N119-R121 VanDerWaalsContact C-N 3.32Å; N119-R121 PolarHBondContact O-N 3.12Å; R121-T125 WeakPolarHBondContact O-CB 3.43Å; R121-T125 PolarHBondContact O-N 3.03Å; R121-T125 PolarHBondContact O-OG1 3.28Å
122I95Very high90.5Very high15 Ų1581.3 Ų81.38%0.07739%0.393CS..Hα-helixtrans-64.9-44.8175.1-71.6-179.3000110.5L12 Q15 T16 I19 L118 N119 D120 Y124 T125 K126L12-I122 HydrophobicContact CD2-CG2 4.26Å; Q15-I122 HydrophobicContact CB-CD1 3.9Å; Q15-I122 HydrophobicContact CB-CG1 3.53Å; Q15-I122 HydrophobicContact CG-CG1 4.29Å; T16-I122 HydrophobicContact CG2-CD1 4.07Å; I19-I122 HydrophobicContact CD1-CD1 3.28Å; I19-I122 HydrophobicContact CD1-CG1 4.31Å; I19-I122 HydrophobicContact CG1-CD1 4.33Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 3.2Å; N119-I122 PolarHBondContact O-N 3.22Å; D120-I122 PolarHBondContact O-N 3.32Å; I122-Y124 VanDerWaalsContact C-N 3.35Å; I122-Y124 PolarHBondContact O-N 3.02Å; I122-T125 PolarHBondContact O-N 3.48Å; I122-K126 HydrophobicContact CG2-CD 4.01Å; I122-K126 VanDerWaalsContact CG2-CE 3.5Å; I122-K126 HydrophobicContact CG2-CG 4.43Å; I122-K126 VanDerWaalsContact O-CG 3.31Å; I122-K126 WeakPolarHBondContact O-CG 3.5Å; I122-K126 PolarHBondContact O-N 3.35Å
123S93.7Very high88.4Confident51 Ų5182.7 Ų82.736%0.35741%0.408SS..Hα-helixtrans-62.1-44179.675.40000111.1N119 D120 K126 Q127N119-S123 PolarHBondContact O-N 3.49Å; D120-S123 PolarHBondContact O-N 3.04Å; D120-S123 PolarHBondContact O-OG 2.69Å; S123-K126 PolarHBondContact O-N 2.85Å; S123-Q127 WeakPolarHBondContact O-CG 3.1Å; S123-Q127 PolarHBondContact O-N 2.96Å
124Y91.7Very high86.2Confident140 Ų14081.7 Ų81.755%0.54941%0.406SS..Hα-helixtrans-62.1-44.9174.5-177-108000112.4D120 I122 K126 Q127 L128D120-Y124 WeakPolarHBondContact O-CB 3.5Å; D120-Y124 PolarHBondContact O-N 3.26Å; I122-Y124 VanDerWaalsContact C-N 3.35Å; I122-Y124 PolarHBondContact O-N 3.02Å; Y124-K126 VanDerWaalsContact C-N 3.31Å; Y124-K126 PolarHBondContact O-N 2.9Å; Y124-Q127 WeakPolarHBondContact O-CB 3.35Å; Y124-Q127 PolarHBondContact O-N 3.36Å; Y124-Q127 VanDerWaalsContact O-N 3.15Å; Y124-L128 HydrophobicContact CD1-CD1 3.92Å; Y124-L128 HydrophobicContact CD1-CG 4.33Å; Y124-L128 HydrophobicContact CE1-CD1 3.42Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.42Å; Y124-L128 HydrophobicContact CE1-CD2 4.42Å; Y124-L128 HydrophobicContact CE1-CG 3.97Å; Y124-L128 HydrophobicContact CE2-CD2 4.46Å; Y124-L128 HydrophobicContact CE2-CG 4.46Å; Y124-L128 WeakPolarHBondContact O-CG 3.38Å; Y124-L128 PolarHBondContact O-N 2.89Å
125T90.5Very high83.7Confident7 Ų780.4 Ų80.44%0.04341%0.407CS..Hα-helixtrans-61.4-40.9177.7-55.80000111.2F8 L11 L12 Q15 R121 I122 L128 V129F8-T125 HydrophobicContact CD1-CG2 4.29Å; L11-T125 HydrophobicContact CD2-CG2 3.72Å; L11-T125 HydrophobicContact CG-CG2 4.15Å; L12-T125 HydrophobicContact CD2-CG2 3.8Å; L12-T125 HydrophobicContact CG-CG2 3.94Å; Q15-T125 PolarHBondContact NE2-OG1 3.47Å; Q15-T125 PolarHBondContact OE1-OG1 3.44Å; R121-T125 WeakPolarHBondContact O-CB 3.43Å; R121-T125 PolarHBondContact O-N 3.03Å; R121-T125 PolarHBondContact O-OG1 3.28Å; I122-T125 PolarHBondContact O-N 3.48Å; T125-L128 PolarHBondContact O-N 3.17Å; T125-V129 WeakPolarHBondContact O-CG2 3.48Å; T125-V129 PolarHBondContact O-N 3.22Å; T125-V129 VanDerWaalsContact O-N 3.1Å
126K90.1Very high81.3Confident120 Ų12083.2 Ų83.252%0.52242%0.424SS..Hα-helixtrans-62.7-43.5173.9-72.6172.8178.81760111.8L12 I122 S123 Y124 L128 V129 S130L12-K126 HydrophobicContact CD2-CG 4.17Å; I122-K126 HydrophobicContact CG2-CD 4.01Å; I122-K126 VanDerWaalsContact CG2-CE 3.5Å; I122-K126 HydrophobicContact CG2-CG 4.43Å; I122-K126 VanDerWaalsContact O-CG 3.31Å; I122-K126 WeakPolarHBondContact O-CG 3.5Å; I122-K126 PolarHBondContact O-N 3.35Å; S123-K126 PolarHBondContact O-N 2.85Å; Y124-K126 VanDerWaalsContact C-N 3.31Å; Y124-K126 PolarHBondContact O-N 2.9Å; K126-L128 PolarHBondContact O-N 2.98Å; K126-V129 PolarHBondContact O-N 3.31Å; K126-S130 PolarHBondContact O-N 3.18Å; K126-S130 PolarHBondContact O-OG 3.26Å
127Q88.7Confident78.7Confident101 Ų10184.5 Ų84.547%0.47243%0.434SS..Hα-helixtrans-60.3-43.1176.1-71.8174.120.400112S123 Y124 V129 S130 Q131S123-Q127 WeakPolarHBondContact O-CG 3.1Å; S123-Q127 PolarHBondContact O-N 2.96Å; Y124-Q127 WeakPolarHBondContact O-CB 3.35Å; Y124-Q127 PolarHBondContact O-N 3.36Å; Y124-Q127 VanDerWaalsContact O-N 3.15Å; Q127-V129 VanDerWaalsContact C-N 3.34Å; Q127-V129 PolarHBondContact O-N 3.37Å; Q127-S130 PolarHBondContact O-N 3.23Å; Q127-Q131 WeakPolarHBondContact O-CB 3.34Å; Q127-Q131 WeakPolarHBondContact O-CG 3.08Å; Q127-Q131 PolarHBondContact O-N 3.47Å
128L85.6Confident76.1Confident57 Ų5787.3 Ų87.330%0.29844%0.442SS..Hα-helixtrans-62.6-39.1176.4-71.1180000112.8F8 Y124 T125 K126 K132F8-L128 HydrophobicContact CE1-CB 4.48Å; Y124-L128 HydrophobicContact CD1-CD1 3.92Å; Y124-L128 HydrophobicContact CD1-CG 4.33Å; Y124-L128 HydrophobicContact CE1-CD1 3.42Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.42Å; Y124-L128 HydrophobicContact CE1-CD2 4.42Å; Y124-L128 HydrophobicContact CE1-CG 3.97Å; Y124-L128 HydrophobicContact CE2-CD2 4.46Å; Y124-L128 HydrophobicContact CE2-CG 4.46Å; Y124-L128 WeakPolarHBondContact O-CG 3.38Å; Y124-L128 PolarHBondContact O-N 2.89Å; T125-L128 PolarHBondContact O-N 3.17Å; K126-L128 PolarHBondContact O-N 2.98Å; L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.34Å; L128-K132 PolarHBondContact O-N 3.42Å; L128-K132 VanDerWaalsContact O-N 3.17Å
129V84.3Confident73.3Confident50 Ų5094 Ų9430%0.30348%0.478SS..Hα-helixtrans-65.1-42.3174.9174.10000110.5F8 T125 K126 Q127F8-V129 HydrophobicContact CB-CG2 3.63Å; F8-V129 HydrophobicContact CD1-CG2 3.79Å; F8-V129 HydrophobicContact CD2-CG2 3.92Å; F8-V129 HydrophobicContact CE1-CG2 4.42Å; F8-V129 HydrophobicContact CG-CG2 3.52Å; T125-V129 WeakPolarHBondContact O-CG2 3.48Å; T125-V129 PolarHBondContact O-N 3.22Å; T125-V129 VanDerWaalsContact O-N 3.1Å; K126-V129 PolarHBondContact O-N 3.31Å; Q127-V129 VanDerWaalsContact C-N 3.34Å; Q127-V129 PolarHBondContact O-N 3.37Å
130S82Confident70.9Confident72 Ų7295.9 Ų95.950%0.50350%0.497SS..Hα-helixtrans-69.5-44.7178.9-61.50000113.5K126 Q127 K132 L133K126-S130 PolarHBondContact O-N 3.18Å; K126-S130 PolarHBondContact O-OG 3.26Å; Q127-S130 PolarHBondContact O-N 3.23Å; S130-K132 VanDerWaalsContact C-N 3.28Å; S130-K132 PolarHBondContact O-N 3.02Å; S130-L133 WeakPolarHBondContact O-CB 3.27Å; S130-L133 PolarHBondContact O-N 3.02Å; S130-L133 VanDerWaalsContact O-N 3.15Å
131Q71.2Confident68.4Low117 Ų11796.8 Ų96.855%0.54751%0.51SS..Hα-helixtrans-64.4-34.6179-74174.31.400111.5Q127 L133 I134Q127-Q131 WeakPolarHBondContact O-CB 3.34Å; Q127-Q131 WeakPolarHBondContact O-CG 3.08Å; Q127-Q131 PolarHBondContact O-N 3.47Å; Q131-L133 PolarHBondContact O-N 2.7Å; Q131-I134 WeakPolarHBondContact O-CB 3.48Å; Q131-I134 PolarHBondContact O-N 3.43Å
132K60.3Low65.9Low96 Ų9695.9 Ų95.942%0.41752%0.519SS..THydrogen-bonded Turntrans-64.8-19.2176-169.6168.9-172.4159.90114.1N4 F8 L128 S130 I134N4-K132 VanDerWaalsContact CB-NZ 3.34Å; N4-K132 VanDerWaalsContact CG-NZ 3.34Å; N4-K132 PolarHBondContact ND2-NZ 3.39Å; F8-K132 HydrophobicContact CE2-CD 4.04Å; L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.34Å; L128-K132 PolarHBondContact O-N 3.42Å; L128-K132 VanDerWaalsContact O-N 3.17Å; S130-K132 VanDerWaalsContact C-N 3.28Å; S130-K132 PolarHBondContact O-N 3.02Å; K132-I134 PolarHBondContact O-N 3.44Å
133L53Low63Low144 Ų144100.9 Ų100.975%0.75455%0.554SS**THydrogen-bonded Turntrans-77.6-5.7172.7-65.2169000112.4S130 Q131S130-L133 WeakPolarHBondContact O-CB 3.27Å; S130-L133 PolarHBondContact O-N 3.02Å; S130-L133 VanDerWaalsContact O-N 3.15Å; Q131-L133 PolarHBondContact O-N 2.7Å
134I51.3Low60.5Low118 Ų118104.7 Ų104.761%0.60558%0.576SS**SBendtrans-109.5100.5177.1-54.7170.9000107.5Q131 K132Q131-I134 WeakPolarHBondContact O-CB 3.48Å; Q131-I134 PolarHBondContact O-N 3.43Å; K132-I134 PolarHBondContact O-N 3.44Å
135S45.3Very low57.9Low66 Ų66109.1 Ų109.146%0.46259%0.591SS.*  trans71.785.3154.4-46.40000119.3
136I45.9Very low55.5Low123 Ų123115.5 Ų115.563%0.63163%0.625SS**  trans-111.995.1138.2-56.7171.8000106K138I136-K138 HydrophobicContact CG2-CG 4.35Å; I136-K138 PolarHBondContact O-N 3.07Å
137P44.4Very low53.2Low110 Ų110121 Ų12171%0.71464%0.643SS**  trans-70.892164.824-17.9000106.8
138K41.7Very low51.2Low146 Ų146123.8 Ų123.864%0.63566%0.659SS**  trans-57.8133.7147.7-70.3-175.9175.1-173.90105.4I136I136-K138 HydrophobicContact CG2-CG 4.35Å; I136-K138 PolarHBondContact O-N 3.07Å
139D37.2Very low49Very low150 Ų150128.1 Ų128.180%0.80269%0.687SS**  trans96.584173.7-37.9-23.5000113.7
140S46.3Very low46.8Very low110 Ų110129 Ų12977%0.76971%0.706SS**  -170.299.1127.349.40000110.4
141S43.6Very low44.5Very low109 Ų109129.6 Ų129.676%0.76273%0.725SS**  trans-49.3151.2141.847.10000109.5
142T43.4Very low43.3Very low112 Ų112130.3 Ų130.369%0.68773%0.731SS**  trans9483.4170.9-30.20000114.5T144T142-T144 PolarHBondContact O-N 3.08Å
143C33.7Very low42.8Very low120 Ų120134.6 Ų134.681%0.81175%0.752SS**  trans-19.8108.9136.442.30000114.1
144T40.6Very low42.5Very low131 Ų131132.9 Ų132.980%0.80474%0.744SS**  trans-152.8112.8142.7-63.40000108.5T142 D146T142-T144 PolarHBondContact O-N 3.08Å; T144-D146 PolarHBondContact O-N 2.77Å
145R37.6Very low42.6Very low233 Ų233135 Ų13588%0.87976%0.756SS**  trans-74.7105.7174.3176-177.6175.2130.2-1.5107.6
146D39.9Very low43.2Very low140 Ų140138.9 Ų138.975%0.74977%0.765SS**  trans176.3122.2142.9-91.7-19.2000113.6T144T144-D146 PolarHBondContact O-N 2.77Å
147R42.3Very low43.9Very low236 Ų236142.1 Ų142.189%0.89178%0.777SS**  trans45.4102150-76.3178.8160.8172-3.7120.6
148I46.5Very low44.7Very low159 Ų159143.8 Ų143.882%0.81578%0.779SS**  trans-154.3100.8135.8-52.4-175.5000107.3
149V38.9Very low46Very low148 Ų148144.2 Ų144.290%0.89778%0.783SS**  41.8104.4104.8-176.50000114.8
150G38.6Very low47.8Very low68 Ų68143.6 Ų143.670%0.70178%0.779SS**  trans138.898.9164.300000112.4I152G150-I152 PolarHBondContact O-N 3.03Å
151G32.4Very low49.4Very low86 Ų86148.4 Ų148.489%0.88778%0.78SS**  trans-57.6120.8-167.700000115
152I46.6Very low51Low132 Ų132151 Ų15168%0.67778%0.78SS**  trans-124105.2155.1-62174.9000102.9G150 D154G150-I152 PolarHBondContact O-N 3.03Å; I152-D154 PolarHBondContact O-N 3.31Å
153E49.7Very low52.9Low185 Ų185154.9 Ų154.986%0.86479%0.79SS**  trans-60.8103.6179.5-71.6-179.4156.700109
154D47.3Very low55.3Low109 Ų109156.8 Ų156.858%0.58378%0.781SS**  trans20.8111143-54.9-29.9000115.8I152 K156I152-D154 PolarHBondContact O-N 3.31Å; D154-K156 HydrophobicContact CB-CD 4.14Å; D154-K156 HydrophobicContact CB-CG 3.41Å; D154-K156 VanDerWaalsContact CB-CG 3.41Å; D154-K156 PolarHBondContact O-N 2.87Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 IonicContact OD2-NZ 3.68Å
155D53.1Low57.6Low162 Ų162155.1 Ų155.187%0.86677%0.768SS**  trans-56.978.1145.9-67.7-39.5000108.2E157D155-E157 PolarHBondContact O-N 3.4Å
156K56.9Low60Low147 Ų147146.8 Ų146.864%0.63975%0.745SS**  trans-75.797.3175.6-65-174.8-176.7173.20107D154 I158D154-K156 HydrophobicContact CB-CD 4.14Å; D154-K156 HydrophobicContact CB-CG 3.41Å; D154-K156 VanDerWaalsContact CB-CG 3.41Å; D154-K156 PolarHBondContact O-N 2.87Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 IonicContact OD2-NZ 3.68Å; K156-I158 VanDerWaalsContact C-N 3.29Å; K156-I158 PolarHBondContact O-N 3.07Å
157E61.5Low62.5Low191 Ų191145.5 Ų145.589%0.89374%0.738SS**  trans-49.9105.4149-68.1-179.3175.900106.7D155 E159D155-E157 PolarHBondContact O-N 3.4Å; E157-E159 VanDerWaalsContact C-N 3.29Å; E157-E159 PolarHBondContact O-N 3.14Å
158I60.4Low64.9Low146 Ų146136.3 Ų136.375%0.74971%0.713SS**  trans-75.492.6174-55.4173.3000104.9K156 I160K156-I158 VanDerWaalsContact C-N 3.29Å; K156-I158 PolarHBondContact O-N 3.07Å; I158-I160 PolarHBondContact O-N 3.36Å
159E70.1Confident66.9Low154 Ų154131 Ų13172%0.7269%0.685SS**  trans-58.7112.4167.6-173.7-178.1-177.600107.2E157 R161E157-E159 VanDerWaalsContact C-N 3.29Å; E157-E159 PolarHBondContact O-N 3.14Å; E159-R161 HydrophobicContact CG-CB 4.5Å; E159-R161 PolarHBondContact O-N 3.44Å
160I74Confident69.5Low138 Ų138127.4 Ų127.471%0.70866%0.66SS**  trans-72.782.8174.5-56.3174.2000106.6I158 E162I158-I160 PolarHBondContact O-N 3.36Å; I160-E162 HydrophobicContact CG2-CG 4.05Å; I160-E162 PolarHBondContact O-N 3.48Å
161R79.8Confident72.1Confident211 Ų211130.8 Ų130.880%0.79666%0.657SS**  trans-9584.7174.5-159.6174.6-169.3-171.53.6108.5E159 E163E159-R161 HydrophobicContact CG-CB 4.5Å; E159-R161 PolarHBondContact O-N 3.44Å; R161-E163 PolarHBondContact O-N 3.46Å
162E78.4Confident74.9Confident164 Ų164133.4 Ų133.477%0.76664%0.64SS**  trans-66.8129.1170.1-65.9175.4-174.900108.6I160 Y164I160-E162 HydrophobicContact CG2-CG 4.05Å; I160-E162 PolarHBondContact O-N 3.48Å; E162-Y164 PolarHBondContact O-N 2.88Å
163E83.2Confident77.1Confident192 Ų192133.5 Ų133.590%0.89763%0.632SS**  trans-66.2116.5173.6-67.4-177.5176.200108.7R161 D165R161-E163 PolarHBondContact O-N 3.46Å; E163-D165 PolarHBondContact O-N 3.34Å; E163-D165 VanDerWaalsContact O-N 3.16Å
164Y84.3Confident79.3Confident160 Ų160131.1 Ų131.163%0.62762%0.619SS**  trans-74.2104.4177.8-179.5-100.6000110.3E162 E169E162-Y164 PolarHBondContact O-N 2.88Å; Y164-E169 HydrophobicContact CE2-CB 3.96Å; Y164-E169 HydrophobicContact CE2-CG 3.92Å; Y164-E169 WeakPolarHBondContact OH-CG 3.35Å
165D87.5Confident81.5Confident97 Ų97133.7 Ų133.752%0.51963%0.625SS.*  trans-90.4107.2169-178.5-3.5000109.8E163 D167 A168 E169E163-D165 PolarHBondContact O-N 3.34Å; E163-D165 VanDerWaalsContact O-N 3.16Å; D165-D167 VanDerWaalsContact C-N 3.29Å; D165-D167 PolarHBondContact O-N 2.91Å; D165-D167 PolarHBondContact OD1-N 3.17Å; D165-A168 HydrophobicContact CB-CB 3.78Å; D165-A168 PolarHBondContact O-N 2.98Å; D165-A168 PolarHBondContact OD1-N 3.05Å; D165-A168 WeakPolarHBondContact OD2-CB 3.4Å; D165-E169 PolarHBondContact O-N 3Å
166S89.3Confident83.4Confident58 Ų58129.6 Ų129.641%0.40660%0.6SS.*Hα-helixtrans-58.9-39-179.9177.10000112.5E169 I170S166-E169 PolarHBondContact O-N 3.32Å; S166-I170 WeakPolarHBondContact O-CD1 3.49Å; S166-I170 VanDerWaalsContact O-CG1 3.23Å; S166-I170 WeakPolarHBondContact O-CG1 3.44Å; S166-I170 PolarHBondContact O-N 3.45Å
167D92.6Very high85.2Confident112 Ų112126 Ų12660%0.59959%0.591SS**Hα-helixtrans-73.7-41.4-176.7-70.6-19.7000110D165 E169 I170 E171D165-D167 VanDerWaalsContact C-N 3.29Å; D165-D167 PolarHBondContact O-N 2.91Å; D165-D167 PolarHBondContact OD1-N 3.17Å; D167-E169 VanDerWaalsContact C-N 3.34Å; D167-E169 PolarHBondContact O-N 3.47Å; D167-I170 PolarHBondContact O-N 3.39Å; D167-E171 WeakPolarHBondContact O-CG 3.48Å; D167-E171 PolarHBondContact O-N 3.45Å
168A90.9Very high86.7Confident43 Ų43121.3 Ų121.336%0.35557%0.572SS.*Hα-helixtrans-60.7-40.5172.600000112.3D165 E171 W172D165-A168 HydrophobicContact CB-CB 3.78Å; D165-A168 PolarHBondContact O-N 2.98Å; D165-A168 PolarHBondContact OD1-N 3.05Å; D165-A168 WeakPolarHBondContact OD2-CB 3.4Å; A168-E171 PolarHBondContact O-N 3.28Å; A168-W172 WeakPolarHBondContact O-CB 3.32Å; A168-W172 PolarHBondContact O-N 2.92Å
169E89.6Confident88.2Confident49 Ų49117.6 Ų117.623%0.22956%0.559CS.*Hα-helixtrans-65.8-39.8176.8-179.264.4-167.500111.7Y164 D165 S166 D167 W172 R173Y164-E169 HydrophobicContact CE2-CB 3.96Å; Y164-E169 HydrophobicContact CE2-CG 3.92Å; Y164-E169 WeakPolarHBondContact OH-CG 3.35Å; D165-E169 PolarHBondContact O-N 3Å; S166-E169 PolarHBondContact O-N 3.32Å; D167-E169 VanDerWaalsContact C-N 3.34Å; D167-E169 PolarHBondContact O-N 3.47Å; E169-W172 PolarHBondContact O-N 3.27Å; E169-R173 WeakPolarHBondContact O-CB 3.44Å; E169-R173 WeakPolarHBondContact O-CG 3.48Å; E169-R173 PolarHBondContact O-N 3.41Å; E169-R173 IonicContact OE1-CZ 3.11Å; E169-R173 IonicContact OE1-NE 3.17Å; E169-R173 PolarHBondContact OE1-NE 2.97Å; E169-R173 VanDerWaalsContact OE1-NE 3.17Å; E169-R173 IonicContact OE1-NH2 2.75Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å
170I92.8Very high89.2Confident72 Ų72115.8 Ų115.837%0.36955%0.545SS..Hα-helixtrans-64.9-45.5175.6-68.5163.7000110.7S166 D167 R173 K174S166-I170 WeakPolarHBondContact O-CD1 3.49Å; S166-I170 VanDerWaalsContact O-CG1 3.23Å; S166-I170 WeakPolarHBondContact O-CG1 3.44Å; S166-I170 PolarHBondContact O-N 3.45Å; D167-I170 PolarHBondContact O-N 3.39Å; I170-R173 PolarHBondContact O-N 3.01Å; I170-K174 HydrophobicContact CG2-CD 4.3Å; I170-K174 WeakPolarHBondContact O-CG 3.29Å; I170-K174 PolarHBondContact O-N 3.39Å
171E93.7Very high90.1Very high139 Ų139115 Ų11565%0.6554%0.537SS*.Hα-helixtrans-63.2-43.3176-73.1-171174.600111.8D167 A168 R173 K174 K175D167-E171 WeakPolarHBondContact O-CG 3.48Å; D167-E171 PolarHBondContact O-N 3.45Å; A168-E171 PolarHBondContact O-N 3.28Å; E171-R173 PolarHBondContact O-N 2.89Å; E171-K174 PolarHBondContact O-N 3.38Å; E171-K175 WeakPolarHBondContact O-CB 3.46Å; E171-K175 PolarHBondContact O-N 3.45Å
172W91.4Very high90.6Very high141 Ų141111.6 Ų111.653%0.53453%0.53SS..Hα-helixtrans-60.1-45.5175.9-177.894.2000111A168 E169 K175 H176A168-W172 WeakPolarHBondContact O-CB 3.32Å; A168-W172 PolarHBondContact O-N 2.92Å; E169-W172 PolarHBondContact O-N 3.27Å; W172-K175 PolarHBondContact O-N 3.13Å; W172-H176 HydrophobicContact CE3-CB 4.45Å; W172-H176 HydrophobicContact CH2-CB 4.44Å; W172-H176 AromaticContact CH2-ND1 3.89Å; W172-H176 AromaticContact CZ2-ND1 3.87Å; W172-H176 HydrophobicContact CZ3-CB 4.36Å; W172-H176 VanDerWaalsContact O-CB 3.28Å; W172-H176 WeakPolarHBondContact O-CB 3.47Å; W172-H176 PolarHBondContact O-N 3.45Å
173R93.2Very high91.1Very high134 Ų134107.8 Ų107.851%0.50651%0.512SS..Hα-helixtrans-61.2-46.5175.6-79.1-176.9-178.6138.412.3112.3E169 I170 E171 K175 H176 V177E169-R173 WeakPolarHBondContact O-CB 3.44Å; E169-R173 WeakPolarHBondContact O-CG 3.48Å; E169-R173 PolarHBondContact O-N 3.41Å; E169-R173 IonicContact OE1-CZ 3.11Å; E169-R173 IonicContact OE1-NE 3.17Å; E169-R173 PolarHBondContact OE1-NE 2.97Å; E169-R173 VanDerWaalsContact OE1-NE 3.17Å; E169-R173 IonicContact OE1-NH2 2.75Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å; I170-R173 PolarHBondContact O-N 3.01Å; E171-R173 PolarHBondContact O-N 2.89Å; R173-K175 VanDerWaalsContact C-N 3.34Å; R173-K175 PolarHBondContact O-N 3.33Å; R173-H176 PolarHBondContact O-N 3.47Å; R173-V177 WeakPolarHBondContact O-CG2 3.42Å; R173-V177 PolarHBondContact O-N 2.92Å
174K95.3Very high91.3Very high135 Ų135107.1 Ų107.159%0.58750%0.501SS*.Hα-helixtrans-59.1-45.3176-73.8174.1-177.7172.20111.2I170 E171 N178I170-K174 HydrophobicContact CG2-CD 4.3Å; I170-K174 WeakPolarHBondContact O-CG 3.29Å; I170-K174 PolarHBondContact O-N 3.39Å; E171-K174 PolarHBondContact O-N 3.38Å; K174-N178 WeakPolarHBondContact O-CB 3.33Å; K174-N178 PolarHBondContact O-N 2.91Å; K174-N178 PolarHBondContact O-ND2 3.21Å
175K94.3Very high91.5Very high162 Ų162105.6 Ų105.670%0.70450%0.503SS*.Hα-helixtrans-64.3-41.9176.8-172.2179.1-179.1-179.80111.7E171 W172 R173 N178 S179E171-K175 WeakPolarHBondContact O-CB 3.46Å; E171-K175 PolarHBondContact O-N 3.45Å; W172-K175 PolarHBondContact O-N 3.13Å; R173-K175 VanDerWaalsContact C-N 3.34Å; R173-K175 PolarHBondContact O-N 3.33Å; K175-N178 PolarHBondContact O-N 3.31Å; K175-S179 VanDerWaalsContact O-CB 3.27Å; K175-S179 WeakPolarHBondContact O-CB 3.41Å; K175-S179 PolarHBondContact O-N 3.22Å
176H92Very high91.4Very high76 Ų76103.6 Ų103.635%0.35250%0.497SS..Hα-helixtrans-62.8-48.6178.2-17088.1000111.1W172 R173 N178 S179 R180W172-H176 HydrophobicContact CE3-CB 4.45Å; W172-H176 HydrophobicContact CH2-CB 4.44Å; W172-H176 AromaticContact CH2-ND1 3.89Å; W172-H176 AromaticContact CZ2-ND1 3.87Å; W172-H176 HydrophobicContact CZ3-CB 4.36Å; W172-H176 VanDerWaalsContact O-CB 3.28Å; W172-H176 WeakPolarHBondContact O-CB 3.47Å; W172-H176 PolarHBondContact O-N 3.45Å; R173-H176 PolarHBondContact O-N 3.47Å; H176-N178 PolarHBondContact O-N 3.28Å; H176-S179 PolarHBondContact O-N 3.27Å; H176-R180 PolarHBondContact NE2-NE 3.11Å; H176-R180 WeakPolarHBondContact O-CB 3.43Å; H176-R180 WeakPolarHBondContact O-CG 3.27Å; H176-R180 PolarHBondContact O-N 2.68Å
177V94.2Very high91Very high73 Ų73104.3 Ų104.344%0.44250%0.496SS..Hα-helixtrans-59.5-45.6176.5171.20000111R173 R180 K181R173-V177 WeakPolarHBondContact O-CG2 3.42Å; R173-V177 PolarHBondContact O-N 2.92Å; V177-R180 PolarHBondContact O-N 3.21Å; V177-K181 HydrophobicContact CG1-CD 4.27Å; V177-K181 WeakPolarHBondContact O-CG 3.4Å; V177-K181 PolarHBondContact O-N 3.24Å
178N94.7Very high90.5Very high91 Ų91101.6 Ų101.649%0.48749%0.49SS..Hα-helixtrans-64.5-41.7177.6-74.5-17.4000112.5K174 K175 H176 K181 Q182K174-N178 WeakPolarHBondContact O-CB 3.33Å; K174-N178 PolarHBondContact O-N 2.91Å; K174-N178 PolarHBondContact O-ND2 3.21Å; K175-N178 PolarHBondContact O-N 3.31Å; H176-N178 PolarHBondContact O-N 3.28Å; N178-K181 PolarHBondContact O-N 3.22Å; N178-Q182 WeakPolarHBondContact O-CG 3.38Å; N178-Q182 PolarHBondContact O-N 3.21Å
179S91.7Very high90.1Very high69 Ų69104.6 Ų104.648%0.48351%0.508SS..Hα-helixtrans-60.8-47.1175.7-175.80000111.3K175 H176 K181 Q182 E183K175-S179 VanDerWaalsContact O-CB 3.27Å; K175-S179 WeakPolarHBondContact O-CB 3.41Å; K175-S179 PolarHBondContact O-N 3.22Å; H176-S179 PolarHBondContact O-N 3.27Å; S179-K181 PolarHBondContact O-N 2.9Å; S179-Q182 PolarHBondContact O-N 3.47Å; S179-E183 WeakPolarHBondContact O-CB 3.29Å; S179-E183 PolarHBondContact O-N 3.35Å
180R91.4Very high89.3Confident115 Ų115111 Ų11143%0.43453%0.53SS..Hα-helixtrans-61.8-39.9174.8-69.7-63-167.51764.9112.6H176 V177 E183 R184H176-R180 PolarHBondContact NE2-NE 3.11Å; H176-R180 WeakPolarHBondContact O-CB 3.43Å; H176-R180 WeakPolarHBondContact O-CG 3.27Å; H176-R180 PolarHBondContact O-N 2.68Å; V177-R180 PolarHBondContact O-N 3.21Å; R180-E183 IonicContact CZ-OE2 3.98Å; R180-E183 IonicContact NH1-OE2 2.69Å; R180-E183 PolarHBondContact NH1-OE2 3.12Å; R180-E183 PolarHBondContact O-N 2.97Å; R180-R184 VanDerWaalsContact O-CG 3.29Å; R180-R184 WeakPolarHBondContact O-CG 3.23Å; R180-R184 PolarHBondContact O-N 2.8Å
181K92.8Very high87.7Confident122 Ų122115.5 Ų115.553%0.5354%0.542SS..Hα-helixtrans-61.6-44.6173.6-76.2179.1-179.5-178.20111.2V177 N178 S179 R184 L185V177-K181 HydrophobicContact CG1-CD 4.27Å; V177-K181 WeakPolarHBondContact O-CG 3.4Å; V177-K181 PolarHBondContact O-N 3.24Å; N178-K181 PolarHBondContact O-N 3.22Å; S179-K181 PolarHBondContact O-N 2.9Å; K181-R184 PolarHBondContact O-N 3.22Å; K181-L185 WeakPolarHBondContact O-CG 3.4Å; K181-L185 PolarHBondContact O-N 2.9Å
182Q90.4Very high86.1Confident139 Ų139112 Ų11265%0.6553%0.534SS*.Hα-helixtrans-66.1-42.1176.6-72.8-179.87.400112.9N178 S179 R184 L185 S186N178-Q182 WeakPolarHBondContact O-CG 3.38Å; N178-Q182 PolarHBondContact O-N 3.21Å; S179-Q182 PolarHBondContact O-N 3.47Å; Q182-R184 VanDerWaalsContact C-N 3.34Å; Q182-R184 PolarHBondContact O-N 3.26Å; Q182-L185 PolarHBondContact O-N 3.35Å; Q182-S186 WeakPolarHBondContact O-CB 3.4Å; Q182-S186 PolarHBondContact O-N 2.84Å; Q182-S186 PolarHBondContact O-OG 2.72Å
183E87.7Confident84.7Confident85 Ų85111.9 Ų111.940%0.39755%0.551SS.*Hα-helixtrans-57.1-47.6174.1-171.8-170174.600110.5S179 R180 L185 S186 N187S179-E183 WeakPolarHBondContact O-CB 3.29Å; S179-E183 PolarHBondContact O-N 3.35Å; R180-E183 IonicContact CZ-OE2 3.98Å; R180-E183 IonicContact NH1-OE2 2.69Å; R180-E183 PolarHBondContact NH1-OE2 3.12Å; R180-E183 PolarHBondContact O-N 2.97Å; E183-L185 PolarHBondContact O-N 3.05Å; E183-S186 PolarHBondContact O-N 2.99Å; E183-S186 PolarHBondContact O-OG 3.16Å; E183-N187 VanDerWaalsContact O-CB 3.31Å; E183-N187 WeakPolarHBondContact O-CB 3.18Å; E183-N187 PolarHBondContact O-N 3.1Å; E183-N187 PolarHBondContact O-ND2 3.33Å
184R87.1Confident83Confident178 Ų178111.1 Ų111.167%0.67256%0.561SS**Hα-helixtrans-61-44.7176.1-71.8176.2-168.2168.43112.5R180 K181 Q182 N187 A188R180-R184 VanDerWaalsContact O-CG 3.29Å; R180-R184 WeakPolarHBondContact O-CG 3.23Å; R180-R184 PolarHBondContact O-N 2.8Å; K181-R184 PolarHBondContact O-N 3.22Å; Q182-R184 VanDerWaalsContact C-N 3.34Å; Q182-R184 PolarHBondContact O-N 3.26Å; R184-N187 PolarHBondContact O-N 3.09Å; R184-A188 VanDerWaalsContact O-CB 3.29Å; R184-A188 WeakPolarHBondContact O-CB 3.45Å; R184-A188 PolarHBondContact O-N 3.47Å
185L89Confident80.9Confident127 Ų127109.1 Ų109.167%0.66556%0.556SS**Hα-helixtrans-64.1-44.2177.9-73.1169.8000112.2K181 Q182 E183 A188 S189K181-L185 WeakPolarHBondContact O-CG 3.4Å; K181-L185 PolarHBondContact O-N 2.9Å; Q182-L185 PolarHBondContact O-N 3.35Å; E183-L185 PolarHBondContact O-N 3.05Å; L185-A188 PolarHBondContact O-N 3.37Å; L185-S189 PolarHBondContact O-N 2.92Å
186S85.9Confident78.8Confident56 Ų56106.8 Ų106.839%0.39256%0.56SS.*Hα-helixtrans-65.5-40.5177.166.60000112.1Q182 E183 S189 R190Q182-S186 WeakPolarHBondContact O-CB 3.4Å; Q182-S186 PolarHBondContact O-N 2.84Å; Q182-S186 PolarHBondContact O-OG 2.72Å; E183-S186 PolarHBondContact O-N 2.99Å; E183-S186 PolarHBondContact O-OG 3.16Å; S186-S189 PolarHBondContact O-N 3.29Å; S186-R190 WeakPolarHBondContact O-CG 3.37Å; S186-R190 PolarHBondContact O-N 3.15Å
187N81Confident76.9Confident72 Ų72107.6 Ų107.639%0.38557%0.571SS.*Hα-helixtrans-65.6-39173.5-76.6-22.3000111.6E183 R184 R190 R191E183-N187 VanDerWaalsContact O-CB 3.31Å; E183-N187 WeakPolarHBondContact O-CB 3.18Å; E183-N187 PolarHBondContact O-N 3.1Å; E183-N187 PolarHBondContact O-ND2 3.33Å; R184-N187 PolarHBondContact O-N 3.09Å; N187-R190 PolarHBondContact O-N 3.11Å; N187-R191 VanDerWaalsContact O-CG 3.32Å; N187-R191 WeakPolarHBondContact O-CG 3.4Å; N187-R191 PolarHBondContact O-N 3.37Å; N187-R191 VanDerWaalsContact O-N 3.16Å
188A82.1Confident74.7Confident56 Ų56114.7 Ų114.746%0.46359%0.589SS.*Hα-helixtrans-65-39.4174.300000112.1R184 L185 R190 R191R184-A188 VanDerWaalsContact O-CB 3.29Å; R184-A188 WeakPolarHBondContact O-CB 3.45Å; R184-A188 PolarHBondContact O-N 3.47Å; L185-A188 PolarHBondContact O-N 3.37Å; A188-R190 VanDerWaalsContact C-N 3.33Å; A188-R190 PolarHBondContact O-N 3.09Å; A188-R191 WeakPolarHBondContact O-CB 3.49Å; A188-R191 PolarHBondContact O-N 3.38Å
189S82Confident72.5Confident106 Ų106121.7 Ų121.774%0.74161%0.609SS**Hα-helixtrans-70-27.3175.6-175.20000113.5L185 S186 R191L185-S189 PolarHBondContact O-N 2.92Å; S186-S189 PolarHBondContact O-N 3.29Å; S189-R191 VanDerWaalsContact C-N 3.35Å
190R73.8Confident70.4Confident184 Ų184123.1 Ų123.169%0.69462%0.615SS**Hα-helixtrans-79.3-16.9173.3-73.1179.6-177.9-131.62.4112.8S186 N187 A188 S192S186-R190 WeakPolarHBondContact O-CG 3.37Å; S186-R190 PolarHBondContact O-N 3.15Å; N187-R190 PolarHBondContact O-N 3.11Å; A188-R190 VanDerWaalsContact C-N 3.33Å; A188-R190 PolarHBondContact O-N 3.09Å; R190-S192 PolarHBondContact O-N 3.31Å
191R59.1Low68.3Low165 Ų165122.1 Ų122.162%0.62363%0.625SS**SBendtrans-70.7121.3179.1-77.8171.4-171.2-165.31.1109.7N187 A188 S189N187-R191 VanDerWaalsContact O-CG 3.32Å; N187-R191 WeakPolarHBondContact O-CG 3.4Å; N187-R191 PolarHBondContact O-N 3.37Å; N187-R191 VanDerWaalsContact O-N 3.16Å; A188-R191 WeakPolarHBondContact O-CB 3.49Å; A188-R191 PolarHBondContact O-N 3.38Å; S189-R191 VanDerWaalsContact C-N 3.35Å
192S59.9Low66Low67 Ų67123.6 Ų123.647%0.46963%0.632SS.*  trans-54.9135.9160.3159.30000109.1R190 V194R190-S192 PolarHBondContact O-N 3.31Å; S192-V194 PolarHBondContact O-N 2.95Å
193P61.2Low64.1Low137 Ų137123.6 Ų123.689%0.8964%0.637SS**THydrogen-bonded Turntrans-65.52.9-177.125-33.1000114.8
194V57.4Low62.3Low119 Ų119127.1 Ų127.172%0.72166%0.657SS**THydrogen-bonded Turntrans-101.8-6.1-169.5-175.20000113.6S192 S196S192-V194 PolarHBondContact O-N 2.95Å; V194-S196 PolarHBondContact O-N 2.92Å; V194-S196 VanDerWaalsContact O-N 3.07Å
195L51.1Low60.5Low93 Ų93125.1 Ų125.149%0.48766%0.664SS.*  trans-82.891-179.3-66.1179.8000112.2T197 D240L195-T197 PolarHBondContact O-N 3.33Å; L195-T197 VanDerWaalsContact O-N 3.08Å; L195-D240 WeakPolarHBondContact CD2-OD1 3.34Å
196S50.3Low58.8Low112 Ų112127.7 Ų127.778%0.78367%0.673SS**  trans-67.599.2167.3-177.40000110V194 R198V194-S196 PolarHBondContact O-N 2.92Å; V194-S196 VanDerWaalsContact O-N 3.07Å; S196-R198 PolarHBondContact O-N 3.42Å
197T51.7Low57Low94 Ų94134.1 Ų134.158%0.57770%0.697SS**  trans-72.5106.4168.950.70000109L195 R199L195-T197 PolarHBondContact O-N 3.33Å; L195-T197 VanDerWaalsContact O-N 3.08Å; T197-R199 PolarHBondContact O-N 3.41Å
198R48.2Very low55.5Low221 Ų221136.3 Ų136.383%0.83471%0.712SS**  trans-69.4119.5167.1-107.5-179.3176.5161.9-0.8109.2S196S196-R198 PolarHBondContact O-N 3.42Å
199R49.6Very low53.6Low238 Ų238141.5 Ų141.590%0.89873%0.732SS**  trans-71.6129.3167.7-66.9172.468.8-178.22.6108T197T197-R199 PolarHBondContact O-N 3.41Å
200V46.3Very low51.9Low100 Ų100139.9 Ų139.961%0.60673%0.732SS**  trans-121.4110.8166.3-1760000105.7F202V200-F202 HydrophobicContact CG1-CE1 4.5Å; V200-F202 HydrophobicContact CG1-CE2 4.14Å; V200-F202 HydrophobicContact CG1-CZ 4.07Å
201S48.4Very low50.1Low94 Ų94139.8 Ų139.866%0.65774%0.739SS**  trans-88.8135.116846.90000108.4
202F43.8Very low49.2Very low153 Ų153141.4 Ų141.467%0.67175%0.753SS**  trans-100.7106.3165.4-63.5-86.2000106.2V200 L204V200-F202 HydrophobicContact CG1-CE1 4.5Å; V200-F202 HydrophobicContact CG1-CE2 4.14Å; V200-F202 HydrophobicContact CG1-CZ 4.07Å; F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 3.37Å
203D49.6Very low48.3Very low139 Ų139145.5 Ų145.574%0.74377%0.765SS**  trans-69.995.6168.8-70.9-29.3000107.4V205D203-V205 PolarHBondContact O-N 3.35Å
204L51.9Low47.2Very low159 Ų159144 Ų14483%0.83275%0.753SS**THydrogen-bonded Turntrans-79.19.9177.9-160.765.5000112.3F202F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 3.37Å
205V48.8Very low46.1Very low135 Ų135144.7 Ų144.782%0.81875%0.753SS**THydrogen-bonded Turntrans-102.8-0.6-164.8-178.80000113.9D203D203-V205 PolarHBondContact O-N 3.35Å
206E52.8Low45.5Very low182 Ų182146.9 Ų146.985%0.8577%0.774SS**SBendtrans-117.611.9-171.2-139166.3-164.500117
207Q48.3Very low45.2Very low190 Ų190150.2 Ų150.289%0.88878%0.777SS**SBendtrans-128.4-4.4-179.9-84.5-175.9000117.3
208V50.2Low44.5Very low118 Ų118153 Ų15372%0.71579%0.789SS**SBendtrans-142.9110.2-177.1-176.70000108.4
209L41.9Very low44Very low166 Ų166150.7 Ų150.787%0.86979%0.791SS**  trans90.195.4170.6-54.6158.7000115.7
210G44.9Very low43.4Very low72 Ų72143.5 Ų143.574%0.74278%0.778SS**  trans-63.7139.715800000111.6
211E36.8Very low42.9Very low181 Ų181145.5 Ų145.585%0.84679%0.785SS**  trans46.4101141.1-59.2178.7178.600117.5
212H40.7Very low42.4Very low199 Ų199146.6 Ų146.692%0.92179%0.793SS**  -155.9128.8121.6-117.2-84.5000111.8
213H41.6Very low42.4Very low154 Ų154148.3 Ų148.371%0.71380%0.803SS**  trans-65.2151.6-176.5-90.7-89.2000114.6
214T36.7Very low41.8Very low105 Ų105146.5 Ų146.564%0.64480%0.801SS**  trans62.1137.8131.3620000118.1
215D34.8Very low41.4Very low134 Ų134146.7 Ų146.772%0.71780%0.802SS**  cis-162.6146.511.8-77.9-39.5000105.8
216C38.2Very low40.8Very low138 Ų138148 Ų14893%0.93280%0.804SS**  trans-155.7124.4151.7-90.20000108.6
217E44.4Very low40.6Very low182 Ų182146.7 Ų146.785%0.8580%0.803SS**  trans-75.3148.9-167.2-58.2-174.1142.500114.7
218N36.3Very low40.5Very low152 Ų152144.8 Ų144.881%0.81380%0.799SS**  trans18.4111.9142.3-73.7-26.3000119.3
219I37.5Very low40.3Very low174 Ų174148.4 Ų148.489%0.89281%0.805SS**  trans-120.4117.7135-65.1177.8000108.1
220S38.8Very low40.5Very low87 Ų87148.5 Ų148.561%0.60881%0.807SS**  trans-77155-176.9-159.60000112.2
221N34.9Very low40.9Very low142 Ų142151.2 Ų151.276%0.75980%0.803SS**  trans92.596.2156.4-48.7-25.2000117.8
222S37.6Very low41.5Very low117 Ų117148.4 Ų148.482%0.81880%0.804SS**  173.7127.1106.9440000111.6
223E44Very low42.4Very low189 Ų189143.9 Ų143.988%0.88379%0.79SS**  trans35.7102.1162.8-71.2-177.9147.400120.5
224S37.6Very low43.2Very low100 Ų100142.7 Ų142.770%0.69979%0.788SS**  trans-29.4119.2154.853.50000117.6
225D42.3Very low44.4Very low163 Ų163145 Ų14587%0.87279%0.791SS**  -13893.8121.6-98.1-21.2000105.4D227D225-D227 PolarHBondContact O-N 3.29Å
226L36.2Very low45.6Very low164 Ų164144.9 Ų144.986%0.85978%0.784SS**  trans-79.991.2178.3-75.1167.9000108.8
227D48.2Very low46.6Very low154 Ų154147.3 Ų147.382%0.82478%0.782SS**  trans-113.9101.1161.2-78.4-25.6000108.6D225D225-D227 PolarHBondContact O-N 3.29Å
228D46.4Very low47.3Very low150 Ų150145.4 Ų145.480%0.80277%0.773SS**  trans32.5106159.1-68.6-25.5000118.8N230D228-N230 PolarHBondContact O-N 3.48Å
229K47.2Very low48.7Very low194 Ų194142.3 Ų142.384%0.84376%0.763SS**THydrogen-bonded Turntrans-30.2113.6164.6-68.9177175.5178.20113.3L231K229-L231 VanDerWaalsContact C-N 3.32Å; K229-L231 PolarHBondContact O-N 3.06Å
230N46Very low50.1Low168 Ų168140.6 Ų140.690%0.89876%0.756SS**THydrogen-bonded Turntrans40.641.3146.4-74.3-4.9000118.5D228D228-N230 PolarHBondContact O-N 3.48Å
231L52.1Low51.6Low128 Ų128141.2 Ų141.267%0.6776%0.756SS**  trans-109.6103.1164-72.5167.7000109.3K229 T233K229-L231 VanDerWaalsContact C-N 3.32Å; K229-L231 PolarHBondContact O-N 3.06Å; L231-T233 VanDerWaalsContact C-N 3.34Å; L231-T233 PolarHBondContact O-N 3.43Å; L231-T233 PolarHBondContact O-OG1 3.08Å
232S49.9Very low53.2Low123 Ų123140 Ų14086%0.8676%0.756SS**  trans-55.895.4169-54.80000109.5I234S232-I234 PolarHBondContact O-N 3.46Å
233T59Low54.6Low103 Ų103139.3 Ų139.363%0.63275%0.751SS**  trans-79.5113.6-177.3-63.40000109.4L231L231-T233 VanDerWaalsContact C-N 3.34Å; L231-T233 PolarHBondContact O-N 3.43Å; L231-T233 PolarHBondContact O-OG1 3.08Å
234I60Low55.9Low129 Ų129134.3 Ų134.366%0.66274%0.735SS**  trans-88.8119173.3-60.2172000108.4S232 F236S232-I234 PolarHBondContact O-N 3.46Å; I234-F236 HydrophobicContact CG2-CE1 4.36Å; I234-F236 HydrophobicContact CG2-CE2 4.1Å; I234-F236 HydrophobicContact CG2-CZ 3.99Å
235H60.7Low57.8Low153 Ų153137 Ų13771%0.70874%0.739SS**  trans-90.3121.1173.4-64.9-73.1000110.6
236F60.7Low59.5Low133 Ų133132.1 Ų132.158%0.58372%0.717SS**  trans-88.5115.6170.6-63.9-83.5000110.1I234 H238I234-F236 HydrophobicContact CG2-CE1 4.36Å; I234-F236 HydrophobicContact CG2-CE2 4.1Å; I234-F236 HydrophobicContact CG2-CZ 3.99Å; F236-H238 PolarHBondContact O-ND1 2.84Å
237Q58Low61.5Low188 Ų188129.8 Ų129.888%0.87970%0.697SS**PPolyproline II helixtrans-79.1116.1166.5-68.5-178-6.400108.3
238H58.9Low62.8Low142 Ų142131.6 Ų131.666%0.65770%0.7SS**PPolyproline II helixtrans-86.9138170.6-62.472.3000107.8F236F236-H238 PolarHBondContact O-ND1 2.84Å
239S66.8Low64.1Low87 Ų87133.1 Ų133.161%0.60870%0.7SS**PPolyproline II helixtrans-70.1145.9171.656.40000110.2T241S239-T241 WeakPolarHBondContact CB-OG1 3.46Å; S239-T241 PolarHBondContact O-N 3.35Å; S239-T241 VanDerWaalsContact O-N 3.08Å; S239-T241 PolarHBondContact OG-OG1 3.47Å
240D67.6Low65.3Low139 Ų139126.3 Ų126.374%0.74367%0.674SS**SBendtrans-66.7-4.8174-67-33.3000113.3L195 P242L195-D240 WeakPolarHBondContact CD2-OD1 3.34Å; D240-P242 WeakPolarHBondContact O-CD 3.45Å
241T68.5Low66.7Low99 Ų99125.6 Ų125.661%0.60768%0.675SS**SBendtrans-76.3115.5177.656.20000108.9S239 S243S239-T241 WeakPolarHBondContact CB-OG1 3.46Å; S239-T241 PolarHBondContact O-N 3.35Å; S239-T241 VanDerWaalsContact O-N 3.08Å; S239-T241 PolarHBondContact OG-OG1 3.47Å; T241-S243 PolarHBondContact O-N 3.44Å
242P69.5Low68Low118 Ų118123.4 Ų123.477%0.76667%0.665SS**PPolyproline II helixtrans-55.2136172.123.9-32.2000108.7D240D240-P242 WeakPolarHBondContact O-CD 3.45Å
243S66.6Low69.4Low102 Ų102122.7 Ų122.771%0.71366%0.655SS**PPolyproline II helixtrans-55.7131.8174.232.50000108.8T241 I245T241-S243 PolarHBondContact O-N 3.44Å; S243-I245 PolarHBondContact O-N 2.88Å
244P71.8Confident70.4Confident84 Ų84122.4 Ų122.455%0.54566%0.657SS.*PPolyproline II helixtrans-56.8132.5178.920.3-30.1000109.5P246 T257P244-P246 WeakPolarHBondContact O-CD 3.31Å; P244-T257 HydrophobicContact CB-CG2 4.42Å; P244-T257 HydrophobicContact CG-CG2 3.79Å
245I78.3Confident71.4Confident155 Ų155119.5 Ų119.580%0.79565%0.645SS**PPolyproline II helixtrans-60.6121.9178.1-60.1169.3000107.4S243 R247S243-I245 PolarHBondContact O-N 2.88Å; I245-R247 PolarHBondContact O-N 3.34Å
246P76.2Confident72.3Confident61 Ų61114.5 Ų114.540%0.39662%0.624SS.*PPolyproline II helixtrans-57.5131.2-179.7-23.933000110.9P244 A259 E260P244-P246 WeakPolarHBondContact O-CD 3.31Å; P246-A259 HydrophobicContact CG-CB 4.42Å; P246-E260 HydrophobicContact CB-CG 4.05Å
247R78.5Confident73.4Confident115 Ų115110.1 Ų110.143%0.43461%0.608SS.*PPolyproline II helixtrans-71.9139.7174.7-62.9167.7-67.8-151.92.9109.3I245 K249 V250 T255 E260I245-R247 PolarHBondContact O-N 3.34Å; R247-K249 VanDerWaalsContact C-N 3.28Å; R247-K249 PolarHBondContact O-N 3.19Å; R247-V250 HydrophobicContact CB-CG2 4.34Å; R247-T255 PolarHBondContact NH2-O 2.9Å; R247-E260 VanDerWaalsContact CB-OE1 3.28Å; R247-E260 WeakPolarHBondContact CB-OE1 3.4Å; R247-E260 WeakPolarHBondContact CG-OE1 3.28Å; R247-E260 IonicContact CZ-OE1 3.46Å; R247-E260 IonicContact CZ-OE2 3.31Å; R247-E260 PolarHBondContact N-OE1 3.09Å; R247-E260 IonicContact NE-OE1 3.64Å; R247-E260 PolarHBondContact NE-OE1 2.86Å; R247-E260 IonicContact NE-OE2 2.95Å; R247-E260 IonicContact NH2-OE1 2.91Å; R247-E260 PolarHBondContact NH2-OE1 3.37Å; R247-E260 IonicContact NH2-OE2 2.83Å; R247-E260 PolarHBondContact NH2-OE2 2.96Å
248E75.5Confident74.4Confident192 Ų192108.2 Ų108.290%0.89760%0.602SS**SBendtrans-66.7-30.8179.5-166178.8-177.900112.6
249K75.1Confident75.5Confident183 Ų183103.6 Ų103.680%0.79659%0.588SS**  trans-135.1126.2174.5-66.1-179.7-177.3175.10109.5R247R247-K249 VanDerWaalsContact C-N 3.28Å; R247-K249 PolarHBondContact O-N 3.19Å
250V72.4Confident76.3Confident50 Ų50100 Ų10030%0.30356%0.562SS.*  trans-106.6121.2174.3-172.70000108.4R247 D252 L256 E260R247-V250 HydrophobicContact CB-CG2 4.34Å; V250-D252 VanDerWaalsContact CG1-O 3.32Å; V250-D252 WeakPolarHBondContact CG1-O 3.31Å; V250-L256 HydrophobicContact CB-CD1 4.02Å; V250-L256 HydrophobicContact CG1-CD1 3.54Å; V250-L256 HydrophobicContact CG1-CG 4.32Å; V250-L256 HydrophobicContact CG2-CD1 4.34Å; V250-E260 HydrophobicContact CG2-CB 4.49Å; V250-E260 HydrophobicContact CG2-CG 4.3Å
251V74.8Confident77Confident153 Ų15395.4 Ų95.493%0.92754%0.544SS*.SBendtrans-82.3-32.5-178.2-178.10000111.5
252D79.1Confident77.7Confident83 Ų8394.6 Ų94.644%0.44454%0.538SS..  trans-126.4117.5-175.3-171.9-11.3000111.2V250 S254 T255V250-D252 VanDerWaalsContact CG1-O 3.32Å; V250-D252 WeakPolarHBondContact CG1-O 3.31Å; D252-S254 PolarHBondContact O-N 2.9Å; D252-S254 WeakPolarHBondContact OD1-CB 3.41Å; D252-S254 PolarHBondContact OD1-N 3.07Å; D252-S254 PolarHBondContact OD1-OG 3.34Å; D252-S254 PolarHBondContact OD2-OG 3.37Å; D252-T255 HydrophobicContact CB-CG2 4.38Å; D252-T255 PolarHBondContact O-N 2.98Å; D252-T255 VanDerWaalsContact O-N 3.17Å; D252-T255 PolarHBondContact O-OG1 2.91Å
253V80.2Confident78.3Confident108 Ų10893.1 Ų93.166%0.65552%0.524SS*.G310 helixtrans-64.5-25-176.9-169.10000111.2T255 L256V253-T255 PolarHBondContact O-N 2.94Å; V253-L256 HydrophobicContact CG1-CD1 4.29Å; V253-L256 PolarHBondContact O-N 2.79Å
254S78.2Confident78.9Confident96 Ų9693.9 Ų93.967%0.67152%0.515SS*.G310 helixtrans-71.4-14.2178.869.70000113.8D252D252-S254 PolarHBondContact O-N 2.9Å; D252-S254 WeakPolarHBondContact OD1-CB 3.41Å; D252-S254 PolarHBondContact OD1-N 3.07Å; D252-S254 PolarHBondContact OD1-OG 3.34Å; D252-S254 PolarHBondContact OD2-OG 3.37Å
255T82.3Confident79.3Confident69 Ų6992.2 Ų92.242%0.42351%0.508SS..G310 helixtrans-107.111.6-178.168.40000113.4R247 D252 V253R247-T255 PolarHBondContact NH2-O 2.9Å; D252-T255 HydrophobicContact CB-CG2 4.38Å; D252-T255 PolarHBondContact O-N 2.98Å; D252-T255 VanDerWaalsContact O-N 3.17Å; D252-T255 PolarHBondContact O-OG1 2.91Å; V253-T255 PolarHBondContact O-N 2.94Å
256L79.8Confident79.3Confident48 Ų4889.1 Ų89.125%0.25149%0.492SS..  trans-66.9131.3-177.1-116.397.3000111.5V250 V253 E260 A261 F264V250-L256 HydrophobicContact CB-CD1 4.02Å; V250-L256 HydrophobicContact CG1-CD1 3.54Å; V250-L256 HydrophobicContact CG1-CG 4.32Å; V250-L256 HydrophobicContact CG2-CD1 4.34Å; V253-L256 HydrophobicContact CG1-CD1 4.29Å; V253-L256 PolarHBondContact O-N 2.79Å; L256-E260 VanDerWaalsContact CD2-C 3.46Å; L256-E260 HydrophobicContact CD2-CB 3.9Å; L256-E260 HydrophobicContact CG-CB 3.88Å; L256-A261 HydrophobicContact CD2-CB 3.7Å; L256-A261 VanDerWaalsContact CD2-N 3.29Å; L256-F264 HydrophobicContact CD2-CB 4.37Å
257T82.4Confident79.4Confident40 Ų4093.5 Ų93.525%0.24551%0.505CS..  trans-75.5158165.9560000110.5P244 A259 E260 A261P244-T257 HydrophobicContact CB-CG2 4.42Å; P244-T257 HydrophobicContact CG-CG2 3.79Å; T257-A259 PolarHBondContact O-N 2.83Å; T257-E260 PolarHBondContact N-OE2 2.82Å; T257-E260 PolarHBondContact O-N 2.83Å; T257-E260 WeakPolarHBondContact OG1-CG 3.31Å; T257-E260 PolarHBondContact OG1-N 3.41Å; T257-E260 PolarHBondContact OG1-OE2 3.32Å; T257-A261 PolarHBondContact O-N 2.69Å
258I80.7Confident79.1Confident149 Ų14991.7 Ų91.776%0.76450%0.503SS*.Hα-helixtrans-54.3-41.6179-61.7171.1000111.1A261 V262I258-A261 WeakPolarHBondContact O-CB 3.49Å; I258-A261 PolarHBondContact O-N 3.32Å; I258-V262 WeakPolarHBondContact O-CG2 3.32Å; I258-V262 PolarHBondContact O-N 3.18Å; I258-V262 VanDerWaalsContact O-N 3.09Å
259A80.4Confident78.5Confident45 Ų4586.8 Ų86.837%0.37249%0.489SS..Hα-helixtrans-64.9-41.6177.800000112.7P246 T257 A261 N263P246-A259 HydrophobicContact CG-CB 4.42Å; T257-A259 PolarHBondContact O-N 2.83Å; A259-A261 VanDerWaalsContact C-N 3.26Å; A259-A261 PolarHBondContact O-N 3.5Å; A259-N263 PolarHBondContact O-N 2.85Å; A259-N263 VanDerWaalsContact O-N 3.08Å
260E84.2Confident77.9Confident10 Ų1084.6 Ų84.65%0.04749%0.486CS..Hα-helixtrans-64.6-33174.4-70.9167.1157.900111.5P246 R247 V250 L256 T257 N263 F264P246-E260 HydrophobicContact CB-CG 4.05Å; R247-E260 VanDerWaalsContact CB-OE1 3.28Å; R247-E260 WeakPolarHBondContact CB-OE1 3.4Å; R247-E260 WeakPolarHBondContact CG-OE1 3.28Å; R247-E260 IonicContact CZ-OE1 3.46Å; R247-E260 IonicContact CZ-OE2 3.31Å; R247-E260 PolarHBondContact N-OE1 3.09Å; R247-E260 IonicContact NE-OE1 3.64Å; R247-E260 PolarHBondContact NE-OE1 2.86Å; R247-E260 IonicContact NE-OE2 2.95Å; R247-E260 IonicContact NH2-OE1 2.91Å; R247-E260 PolarHBondContact NH2-OE1 3.37Å; R247-E260 IonicContact NH2-OE2 2.83Å; R247-E260 PolarHBondContact NH2-OE2 2.96Å; V250-E260 HydrophobicContact CG2-CB 4.49Å; V250-E260 HydrophobicContact CG2-CG 4.3Å; L256-E260 VanDerWaalsContact CD2-C 3.46Å; L256-E260 HydrophobicContact CD2-CB 3.9Å; L256-E260 HydrophobicContact CG-CB 3.88Å; T257-E260 PolarHBondContact N-OE2 2.82Å; T257-E260 PolarHBondContact O-N 2.83Å; T257-E260 WeakPolarHBondContact OG1-CG 3.31Å; T257-E260 PolarHBondContact OG1-N 3.41Å; T257-E260 PolarHBondContact OG1-OE2 3.32Å; E260-N263 PolarHBondContact O-N 2.93Å; E260-F264 VanDerWaalsContact O-CB 3.23Å; E260-F264 WeakPolarHBondContact O-CB 3.44Å; E260-F264 PolarHBondContact O-N 3.39Å
261A82.3Confident77.3Confident44 Ų4486.9 Ų86.936%0.36450%0.5SS..Hα-helixtrans-70.4-42.9-17900000111.3L256 T257 I258 A259 F264 A265L256-A261 HydrophobicContact CD2-CB 3.7Å; L256-A261 VanDerWaalsContact CD2-N 3.29Å; T257-A261 PolarHBondContact O-N 2.69Å; I258-A261 WeakPolarHBondContact O-CB 3.49Å; I258-A261 PolarHBondContact O-N 3.32Å; A259-A261 VanDerWaalsContact C-N 3.26Å; A259-A261 PolarHBondContact O-N 3.5Å; A261-F264 PolarHBondContact O-N 3.29Å; A261-A265 WeakPolarHBondContact O-CB 3.21Å; A261-A265 PolarHBondContact O-N 3.46Å
262V82.8Confident76.2Confident81 Ų8185.7 Ų85.749%0.49148%0.484SS..Hα-helixtrans-62.5-45.41741750000110.6I258 F264 A265 L266I258-V262 WeakPolarHBondContact O-CG2 3.32Å; I258-V262 PolarHBondContact O-N 3.18Å; I258-V262 VanDerWaalsContact O-N 3.09Å; V262-F264 VanDerWaalsContact C-N 3.35Å; V262-F264 PolarHBondContact O-N 2.5Å; V262-A265 PolarHBondContact O-N 2.95Å; V262-L266 HydrophobicContact CG1-CD1 3.96Å; V262-L266 HydrophobicContact CG1-CG 4.43Å; V262-L266 WeakPolarHBondContact O-CB 3.47Å; V262-L266 WeakPolarHBondContact O-CG 3.49Å; V262-L266 PolarHBondContact O-N 2.96Å
263N82.2Confident74.7Confident88 Ų8889.4 Ų89.447%0.47150%0.504SS..Hα-helixtrans-63.6-39.7176.8-76.9-16.4000112.5A259 E260 L266 K267A259-N263 PolarHBondContact O-N 2.85Å; A259-N263 VanDerWaalsContact O-N 3.08Å; E260-N263 PolarHBondContact O-N 2.93Å; N263-L266 PolarHBondContact O-N 3.26Å; N263-K267 WeakPolarHBondContact O-CB 3.41Å; N263-K267 PolarHBondContact O-N 3.47Å
264F79.4Confident73Confident118 Ų11893.4 Ų93.452%0.51851%0.513SS..Hα-helixtrans-63.5-45.6176.3-172.9-101.1000111.2L256 E260 A261 V262 K267 I268L256-F264 HydrophobicContact CD2-CB 4.37Å; E260-F264 VanDerWaalsContact O-CB 3.23Å; E260-F264 WeakPolarHBondContact O-CB 3.44Å; E260-F264 PolarHBondContact O-N 3.39Å; A261-F264 PolarHBondContact O-N 3.29Å; V262-F264 VanDerWaalsContact C-N 3.35Å; V262-F264 PolarHBondContact O-N 2.5Å; F264-K267 PolarHBondContact O-N 3.19Å; F264-I268 HydrophobicContact CD1-CD1 3.65Å; F264-I268 HydrophobicContact CE1-CD1 3.36Å; F264-I268 HydrophobicContact CE1-CG1 4.45Å; F264-I268 HydrophobicContact CG-CD1 4.48Å; F264-I268 HydrophobicContact CZ-CD1 3.96Å; F264-I268 WeakPolarHBondContact O-CG1 3.28Å; F264-I268 PolarHBondContact O-N 3.45Å; F264-I268 VanDerWaalsContact O-N 3.07Å
265A80.1Confident71.3Confident48 Ų4898.3 Ų98.340%0.39752%0.522SS..Hα-helixtrans-62.4-45.6175.500000112.1A261 V262 K267 I268 C269A261-A265 WeakPolarHBondContact O-CB 3.21Å; A261-A265 PolarHBondContact O-N 3.46Å; V262-A265 PolarHBondContact O-N 2.95Å; A265-K267 VanDerWaalsContact C-N 3.3Å; A265-K267 PolarHBondContact O-N 2.89Å; A265-I268 PolarHBondContact O-N 3.25Å; A265-C269 PolarHBondContact O-N 3.05Å; A265-C269 PolarHBondContact O-SG 3.14Å
266L79.5Confident69.4Low90 Ų90103.8 Ų103.847%0.47154%0.54SS..Hα-helixtrans-60.5-39.2176.2-75.4170.3000112V262 N263 C269 N270V262-L266 HydrophobicContact CG1-CD1 3.96Å; V262-L266 HydrophobicContact CG1-CG 4.43Å; V262-L266 WeakPolarHBondContact O-CB 3.47Å; V262-L266 WeakPolarHBondContact O-CG 3.49Å; V262-L266 PolarHBondContact O-N 2.96Å; N263-L266 PolarHBondContact O-N 3.26Å; L266-C269 PolarHBondContact O-N 3.38Å; L266-N270 WeakPolarHBondContact O-CB 3.45Å; L266-N270 PolarHBondContact O-N 3.46Å; L266-N270 PolarHBondContact O-ND2 3.21Å
267K76.9Confident67.7Low153 Ų153108.4 Ų108.467%0.66557%0.57SS**Hα-helixtrans-64.7-40.6177-159.8173.2-173.1176.30111.6N263 F264 A265 N270 T271N263-K267 WeakPolarHBondContact O-CB 3.41Å; N263-K267 PolarHBondContact O-N 3.47Å; F264-K267 PolarHBondContact O-N 3.19Å; A265-K267 VanDerWaalsContact C-N 3.3Å; A265-K267 PolarHBondContact O-N 2.89Å; K267-N270 PolarHBondContact O-N 3.27Å; K267-T271 WeakPolarHBondContact O-CG2 3.48Å; K267-T271 PolarHBondContact O-N 2.69Å; K267-T271 PolarHBondContact O-OG1 3.12Å; K267-T271 VanDerWaalsContact O-OG1 3.12Å
268I73Confident65.9Low78 Ų78114.2 Ų114.240%0.459%0.592SS.*Hα-helixtrans-64.4-44.1174.6-67.9168.2000110.8F264 A265 N270 T271 H272F264-I268 HydrophobicContact CD1-CD1 3.65Å; F264-I268 HydrophobicContact CE1-CD1 3.36Å; F264-I268 HydrophobicContact CE1-CG1 4.45Å; F264-I268 HydrophobicContact CG-CD1 4.48Å; F264-I268 HydrophobicContact CZ-CD1 3.96Å; F264-I268 WeakPolarHBondContact O-CG1 3.28Å; F264-I268 PolarHBondContact O-N 3.45Å; F264-I268 VanDerWaalsContact O-N 3.07Å; A265-I268 PolarHBondContact O-N 3.25Å; I268-N270 VanDerWaalsContact C-N 3.3Å; I268-N270 PolarHBondContact O-N 3.12Å; I268-T271 PolarHBondContact O-N 3.33Å; I268-T271 PolarHBondContact O-OG1 3.08Å; I268-T271 VanDerWaalsContact O-OG1 3.08Å; I268-H272 PolarHBondContact O-CD2 3.23Å; I268-H272 PolarHBondContact O-N 3.32Å
269C62.5Low64.1Low88 Ų88112.6 Ų112.660%0.59559%0.591SS**Hα-helixtrans-64.9-33.3178.4-680000112.6A265 L266A265-C269 PolarHBondContact O-N 3.05Å; A265-C269 PolarHBondContact O-SG 3.14Å; L266-C269 PolarHBondContact O-N 3.38Å
270N63.9Low62.5Low137 Ų137117 Ų11773%0.73361%0.613SS**Hα-helixtrans-79.3-20178.9-68.7-14.8000113.4L266 K267 I268L266-N270 WeakPolarHBondContact O-CB 3.45Å; L266-N270 PolarHBondContact O-N 3.46Å; L266-N270 PolarHBondContact O-ND2 3.21Å; K267-N270 PolarHBondContact O-N 3.27Å; I268-N270 VanDerWaalsContact C-N 3.3Å; I268-N270 PolarHBondContact O-N 3.12Å
271T59.7Low60.9Low98 Ų98124.6 Ų124.660%0.60165%0.648SS**Hα-helixtrans-92.9-9.6177.851.70000114.1K267 I268K267-T271 WeakPolarHBondContact O-CG2 3.48Å; K267-T271 PolarHBondContact O-N 2.69Å; K267-T271 PolarHBondContact O-OG1 3.12Å; K267-T271 VanDerWaalsContact O-OG1 3.12Å; I268-T271 PolarHBondContact O-N 3.33Å; I268-T271 PolarHBondContact O-OG1 3.08Å; I268-T271 VanDerWaalsContact O-OG1 3.08Å
272H51.6Low59.3Low129 Ų129128.1 Ų128.160%0.59767%0.668SS**SBendtrans-111.4102.2178.7-74-60000110.8I268 K274I268-H272 PolarHBondContact O-CD2 3.23Å; I268-H272 PolarHBondContact O-N 3.32Å; H272-K274 PolarHBondContact O-N 2.89Å
273D46Very low57.2Low160 Ų160131.8 Ų131.886%0.85668%0.684SS**  trans-44.2134.1158.9-93-41.8000110.4K275D273-K275 PolarHBondContact O-N 3.35Å
274K44.5Very low55Low192 Ų192130.5 Ų130.584%0.83569%0.691SS**SBendtrans-32.6125.2177.7-61.5168.4-179.3175.70111.2H272H272-K274 PolarHBondContact O-N 2.89Å
275K43.7Very low53.1Low200 Ų200132 Ų13287%0.8771%0.705SS**  trans104.178.3169.9-55.6163.9-176.9-177.60115.4D273D273-K275 PolarHBondContact O-N 3.35Å
276K42.1Very low51.4Low184 Ų184137 Ų13780%0.872%0.723SS**  trans-154.3100.2144.3-110.7173.3-174.4-178.60109.4F278K276-F278 PolarHBondContact O-N 3.39Å
277V43.8Very low49.8Very low144 Ų144140.4 Ų140.487%0.87374%0.739SS**  trans-71.2113.8166.7176.90000106.1
278F44Very low48.4Very low163 Ų163141.8 Ų141.872%0.71575%0.747SS**  trans-77.3129.9167.2-77.4-85.1000108K276 V280K276-F278 PolarHBondContact O-N 3.39Å; F278-V280 PolarHBondContact O-N 2.8Å
279P43.7Very low46.9Very low114 Ų114149.6 Ų149.674%0.7477%0.772SS**  trans-67.1119.7174.824.9-25.3000108.2E281P279-E281 PolarHBondContact O-N 3.38Å
280V46.1Very low46Very low139 Ų139153.9 Ų153.984%0.84278%0.783SS**  trans-78.3102.2168.1178.60000105.8F278F278-V280 PolarHBondContact O-N 2.8Å
281E51.2Low45Very low168 Ų168153 Ų15379%0.78579%0.785SS**  trans-62136.1163.3-69.2-166.8167.200108.2P279 L283P279-E281 PolarHBondContact O-N 3.38Å; E281-L283 PolarHBondContact O-N 2.73Å
282P48.7Very low44.3Very low119 Ų119155.7 Ų155.777%0.77380%0.796SS**  trans-57.7136.5174.426.3-32.1000107.7G284P282-G284 VanDerWaalsContact C-N 3.25Å; P282-G284 PolarHBondContact O-N 2.83Å
283L39.8Very low43.5Very low158 Ų158156.8 Ų156.883%0.82781%0.811SS**  trans-57.685.7-175.9-154.682.4000110.4E281 I286E281-L283 PolarHBondContact O-N 2.73Å; L283-I286 HydrophobicContact CD2-CD1 4.3Å
284G35.3Very low43.2Very low60 Ų60157.1 Ų157.162%0.61981%0.812SS**  trans-82.4136.4174.500000109.6P282P282-G284 VanDerWaalsContact C-N 3.25Å; P282-G284 PolarHBondContact O-N 2.83Å
285D39.3Very low42.9Very low150 Ų150152.3 Ų152.380%0.80281%0.808SS**  trans72.766.9168.1-53.3-17.9000117.2M287D285-M287 VanDerWaalsContact C-N 3.27Å; D285-M287 PolarHBondContact O-N 3.46Å; D285-M287 VanDerWaalsContact O-N 3.11Å
286I43.5Very low42.3Very low153 Ų153153.1 Ų153.179%0.78581%0.812SS**  trans-75.487.3149.7-57175.4000107.4L283L283-I286 HydrophobicContact CD2-CD1 4.3Å
287M47.4Very low42.1Very low162 Ų162148.5 Ų148.580%0.79881%0.807SS**  trans-82120.2166.7-75.6-175.868.200109.9D285 R289D285-M287 VanDerWaalsContact C-N 3.27Å; D285-M287 PolarHBondContact O-N 3.46Å; D285-M287 VanDerWaalsContact O-N 3.11Å; M287-R289 PolarHBondContact O-N 2.89Å
288E47.4Very low41.8Very low181 Ų181148 Ų14885%0.84680%0.804SS**  trans-63114.6171.4-165.7175.3-163.300109.5Q290E288-Q290 PolarHBondContact O-N 3.17Å; E288-Q290 VanDerWaalsContact O-N 3.09Å
289R41.9Very low41.2Very low243 Ų243147.6 Ų147.692%0.91781%0.81SS**  trans-69.1106175.8-80.3-175.2174.4171.7-0.7109.4M287M287-R289 PolarHBondContact O-N 2.89Å
290Q43.3Very low40.8Very low177 Ų177149.3 Ų149.383%0.82781%0.812SS**  trans-64.4140.3168.8-66.6-140.6-31.200111.2E288 N292E288-Q290 PolarHBondContact O-N 3.17Å; E288-Q290 VanDerWaalsContact O-N 3.09Å; Q290-N292 PolarHBondContact O-N 3.29Å
291P41.9Very low40.1Very low120 Ų120148.5 Ų148.578%0.77981%0.808SS**SBendtrans-76.3115.9178.530.8-29.7000109.7
292N46.1Very low39.3Very low154 Ų154145.3 Ų145.382%0.82480%0.803SS**  trans66.192.6154.6-64-17.2000118.7Q290 L294Q290-N292 PolarHBondContact O-N 3.29Å; N292-L294 PolarHBondContact O-N 3.26Å
293V33.5Very low38.6Very low151 Ų151147 Ų14792%0.91580%0.801SS**  trans-76.4102.8144.1177.50000108.1
294L40.2Very low38.3Very low167 Ų167146.7 Ų146.787%0.87480%0.797SS**  trans-142.8128.5156-158.576.6000108.9N292N292-L294 PolarHBondContact O-N 3.26Å
295A37.7Very low38Very low92 Ų92148.7 Ų148.776%0.7680%0.802SS**  trans86.568.6172.100000118.2
296K31.7Very low37.7Very low217 Ų217146.4 Ų146.494%0.94380%0.798SS**  trans-72108.9130.4-86.1176.9175.7175.10107.5
297A36.8Very low37.1Very low86 Ų86145 Ų14571%0.71180%0.796SS**  trans-169.3129.7147.800000110.9
298V39.1Very low36.4Very low133 Ų133144.8 Ų144.881%0.80680%0.798SS**  trans86.790.2160.7-159.90000117.6
299N31.4Very low35.6Very low155 Ų155145.5 Ų145.583%0.82980%0.801SS**  trans-62.6139.8146.4-67.5-36.2000110.2
300L34.7Very low35.3Very low151 Ų151141.3 Ų141.379%0.79179%0.792SS**  trans-173.4100.1137.4-99.9145.4000110.7
301T32.3Very low34.7Very low122 Ų122138.2 Ų138.275%0.74879%0.79SS**  trans33.8131.713561.80000121.8
302S32.8Very low34.1Very low100 Ų100140.6 Ų140.670%0.69979%0.791SS**  119.9105.4124-151.90000116.1
303E34Very low33.5Very low155 Ų155140.9 Ų140.972%0.72479%0.791SS**  trans39.8116.6131.3-52.3-17516200119.6
304M33.3Very low33.4Very low151 Ų151139.2 Ų139.274%0.74478%0.776SS**  162.7122.1103.5-84.9-56.6172.400110.8
305S29.7Very low32.9Very low102 Ų102137 Ų13771%0.71377%0.772SS**  trans34147.913958.80000123
306S32.7Very low32.8Very low103 Ų103136.1 Ų136.172%0.7276%0.757SS**  trans102.492.8152.171.30000118.3
307T30.5Very low33.1Very low123 Ų123134.3 Ų134.376%0.75575%0.749SS**  27.5113.6129.657.60000117.8
308N33.5Very low33.5Very low157 Ų157134 Ų13484%0.8474%0.74SS**  trans-163.4127.8131.7-99.4-33000112.3Q310N308-Q310 PolarHBondContact O-N 2.97Å
309H31.1Very low33.8Very low196 Ų196130.8 Ų130.891%0.90772%0.715SS**  trans-56.7113.9168.5-77.2-75.7000110.8
310Q34.6Very low34.2Very low155 Ų155125.2 Ų125.272%0.72469%0.694SS**  trans-139.1122.1160.3-73.1-169.6-15.200109.8N308 E312N308-Q310 PolarHBondContact O-N 2.97Å; Q310-E312 PolarHBondContact O-N 3.03Å; Q310-E312 VanDerWaalsContact O-N 3.14Å
311S31.1Very low34.7Very low113 Ų113121 Ų12179%0.7967%0.673SS**  trans-51.4107.6172.249.20000111.5I313S311-I313 PolarHBondContact O-N 2.74Å
312E30Very low35Very low169 Ų169121.1 Ų121.179%0.7967%0.667SS**  trans-74.3103.4167.9-83.2-170.8142.500109.9Q310 L314Q310-E312 PolarHBondContact O-N 3.03Å; Q310-E312 VanDerWaalsContact O-N 3.14Å; E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 3.41Å; E312-L314 VanDerWaalsContact O-N 3.12Å
313I33.9Very low35Very low160 Ų160122.8 Ų122.882%0.82167%0.669SS**  trans-77.189.8159.3-58.3173.3000105.9S311S311-I313 PolarHBondContact O-N 2.74Å
314L29.6Very low35Very low116 Ų116124.1 Ų124.161%0.60768%0.675SS**  trans-62140.7169.4-78165.9000109.5E312 T316E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 3.41Å; E312-L314 VanDerWaalsContact O-N 3.12Å; L314-T316 PolarHBondContact O-N 3.07Å
315P29.6Very low34.9Very low122 Ų122128.4 Ų128.479%0.79268%0.683SS**  trans-67.698.5174.128.4-30.3000108.2K317P315-K317 PolarHBondContact O-N 2.93Å
316T35.6Very low35Very low72 Ų72131.5 Ų131.544%0.44269%0.686SS.*  trans-65.6114.2170.644.80000107.8Y32 L314Y32-T316 HydrophobicContact CE1-CG2 4.41Å; L314-T316 PolarHBondContact O-N 3.07Å
317K39.1Very low35.1Very low180 Ų180135.8 Ų135.878%0.78370%0.695SS**  trans-51.8131.6165.1-70.3177.3180176.10107.3P315 F319P315-K317 PolarHBondContact O-N 2.93Å; K317-F319 PolarHBondContact O-N 3.43Å
318P44.7Very low35.2Very low79 Ų79135.4 Ų135.451%0.51369%0.688SS.*  trans-56.6138.4173.725.3-31.9000107.7Y77 G320Y77-P318 HydrophobicContact CD1-CB 4.03Å; Y77-P318 HydrophobicContact CD1-CG 4.5Å; Y77-P318 HydrophobicContact CE1-CB 3.77Å; Y77-P318 HydrophobicContact CE1-CG 3.95Å; P318-G320 VanDerWaalsContact C-N 3.3Å; P318-G320 PolarHBondContact O-N 3.32Å
319F45.4Very low35.3Very low65 Ų65132.2 Ų132.229%0.28568%0.683SS.*  trans-57.799.6172.1-168.1-91.5000107.4L29 Y32 K107 K317L29-F319 HydrophobicContact CD2-CD2 4.42Å; L29-F319 HydrophobicContact CD2-CE2 3.76Å; L29-F319 HydrophobicContact CD2-CZ 4.34Å; Y32-F319 HydrophobicContact CD2-CD2 4.34Å; Y32-F319 HydrophobicContact CE2-CD2 4.22Å; K107-F319 HydrophobicContact CD-CZ 4.43Å; K317-F319 PolarHBondContact O-N 3.43Å
320G40.2Very low35.6Very low38 Ų38130.7 Ų130.739%0.39268%0.681SS.*  trans-71.3126175.200000108P318 I322P318-G320 VanDerWaalsContact C-N 3.3Å; P318-G320 PolarHBondContact O-N 3.32Å; G320-I322 PolarHBondContact O-N 3.46Å
321D44.4Very low35.8Very low64 Ų64129.7 Ų129.734%0.34268%0.68SS.*  trans-52.8115.9175.8-80.1-35.1000109.6R103 N323R103-D321 IonicContact NH1-OD1 2.7Å; D321-N323 PolarHBondContact O-N 2.77Å
322I39.3Very low36Very low123 Ų123133.9 Ų133.963%0.63168%0.684SS**  trans-71.2122171.4-54.9169.9000105.9G320 E324G320-I322 PolarHBondContact O-N 3.46Å; I322-E324 PolarHBondContact O-N 2.88Å
323N33.7Very low36.4Very low136 Ų136131.1 Ų131.173%0.72768%0.684SS**  trans-58.197.3171.9-74.3-46.7000109.6D321 R325D321-N323 PolarHBondContact O-N 2.77Å; N323-R325 PolarHBondContact O-N 2.94Å
324E33.9Very low36.3Very low183 Ų183131.8 Ų131.886%0.85569%0.689SS**  trans-74.7107.2170.4-95.6179.5167.200109.6I322 Q326I322-E324 PolarHBondContact O-N 2.88Å; E324-Q326 PolarHBondContact O-N 3.42Å
325R31Very low36.8Very low240 Ų240133.5 Ų133.591%0.90670%0.697SS**  trans-54.7117.9152.9-114175.4178.2167.8-0.9107.4N323 Q327N323-R325 PolarHBondContact O-N 2.94Å; R325-Q327 PolarHBondContact O-N 3.42Å
326Q30.6Very low37.2Very low168 Ų168132.8 Ų132.879%0.78570%0.695SS**  trans-46.5118.5175.6-63.6177.5-0.300111.4E324E324-Q326 PolarHBondContact O-N 3.42Å
327Q35.4Very low37.4Very low193 Ų193134.4 Ų134.490%0.90271%0.707SS**  trans-112.2103.6150.7-75.3-172.9-12.100107.2R325R325-Q327 PolarHBondContact O-N 3.42Å
328N32.8Very low37.4Very low115 Ų115131 Ų13162%0.61570%0.703SS**  trans-67.2130171.6-70.1-57.5000109.3
329A35.6Very low37Very low89 Ų89135 Ų13574%0.73672%0.719SS**  148.7103.9128.200000111.2
330L37.3Very low36.7Very low165 Ų165138.7 Ų138.786%0.86474%0.74SS**  trans-166.8108.9136.6-109.6133.9000110.3
331D39.3Very low36.6Very low133 Ų133141.8 Ų141.871%0.71175%0.751SS**  trans48104.1148.7-66.5-31.3000123.2
332K34.8Very low36Very low201 Ų201147 Ų14787%0.87478%0.779SS**  34.6103.8126.9-63.9-179.7-179.5178.80118.7
333S38.1Very low35.9Very low111 Ų111148.8 Ų148.878%0.77679%0.785SS**  -147129.2126.950.70000109.1I335S333-I335 PolarHBondContact O-N 3.12Å; S333-I335 VanDerWaalsContact O-N 3.14Å
334D32.6Very low36.1Very low175 Ų175154.4 Ų154.494%0.93680%0.796SS**  trans-66.9104.4-177.8-74.1-43.6000110.9
335I39.5Very low36.5Very low152 Ų152152.2 Ų152.278%0.77978%0.784SS**  trans-133.2105.6158.5-56.3177.9000107.1S333S333-I335 PolarHBondContact O-N 3.12Å; S333-I335 VanDerWaalsContact O-N 3.14Å
336S37.2Very low37.1Very low106 Ų106151.5 Ų151.574%0.74178%0.781SS**PPolyproline II helixtrans-54.1133.7173.9-163.70000110.1
337P41.4Very low37.5Very low106 Ų106147.9 Ų147.969%0.68877%0.773SS**PPolyproline II helixtrans-67.4143176.928.7-32.1000109.5I339P337-I339 PolarHBondContact O-N 3.46Å
338P39.1Very low38.1Very low110 Ų110141.8 Ų141.871%0.71475%0.752SS**PPolyproline II helixtrans-68.5132.6176.127.9-31.7000109.7I340P338-I340 PolarHBondContact O-N 2.83Å
339I36.1Very low38.6Very low163 Ų163142.8 Ų142.884%0.83676%0.756SS**  trans-60.4104166.8-63.9165.3000106.9P337 T341P337-I339 PolarHBondContact O-N 3.46Å; I339-T341 PolarHBondContact O-N 2.91Å
340I38.5Very low38.9Very low141 Ų141147.3 Ų147.372%0.72376%0.76SS**  trans-79.2108.3169.9-61.7174.6000106.4P338P338-I340 PolarHBondContact O-N 2.83Å
341T38Very low39.1Very low103 Ų103150 Ų15063%0.63276%0.758SS**  trans-59.5133.8169.445.30000109.6I339 E343I339-T341 PolarHBondContact O-N 2.91Å; T341-E343 VanDerWaalsContact C-N 3.27Å; T341-E343 PolarHBondContact O-N 2.88Å
342N32.6Very low39Very low174 Ų174149.2 Ų149.293%0.9376%0.763SS**  trans-64.280.6177.3-75-33.1000111.2
343E37.4Very low39.2Very low161 Ų161145 Ų14575%0.75276%0.759SS**  trans-94.9126.1159.9-69.9-162.1159.800109.1T341 K345T341-E343 VanDerWaalsContact C-N 3.27Å; T341-E343 PolarHBondContact O-N 2.88Å; E343-K345 PolarHBondContact O-N 2.8Å
344R36.6Very low39.3Very low253 Ų253151.1 Ų151.196%0.95577%0.765SS**  trans-53.992.5-178.4-77.9173.3164.7168.4-4.7111R346R344-R346 PolarHBondContact O-N 2.88Å
345K42.2Very low39.8Very low138 Ų138150.1 Ų150.160%0.676%0.758SS**  trans-74.3119.5165.9-65.3-166.3177.3-167.30108.7E343 C347E343-K345 PolarHBondContact O-N 2.8Å; K345-C347 PolarHBondContact O-N 3.32Å; K345-C347 VanDerWaalsContact O-N 3.07Å
346R43.1Very low39.9Very low224 Ų224154.3 Ų154.385%0.84576%0.764SS**  trans-69.497.5174.1-82-179.6164-176.2-3.1108.9R344 S348R344-R346 PolarHBondContact O-N 2.88Å; R346-S348 PolarHBondContact O-N 2.99Å
347C40.7Very low40.2Very low92 Ų92156.6 Ų156.662%0.62277%0.768SS**  trans-79.8108.5163.3-68.30000108.3K345K345-C347 PolarHBondContact O-N 3.32Å; K345-C347 VanDerWaalsContact O-N 3.07Å
348S48Very low40.6Very low65 Ų65156.9 Ų156.946%0.45577%0.772SS.*  trans-86.9121.2170.760.60000109.4R346 F350R346-S348 PolarHBondContact O-N 2.99Å; S348-F350 PolarHBondContact O-N 3.17Å
349L42.6Very low41.1Very low136 Ų136161.2 Ų161.271%0.71278%0.78SS**  trans-77.7111.1165.2-76.8165000107.3Y84 R351Y84-L349 HydrophobicContact CE1-CD2 4.27Å; L349-R351 PolarHBondContact O-N 3.11Å
350F42.7Very low42.3Very low184 Ų184159.3 Ų159.381%0.80778%0.778SS**  trans-71.592.5174.4-135.6-90.2000109.1S348 S352S348-F350 PolarHBondContact O-N 3.17Å; F350-S352 PolarHBondContact O-N 3.01Å
351R40.6Very low43Very low222 Ų222161.6 Ų161.684%0.83881%0.807SS**  trans-77.7110.7164.9-84.6-172.5168.8-174.7-2.3108.3L349 S353L349-R351 PolarHBondContact O-N 3.11Å; R351-S353 PolarHBondContact O-N 3.28Å; R351-S353 PolarHBondContact O-OG 2.99Å
352S36.7Very low43.3Very low116 Ų116164.6 Ų164.681%0.81182%0.816SS**  trans-56.1108.3169.955.80000109.7F350F350-S352 PolarHBondContact O-N 3.01Å
353S39.6Very low43.8Very low112 Ų112164.1 Ų164.178%0.78381%0.81SS**PPolyproline II helixtrans-96118.3177.8-55.70000108.3R351R351-S353 PolarHBondContact O-N 3.28Å; R351-S353 PolarHBondContact O-OG 2.99Å
354R40.3Very low44.2Very low241 Ų241164.2 Ų164.291%0.90981%0.813SS**PPolyproline II helixtrans-48.8135.1175.1-72.8173.6-178161.20112.2R356R354-R356 PolarHBondContact O-N 3.33Å
355I42.4Very low44.7Very low154 Ų154159 Ų15979%0.7981%0.805SS**PPolyproline II helixtrans-55.6123.3161.9-64.5165.8000107.7
356R42.8Very low44.8Very low240 Ų240160.3 Ų160.391%0.90682%0.817SS**PPolyproline II helixtrans-93.9118.5163.9-67.4-171.7-154.2-166.86.2107.2R354 S358R354-R356 PolarHBondContact O-N 3.33Å; R356-S358 PolarHBondContact O-N 3.37Å
357D43.8Very low44.9Very low153 Ų153156.1 Ų156.182%0.81882%0.816SS**PPolyproline II helixtrans-64119169.8-62.1-41.5000109.7
358S47.8Very low45.2Very low112 Ų112160.6 Ų160.678%0.78383%0.829SS**  trans-88.6114.2163.452.90000108.8R356R356-S358 PolarHBondContact O-N 3.37Å
359K51.6Low45Very low202 Ų202168 Ų16888%0.87886%0.858SS**  trans-67.6140.1163.1-78.2-176.9174.3-178.30109.7
360P60.3Low45.2Very low122 Ų122170.7 Ų170.779%0.79287%0.87SS**  trans-81.2150.816433.9-28.6000110.2
361S54Low45.4Very low190 Ų190169.5 Ų169.5100%1.32988%0.876SS**  trans-58.90168.353.30000113.5

Retrieved 361 of 361 residues in 459.3 ms (Link to these results)