G4M074_SCHMA Loading...

IST1 homolog

ESCRT-III-like protein involved in cytokinesis, nuclear envelope reassembly and endosomal tubulation. Is required for efficient abscission during cytokinesis. Involved in recruiting VPS4A and/or VPS4B to the midbody of dividing cells. During late anaphase, involved in nuclear envelope reassembly and mitotic spindle disassembly together with the ESCRT-III complex: IST1 acts by mediating the recruitment of SPAST to the nuclear membrane, leading to microtubule severing. Recruited to the reforming nuclear envelope (NE) during anaphase by LEMD2. Regulates early endosomal tubulation together with the ESCRT-III complex by mediating the recruitment of SPAST.

AlphaFold DB , UniProt , Accession G4M074, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 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
1M41.8Very low79.7Confident244 Ų244103.6 Ų103.6100%1.20256%0.557SS**  0123.50-68.9176.4175.200107.5S3M1-S3 PolarHBondContact O-N 3.35Å
2F48.5Very low81Confident213 Ų213103.4 Ų103.493%0.93454%0.542SS*.  trans-77.5105.1172-64.5-78.9000108.2S4F2-S4 PolarHBondContact O-N 2.88Å
3S59Low82.3Confident104 Ų104102.7 Ų102.773%0.72754%0.538SS*.  trans-66.4115.2166.751.60000107.8M1 T5M1-S3 PolarHBondContact O-N 3.35Å; S3-T5 PolarHBondContact O-N 3.38Å; S3-T5 VanDerWaalsContact O-N 3.08Å
4S75.5Confident83.3Confident94 Ų9496.3 Ų96.366%0.65751%0.505SS*.PPolyproline II helixtrans-54.1118174.1-52.60000109.3F2 I126F2-S4 PolarHBondContact O-N 2.88Å; S4-I126 WeakPolarHBondContact O-CG2 3.48Å
5T86.7Confident84.3Confident106 Ų10689.9 Ų89.965%0.6547%0.471SS*.PPolyproline II helixtrans-76.6154170.3450000109.7S3 D7S3-T5 PolarHBondContact O-N 3.38Å; S3-T5 VanDerWaalsContact O-N 3.08Å; T5-D7 PolarHBondContact O-N 2.94Å
6C89Confident85.1Confident15 Ų1592.1 Ų92.110%0.10147%0.471CS..PPolyproline II helixtrans-71120.9173.3-179.70000109.8Y8 I126 K127C6-Y8 HydrophobicContact CB-CE1 4.3Å; C6-Y8 PolarHBondContact O-N 3.07Å; C6-I126 HydrophobicContact CB-CG2 4.12Å; C6-K127 HydrophobicContact CB-CB 4.16Å
7D94.1Very high85.8Confident78 Ų7890.6 Ų90.642%0.41746%0.464SS..  trans-80.182.4178-67.1-35.9000109.6T5 T9 K10 L11T5-D7 PolarHBondContact O-N 2.94Å; D7-T9 PolarHBondContact O-N 3.17Å; D7-T9 VanDerWaalsContact O-N 3.16Å; D7-K10 HydrophobicContact CB-CB 3.62Å; D7-K10 HydrophobicContact CB-CD 4.3Å; D7-K10 WeakPolarHBondContact O-CA 2.96Å; D7-K10 WeakPolarHBondContact O-CB 3.31Å; D7-K10 PolarHBondContact O-N 2.57Å; D7-L11 PolarHBondContact O-N 2.96Å
8Y94.6Very high86.4Confident71 Ų7185.6 Ų85.628%0.27844%0.439SS..Hα-helixtrans-54.1-38-175.3-63.3-68.5000113.8C6 L11 R12 F83 Q87 K127C6-Y8 HydrophobicContact CB-CE1 4.3Å; C6-Y8 PolarHBondContact O-N 3.07Å; Y8-L11 PolarHBondContact O-N 3.49Å; Y8-R12 WeakPolarHBondContact O-CB 3.39Å; Y8-R12 PolarHBondContact O-N 2.78Å; Y8-F83 HydrophobicContact CD1-CE1 4.48Å; Y8-F83 WeakPolarHBondContact O-CZ 3.17Å; Y8-Q87 HydrophobicContact CD1-CG 3.87Å; Y8-Q87 HydrophobicContact CE1-CB 4.33Å; Y8-Q87 HydrophobicContact CE1-CG 4.11Å; Y8-Q87 HydrophobicContact CG-CG 4.23Å; Y8-K127 HydrophobicContact CE1-CD 4.18Å; Y8-K127 PolarHBondContact OH-NZ 3.47Å; Y8-K127 VanDerWaalsContact OH-NZ 3.09Å
9T95.6Very high87Confident123 Ų12382 Ų8276%0.75542%0.42SS*.Hα-helixtrans-62-44174.8-50.40000111.8D7 L13D7-T9 PolarHBondContact O-N 3.17Å; D7-T9 VanDerWaalsContact O-N 3.16Å; T9-L13 VanDerWaalsContact O-CB 3.28Å; T9-L13 WeakPolarHBondContact O-CB 3.16Å; T9-L13 PolarHBondContact O-N 2.91Å
10K95.3Very high87.5Confident92 Ų9284 Ų8440%0.443%0.428SS..Hα-helixtrans-67.3-44.6177.9-175.5176.2177.7177.50110.9D7 L13 N14 I119D7-K10 HydrophobicContact CB-CB 3.62Å; D7-K10 HydrophobicContact CB-CD 4.3Å; D7-K10 WeakPolarHBondContact O-CA 2.96Å; D7-K10 WeakPolarHBondContact O-CB 3.31Å; D7-K10 PolarHBondContact O-N 2.57Å; K10-L13 PolarHBondContact O-N 2.95Å; K10-N14 WeakPolarHBondContact O-CB 3.17Å; K10-N14 PolarHBondContact O-N 3.13Å; K10-N14 PolarHBondContact O-ND2 2.65Å; K10-I119 HydrophobicContact CG-CG2 4.41Å
11L96.3Very high88Confident0 Ų084.6 Ų84.60%042%0.424CS..Hα-helixtrans-57.9-51.3176173.558.4000111.1D7 Y8 L13 N14 I15 F83 I86 V120 Q123 L124D7-L11 PolarHBondContact O-N 2.96Å; Y8-L11 PolarHBondContact O-N 3.49Å; L11-L13 PolarHBondContact O-N 3.26Å; L11-N14 PolarHBondContact O-N 2.94Å; L11-I15 HydrophobicContact CD1-CD1 3.76Å; L11-I15 HydrophobicContact CD1-CG1 4.21Å; L11-I15 HydrophobicContact CG-CD1 3.99Å; L11-I15 WeakPolarHBondContact O-CG1 3.39Å; L11-I15 PolarHBondContact O-N 3.09Å; L11-F83 HydrophobicContact CB-CZ 4.31Å; L11-F83 HydrophobicContact CD2-CE2 4.01Å; L11-F83 HydrophobicContact CD2-CZ 4.01Å; L11-F83 HydrophobicContact CG-CE2 3.9Å; L11-F83 HydrophobicContact CG-CZ 4.03Å; L11-I86 HydrophobicContact CD2-CG2 4.35Å; L11-V120 HydrophobicContact CD1-CB 4.43Å; L11-V120 HydrophobicContact CD1-CG1 3.92Å; L11-Q123 HydrophobicContact CB-CB 3.99Å; L11-Q123 HydrophobicContact CB-CG 4.24Å; L11-Q123 HydrophobicContact CD1-CB 3.95Å; L11-Q123 HydrophobicContact CD2-CB 4.43Å; L11-Q123 HydrophobicContact CG-CB 4.31Å; L11-L124 HydrophobicContact CD1-CG 4.38Å; L11-L124 HydrophobicContact CD2-CD2 4.49Å
12R95.8Very high90.6Very high101 Ų10173 Ų7338%0.38137%0.367SS..Hα-helixtrans-64.2-38.6-179.6-161.2176.7-171.1-174.26.4112.9Y8 R16 F83Y8-R12 WeakPolarHBondContact O-CB 3.39Å; Y8-R12 PolarHBondContact O-N 2.78Å; R12-R16 WeakPolarHBondContact O-CG 3.2Å; R12-R16 PolarHBondContact O-N 3.06Å; R12-F83 HydrophobicContact CB-CD1 4.48Å; R12-F83 HydrophobicContact CB-CD2 4.33Å; R12-F83 HydrophobicContact CB-CE1 3.99Å; R12-F83 HydrophobicContact CB-CE2 3.83Å; R12-F83 HydrophobicContact CB-CZ 3.65Å; R12-F83 HydrophobicContact CG-CD1 4.35Å; R12-F83 HydrophobicContact CG-CD2 4.11Å; R12-F83 HydrophobicContact CG-CE1 4.35Å; R12-F83 HydrophobicContact CG-CE2 4.13Å; R12-F83 HydrophobicContact CG-CG 4.23Å; R12-F83 HydrophobicContact CG-CZ 4.26Å
13L97.2Very high93Very high94 Ų9467.5 Ų67.549%0.49235%0.345SS..Hα-helixtrans-63.2-47.9175.4-174.6157.7000110.9T9 K10 L11 I15 R16 L17T9-L13 VanDerWaalsContact O-CB 3.28Å; T9-L13 WeakPolarHBondContact O-CB 3.16Å; T9-L13 PolarHBondContact O-N 2.91Å; K10-L13 PolarHBondContact O-N 2.95Å; L11-L13 PolarHBondContact O-N 3.26Å; L13-I15 PolarHBondContact O-N 2.94Å; L13-R16 PolarHBondContact O-N 3.05Å; L13-L17 HydrophobicContact CD2-CD1 3.56Å; L13-L17 HydrophobicContact CD2-CG 4.05Å; L13-L17 PolarHBondContact O-N 2.87Å
14N97.3Very high94.8Very high13 Ų1369 Ų697%0.0734%0.336CS..Hα-helixtrans-66.6-35.1-179.3-78.9-92.9000112.4K10 L11 R16 L17 C18 I119 V120K10-N14 WeakPolarHBondContact O-CB 3.17Å; K10-N14 PolarHBondContact O-N 3.13Å; K10-N14 PolarHBondContact O-ND2 2.65Å; L11-N14 PolarHBondContact O-N 2.94Å; N14-R16 VanDerWaalsContact C-N 3.33Å; N14-R16 PolarHBondContact O-N 2.84Å; N14-L17 PolarHBondContact O-N 2.73Å; N14-C18 PolarHBondContact O-N 2.9Å; N14-C18 PolarHBondContact O-SG 3.09Å; N14-I119 HydrophobicContact CB-CG2 4.38Å; N14-I119 WeakPolarHBondContact OD1-CD1 3.07Å; N14-V120 HydrophobicContact CB-CG2 3.75Å
15I97.3Very high95.8Very high1 Ų164.8 Ų64.81%0.00531%0.306CS..Hα-helixtrans-60-43.2172.5-69.5161.9000111.2L11 L13 C18 I19 L76 I79 N80 F83 V120L11-I15 HydrophobicContact CD1-CD1 3.76Å; L11-I15 HydrophobicContact CD1-CG1 4.21Å; L11-I15 HydrophobicContact CG-CD1 3.99Å; L11-I15 WeakPolarHBondContact O-CG1 3.39Å; L11-I15 PolarHBondContact O-N 3.09Å; L13-I15 PolarHBondContact O-N 2.94Å; I15-C18 WeakPolarHBondContact O-CB 3.47Å; I15-C18 PolarHBondContact O-N 3.15Å; I15-I19 HydrophobicContact CG2-CD1 4.11Å; I15-I19 WeakPolarHBondContact O-CG1 3.49Å; I15-I19 PolarHBondContact O-N 3.48Å; I15-I19 VanDerWaalsContact O-N 3.08Å; I15-L76 HydrophobicContact CG1-CD2 4.28Å; I15-L76 HydrophobicContact CG2-CB 4.2Å; I15-L76 HydrophobicContact CG2-CD2 4.04Å; I15-L76 WeakPolarHBondContact CG2-O 3.36Å; I15-I79 HydrophobicContact CD1-CG2 3.65Å; I15-N80 HydrophobicContact CG2-CB 3.88Å; I15-F83 HydrophobicContact CD1-CD2 4.33Å; I15-F83 HydrophobicContact CD1-CE2 3.94Å; I15-V120 HydrophobicContact CG1-CG1 4.03Å; I15-V120 HydrophobicContact CG1-CG2 3.96Å
16R97.4Very high96.3Very high124 Ų12461 Ų6147%0.46828%0.281SS..Hα-helixtrans-64.9-40177-69.4172.1176.5-165.6-6.7112.4R12 L13 N14 I19 Q20R12-R16 WeakPolarHBondContact O-CG 3.2Å; R12-R16 PolarHBondContact O-N 3.06Å; L13-R16 PolarHBondContact O-N 3.05Å; N14-R16 VanDerWaalsContact C-N 3.33Å; N14-R16 PolarHBondContact O-N 2.84Å; R16-I19 PolarHBondContact O-N 3.06Å; R16-Q20 WeakPolarHBondContact O-CG 3.45Å; R16-Q20 PolarHBondContact O-N 3.08Å
17L97.2Very high96.7Very high68 Ų6868.2 Ų68.236%0.35631%0.31SS..Hα-helixtrans-63-41.3172.6-67.1178.2000111.8L13 N14 I19 Q20 R21 E116L13-L17 HydrophobicContact CD2-CD1 3.56Å; L13-L17 HydrophobicContact CD2-CG 4.05Å; L13-L17 PolarHBondContact O-N 2.87Å; N14-L17 PolarHBondContact O-N 2.73Å; L17-I19 VanDerWaalsContact C-N 3.34Å; L17-I19 PolarHBondContact O-N 3.14Å; L17-Q20 PolarHBondContact O-N 3.38Å; L17-R21 WeakPolarHBondContact O-CB 3.27Å; L17-R21 PolarHBondContact O-N 3.15Å; L17-E116 HydrophobicContact CB-CG 4.07Å; L17-E116 HydrophobicContact CD1-CG 4.4Å
18C97.6Very high96.8Very high0 Ų069.9 Ų69.90%031%0.314CS..Hα-helixtrans-59.2-43.7176.4-66.50000111.9N14 I15 R21 L22 L76 I114N14-C18 PolarHBondContact O-N 2.9Å; N14-C18 PolarHBondContact O-SG 3.09Å; I15-C18 WeakPolarHBondContact O-CB 3.47Å; I15-C18 PolarHBondContact O-N 3.15Å; C18-R21 PolarHBondContact O-N 3.36Å; C18-L22 WeakPolarHBondContact O-CB 3.37Å; C18-L22 WeakPolarHBondContact O-CD1 3.48Å; C18-L22 VanDerWaalsContact O-CG 3.32Å; C18-L22 WeakPolarHBondContact O-CG 3.31Å; C18-L22 PolarHBondContact O-N 3.5Å; C18-L76 HydrophobicContact CB-CD1 3.68Å; C18-L76 HydrophobicContact CB-CD2 4.43Å; C18-I114 HydrophobicContact CB-CG2 4.12Å
19I97.6Very high96.9Very high17 Ų1767.9 Ų67.99%0.08731%0.306CS..Hα-helixtrans-61-53.7178.1-65.7161.7000110.3I15 R16 L17 R21 L22 E23 Q73 L76 E77 N80I15-I19 HydrophobicContact CG2-CD1 4.11Å; I15-I19 WeakPolarHBondContact O-CG1 3.49Å; I15-I19 PolarHBondContact O-N 3.48Å; I15-I19 VanDerWaalsContact O-N 3.08Å; R16-I19 PolarHBondContact O-N 3.06Å; L17-I19 VanDerWaalsContact C-N 3.34Å; L17-I19 PolarHBondContact O-N 3.14Å; I19-R21 VanDerWaalsContact C-N 3.25Å; I19-R21 PolarHBondContact O-N 2.88Å; I19-L22 WeakPolarHBondContact O-CB 3.31Å; I19-L22 PolarHBondContact O-N 2.95Å; I19-L22 VanDerWaalsContact O-N 3.13Å; I19-E23 WeakPolarHBondContact O-CG 3.05Å; I19-E23 PolarHBondContact O-N 3.21Å; I19-E23 VanDerWaalsContact O-N 3.09Å; I19-Q73 HydrophobicContact CG2-CG 4.15Å; I19-L76 HydrophobicContact CD1-CB 4.18Å; I19-L76 HydrophobicContact CG1-CB 3.77Å; I19-E77 HydrophobicContact CD1-CG 3.87Å; I19-E77 HydrophobicContact CG1-CG 4.22Å; I19-E77 HydrophobicContact CG2-CG 4.31Å; I19-N80 HydrophobicContact CD1-CB 4.47Å
20Q97.3Very high96.9Very high122 Ų12264.3 Ų64.357%0.5729%0.286SS*.Hα-helixtrans-59.9-35.3178.1-68.5178.3-29.800112.9R16 L17 Y24R16-Q20 WeakPolarHBondContact O-CG 3.45Å; R16-Q20 PolarHBondContact O-N 3.08Å; L17-Q20 PolarHBondContact O-N 3.38Å; Q20-Y24 PolarHBondContact O-N 3.08Å
21R97.1Very high97Very high96 Ų9664.5 Ų64.536%0.36229%0.289SS..Hα-helixtrans-69.4-41.9176.9-176.762177.6-160.8-3.1111.7L17 C18 I19 Y24 V25 E113 I114L17-R21 WeakPolarHBondContact O-CB 3.27Å; L17-R21 PolarHBondContact O-N 3.15Å; C18-R21 PolarHBondContact O-N 3.36Å; I19-R21 VanDerWaalsContact C-N 3.25Å; I19-R21 PolarHBondContact O-N 2.88Å; R21-Y24 PolarHBondContact O-N 2.89Å; R21-V25 HydrophobicContact CG-CG2 4.4Å; R21-V25 WeakPolarHBondContact O-CB 3.39Å; R21-V25 VanDerWaalsContact O-CG2 3.29Å; R21-V25 WeakPolarHBondContact O-CG2 3.46Å; R21-V25 PolarHBondContact O-N 2.97Å; R21-E113 PolarHBondContact NE-O 3.14Å; R21-E113 PolarHBondContact NH2-O 3.39Å; R21-I114 HydrophobicContact CB-CG1 4.38Å; R21-I114 HydrophobicContact CB-CG2 4.39Å; R21-I114 HydrophobicContact CG-CB 4.25Å; R21-I114 HydrophobicContact CG-CG1 3.74Å; R21-I114 HydrophobicContact CG-CG2 4.14Å
22L97.3Very high97Very high1 Ų168.5 Ų68.51%0.00531%0.309CS..Hα-helixtrans-60-52176.9-84.1158.2000111.3C18 I19 Y24 V25 Q26 M69 I72 Q73 L76 I114C18-L22 WeakPolarHBondContact O-CB 3.37Å; C18-L22 WeakPolarHBondContact O-CD1 3.48Å; C18-L22 VanDerWaalsContact O-CG 3.32Å; C18-L22 WeakPolarHBondContact O-CG 3.31Å; C18-L22 PolarHBondContact O-N 3.5Å; I19-L22 WeakPolarHBondContact O-CB 3.31Å; I19-L22 PolarHBondContact O-N 2.95Å; I19-L22 VanDerWaalsContact O-N 3.13Å; L22-Y24 VanDerWaalsContact C-N 3.28Å; L22-Y24 PolarHBondContact O-N 3.25Å; L22-V25 PolarHBondContact O-N 2.91Å; L22-V25 VanDerWaalsContact O-N 3.13Å; L22-Q26 WeakPolarHBondContact O-CB 3.31Å; L22-Q26 WeakPolarHBondContact O-CG 3.14Å; L22-Q26 PolarHBondContact O-N 3.46Å; L22-M69 HydrophobicContact CD2-CB 3.58Å; L22-M69 HydrophobicContact CD2-CG 3.58Å; L22-M69 HydrophobicContact CD2-SD 3.89Å; L22-I72 HydrophobicContact CD1-CG2 4.27Å; L22-Q73 HydrophobicContact CB-CB 4.26Å; L22-Q73 HydrophobicContact CB-CG 4.39Å; L22-Q73 HydrophobicContact CD1-CB 3.95Å; L22-Q73 HydrophobicContact CD1-CG 4.47Å; L22-L76 HydrophobicContact CD1-CD1 3.43Å; L22-L76 VanDerWaalsContact CD1-CD1 3.43Å; L22-I114 HydrophobicContact CD2-CD1 3.42Å; L22-I114 VanDerWaalsContact CD2-CD1 3.42Å; L22-I114 HydrophobicContact CD2-CG1 4.31Å; L22-I114 HydrophobicContact CG-CD1 3.75Å; L22-I114 HydrophobicContact CG-CG1 4.12Å
23E97Very high97.1Very high98 Ų9863.7 Ų63.746%0.45829%0.291SS..Hα-helixtrans-51.5-46.7176.4-67.7172.3170.900111.9I19 K27I19-E23 WeakPolarHBondContact O-CG 3.05Å; I19-E23 PolarHBondContact O-N 3.21Å; I19-E23 VanDerWaalsContact O-N 3.09Å; E23-K27 WeakPolarHBondContact O-CB 3.36Å; E23-K27 PolarHBondContact O-N 3.48Å; E23-K27 VanDerWaalsContact O-N 3.15Å
24Y97.2Very high97Very high136 Ų13663.7 Ų63.753%0.53329%0.287SS..Hα-helixtrans-66-45.8178.4175.7-96.1000112.7Q20 R21 L22 K28Q20-Y24 PolarHBondContact O-N 3.08Å; R21-Y24 PolarHBondContact O-N 2.89Å; L22-Y24 VanDerWaalsContact C-N 3.28Å; L22-Y24 PolarHBondContact O-N 3.25Å; Y24-K28 HydrophobicContact CE1-CD 4.11Å; Y24-K28 VanDerWaalsContact O-CB 3.3Å; Y24-K28 WeakPolarHBondContact O-CB 3.47Å; Y24-K28 PolarHBondContact O-N 3.43Å
25V96.9Very high97Very high5 Ų563.8 Ų63.83%0.0329%0.291CS..Hα-helixtrans-66.2-45.2-178.5169.40000111.3R21 L22 K28 K29 M69 E113R21-V25 HydrophobicContact CG-CG2 4.4Å; R21-V25 WeakPolarHBondContact O-CB 3.39Å; R21-V25 VanDerWaalsContact O-CG2 3.29Å; R21-V25 WeakPolarHBondContact O-CG2 3.46Å; R21-V25 PolarHBondContact O-N 2.97Å; L22-V25 PolarHBondContact O-N 2.91Å; L22-V25 VanDerWaalsContact O-N 3.13Å; V25-K28 PolarHBondContact O-N 3.42Å; V25-K29 HydrophobicContact CG1-CD 4.46Å; V25-K29 PolarHBondContact O-N 3.33Å; V25-M69 HydrophobicContact CB-SD 4.49Å; V25-M69 HydrophobicContact CG1-CE 3.85Å; V25-M69 HydrophobicContact CG1-SD 3.75Å; V25-E113 HydrophobicContact CG1-CB 4.2Å; V25-E113 HydrophobicContact CG1-CG 4.43Å; V25-E113 WeakPolarHBondContact CG1-OE2 3.5Å
26Q97.3Very high97Very high26 Ų2664.7 Ų64.712%0.12130%0.296CS..Hα-helixtrans-57-51.5176-68.6159.86.700110.8L22 K28 K29 S30 V66 M69L22-Q26 WeakPolarHBondContact O-CB 3.31Å; L22-Q26 WeakPolarHBondContact O-CG 3.14Å; L22-Q26 PolarHBondContact O-N 3.46Å; Q26-K28 VanDerWaalsContact C-N 3.32Å; Q26-K28 PolarHBondContact O-N 2.96Å; Q26-K29 PolarHBondContact O-N 3.46Å; Q26-S30 WeakPolarHBondContact O-CB 3.26Å; Q26-S30 PolarHBondContact O-N 3.29Å; Q26-V66 HydrophobicContact CB-CG1 4.17Å; Q26-V66 HydrophobicContact CG-CG1 4.3Å; Q26-M69 HydrophobicContact CG-CB 4.02Å; Q26-M69 PolarHBondContact NE2-O 3.3Å
27K97.2Very high97Very high167 Ų16761.3 Ų61.373%0.72628%0.283SS*.Hα-helixtrans-59.1-42.8178.1-174.6174.8-178.2176.10111.8E23 E31E23-K27 WeakPolarHBondContact O-CB 3.36Å; E23-K27 PolarHBondContact O-N 3.48Å; E23-K27 VanDerWaalsContact O-N 3.15Å; K27-E31 PolarHBondContact O-N 3.21Å; K27-E31 VanDerWaalsContact O-N 3.1Å
28K97.3Very high97Very high112 Ų11264.2 Ų64.249%0.48729%0.289SS..Hα-helixtrans-63.4-47.9177.2-178.4-179.2175.3-175.40112.2Y24 V25 Q26 E31 I32Y24-K28 HydrophobicContact CE1-CD 4.11Å; Y24-K28 VanDerWaalsContact O-CB 3.3Å; Y24-K28 WeakPolarHBondContact O-CB 3.47Å; Y24-K28 PolarHBondContact O-N 3.43Å; V25-K28 PolarHBondContact O-N 3.42Å; Q26-K28 VanDerWaalsContact C-N 3.32Å; Q26-K28 PolarHBondContact O-N 2.96Å; K28-E31 PolarHBondContact O-N 3.21Å; K28-I32 HydrophobicContact CG-CD1 3.97Å; K28-I32 WeakPolarHBondContact O-CG1 3.3Å; K28-I32 PolarHBondContact O-N 3.13Å
29K96.3Very high97Very high29 Ų2968.8 Ų68.813%0.12631%0.311CS..Hα-helixtrans-64.3-42177.8-79.7-171.4-179.2-74.40112.3V25 Q26 E31 I32 S33 D62 V66 M69 E113V25-K29 HydrophobicContact CG1-CD 4.46Å; V25-K29 PolarHBondContact O-N 3.33Å; Q26-K29 PolarHBondContact O-N 3.46Å; K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 3.48Å; K29-I32 PolarHBondContact O-N 3.16Å; K29-S33 WeakPolarHBondContact O-CB 3.44Å; K29-S33 PolarHBondContact O-N 3.26Å; K29-S33 PolarHBondContact O-OG 2.94Å; K29-D62 IonicContact NZ-OD1 3.9Å; K29-D62 PolarHBondContact NZ-OD1 2.99Å; K29-V66 HydrophobicContact CB-CG2 3.52Å; K29-V66 HydrophobicContact CD-CG2 3.88Å; K29-V66 HydrophobicContact CG-CG2 4.36Å; K29-M69 HydrophobicContact CD-CE 3.79Å; K29-E113 WeakPolarHBondContact CE-OE1 3.29Å; K29-E113 IonicContact NZ-OE1 2.81Å; K29-E113 PolarHBondContact NZ-OE1 3.46Å
30S95.9Very high97Very high48 Ų4868 Ų6834%0.33631%0.307SS..Hα-helixtrans-58.1-44.4175.9-176.40000111.6Q26 S33 K34Q26-S30 WeakPolarHBondContact O-CB 3.26Å; Q26-S30 PolarHBondContact O-N 3.29Å; S30-S33 PolarHBondContact O-N 3.3Å; S30-K34 WeakPolarHBondContact O-CG 3.08Å; S30-K34 PolarHBondContact O-N 3.39Å; S30-K34 VanDerWaalsContact O-N 3.14Å
31E97Very high97Very high96 Ų9662.2 Ų62.245%0.44928%0.28SS..Hα-helixtrans-68.9-41.6178.7-165.355.5-136.700112.8K27 K28 K29 S33 K34 G35K27-E31 PolarHBondContact O-N 3.21Å; K27-E31 VanDerWaalsContact O-N 3.1Å; K28-E31 PolarHBondContact O-N 3.21Å; K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 3.48Å; E31-S33 VanDerWaalsContact C-N 3.29Å; E31-S33 PolarHBondContact O-N 2.88Å; E31-K34 WeakPolarHBondContact O-CB 3.38Å; E31-K34 PolarHBondContact O-N 3.45Å; E31-K34 WeakPolarHBondContact OE2-CE 3.47Å; E31-K34 IonicContact OE2-NZ 2.66Å; E31-K34 PolarHBondContact OE2-NZ 3.08Å; E31-G35 PolarHBondContact O-N 2.88Å
32I96.9Very high97Very high84 Ų8461.5 Ų61.543%0.43128%0.284SS..Hα-helixtrans-58.3-43.9172.8-69.3167.4000110.3K28 K29 K34 G35 I36K28-I32 HydrophobicContact CG-CD1 3.97Å; K28-I32 WeakPolarHBondContact O-CG1 3.3Å; K28-I32 PolarHBondContact O-N 3.13Å; K29-I32 PolarHBondContact O-N 3.16Å; I32-K34 VanDerWaalsContact C-N 3.33Å; I32-K34 PolarHBondContact O-N 3.3Å; I32-G35 WeakPolarHBondContact O-CA 3.45Å; I32-G35 PolarHBondContact O-N 2.77Å; I32-I36 HydrophobicContact CG2-CD1 3.9Å; I32-I36 HydrophobicContact CG2-CG1 4.34Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.01Å
33S96.2Very high97Very high1 Ų162 Ų621%0.00729%0.286CS..Hα-helixtrans-60.6-38.5178.5-58.60000112.2K29 S30 E31 G35 I36 R37K29-S33 WeakPolarHBondContact O-CB 3.44Å; K29-S33 PolarHBondContact O-N 3.26Å; K29-S33 PolarHBondContact O-OG 2.94Å; S30-S33 PolarHBondContact O-N 3.3Å; E31-S33 VanDerWaalsContact C-N 3.29Å; E31-S33 PolarHBondContact O-N 2.88Å; S33-G35 VanDerWaalsContact C-N 3.28Å; S33-G35 PolarHBondContact O-N 3.36Å; S33-I36 PolarHBondContact O-N 3.37Å; S33-R37 WeakPolarHBondContact O-CG 3.35Å; S33-R37 PolarHBondContact O-N 3.05Å
34K96.2Very high96.9Very high93 Ų9357.9 Ų57.940%0.40427%0.267SS..Hα-helixtrans-64.4-29.3171.4-62.1173.8-157.2162.80113.3S30 E31 I32 R38S30-K34 WeakPolarHBondContact O-CG 3.08Å; S30-K34 PolarHBondContact O-N 3.39Å; S30-K34 VanDerWaalsContact O-N 3.14Å; E31-K34 WeakPolarHBondContact O-CB 3.38Å; E31-K34 PolarHBondContact O-N 3.45Å; E31-K34 WeakPolarHBondContact OE2-CE 3.47Å; E31-K34 IonicContact OE2-NZ 2.66Å; E31-K34 PolarHBondContact OE2-NZ 3.08Å; I32-K34 VanDerWaalsContact C-N 3.33Å; I32-K34 PolarHBondContact O-N 3.3Å; K34-R38 PolarHBondContact O-NE 2.99Å
35G97.1Very high96.9Very high15 Ų1557.3 Ų57.316%0.15527%0.267CS..Hα-helixtrans-64.2-54.3169.400000111.2E31 I32 S33 R37 R38 E39E31-G35 PolarHBondContact O-N 2.88Å; I32-G35 WeakPolarHBondContact O-CA 3.45Å; I32-G35 PolarHBondContact O-N 2.77Å; S33-G35 VanDerWaalsContact C-N 3.28Å; S33-G35 PolarHBondContact O-N 3.36Å; G35-R37 VanDerWaalsContact C-N 3.32Å; G35-R37 PolarHBondContact O-N 3.04Å; G35-R38 WeakPolarHBondContact O-CB 3.4Å; G35-R38 PolarHBondContact O-N 3.01Å; G35-R38 VanDerWaalsContact O-N 3.1Å; G35-E39 PolarHBondContact O-N 3.44Å
36I96.9Very high96.8Very high21 Ų2161.8 Ų61.811%0.10829%0.291CS..Hα-helixtrans-65.3-34.4-177.1-52.5170.6000111.3I32 S33 R38 E39 I40 K55 I59I32-I36 HydrophobicContact CG2-CD1 3.9Å; I32-I36 HydrophobicContact CG2-CG1 4.34Å; I32-I36 WeakPolarHBondContact O-CG1 3.44Å; I32-I36 PolarHBondContact O-N 3.01Å; S33-I36 PolarHBondContact O-N 3.37Å; I36-R38 VanDerWaalsContact C-N 3.33Å; I36-R38 PolarHBondContact O-N 3.35Å; I36-E39 PolarHBondContact O-N 3.43Å; I36-I40 HydrophobicContact CG2-CD1 4.08Å; I36-I40 HydrophobicContact CG2-CG1 4.45Å; I36-I40 WeakPolarHBondContact O-CD1 3.37Å; I36-I40 VanDerWaalsContact O-CG1 3.3Å; I36-I40 WeakPolarHBondContact O-CG1 3.25Å; I36-I40 PolarHBondContact O-N 3.16Å; I36-K55 HydrophobicContact CG2-CB 4.25Å; I36-K55 HydrophobicContact CG2-CD 4.02Å; I36-K55 HydrophobicContact CG2-CG 4.45Å; I36-I59 HydrophobicContact CB-CD1 3.66Å; I36-I59 HydrophobicContact CB-CG1 4.01Å; I36-I59 HydrophobicContact CG2-CD1 3.67Å; I36-I59 HydrophobicContact CG2-CG1 3.84Å
37R97.7Very high96.6Very high53 Ų5363.1 Ų63.120%0.231%0.312CS..Hα-helixtrans-59.1-38.7173-71.1-176.8-16798.73.1112.7S33 G35 I40 A41 I59 D63 I168 Y172S33-R37 WeakPolarHBondContact O-CG 3.35Å; S33-R37 PolarHBondContact O-N 3.05Å; G35-R37 VanDerWaalsContact C-N 3.32Å; G35-R37 PolarHBondContact O-N 3.04Å; R37-I40 PolarHBondContact O-N 3.45Å; R37-A41 PolarHBondContact O-N 2.85Å; R37-A41 VanDerWaalsContact O-N 3.1Å; R37-I59 HydrophobicContact CB-CD1 4.41Å; R37-I59 HydrophobicContact CG-CD1 3.57Å; R37-D63 IonicContact CZ-OD1 3.27Å; R37-D63 IonicContact CZ-OD2 3.9Å; R37-D63 IonicContact NH2-OD1 3.29Å; R37-D63 PolarHBondContact NH2-OD1 3.45Å; R37-D63 IonicContact NH2-OD2 2.83Å; R37-D63 PolarHBondContact NH2-OD2 3.29Å; R37-I168 HydrophobicContact CG-CD1 4.02Å; R37-I168 HydrophobicContact CG-CG1 4.21Å; R37-Y172 HydrophobicContact CB-CE2 4.2Å
38R96.9Very high96.5Very high128 Ų12859.8 Ų59.848%0.48330%0.297SS..Hα-helixtrans-64.2-47.5172.4-72174.6-83.1155.4-11.8111.4K34 G35 I36 I40 A41 D42 Y172K34-R38 PolarHBondContact O-NE 2.99Å; G35-R38 WeakPolarHBondContact O-CB 3.4Å; G35-R38 PolarHBondContact O-N 3.01Å; G35-R38 VanDerWaalsContact O-N 3.1Å; I36-R38 VanDerWaalsContact C-N 3.33Å; I36-R38 PolarHBondContact O-N 3.35Å; R38-I40 PolarHBondContact O-N 2.93Å; R38-A41 WeakPolarHBondContact O-CB 3.29Å; R38-A41 PolarHBondContact O-N 3.15Å; R38-A41 VanDerWaalsContact O-N 3.09Å; R38-D42 PolarHBondContact O-N 2.96Å; R38-Y172 HydrophobicContact CG-CE1 3.62Å; R38-Y172 WeakPolarHBondContact CG-OH 3.48Å
39E97.2Very high96.4Very high97 Ų9756 Ų5645%0.45328%0.284SS..Hα-helixtrans-62.4-29.1177.7-61.9175-151.600113G35 I36 L43 K55G35-E39 PolarHBondContact O-N 3.44Å; I36-E39 PolarHBondContact O-N 3.43Å; E39-L43 VanDerWaalsContact O-CG 3.27Å; E39-L43 WeakPolarHBondContact O-CG 3.45Å; E39-L43 PolarHBondContact O-N 2.83Å; E39-L43 VanDerWaalsContact O-N 3.09Å; E39-K55 IonicContact OE2-NZ 2.7Å; E39-K55 PolarHBondContact OE2-NZ 3.13Å
40I97.7Very high96.3Very high0 Ų059.8 Ų59.80%031%0.305CS..Hα-helixtrans-69.7-44.9172.7-72.1158.7000110.5I36 R37 R38 D42 L43 L44 A52 K55 V56 I59 L165 I168I36-I40 HydrophobicContact CG2-CD1 4.08Å; I36-I40 HydrophobicContact CG2-CG1 4.45Å; I36-I40 WeakPolarHBondContact O-CD1 3.37Å; I36-I40 VanDerWaalsContact O-CG1 3.3Å; I36-I40 WeakPolarHBondContact O-CG1 3.25Å; I36-I40 PolarHBondContact O-N 3.16Å; R37-I40 PolarHBondContact O-N 3.45Å; R38-I40 PolarHBondContact O-N 2.93Å; I40-D42 VanDerWaalsContact C-N 3.27Å; I40-D42 PolarHBondContact O-N 2.82Å; I40-L43 WeakPolarHBondContact O-CB 3.3Å; I40-L43 PolarHBondContact O-N 3.49Å; I40-L43 VanDerWaalsContact O-N 3.15Å; I40-L44 HydrophobicContact CG2-CD1 4.33Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 2.96Å; I40-A52 HydrophobicContact CG2-CB 4.17Å; I40-K55 HydrophobicContact CD1-CB 3.85Å; I40-K55 HydrophobicContact CG1-CB 3.61Å; I40-K55 HydrophobicContact CG1-CD 4.13Å; I40-V56 HydrophobicContact CD1-CG2 3.73Å; I40-V56 HydrophobicContact CG1-CG2 4.41Å; I40-V56 HydrophobicContact CG2-CG2 4.01Å; I40-I59 HydrophobicContact CD1-CD1 3.38Å; I40-I59 HydrophobicContact CD1-CG1 4.21Å; I40-L165 HydrophobicContact CG2-CD2 4.02Å; I40-I168 HydrophobicContact CB-CG2 4.3Å; I40-I168 HydrophobicContact CD1-CD1 4.07Å; I40-I168 HydrophobicContact CG2-CD1 4.03Å; I40-I168 HydrophobicContact CG2-CG2 3.86Å
41A97.3Very high96.3Very high1 Ų164.7 Ų64.71%0.00832%0.317CS..Hα-helixtrans-59.2-39.1175.700000112R37 R38 L44 K45 I168 Y172 V174R37-A41 PolarHBondContact O-N 2.85Å; R37-A41 VanDerWaalsContact O-N 3.1Å; R38-A41 WeakPolarHBondContact O-CB 3.29Å; R38-A41 PolarHBondContact O-N 3.15Å; R38-A41 VanDerWaalsContact O-N 3.09Å; A41-L44 PolarHBondContact O-N 3.18Å; A41-K45 WeakPolarHBondContact O-CG 3.08Å; A41-K45 PolarHBondContact O-N 2.9Å; A41-I168 HydrophobicContact CB-CG2 4.29Å; A41-Y172 HydrophobicContact CB-CD1 4.4Å; A41-Y172 HydrophobicContact CB-CD2 3.55Å; A41-Y172 HydrophobicContact CB-CE2 4.38Å; A41-Y172 HydrophobicContact CB-CG 3.57Å; A41-V174 HydrophobicContact CB-CG2 4.15Å
42D97.2Very high96.3Very high81 Ų8160.1 Ų60.143%0.43330%0.295SS..Hα-helixtrans-69.3-36.6175.4-63.2-29.9000112.4R38 I40 L44 K45 D46R38-D42 PolarHBondContact O-N 2.96Å; I40-D42 VanDerWaalsContact C-N 3.27Å; I40-D42 PolarHBondContact O-N 2.82Å; D42-L44 VanDerWaalsContact C-N 3.3Å; D42-L44 PolarHBondContact O-N 3.44Å; D42-K45 PolarHBondContact O-N 3.26Å; D42-K45 IonicContact OD1-NZ 3.58Å; D42-K45 PolarHBondContact OD1-NZ 3.41Å; D42-D46 PolarHBondContact O-N 3.06Å
43L97.2Very high96.3Very high10 Ų1058.6 Ų58.65%0.05228%0.284CS..Hα-helixtrans-64-33.7171-73.4170.9000113.1E39 I40 D46 G47 K48 R51 A52 K55E39-L43 VanDerWaalsContact O-CG 3.27Å; E39-L43 WeakPolarHBondContact O-CG 3.45Å; E39-L43 PolarHBondContact O-N 2.83Å; E39-L43 VanDerWaalsContact O-N 3.09Å; I40-L43 WeakPolarHBondContact O-CB 3.3Å; I40-L43 PolarHBondContact O-N 3.49Å; I40-L43 VanDerWaalsContact O-N 3.15Å; L43-D46 PolarHBondContact O-N 3.24Å; L43-G47 PolarHBondContact O-N 3.35Å; L43-K48 HydrophobicContact CB-CB 4.46Å; L43-K48 HydrophobicContact CD2-CB 4.01Å; L43-K48 HydrophobicContact CD2-CD 3.97Å; L43-K48 PolarHBondContact O-N 3.01Å; L43-R51 HydrophobicContact CD1-CB 4.26Å; L43-R51 HydrophobicContact CD1-CG 3.88Å; L43-R51 HydrophobicContact CD2-CB 4.39Å; L43-R51 HydrophobicContact CD2-CG 4.2Å; L43-A52 HydrophobicContact CB-CB 4.17Å; L43-K55 HydrophobicContact CD1-CD 3.78Å
44L96.6Very high96.2Very high13 Ų1363.8 Ų63.87%0.06831%0.311CS..Hα-helixtrans-70.3-40.4175.1-70.9176.7000111.8I40 A41 D42 D46 G47 V49 A52 L165 V174 F176I40-L44 HydrophobicContact CG2-CD1 4.33Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 2.96Å; A41-L44 PolarHBondContact O-N 3.18Å; D42-L44 VanDerWaalsContact C-N 3.3Å; D42-L44 PolarHBondContact O-N 3.44Å; L44-D46 VanDerWaalsContact C-N 3.27Å; L44-D46 PolarHBondContact O-N 3.07Å; L44-G47 PolarHBondContact O-N 3.24Å; L44-V49 HydrophobicContact CD2-CG2 4.41Å; L44-A52 HydrophobicContact CD2-CB 3.86Å; L44-A52 HydrophobicContact CG-CB 4.13Å; L44-L165 HydrophobicContact CD1-CD2 4.21Å; L44-L165 HydrophobicContact CD2-CD2 4.27Å; L44-V174 HydrophobicContact CB-CG1 3.81Å; L44-F176 HydrophobicContact CD1-CG 4.49Å; L44-F176 HydrophobicContact CD2-CD2 3.72Å; L44-F176 HydrophobicContact CD2-CE2 4.02Å; L44-F176 HydrophobicContact CD2-CG 4.3Å
45K95.4Very high96.2Very high123 Ų12361.2 Ų61.254%0.53530%0.299SS..Hα-helixtrans-60.2-37.6171.7-66.3167.9-161.9160.10112.2A41 D42 G47 V174A41-K45 WeakPolarHBondContact O-CG 3.08Å; A41-K45 PolarHBondContact O-N 2.9Å; D42-K45 PolarHBondContact O-N 3.26Å; D42-K45 IonicContact OD1-NZ 3.58Å; D42-K45 PolarHBondContact OD1-NZ 3.41Å; K45-G47 PolarHBondContact O-N 2.98Å; K45-V174 HydrophobicContact CD-CG2 4.33Å; K45-V174 HydrophobicContact CG-CG1 3.87Å; K45-V174 HydrophobicContact CG-CG2 3.82Å
46D95.6Very high96.2Very high99 Ų9960.5 Ų60.553%0.52929%0.292SS..THydrogen-bonded Turntrans-72.7-5.4174.7-85-2.3000114.2D42 L43 L44 K48D42-D46 PolarHBondContact O-N 3.06Å; L43-D46 PolarHBondContact O-N 3.24Å; L44-D46 VanDerWaalsContact C-N 3.27Å; L44-D46 PolarHBondContact O-N 3.07Å; D46-K48 HydrophobicContact CB-CB 4.47Å; D46-K48 HydrophobicContact CB-CD 3.72Å; D46-K48 HydrophobicContact CB-CG 3.97Å; D46-K48 PolarHBondContact O-N 3.36Å; D46-K48 IonicContact OD2-NZ 2.66Å; D46-K48 PolarHBondContact OD2-NZ 2.93Å
47G93.1Very high96.1Very high54 Ų5462.2 Ų62.256%0.55730%0.299SS*.THydrogen-bonded Turntrans70.712-174.100000114.9L43 L44 K45 V49L43-G47 PolarHBondContact O-N 3.35Å; L44-G47 PolarHBondContact O-N 3.24Å; K45-G47 PolarHBondContact O-N 2.98Å; G47-V49 PolarHBondContact O-N 3.39Å
48K95.6Very high96Very high97 Ų9764 Ų6442%0.42231%0.31SS..  trans-87.155.1-175-66.5166.5-170.6157.10111.6L43 D46 D50 R51 A52L43-K48 HydrophobicContact CB-CB 4.46Å; L43-K48 HydrophobicContact CD2-CB 4.01Å; L43-K48 HydrophobicContact CD2-CD 3.97Å; L43-K48 PolarHBondContact O-N 3.01Å; D46-K48 HydrophobicContact CB-CB 4.47Å; D46-K48 HydrophobicContact CB-CD 3.72Å; D46-K48 HydrophobicContact CB-CG 3.97Å; D46-K48 PolarHBondContact O-N 3.36Å; D46-K48 IonicContact OD2-NZ 2.66Å; D46-K48 PolarHBondContact OD2-NZ 2.93Å; K48-D50 PolarHBondContact O-N 2.96Å; K48-R51 HydrophobicContact CB-CB 4.43Å; K48-R51 PolarHBondContact O-N 2.97Å; K48-R51 VanDerWaalsContact O-N 3.14Å; K48-A52 PolarHBondContact O-N 3.46Å; K48-A52 VanDerWaalsContact O-N 3.1Å
49V94.6Very high95.9Very high34 Ų3458 Ų5821%0.20629%0.287CS..Hα-helixtrans-56.5-43.5-169.8-1750000112.8L44 G47 R51 A52 R53 F176L44-V49 HydrophobicContact CD2-CG2 4.41Å; G47-V49 PolarHBondContact O-N 3.39Å; V49-R51 VanDerWaalsContact C-N 3.29Å; V49-R51 PolarHBondContact O-N 3.23Å; V49-A52 CarbonylContact O-C 3.56Å; V49-A52 WeakPolarHBondContact O-CA 3.39Å; V49-A52 VanDerWaalsContact O-CB 3.27Å; V49-A52 WeakPolarHBondContact O-CB 3.29Å; V49-A52 PolarHBondContact O-N 3.32Å; V49-R53 HydrophobicContact CG1-CG 4.49Å; V49-R53 PolarHBondContact O-N 3.42Å; V49-F176 HydrophobicContact CG1-CE2 3.81Å; V49-F176 HydrophobicContact CG1-CZ 4.4Å; V49-F176 HydrophobicContact CG2-CE2 4.27Å
50D94.9Very high95.9Very high108 Ų10853.3 Ų53.358%0.57827%0.266SS*.Hα-helixtrans-66.3-32.9-177.9-53.1-50.5000112.6K48 A52 R53 I54K48-D50 PolarHBondContact O-N 2.96Å; D50-A52 VanDerWaalsContact C-N 3.34Å; D50-R53 PolarHBondContact O-N 3.41Å; D50-R53 IonicContact OD1-NH1 2.81Å; D50-R53 PolarHBondContact OD1-NH1 3.03Å; D50-I54 WeakPolarHBondContact O-CG1 3.45Å; D50-I54 PolarHBondContact O-N 3.34Å
51R95.9Very high95.7Very high151 Ų15157.7 Ų57.757%0.5728%0.282SS*.Hα-helixtrans-72.2-30.6172.6-167.1175.9177.6-158.61.5111.7L43 K48 V49 K55L43-R51 HydrophobicContact CD1-CB 4.26Å; L43-R51 HydrophobicContact CD1-CG 3.88Å; L43-R51 HydrophobicContact CD2-CB 4.39Å; L43-R51 HydrophobicContact CD2-CG 4.2Å; K48-R51 HydrophobicContact CB-CB 4.43Å; K48-R51 PolarHBondContact O-N 2.97Å; K48-R51 VanDerWaalsContact O-N 3.14Å; V49-R51 VanDerWaalsContact C-N 3.29Å; V49-R51 PolarHBondContact O-N 3.23Å; R51-K55 PolarHBondContact O-N 3.09Å
52A96.9Very high95.6Very high0 Ų059 Ų590%029%0.289CS..Hα-helixtrans-67.5-44.9172.700000111.3I40 L43 L44 K48 V49 D50 I54 K55 V56 L165I40-A52 HydrophobicContact CG2-CB 4.17Å; L43-A52 HydrophobicContact CB-CB 4.17Å; L44-A52 HydrophobicContact CD2-CB 3.86Å; L44-A52 HydrophobicContact CG-CB 4.13Å; K48-A52 PolarHBondContact O-N 3.46Å; K48-A52 VanDerWaalsContact O-N 3.1Å; V49-A52 CarbonylContact O-C 3.56Å; V49-A52 WeakPolarHBondContact O-CA 3.39Å; V49-A52 VanDerWaalsContact O-CB 3.27Å; V49-A52 WeakPolarHBondContact O-CB 3.29Å; V49-A52 PolarHBondContact O-N 3.32Å; D50-A52 VanDerWaalsContact C-N 3.34Å; A52-I54 PolarHBondContact O-N 3.22Å; A52-K55 PolarHBondContact O-N 3.17Å; A52-V56 PolarHBondContact O-N 2.84Å; A52-L165 HydrophobicContact CB-CD2 3.91Å
53R95.4Very high95.5Very high51 Ų5156.7 Ų56.719%0.19228%0.277CS..Hα-helixtrans-53.7-52.9174.8-73171.5174.1141.5-1.1112.5V49 D50 K55 V56 E57 V161 E162 L165 D179V49-R53 HydrophobicContact CG1-CG 4.49Å; V49-R53 PolarHBondContact O-N 3.42Å; D50-R53 PolarHBondContact O-N 3.41Å; D50-R53 IonicContact OD1-NH1 2.81Å; D50-R53 PolarHBondContact OD1-NH1 3.03Å; R53-K55 VanDerWaalsContact C-N 3.27Å; R53-K55 PolarHBondContact O-N 2.98Å; R53-V56 WeakPolarHBondContact O-CB 3.36Å; R53-V56 PolarHBondContact O-N 2.71Å; R53-E57 PolarHBondContact O-N 3.08Å; R53-V161 HydrophobicContact CB-CG1 4.15Å; R53-V161 HydrophobicContact CG-CG1 4.13Å; R53-E162 IonicContact CZ-OE1 2.81Å; R53-E162 VanDerWaalsContact CZ-OE1 3.29Å; R53-E162 IonicContact NE-OE1 3.98Å; R53-E162 PolarHBondContact NE-OE1 3.47Å; R53-E162 IonicContact NH2-OE1 2.88Å; R53-E162 PolarHBondContact NH2-OE1 3.43Å; R53-E162 IonicContact NH2-OE2 2.93Å; R53-L165 HydrophobicContact CG-CD1 3.66Å; R53-D179 IonicContact CZ-OD2 3.07Å; R53-D179 IonicContact NH1-OD2 2.8Å; R53-D179 IonicContact NH2-OD2 2.59Å; R53-D179 PolarHBondContact NH2-OD2 3.17Å
54I95.1Very high95.4Very high111 Ų11158.7 Ų58.757%0.56928%0.284SS*.Hα-helixtrans-58.6-38.9179.3-64.9164.8000111.6D50 A52 Q58D50-I54 WeakPolarHBondContact O-CG1 3.45Å; D50-I54 PolarHBondContact O-N 3.34Å; A52-I54 PolarHBondContact O-N 3.22Å; I54-Q58 PolarHBondContact O-N 3.15Å
55K96.1Very high95.3Very high39 Ų3959.3 Ų59.317%0.1729%0.289CS..Hα-helixtrans-70.5-39.1174.9-78.8-165.1178.9-176.90112.7I36 E39 I40 L43 R51 A52 R53 E57 Q58 I59I36-K55 HydrophobicContact CG2-CB 4.25Å; I36-K55 HydrophobicContact CG2-CD 4.02Å; I36-K55 HydrophobicContact CG2-CG 4.45Å; E39-K55 IonicContact OE2-NZ 2.7Å; E39-K55 PolarHBondContact OE2-NZ 3.13Å; I40-K55 HydrophobicContact CD1-CB 3.85Å; I40-K55 HydrophobicContact CG1-CB 3.61Å; I40-K55 HydrophobicContact CG1-CD 4.13Å; L43-K55 HydrophobicContact CD1-CD 3.78Å; R51-K55 PolarHBondContact O-N 3.09Å; A52-K55 PolarHBondContact O-N 3.17Å; R53-K55 VanDerWaalsContact C-N 3.27Å; R53-K55 PolarHBondContact O-N 2.98Å; K55-E57 VanDerWaalsContact C-N 3.35Å; K55-Q58 WeakPolarHBondContact O-CB 3.4Å; K55-Q58 PolarHBondContact O-N 3.22Å; K55-I59 PolarHBondContact O-N 2.91Å; K55-I59 VanDerWaalsContact O-N 3.11Å
56V96.9Very high95.3Very high0 Ų054.9 Ų54.90%027%0.272CS..Hα-helixtrans-60.5-44175.6162.80000111.2I40 A52 R53 Q58 I59 I60 V161 Y164 L165 I168I40-V56 HydrophobicContact CD1-CG2 3.73Å; I40-V56 HydrophobicContact CG1-CG2 4.41Å; I40-V56 HydrophobicContact CG2-CG2 4.01Å; A52-V56 PolarHBondContact O-N 2.84Å; R53-V56 WeakPolarHBondContact O-CB 3.36Å; R53-V56 PolarHBondContact O-N 2.71Å; V56-Q58 PolarHBondContact O-N 3.01Å; V56-I59 PolarHBondContact O-N 3.3Å; V56-I59 VanDerWaalsContact O-N 3.08Å; V56-I60 HydrophobicContact CG1-CD1 3.65Å; V56-I60 HydrophobicContact CG1-CG1 4.23Å; V56-I60 WeakPolarHBondContact O-CG1 3.44Å; V56-I60 PolarHBondContact O-N 3.14Å; V56-V161 HydrophobicContact CB-CG1 4.23Å; V56-V161 HydrophobicContact CG1-CB 4.28Å; V56-V161 HydrophobicContact CG1-CG1 3.85Å; V56-Y164 VanDerWaalsContact CG1-CB 3.41Å; V56-Y164 HydrophobicContact CG1-CD1 4.31Å; V56-Y164 HydrophobicContact CG1-CG 4.13Å; V56-L165 HydrophobicContact CB-CD2 4.47Å; V56-L165 HydrophobicContact CG2-CD2 3.5Å; V56-L165 HydrophobicContact CG2-CG 3.93Å; V56-I168 HydrophobicContact CG2-CD1 3.91Å
57E95.6Very high95.3Very high56 Ų5653.9 Ų53.926%0.26226%0.264SS..Hα-helixtrans-55.5-38.8174.9-72.1179.3-143.800112.8R53 K55 R61 P156 V161R53-E57 PolarHBondContact O-N 3.08Å; K55-E57 VanDerWaalsContact C-N 3.35Å; E57-R61 WeakPolarHBondContact O-CG 3.48Å; E57-R61 PolarHBondContact O-N 3.35Å; E57-R61 VanDerWaalsContact O-N 3.15Å; E57-R61 IonicContact OE2-NH1 2.65Å; E57-R61 PolarHBondContact OE2-NH1 3.36Å; E57-P156 HydrophobicContact CB-CG 4.33Å; E57-P156 HydrophobicContact CG-CG 4.46Å; E57-V161 HydrophobicContact CG-CG2 3.82Å
58Q94.7Very high95.5Very high92 Ų9251.3 Ų51.343%0.4324%0.238SC..Hα-helixtrans-66.2-44.1176.7-177.6172.5-1500111.6I54 K55 V56 I60 R61 D62I54-Q58 PolarHBondContact O-N 3.15Å; K55-Q58 WeakPolarHBondContact O-CB 3.4Å; K55-Q58 PolarHBondContact O-N 3.22Å; V56-Q58 PolarHBondContact O-N 3.01Å; Q58-I60 VanDerWaalsContact C-N 3.35Å; Q58-I60 PolarHBondContact O-N 3.34Å; Q58-R61 PolarHBondContact O-N 3.42Å; Q58-D62 PolarHBondContact O-N 3.37Å
59I95.9Very high95.5Very high0 Ų046.7 Ų46.70%022%0.218CC..Hα-helixtrans-61.9-42.7176.4-62.4-171.8000111.2I36 R37 I40 K55 V56 R61 D62 D63 Y164I36-I59 HydrophobicContact CB-CD1 3.66Å; I36-I59 HydrophobicContact CB-CG1 4.01Å; I36-I59 HydrophobicContact CG2-CD1 3.67Å; I36-I59 HydrophobicContact CG2-CG1 3.84Å; R37-I59 HydrophobicContact CB-CD1 4.41Å; R37-I59 HydrophobicContact CG-CD1 3.57Å; I40-I59 HydrophobicContact CD1-CD1 3.38Å; I40-I59 HydrophobicContact CD1-CG1 4.21Å; K55-I59 PolarHBondContact O-N 2.91Å; K55-I59 VanDerWaalsContact O-N 3.11Å; V56-I59 PolarHBondContact O-N 3.3Å; V56-I59 VanDerWaalsContact O-N 3.08Å; I59-R61 VanDerWaalsContact C-N 3.29Å; I59-R61 PolarHBondContact O-N 3.42Å; I59-D62 PolarHBondContact O-N 3.03Å; I59-D62 VanDerWaalsContact O-N 3.16Å; I59-D63 WeakPolarHBondContact CG2-OD2 3.37Å; I59-D63 WeakPolarHBondContact O-CB 3.2Å; I59-D63 PolarHBondContact O-N 2.99Å; I59-Y164 HydrophobicContact CG2-CE1 4.42Å
60I96.2Very high95.6Very high0 Ų049.5 Ų49.50%023%0.232CC..Hα-helixtrans-59-42.3177.7-65.7163000110.8V56 Q58 Y64 P156 L160 V161 Y164V56-I60 HydrophobicContact CG1-CD1 3.65Å; V56-I60 HydrophobicContact CG1-CG1 4.23Å; V56-I60 WeakPolarHBondContact O-CG1 3.44Å; V56-I60 PolarHBondContact O-N 3.14Å; Q58-I60 VanDerWaalsContact C-N 3.35Å; Q58-I60 PolarHBondContact O-N 3.34Å; I60-Y64 HydrophobicContact CG2-CD2 4.18Å; I60-Y64 HydrophobicContact CG2-CE1 4.49Å; I60-Y64 HydrophobicContact CG2-CE2 3.9Å; I60-Y64 WeakPolarHBondContact O-CB 3.46Å; I60-Y64 PolarHBondContact O-N 3.14Å; I60-P156 HydrophobicContact CB-CB 4.37Å; I60-P156 HydrophobicContact CB-CG 3.89Å; I60-P156 HydrophobicContact CD1-CB 3.95Å; I60-P156 HydrophobicContact CD1-CG 4.22Å; I60-P156 HydrophobicContact CG2-CB 3.94Å; I60-P156 HydrophobicContact CG2-CG 3.71Å; I60-L160 HydrophobicContact CD1-CD2 4.32Å; I60-L160 HydrophobicContact CD1-CG 4.07Å; I60-L160 HydrophobicContact CG2-CD2 3.76Å; I60-V161 HydrophobicContact CD1-CG2 3.98Å; I60-Y164 HydrophobicContact CD1-CD1 4.31Å; I60-Y164 HydrophobicContact CD1-CD2 4.08Å; I60-Y164 HydrophobicContact CD1-CE2 4.45Å; I60-Y164 HydrophobicContact CD1-CG 4.02Å; I60-Y164 HydrophobicContact CG1-CD1 3.66Å; I60-Y164 HydrophobicContact CG1-CD2 3.95Å; I60-Y164 HydrophobicContact CG1-CE1 3.61Å; I60-Y164 HydrophobicContact CG1-CE2 3.91Å; I60-Y164 HydrophobicContact CG1-CG 3.83Å
61R94.4Very high95.7Very high91 Ų9146 Ų4634%0.34321%0.213SC..Hα-helixtrans-64.2-43.3175.4-71.9-176.5-67.7-98.7-1.9112.4E57 Q58 I59 C65 I154E57-R61 WeakPolarHBondContact O-CG 3.48Å; E57-R61 PolarHBondContact O-N 3.35Å; E57-R61 VanDerWaalsContact O-N 3.15Å; E57-R61 IonicContact OE2-NH1 2.65Å; E57-R61 PolarHBondContact OE2-NH1 3.36Å; Q58-R61 PolarHBondContact O-N 3.42Å; I59-R61 VanDerWaalsContact C-N 3.29Å; I59-R61 PolarHBondContact O-N 3.42Å; R61-C65 VanDerWaalsContact O-CB 3.29Å; R61-C65 WeakPolarHBondContact O-CB 3.26Å; R61-C65 PolarHBondContact O-N 2.87Å; R61-I154 WeakPolarHBondContact CD-O 3.3Å
62D94Very high95.7Very high29 Ų2938.8 Ų38.816%0.15519%0.185CC..Hα-helixtrans-68-39.8177.9-86.4-49.1000112.1K29 Q58 I59 C65 V66K29-D62 IonicContact NZ-OD1 3.9Å; K29-D62 PolarHBondContact NZ-OD1 2.99Å; Q58-D62 PolarHBondContact O-N 3.37Å; I59-D62 PolarHBondContact O-N 3.03Å; I59-D62 VanDerWaalsContact O-N 3.16Å; D62-C65 WeakPolarHBondContact O-CB 3.32Å; D62-C65 PolarHBondContact O-N 2.78Å; D62-V66 WeakPolarHBondContact O-CG2 3.34Å; D62-V66 PolarHBondContact O-N 3.42Å
63D95.9Very high95.7Very high33 Ų3339.6 Ų39.618%0.17619%0.189CC..Hα-helixtrans-63.1-46.9175.8-74.4-24.3000111.1R37 I59 C65 V66 E67 Y164R37-D63 IonicContact CZ-OD1 3.27Å; R37-D63 IonicContact CZ-OD2 3.9Å; R37-D63 IonicContact NH2-OD1 3.29Å; R37-D63 PolarHBondContact NH2-OD1 3.45Å; R37-D63 IonicContact NH2-OD2 2.83Å; R37-D63 PolarHBondContact NH2-OD2 3.29Å; I59-D63 WeakPolarHBondContact CG2-OD2 3.37Å; I59-D63 WeakPolarHBondContact O-CB 3.2Å; I59-D63 PolarHBondContact O-N 2.99Å; D63-C65 VanDerWaalsContact C-N 3.28Å; D63-C65 PolarHBondContact O-N 2.95Å; D63-V66 PolarHBondContact O-N 2.94Å; D63-E67 PolarHBondContact O-N 3.18Å; D63-Y164 WeakPolarHBondContact OD2-CE1 3.32Å; D63-Y164 PolarHBondContact OD2-OH 3.27Å
64Y95.4Very high95.8Very high52 Ų5240 Ų4020%0.20420%0.2CC..Hα-helixtrans-61.9-34173.1-74.8-10.9000113I60 A68 K150 S153 L160I60-Y64 HydrophobicContact CG2-CD2 4.18Å; I60-Y64 HydrophobicContact CG2-CE1 4.49Å; I60-Y64 HydrophobicContact CG2-CE2 3.9Å; I60-Y64 WeakPolarHBondContact O-CB 3.46Å; I60-Y64 PolarHBondContact O-N 3.14Å; Y64-A68 WeakPolarHBondContact O-CB 3.47Å; Y64-A68 PolarHBondContact O-N 3.43Å; Y64-K150 HydrophobicContact CD1-CD 3.57Å; Y64-K150 HydrophobicContact CD2-CD 4.33Å; Y64-K150 HydrophobicContact CE1-CD 4.1Å; Y64-K150 VanDerWaalsContact CE1-NZ 3.28Å; Y64-K150 HydrophobicContact CG-CD 3.69Å; Y64-S153 WeakPolarHBondContact CD2-OG 3.38Å; Y64-L160 WeakPolarHBondContact OH-CD2 3.47Å
65C93.8Very high95.9Very high26 Ų2636.7 Ų36.718%0.17618%0.181CC..Hα-helixtrans-68.2-39.1176-1660000111.5R61 D62 D63 M69R61-C65 VanDerWaalsContact O-CB 3.29Å; R61-C65 WeakPolarHBondContact O-CB 3.26Å; R61-C65 PolarHBondContact O-N 2.87Å; D62-C65 WeakPolarHBondContact O-CB 3.32Å; D62-C65 PolarHBondContact O-N 2.78Å; D63-C65 VanDerWaalsContact C-N 3.28Å; D63-C65 PolarHBondContact O-N 2.95Å; C65-M69 WeakPolarHBondContact O-CB 3.39Å; C65-M69 WeakPolarHBondContact O-CE 3.45Å; C65-M69 WeakPolarHBondContact O-CG 3.48Å; C65-M69 PolarHBondContact O-N 3.46Å
66V95.8Very high96Very high29 Ų2934.9 Ų34.918%0.17617%0.173CC..Hα-helixtrans-64.9-46.2172.9171.80000111.3Q26 K29 D62 D63 A68 M69 D70Q26-V66 HydrophobicContact CB-CG1 4.17Å; Q26-V66 HydrophobicContact CG-CG1 4.3Å; K29-V66 HydrophobicContact CB-CG2 3.52Å; K29-V66 HydrophobicContact CD-CG2 3.88Å; K29-V66 HydrophobicContact CG-CG2 4.36Å; D62-V66 WeakPolarHBondContact O-CG2 3.34Å; D62-V66 PolarHBondContact O-N 3.42Å; D63-V66 PolarHBondContact O-N 2.94Å; V66-A68 PolarHBondContact O-N 3.03Å; V66-M69 WeakPolarHBondContact O-CB 3.5Å; V66-M69 PolarHBondContact O-N 3.01Å; V66-M69 VanDerWaalsContact O-N 3.13Å; V66-D70 PolarHBondContact O-N 2.89Å
67E95.5Very high96Very high79 Ų7938.7 Ų38.737%0.36919%0.191SC..Hα-helixtrans-60.9-41.4177.1-171.5-172.715100112.2D63 D70 I71 K150D63-E67 PolarHBondContact O-N 3.18Å; E67-D70 PolarHBondContact O-N 3.25Å; E67-I71 PolarHBondContact O-N 3.42Å; E67-K150 VanDerWaalsContact CD-CE 3.47Å; E67-K150 WeakPolarHBondContact OE1-CE 3.47Å; E67-K150 IonicContact OE1-NZ 2.88Å; E67-K150 PolarHBondContact OE1-NZ 3.08Å; E67-K150 WeakPolarHBondContact OE2-CE 3.43Å; E67-K150 IonicContact OE2-NZ 2.68Å; E67-K150 PolarHBondContact OE2-NZ 3.23Å
68A96.1Very high96.1Very high0 Ų037.9 Ų37.90%019%0.189CC..Hα-helixtrans-65.7-37.3173.800000112.6Y64 V66 I72 K150 L151Y64-A68 WeakPolarHBondContact O-CB 3.47Å; Y64-A68 PolarHBondContact O-N 3.43Å; V66-A68 PolarHBondContact O-N 3.03Å; A68-I72 WeakPolarHBondContact O-CD1 3.5Å; A68-I72 VanDerWaalsContact O-CG1 3.26Å; A68-I72 WeakPolarHBondContact O-CG1 3.41Å; A68-I72 PolarHBondContact O-N 2.85Å; A68-I72 VanDerWaalsContact O-N 3.14Å; A68-K150 HydrophobicContact CB-CB 3.98Å; A68-L151 HydrophobicContact CB-CD1 4.33Å; A68-L151 HydrophobicContact CB-CD2 3.54Å; A68-L151 HydrophobicContact CB-CG 3.66Å
69M96.1Very high96.2Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-66.7-35.4177-85.6-170.8-8100112.9L22 V25 Q26 K29 C65 V66 I72 Q73 I110 E113 I114L22-M69 HydrophobicContact CD2-CB 3.58Å; L22-M69 HydrophobicContact CD2-CG 3.58Å; L22-M69 HydrophobicContact CD2-SD 3.89Å; V25-M69 HydrophobicContact CB-SD 4.49Å; V25-M69 HydrophobicContact CG1-CE 3.85Å; V25-M69 HydrophobicContact CG1-SD 3.75Å; Q26-M69 HydrophobicContact CG-CB 4.02Å; Q26-M69 PolarHBondContact NE2-O 3.3Å; K29-M69 HydrophobicContact CD-CE 3.79Å; C65-M69 WeakPolarHBondContact O-CB 3.39Å; C65-M69 WeakPolarHBondContact O-CE 3.45Å; C65-M69 WeakPolarHBondContact O-CG 3.48Å; C65-M69 PolarHBondContact O-N 3.46Å; V66-M69 WeakPolarHBondContact O-CB 3.5Å; V66-M69 PolarHBondContact O-N 3.01Å; V66-M69 VanDerWaalsContact O-N 3.13Å; M69-I72 PolarHBondContact O-N 2.91Å; M69-Q73 WeakPolarHBondContact O-CB 3.41Å; M69-Q73 PolarHBondContact O-N 3.06Å; M69-I110 HydrophobicContact CG-CG2 4.49Å; M69-E113 HydrophobicContact SD-CB 4.49Å; M69-I114 HydrophobicContact SD-CD1 4.07Å
70D96.7Very high96.2Very high93 Ų9335.3 Ų35.350%0.49718%0.178SC..Hα-helixtrans-61-48174.9-177.364.1000111.7V66 E67 I72 Q73 S74V66-D70 PolarHBondContact O-N 2.89Å; E67-D70 PolarHBondContact O-N 3.25Å; D70-I72 VanDerWaalsContact C-N 3.32Å; D70-I72 PolarHBondContact O-N 3.43Å; D70-Q73 WeakPolarHBondContact O-CB 3.47Å; D70-Q73 PolarHBondContact O-N 3.18Å; D70-Q73 VanDerWaalsContact O-N 3.14Å; D70-S74 PolarHBondContact O-N 3.47Å
71I97Very high96.2Very high34 Ų3439.3 Ų39.317%0.17421%0.211CC..Hα-helixtrans-61.3-40.5175.9-57.8167.2000111.3E67 Q73 S74 Y75 T146 V147E67-I71 PolarHBondContact O-N 3.42Å; I71-Q73 VanDerWaalsContact C-N 3.35Å; I71-S74 PolarHBondContact O-N 2.96Å; I71-Y75 HydrophobicContact CG2-CD2 4.11Å; I71-Y75 HydrophobicContact CG2-CE2 3.68Å; I71-Y75 WeakPolarHBondContact O-CD2 3.28Å; I71-Y75 PolarHBondContact O-N 3.01Å; I71-Y75 VanDerWaalsContact O-N 3.15Å; I71-T146 HydrophobicContact CD1-CG2 3.88Å; I71-V147 HydrophobicContact CB-CG2 3.72Å; I71-V147 HydrophobicContact CD1-CG2 3.94Å; I71-V147 HydrophobicContact CG1-CG2 4.44Å; I71-V147 HydrophobicContact CG2-CG2 3.47Å; I71-V147 VanDerWaalsContact CG2-CG2 3.47Å
72I96.7Very high96.2Very high0 Ų040.5 Ų40.50%022%0.216CC..Hα-helixtrans-65.8-37.8177.4-68.4163.7000111.3L22 A68 M69 D70 Y75 L76 I103 I110 V147 L151L22-I72 HydrophobicContact CD1-CG2 4.27Å; A68-I72 WeakPolarHBondContact O-CD1 3.5Å; A68-I72 VanDerWaalsContact O-CG1 3.26Å; A68-I72 WeakPolarHBondContact O-CG1 3.41Å; A68-I72 PolarHBondContact O-N 2.85Å; A68-I72 VanDerWaalsContact O-N 3.14Å; M69-I72 PolarHBondContact O-N 2.91Å; D70-I72 VanDerWaalsContact C-N 3.32Å; D70-I72 PolarHBondContact O-N 3.43Å; I72-Y75 PolarHBondContact O-N 2.93Å; I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CG 3.29Å; I72-L76 PolarHBondContact O-N 2.98Å; I72-I103 HydrophobicContact CG2-CG1 4.42Å; I72-I110 HydrophobicContact CD1-CD1 3.81Å; I72-I110 HydrophobicContact CG2-CD1 4.26Å; I72-V147 HydrophobicContact CD1-CG1 4.04Å; I72-V147 HydrophobicContact CG1-CG1 4.17Å; I72-L151 HydrophobicContact CD1-CD1 4.17Å
73Q96.9Very high96.2Very high17 Ų1739.5 Ų39.58%0.07921%0.21CC..Hα-helixtrans-62-49.5174.7-176-179.8-38.500111.2I19 L22 M69 D70 I71 Y75 L76 E77I19-Q73 HydrophobicContact CG2-CG 4.15Å; L22-Q73 HydrophobicContact CB-CB 4.26Å; L22-Q73 HydrophobicContact CB-CG 4.39Å; L22-Q73 HydrophobicContact CD1-CB 3.95Å; L22-Q73 HydrophobicContact CD1-CG 4.47Å; M69-Q73 WeakPolarHBondContact O-CB 3.41Å; M69-Q73 PolarHBondContact O-N 3.06Å; D70-Q73 WeakPolarHBondContact O-CB 3.47Å; D70-Q73 PolarHBondContact O-N 3.18Å; D70-Q73 VanDerWaalsContact O-N 3.14Å; I71-Q73 VanDerWaalsContact C-N 3.35Å; Q73-Y75 PolarHBondContact O-N 3.22Å; Q73-L76 WeakPolarHBondContact O-CA 3.27Å; Q73-L76 WeakPolarHBondContact O-CB 3.43Å; Q73-L76 PolarHBondContact O-N 3.41Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.48Å; Q73-E77 PolarHBondContact NE2-OE1 3.34Å; Q73-E77 WeakPolarHBondContact O-CG 3.32Å; Q73-E77 PolarHBondContact O-N 3.09Å
74S97.7Very high96.1Very high60 Ų6039.5 Ų39.542%0.4222%0.218SC..Hα-helixtrans-57.3-35177.6-171.40000112.7D70 I71 T78D70-S74 PolarHBondContact O-N 3.47Å; I71-S74 PolarHBondContact O-N 2.96Å; S74-T78 WeakPolarHBondContact O-CB 3.29Å; S74-T78 PolarHBondContact O-N 3.33Å; S74-T78 PolarHBondContact O-OG1 3.33Å
75Y97.3Very high96Very high41 Ų4140.5 Ų40.516%0.16123%0.226CC..Hα-helixtrans-71.2-37.4172.7-72.4-33000114.1I71 I72 Q73 E77 T78 I79 P99 T102 N144I71-Y75 HydrophobicContact CG2-CD2 4.11Å; I71-Y75 HydrophobicContact CG2-CE2 3.68Å; I71-Y75 WeakPolarHBondContact O-CD2 3.28Å; I71-Y75 PolarHBondContact O-N 3.01Å; I71-Y75 VanDerWaalsContact O-N 3.15Å; I72-Y75 PolarHBondContact O-N 2.93Å; Q73-Y75 PolarHBondContact O-N 3.22Å; Y75-E77 VanDerWaalsContact C-N 3.35Å; Y75-T78 PolarHBondContact O-N 3.28Å; Y75-I79 WeakPolarHBondContact O-CB 3.39Å; Y75-I79 WeakPolarHBondContact O-CG1 3.44Å; Y75-I79 PolarHBondContact O-N 2.84Å; Y75-P99 HydrophobicContact CD1-CB 3.87Å; Y75-P99 HydrophobicContact CD1-CG 3.71Å; Y75-P99 HydrophobicContact CE1-CG 4.12Å; Y75-P99 HydrophobicContact CG-CB 4.01Å; Y75-P99 HydrophobicContact CG-CG 4.35Å; Y75-T102 HydrophobicContact CD2-CG2 3.92Å; Y75-T102 HydrophobicContact CE2-CG2 3.89Å; Y75-N144 HydrophobicContact CE2-CB 3.87Å; Y75-N144 PolarHBondContact OH-ND2 3.35Å
76L97.5Very high95.9Very high1 Ų139.3 Ų39.31%0.00522%0.219CC..Hα-helixtrans-65.7-38.4172.9-74.4162.8000111.7I15 C18 I19 L22 I72 Q73 I79 N80 I103 L117I15-L76 HydrophobicContact CG1-CD2 4.28Å; I15-L76 HydrophobicContact CG2-CB 4.2Å; I15-L76 HydrophobicContact CG2-CD2 4.04Å; I15-L76 WeakPolarHBondContact CG2-O 3.36Å; C18-L76 HydrophobicContact CB-CD1 3.68Å; C18-L76 HydrophobicContact CB-CD2 4.43Å; I19-L76 HydrophobicContact CD1-CB 4.18Å; I19-L76 HydrophobicContact CG1-CB 3.77Å; L22-L76 HydrophobicContact CD1-CD1 3.43Å; L22-L76 VanDerWaalsContact CD1-CD1 3.43Å; I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CG 3.29Å; I72-L76 PolarHBondContact O-N 2.98Å; Q73-L76 WeakPolarHBondContact O-CA 3.27Å; Q73-L76 WeakPolarHBondContact O-CB 3.43Å; Q73-L76 PolarHBondContact O-N 3.41Å; L76-I79 PolarHBondContact O-N 3.42Å; L76-N80 WeakPolarHBondContact O-CB 3.31Å; L76-N80 PolarHBondContact O-N 2.68Å; L76-I103 HydrophobicContact CD2-CD1 3.64Å; L76-I103 HydrophobicContact CD2-CG1 4.26Å; L76-I103 HydrophobicContact CG-CD1 3.73Å; L76-I103 HydrophobicContact CG-CG1 4.25Å; L76-L117 HydrophobicContact CD1-CD1 4.48Å; L76-L117 HydrophobicContact CD2-CD1 4.32Å
77E97.6Very high95.5Very high80 Ų8042 Ų4237%0.37423%0.229SC..Hα-helixtrans-63.1-47.2173-72.1172.7-163.400111.6I19 Q73 Y75 I79 N80 A81I19-E77 HydrophobicContact CD1-CG 3.87Å; I19-E77 HydrophobicContact CG1-CG 4.22Å; I19-E77 HydrophobicContact CG2-CG 4.31Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.48Å; Q73-E77 PolarHBondContact NE2-OE1 3.34Å; Q73-E77 WeakPolarHBondContact O-CG 3.32Å; Q73-E77 PolarHBondContact O-N 3.09Å; Y75-E77 VanDerWaalsContact C-N 3.35Å; E77-I79 VanDerWaalsContact C-N 3.3Å; E77-I79 PolarHBondContact O-N 2.74Å; E77-N80 PolarHBondContact O-N 2.85Å; E77-N80 VanDerWaalsContact O-N 3.15Å; E77-A81 WeakPolarHBondContact O-CB 3.39Å; E77-A81 PolarHBondContact O-N 3.18Å
78T96.8Very high95.1Very high39 Ų3944.9 Ų44.924%0.23925%0.247CC..Hα-helixtrans-55.5-44.9175.2-61.30000111.5S74 Y75 A81 R82 L96 P99S74-T78 WeakPolarHBondContact O-CB 3.29Å; S74-T78 PolarHBondContact O-N 3.33Å; S74-T78 PolarHBondContact O-OG1 3.33Å; Y75-T78 PolarHBondContact O-N 3.28Å; T78-A81 PolarHBondContact O-N 2.93Å; T78-R82 PolarHBondContact O-N 2.88Å; T78-L96 HydrophobicContact CG2-CD2 4.24Å; T78-P99 HydrophobicContact CG2-CG 4.4Å
79I96.1Very high94.3Very high4 Ų446.5 Ų46.52%0.02126%0.261CS..Hα-helixtrans-66.2-42.3176.6-76.9171.3000112.1I15 Y75 L76 E77 A81 R82 F83 I86 L96 P99 I100 I103I15-I79 HydrophobicContact CD1-CG2 3.65Å; Y75-I79 WeakPolarHBondContact O-CB 3.39Å; Y75-I79 WeakPolarHBondContact O-CG1 3.44Å; Y75-I79 PolarHBondContact O-N 2.84Å; L76-I79 PolarHBondContact O-N 3.42Å; E77-I79 VanDerWaalsContact C-N 3.3Å; E77-I79 PolarHBondContact O-N 2.74Å; I79-A81 VanDerWaalsContact C-N 3.34Å; I79-R82 CarbonylContact O-C 3.22Å; I79-R82 PolarHBondContact O-N 3.19Å; I79-F83 VanDerWaalsContact O-CA 3.31Å; I79-F83 WeakPolarHBondContact O-CA 3Å; I79-F83 PolarHBondContact O-N 3.4Å; I79-F83 VanDerWaalsContact O-N 3.09Å; I79-I86 HydrophobicContact CG2-CD1 3.67Å; I79-L96 HydrophobicContact CG1-CD2 4.18Å; I79-P99 HydrophobicContact CD1-CB 3.92Å; I79-P99 HydrophobicContact CG1-CB 4.01Å; I79-I100 HydrophobicContact CD1-CG1 3.66Å; I79-I100 HydrophobicContact CG1-CG1 4.25Å; I79-I103 HydrophobicContact CD1-CD1 3.45Å; I79-I103 VanDerWaalsContact CD1-CD1 3.45Å
80N96.5Very high93.8Very high33 Ų3355.6 Ų55.618%0.17630%0.3CS..Hα-helixtrans-68.7-32.4178.5176.947.8000112.5I15 I19 L76 E77I15-N80 HydrophobicContact CG2-CB 3.88Å; I19-N80 HydrophobicContact CD1-CB 4.47Å; L76-N80 WeakPolarHBondContact O-CB 3.31Å; L76-N80 PolarHBondContact O-N 2.68Å; E77-N80 PolarHBondContact O-N 2.85Å; E77-N80 VanDerWaalsContact O-N 3.15Å
81A96.6Very high93.2Very high84 Ų8457.5 Ų57.569%0.69431%0.309SS*.Hα-helixtrans-69.9-44174.700000111.8E77 T78 I79 F83E77-A81 WeakPolarHBondContact O-CB 3.39Å; E77-A81 PolarHBondContact O-N 3.18Å; T78-A81 PolarHBondContact O-N 2.93Å; I79-A81 VanDerWaalsContact C-N 3.34Å; A81-F83 PolarHBondContact O-N 3.2Å
82R94.7Very high92.6Very high117 Ų11756.8 Ų56.844%0.44231%0.307SS..THydrogen-bonded Turntrans-97.526.6-178.9-59.5-175.9-173.7162.47.9113.6T78 I79 G84 L85 S95 L96T78-R82 PolarHBondContact O-N 2.88Å; I79-R82 CarbonylContact O-C 3.22Å; I79-R82 PolarHBondContact O-N 3.19Å; R82-G84 PolarHBondContact O-N 3.3Å; R82-L85 HydrophobicContact CB-CD1 4.11Å; R82-L85 HydrophobicContact CB-CG 4.47Å; R82-L85 PolarHBondContact O-N 2.92Å; R82-S95 PolarHBondContact NH1-OG 2.88Å; R82-L96 HydrophobicContact CB-CD1 4.33Å; R82-L96 HydrophobicContact CB-CD2 4.17Å
83F94.5Very high92.3Very high7 Ų760.1 Ų60.13%0.03133%0.325CS..Hα-helixtrans-57.2-30.4-169.5-164.9-96.2000114.3Y8 L11 R12 I15 I79 A81 L85 I86 Q87Y8-F83 HydrophobicContact CD1-CE1 4.48Å; Y8-F83 WeakPolarHBondContact O-CZ 3.17Å; L11-F83 HydrophobicContact CB-CZ 4.31Å; L11-F83 HydrophobicContact CD2-CE2 4.01Å; L11-F83 HydrophobicContact CD2-CZ 4.01Å; L11-F83 HydrophobicContact CG-CE2 3.9Å; L11-F83 HydrophobicContact CG-CZ 4.03Å; R12-F83 HydrophobicContact CB-CD1 4.48Å; R12-F83 HydrophobicContact CB-CD2 4.33Å; R12-F83 HydrophobicContact CB-CE1 3.99Å; R12-F83 HydrophobicContact CB-CE2 3.83Å; R12-F83 HydrophobicContact CB-CZ 3.65Å; R12-F83 HydrophobicContact CG-CD1 4.35Å; R12-F83 HydrophobicContact CG-CD2 4.11Å; R12-F83 HydrophobicContact CG-CE1 4.35Å; R12-F83 HydrophobicContact CG-CE2 4.13Å; R12-F83 HydrophobicContact CG-CG 4.23Å; R12-F83 HydrophobicContact CG-CZ 4.26Å; I15-F83 HydrophobicContact CD1-CD2 4.33Å; I15-F83 HydrophobicContact CD1-CE2 3.94Å; I79-F83 VanDerWaalsContact O-CA 3.31Å; I79-F83 WeakPolarHBondContact O-CA 3Å; I79-F83 PolarHBondContact O-N 3.4Å; I79-F83 VanDerWaalsContact O-N 3.09Å; A81-F83 PolarHBondContact O-N 3.2Å; F83-L85 VanDerWaalsContact C-N 3.31Å; F83-L85 PolarHBondContact O-N 3.19Å; F83-I86 WeakPolarHBondContact O-CB 3.39Å; F83-I86 PolarHBondContact O-N 3.16Å; F83-I86 VanDerWaalsContact O-N 3.15Å; F83-Q87 HydrophobicContact CD1-CG 4.17Å; F83-Q87 HydrophobicContact CE1-CG 4.08Å
84G93Very high92Very high33 Ų3363.1 Ų63.134%0.3435%0.353SS..Hα-helixtrans-57.7-38.6176.500000113.6R82 I86 Q87 D88R82-G84 PolarHBondContact O-N 3.3Å; G84-I86 PolarHBondContact O-N 3.07Å; G84-I86 VanDerWaalsContact O-N 3.15Å; G84-Q87 WeakPolarHBondContact O-CA 3.44Å; G84-Q87 WeakPolarHBondContact O-CB 3.37Å; G84-Q87 PolarHBondContact O-N 3.45Å; G84-D88 PolarHBondContact O-N 2.99Å; G84-D88 VanDerWaalsContact O-N 3.13Å
85L92.6Very high91.7Very high73 Ų7362.4 Ų62.438%0.38235%0.348SS..Hα-helixtrans-60.3-30.6178.8-58.8-178.1000112.4R82 F83 Q87 A89 D93 L96R82-L85 HydrophobicContact CB-CD1 4.11Å; R82-L85 HydrophobicContact CB-CG 4.47Å; R82-L85 PolarHBondContact O-N 2.92Å; F83-L85 VanDerWaalsContact C-N 3.31Å; F83-L85 PolarHBondContact O-N 3.19Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 3.13Å; L85-D93 HydrophobicContact CD1-CB 4.29Å; L85-L96 HydrophobicContact CB-CD1 3.87Å; L85-L96 HydrophobicContact CD1-CD1 4.18Å
86I91.2Very high91.5Very high2 Ų260.5 Ų60.51%0.0134%0.341CS..Hα-helixtrans-75.9-23.5176.6-61174.7000111.4L11 I79 F83 G84 L96 I100 K127 F128L11-I86 HydrophobicContact CD2-CG2 4.35Å; I79-I86 HydrophobicContact CG2-CD1 3.67Å; F83-I86 WeakPolarHBondContact O-CB 3.39Å; F83-I86 PolarHBondContact O-N 3.16Å; F83-I86 VanDerWaalsContact O-N 3.15Å; G84-I86 PolarHBondContact O-N 3.07Å; G84-I86 VanDerWaalsContact O-N 3.15Å; I86-L96 HydrophobicContact CD1-CD1 4.21Å; I86-L96 HydrophobicContact CG1-CD1 3.79Å; I86-I100 HydrophobicContact CD1-CD1 4.28Å; I86-I100 HydrophobicContact CG1-CD1 4.5Å; I86-K127 HydrophobicContact CG2-CG 4.42Å; I86-K127 WeakPolarHBondContact O-CE 3.26Å; I86-K127 PolarHBondContact O-NZ 3.45Å; I86-F128 HydrophobicContact CG2-CE2 4.48Å; I86-F128 HydrophobicContact CG2-CZ 4.25Å
87Q88.9Confident91.3Very high85 Ų8563.4 Ų63.440%0.39735%0.354SS..Hα-helixtrans-77-47.8176-53.9-168.5-91.900110.2Y8 F83 G84 L85 K127Y8-Q87 HydrophobicContact CD1-CG 3.87Å; Y8-Q87 HydrophobicContact CE1-CB 4.33Å; Y8-Q87 HydrophobicContact CE1-CG 4.11Å; Y8-Q87 HydrophobicContact CG-CG 4.23Å; F83-Q87 HydrophobicContact CD1-CG 4.17Å; F83-Q87 HydrophobicContact CE1-CG 4.08Å; G84-Q87 WeakPolarHBondContact O-CA 3.44Å; G84-Q87 WeakPolarHBondContact O-CB 3.37Å; G84-Q87 PolarHBondContact O-N 3.45Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; Q87-K127 PolarHBondContact O-NZ 2.98Å
88D86.3Confident91.2Very high140 Ų14062.2 Ų62.275%0.74935%0.352SS*.Hα-helixtrans-80-41.2-169.9-57.1-30.1000113.6G84G84-D88 PolarHBondContact O-N 2.99Å; G84-D88 VanDerWaalsContact O-N 3.13Å
89A80.4Confident91.1Very high34 Ų3460.7 Ų60.728%0.28134%0.343SS..  trans-81.7151.4-173.500000113.3L85 L91 K127L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 3.13Å; A89-L91 WeakPolarHBondContact CB-O 3.48Å; A89-K127 WeakPolarHBondContact O-CE 3.44Å; A89-K127 PolarHBondContact O-NZ 3.43Å
90K83.9Confident91.1Very high190 Ų19060.5 Ų60.583%0.82634%0.342SS*.SBendtrans-86.4-29.8171.5-71-178.2-180175.50113.1
91L85.5Confident91Very high133 Ų13359 Ų5970%0.69633%0.334SS*.SBendtrans-112.5157.8173.8-71.9110000108.6A89A89-L91 WeakPolarHBondContact CB-O 3.48Å
92P84.4Confident91Very high20 Ų2055 Ų5513%0.1330%0.301CS..  trans-61139.1171.128.6-36000109.8E97 I100 F128 Y132P92-E97 HydrophobicContact CB-CB 4.48Å; P92-E97 HydrophobicContact CG-CB 4.49Å; P92-I100 HydrophobicContact CB-CD1 4.07Å; P92-F128 HydrophobicContact CB-CE1 4.32Å; P92-F128 HydrophobicContact CB-CZ 4.33Å; P92-Y132 HydrophobicContact CG-CE2 4.05Å
93D89.8Confident91Very high69 Ų6949.4 Ų49.437%0.36928%0.28SS..  trans-63149.7165.4173.162.5000110L85 S95 L96 E97L85-D93 HydrophobicContact CD1-CB 4.29Å; D93-S95 PolarHBondContact O-N 3.11Å; D93-S95 WeakPolarHBondContact OD2-CB 3.5Å; D93-S95 PolarHBondContact OD2-N 3.3Å; D93-S95 PolarHBondContact OD2-OG 3.45Å; D93-L96 CarbonylContact O-C 3.53Å; D93-L96 WeakPolarHBondContact O-CA 3.4Å; D93-L96 PolarHBondContact O-N 2.89Å; D93-E97 PolarHBondContact O-N 3.13Å
94A90.2Very high91.1Very high80 Ų8049.1 Ų49.166%0.66128%0.278SS*.Hα-helixtrans-56.2-29.2-17900000112.7L96A94-L96 VanDerWaalsContact C-N 3.31Å; A94-L96 PolarHBondContact O-N 3.01Å
95S92Very high91.2Very high46 Ų4648 Ų4832%0.32226%0.264SS..Hα-helixtrans-79.2-10.7176.881.60000114.6R82 D93R82-S95 PolarHBondContact NH1-OG 2.88Å; D93-S95 PolarHBondContact O-N 3.11Å; D93-S95 WeakPolarHBondContact OD2-CB 3.5Å; D93-S95 PolarHBondContact OD2-N 3.3Å; D93-S95 PolarHBondContact OD2-OG 3.45Å
96L93.9Very high91.3Very high1 Ų144.5 Ų44.51%0.00525%0.246CC..Hα-helixtrans-113-14.3178.4-65.3-176.1000113.7T78 I79 R82 L85 I86 D93 A94 P99 I100T78-L96 HydrophobicContact CG2-CD2 4.24Å; I79-L96 HydrophobicContact CG1-CD2 4.18Å; R82-L96 HydrophobicContact CB-CD1 4.33Å; R82-L96 HydrophobicContact CB-CD2 4.17Å; L85-L96 HydrophobicContact CB-CD1 3.87Å; L85-L96 HydrophobicContact CD1-CD1 4.18Å; I86-L96 HydrophobicContact CD1-CD1 4.21Å; I86-L96 HydrophobicContact CG1-CD1 3.79Å; D93-L96 CarbonylContact O-C 3.53Å; D93-L96 WeakPolarHBondContact O-CA 3.4Å; D93-L96 PolarHBondContact O-N 2.89Å; A94-L96 VanDerWaalsContact C-N 3.31Å; A94-L96 PolarHBondContact O-N 3.01Å; L96-P99 WeakPolarHBondContact O-CD 3.32Å; L96-I100 HydrophobicContact CB-CD1 3.85Å; L96-I100 HydrophobicContact CB-CG1 4.49Å; L96-I100 VanDerWaalsContact O-CB 3.27Å; L96-I100 WeakPolarHBondContact O-CB 3.44Å; L96-I100 WeakPolarHBondContact O-CD1 3.42Å; L96-I100 WeakPolarHBondContact O-CG1 3.39Å; L96-I100 PolarHBondContact O-N 3.09Å
97E93.2Very high91.4Very high62 Ų6246.5 Ų46.529%0.2925%0.254SS..Hα-helixtrans-54.3-56.4178.6-173.8168.2-116.300112.6P92 D93 I100 A101 M142P92-E97 HydrophobicContact CB-CB 4.48Å; P92-E97 HydrophobicContact CG-CB 4.49Å; D93-E97 PolarHBondContact O-N 3.13Å; E97-I100 PolarHBondContact O-N 3.25Å; E97-A101 VanDerWaalsContact O-CB 3.26Å; E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 3.42Å; E97-M142 HydrophobicContact CG-CE 3.96Å; E97-M142 HydrophobicContact CG-CG 4.23Å; E97-M142 HydrophobicContact CG-SD 3.64Å; E97-M142 WeakPolarHBondContact OE1-CE 3.25Å
98T94.4Very high91.5Very high55 Ų5546.8 Ų46.834%0.33727%0.266SS..Hα-helixtrans-62.1-47177.9-600000113.6T102 M142T98-T102 VanDerWaalsContact O-CB 3.3Å; T98-T102 WeakPolarHBondContact O-CB 3.45Å; T98-T102 PolarHBondContact O-N 3.43Å; T98-T102 PolarHBondContact O-OG1 2.88Å; T98-M142 WeakPolarHBondContact CA-O 3.38Å
99P95.9Very high91.9Very high7 Ų745.6 Ų45.65%0.04525%0.251CS..Hα-helixtrans-53.2-51.3171.1-29.433.9000113.8Y75 T78 I79 L96 T102 I103Y75-P99 HydrophobicContact CD1-CB 3.87Å; Y75-P99 HydrophobicContact CD1-CG 3.71Å; Y75-P99 HydrophobicContact CE1-CG 4.12Å; Y75-P99 HydrophobicContact CG-CB 4.01Å; Y75-P99 HydrophobicContact CG-CG 4.35Å; T78-P99 HydrophobicContact CG2-CG 4.4Å; I79-P99 HydrophobicContact CD1-CB 3.92Å; I79-P99 HydrophobicContact CG1-CB 4.01Å; L96-P99 WeakPolarHBondContact O-CD 3.32Å; P99-T102 PolarHBondContact O-N 3.4Å; P99-I103 WeakPolarHBondContact O-CD1 3.36Å; P99-I103 PolarHBondContact O-N 2.87Å
100I95.3Very high92.4Very high0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-65.5-46.7-176.6-70.5167.4000110.6I79 I86 P92 L96 E97 T102 I103 L104 L124 F128 Y132I79-I100 HydrophobicContact CD1-CG1 3.66Å; I79-I100 HydrophobicContact CG1-CG1 4.25Å; I86-I100 HydrophobicContact CD1-CD1 4.28Å; I86-I100 HydrophobicContact CG1-CD1 4.5Å; P92-I100 HydrophobicContact CB-CD1 4.07Å; L96-I100 HydrophobicContact CB-CD1 3.85Å; L96-I100 HydrophobicContact CB-CG1 4.49Å; L96-I100 VanDerWaalsContact O-CB 3.27Å; L96-I100 WeakPolarHBondContact O-CB 3.44Å; L96-I100 WeakPolarHBondContact O-CD1 3.42Å; L96-I100 WeakPolarHBondContact O-CG1 3.39Å; L96-I100 PolarHBondContact O-N 3.09Å; E97-I100 PolarHBondContact O-N 3.25Å; I100-T102 PolarHBondContact O-N 3.08Å; I100-I103 PolarHBondContact O-N 3.36Å; I100-L104 HydrophobicContact CG2-CD1 3.77Å; I100-L104 HydrophobicContact CG2-CG 4.39Å; I100-L104 WeakPolarHBondContact O-CB 3.49Å; I100-L104 VanDerWaalsContact O-CG 3.29Å; I100-L104 WeakPolarHBondContact O-CG 3.43Å; I100-L104 PolarHBondContact O-N 3.04Å; I100-L124 HydrophobicContact CG2-CD1 4.39Å; I100-L124 HydrophobicContact CG2-CD2 4.43Å; I100-F128 HydrophobicContact CD1-CE2 3.88Å; I100-F128 HydrophobicContact CD1-CZ 4.13Å; I100-F128 HydrophobicContact CG2-CE2 4.47Å; I100-Y132 HydrophobicContact CG2-CE1 3.86Å
101A94.9Very high92.9Very high0 Ų040.9 Ų40.90%022%0.224CC..Hα-helixtrans-60.4-44.3177.900000111.7E97 I103 L104 W105 C136 M142 V143E97-A101 VanDerWaalsContact O-CB 3.26Å; E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 3.42Å; A101-I103 PolarHBondContact O-N 3.18Å; A101-L104 PolarHBondContact O-N 3.07Å; A101-W105 WeakPolarHBondContact O-CB 3.28Å; A101-W105 PolarHBondContact O-N 3.38Å; A101-C136 HydrophobicContact CB-CB 4.23Å; A101-M142 HydrophobicContact CB-CB 3.58Å; A101-V143 HydrophobicContact CB-CG2 4.46Å
102T96Very high93.2Very high0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-63.3-41.8179.1-570000112.1Y75 T98 P99 I100 S106 V143 N144 V147Y75-T102 HydrophobicContact CD2-CG2 3.92Å; Y75-T102 HydrophobicContact CE2-CG2 3.89Å; T98-T102 VanDerWaalsContact O-CB 3.3Å; T98-T102 WeakPolarHBondContact O-CB 3.45Å; T98-T102 PolarHBondContact O-N 3.43Å; T98-T102 PolarHBondContact O-OG1 2.88Å; P99-T102 PolarHBondContact O-N 3.4Å; I100-T102 PolarHBondContact O-N 3.08Å; T102-S106 VanDerWaalsContact O-CB 3.26Å; T102-S106 WeakPolarHBondContact O-CB 3.19Å; T102-S106 PolarHBondContact O-N 3.09Å; T102-S106 PolarHBondContact O-OG 3.25Å; T102-V143 HydrophobicContact CG2-CG1 4.29Å; T102-N144 HydrophobicContact CG2-CB 4.1Å; T102-N144 PolarHBondContact OG1-N 3.14Å; T102-V147 HydrophobicContact CG2-CB 4.14Å; T102-V147 HydrophobicContact CG2-CG1 4.04Å; T102-V147 HydrophobicContact CG2-CG2 4.11Å
103I95.6Very high93.6Very high1 Ų143.5 Ų43.51%0.00524%0.236CC..Hα-helixtrans-64.8-45.5175.8-78.8157.1000111.6I72 L76 I79 P99 I100 A101 W105 S106 K107 L117 V120I72-I103 HydrophobicContact CG2-CG1 4.42Å; L76-I103 HydrophobicContact CD2-CD1 3.64Å; L76-I103 HydrophobicContact CD2-CG1 4.26Å; L76-I103 HydrophobicContact CG-CD1 3.73Å; L76-I103 HydrophobicContact CG-CG1 4.25Å; I79-I103 HydrophobicContact CD1-CD1 3.45Å; I79-I103 VanDerWaalsContact CD1-CD1 3.45Å; P99-I103 WeakPolarHBondContact O-CD1 3.36Å; P99-I103 PolarHBondContact O-N 2.87Å; I100-I103 PolarHBondContact O-N 3.36Å; A101-I103 PolarHBondContact O-N 3.18Å; I103-W105 VanDerWaalsContact C-N 3.31Å; I103-W105 PolarHBondContact O-N 3.35Å; I103-S106 PolarHBondContact O-N 3.01Å; I103-K107 PolarHBondContact O-N 3.39Å; I103-K107 VanDerWaalsContact O-N 3.09Å; I103-L117 HydrophobicContact CG2-CD1 3.78Å; I103-V120 HydrophobicContact CG2-CG1 4.38Å
104L95.2Very high93.9Very high0 Ų040.3 Ų40.30%022%0.219CC..Hα-helixtrans-63.3-36.3179.2-73.6171.3000112.8I100 A101 K107 L124 Y132 V133 C136 C137I100-L104 HydrophobicContact CG2-CD1 3.77Å; I100-L104 HydrophobicContact CG2-CG 4.39Å; I100-L104 WeakPolarHBondContact O-CB 3.49Å; I100-L104 VanDerWaalsContact O-CG 3.29Å; I100-L104 WeakPolarHBondContact O-CG 3.43Å; I100-L104 PolarHBondContact O-N 3.04Å; A101-L104 PolarHBondContact O-N 3.07Å; L104-K107 VanDerWaalsContact O-CD 3.32Å; L104-K107 WeakPolarHBondContact O-CD 3.32Å; L104-K107 VanDerWaalsContact O-CE 3.29Å; L104-K107 WeakPolarHBondContact O-CE 3.35Å; L104-K107 VanDerWaalsContact O-CG 3.29Å; L104-K107 WeakPolarHBondContact O-CG 3.44Å; L104-L124 HydrophobicContact CD2-CB 4.06Å; L104-L124 HydrophobicContact CD2-CD1 4.11Å; L104-L124 HydrophobicContact CG-CD1 4.32Å; L104-Y132 HydrophobicContact CD1-CD1 4.27Å; L104-Y132 HydrophobicContact CD1-CE1 3.91Å; L104-V133 HydrophobicContact CD1-CG2 3.93Å; L104-V133 HydrophobicContact CD2-CG1 4.08Å; L104-V133 HydrophobicContact CD2-CG2 4.06Å; L104-C136 HydrophobicContact CB-CB 4.12Å; L104-C136 HydrophobicContact CD1-CB 4.26Å; L104-C137 PolarHBondContact O-SG 2.99Å; L104-C137 VanDerWaalsContact O-SG 3.41Å
105W95.2Very high94Very high9 Ų939.8 Ų39.83%0.03421%0.209CC..Hα-helixtrans-72.1-44.4174.8-176.890000112.3A101 I103 K107 R109 V143 V147 M148 L151A101-W105 WeakPolarHBondContact O-CB 3.28Å; A101-W105 PolarHBondContact O-N 3.38Å; I103-W105 VanDerWaalsContact C-N 3.31Å; I103-W105 PolarHBondContact O-N 3.35Å; W105-K107 PolarHBondContact O-N 3.02Å; W105-R109 VanDerWaalsContact CH2-CD 3.44Å; W105-R109 VanDerWaalsContact CZ2-NE 3.34Å; W105-V143 HydrophobicContact CB-CG1 4.27Å; W105-V143 HydrophobicContact CB-CG2 3.63Å; W105-V143 HydrophobicContact CD2-CG1 3.98Å; W105-V143 HydrophobicContact CE3-CG1 3.96Å; W105-V143 HydrophobicContact CG-CG1 4.11Å; W105-V143 HydrophobicContact CG-CG2 3.81Å; W105-V147 HydrophobicContact CZ3-CG1 4.4Å; W105-M148 HydrophobicContact CH2-CB 4.09Å; W105-M148 HydrophobicContact CH2-CG 3.81Å; W105-M148 HydrophobicContact CZ2-CB 4.42Å; W105-M148 HydrophobicContact CZ2-CE 4.31Å; W105-M148 HydrophobicContact CZ2-CG 3.73Å; W105-M148 HydrophobicContact CZ3-CB 4.43Å; W105-L151 HydrophobicContact CH2-CB 4.39Å; W105-L151 HydrophobicContact CZ3-CB 4.24Å; W105-L151 HydrophobicContact CZ3-CD1 4.15Å
106S94.6Very high94.2Very high0 Ų039.7 Ų39.70%020%0.203CC..Hα-helixtrans-69.5-28.6-175.4-580000113.4T102 I103 S108 R109 I110T102-S106 VanDerWaalsContact O-CB 3.26Å; T102-S106 WeakPolarHBondContact O-CB 3.19Å; T102-S106 PolarHBondContact O-N 3.09Å; T102-S106 PolarHBondContact O-OG 3.25Å; I103-S106 PolarHBondContact O-N 3.01Å; S106-S108 PolarHBondContact O-N 3.37Å; S106-R109 PolarHBondContact O-N 3.3Å; S106-I110 WeakPolarHBondContact O-CG1 3.15Å; S106-I110 PolarHBondContact O-N 3.12Å
107K93.5Very high94.2Very high45 Ų4539.7 Ų39.720%0.19620%0.203CC..THydrogen-bonded Turntrans-50.6-33-176.480.5-169.9174.6176.90114.5I103 L104 W105 R109 K111 L117I103-K107 PolarHBondContact O-N 3.39Å; I103-K107 VanDerWaalsContact O-N 3.09Å; L104-K107 VanDerWaalsContact O-CD 3.32Å; L104-K107 WeakPolarHBondContact O-CD 3.32Å; L104-K107 VanDerWaalsContact O-CE 3.29Å; L104-K107 WeakPolarHBondContact O-CE 3.35Å; L104-K107 VanDerWaalsContact O-CG 3.29Å; L104-K107 WeakPolarHBondContact O-CG 3.44Å; W105-K107 PolarHBondContact O-N 3.02Å; K107-R109 VanDerWaalsContact C-N 3.32Å; K107-K111 WeakPolarHBondContact O-CB 3.47Å; K107-K111 PolarHBondContact O-N 3.22Å; K107-L117 HydrophobicContact CB-CD2 4.13Å; K107-L117 HydrophobicContact CB-CG 4.07Å
108S92.4Very high94.3Very high91 Ų9139.7 Ų39.764%0.63621%0.205SC*.THydrogen-bonded Turntrans-77-18.8-179-166.50000113.4S106S106-S108 PolarHBondContact O-N 3.37Å
109R92.7Very high94.3Very high114 Ų11439.5 Ų39.543%0.4320%0.202SC..THydrogen-bonded Turntrans-98.1-39.9-174.5-72.1165.7163.371.64111.8W105 S106 K107 L151 N152W105-R109 VanDerWaalsContact CH2-CD 3.44Å; W105-R109 VanDerWaalsContact CZ2-NE 3.34Å; S106-R109 PolarHBondContact O-N 3.3Å; K107-R109 VanDerWaalsContact C-N 3.32Å; R109-L151 HydrophobicContact CB-CD1 4.26Å; R109-N152 PolarHBondContact NE-OD1 3.28Å; R109-N152 PolarHBondContact NH2-OD1 3.11Å
110I92.9Very high94.3Very high3 Ų339.3 Ų39.32%0.01520%0.2CC..SBendtrans-100.516.1179.755163.6000114M69 I72 S106 N112 E113 I114 L117 L151M69-I110 HydrophobicContact CG-CG2 4.49Å; I72-I110 HydrophobicContact CD1-CD1 3.81Å; I72-I110 HydrophobicContact CG2-CD1 4.26Å; S106-I110 WeakPolarHBondContact O-CG1 3.15Å; S106-I110 PolarHBondContact O-N 3.12Å; I110-N112 PolarHBondContact O-N 2.95Å; I110-N112 VanDerWaalsContact O-N 3.15Å; I110-E113 PolarHBondContact O-N 3.02Å; I110-I114 HydrophobicContact CD1-CD1 3.87Å; I110-I114 PolarHBondContact O-N 3.15Å; I110-I114 VanDerWaalsContact O-N 3.14Å; I110-L117 HydrophobicContact CD1-CD2 3.46Å; I110-L117 VanDerWaalsContact CD1-CD2 3.46Å; I110-L117 HydrophobicContact CG1-CD2 3.85Å; I110-L151 HydrophobicContact CG2-CD1 4.39Å; I110-L151 HydrophobicContact CG2-CD2 4.24Å
111K92.8Very high94.3Very high122 Ų12239.4 Ų39.453%0.5320%0.201SC..THydrogen-bonded Turntrans-53-36.3-177.9-175.1172.7177.8174.60114.2K107 E113K107-K111 WeakPolarHBondContact O-CB 3.47Å; K107-K111 PolarHBondContact O-N 3.22Å; K111-E113 VanDerWaalsContact C-N 3.33Å
112N92.8Very high94.3Very high153 Ų15344 Ų4482%0.81822%0.222SC*.THydrogen-bonded Turntrans-75.5-23.4-177.9-64.6-10.5000112.8I110I110-N112 PolarHBondContact O-N 2.95Å; I110-N112 VanDerWaalsContact O-N 3.15Å
113E93.4Very high94.2Very high55 Ų5544.2 Ų44.226%0.25722%0.224SC..THydrogen-bonded Turntrans-89.5-44.6-177.7-58.4-69.518000110.9R21 V25 K29 M69 I110 K111R21-E113 PolarHBondContact NE-O 3.14Å; R21-E113 PolarHBondContact NH2-O 3.39Å; V25-E113 HydrophobicContact CG1-CB 4.2Å; V25-E113 HydrophobicContact CG1-CG 4.43Å; V25-E113 WeakPolarHBondContact CG1-OE2 3.5Å; K29-E113 WeakPolarHBondContact CE-OE1 3.29Å; K29-E113 IonicContact NZ-OE1 2.81Å; K29-E113 PolarHBondContact NZ-OE1 3.46Å; M69-E113 HydrophobicContact SD-CB 4.49Å; I110-E113 PolarHBondContact O-N 3.02Å; K111-E113 VanDerWaalsContact C-N 3.33Å
114I94.5Very high94.1Very high2 Ų244.3 Ų44.31%0.0122%0.224CC..  trans-129.288-177.4-53.9115.2000110.6C18 R21 L22 M69 I110 E116 L117C18-I114 HydrophobicContact CB-CG2 4.12Å; R21-I114 HydrophobicContact CB-CG1 4.38Å; R21-I114 HydrophobicContact CB-CG2 4.39Å; R21-I114 HydrophobicContact CG-CB 4.25Å; R21-I114 HydrophobicContact CG-CG1 3.74Å; R21-I114 HydrophobicContact CG-CG2 4.14Å; L22-I114 HydrophobicContact CD2-CD1 3.42Å; L22-I114 VanDerWaalsContact CD2-CD1 3.42Å; L22-I114 HydrophobicContact CD2-CG1 4.31Å; L22-I114 HydrophobicContact CG-CD1 3.75Å; L22-I114 HydrophobicContact CG-CG1 4.12Å; M69-I114 HydrophobicContact SD-CD1 4.07Å; I110-I114 HydrophobicContact CD1-CD1 3.87Å; I110-I114 PolarHBondContact O-N 3.15Å; I110-I114 VanDerWaalsContact O-N 3.14Å; I114-E116 VanDerWaalsContact C-N 3.27Å; I114-E116 HydrophobicContact CG2-CB 4.4Å; I114-E116 WeakPolarHBondContact CG2-OE2 3.4Å; I114-E116 PolarHBondContact O-N 2.94Å; I114-L117 HydrophobicContact CB-CB 4.48Å; I114-L117 HydrophobicContact CG2-CB 4.06Å; I114-L117 WeakPolarHBondContact O-CB 3.48Å; I114-L117 PolarHBondContact O-N 3.22Å
115P93.9Very high94Very high69 Ų6945.3 Ų45.345%0.44823%0.233SC..THydrogen-bonded Turntrans-66.8-25.5178.227.1-35.2000113.6L117 D118P115-L117 PolarHBondContact O-N 2.94Å; P115-D118 WeakPolarHBondContact O-CB 3.39Å; P115-D118 PolarHBondContact O-N 2.87Å
116E94.5Very high93.9Very high44 Ų4448.1 Ų48.121%0.20625%0.247CC..Hα-helixtrans-62.4-24.8179.3-58.880.5-175.400112.3L17 I114 D118 I119 V120L17-E116 HydrophobicContact CB-CG 4.07Å; L17-E116 HydrophobicContact CD1-CG 4.4Å; I114-E116 VanDerWaalsContact C-N 3.27Å; I114-E116 HydrophobicContact CG2-CB 4.4Å; I114-E116 WeakPolarHBondContact CG2-OE2 3.4Å; I114-E116 PolarHBondContact O-N 2.94Å; E116-D118 PolarHBondContact O-N 3.26Å; E116-I119 WeakPolarHBondContact O-CB 3.4Å; E116-I119 PolarHBondContact O-N 3.13Å; E116-V120 PolarHBondContact O-N 2.95Å; E116-V120 VanDerWaalsContact O-N 3.16Å
117L95.3Very high93.7Very high2 Ų249.9 Ų49.91%0.0126%0.255CS..Hα-helixtrans-66-25.2179.7-162.261.7000112.5L76 I103 K107 I110 I114 P115 V120 G121L76-L117 HydrophobicContact CD1-CD1 4.48Å; L76-L117 HydrophobicContact CD2-CD1 4.32Å; I103-L117 HydrophobicContact CG2-CD1 3.78Å; K107-L117 HydrophobicContact CB-CD2 4.13Å; K107-L117 HydrophobicContact CB-CG 4.07Å; I110-L117 HydrophobicContact CD1-CD2 3.46Å; I110-L117 VanDerWaalsContact CD1-CD2 3.46Å; I110-L117 HydrophobicContact CG1-CD2 3.85Å; I114-L117 HydrophobicContact CB-CB 4.48Å; I114-L117 HydrophobicContact CG2-CB 4.06Å; I114-L117 WeakPolarHBondContact O-CB 3.48Å; I114-L117 PolarHBondContact O-N 3.22Å; P115-L117 PolarHBondContact O-N 2.94Å; L117-V120 HydrophobicContact CD1-CB 4.44Å; L117-G121 PolarHBondContact O-N 3.15Å
118D95Very high93.7Very high61 Ų6149 Ų4933%0.32625%0.251SS..Hα-helixtrans-66.1-41.5172.2-167.373000110.9P115 E116 G121 Q122P115-D118 WeakPolarHBondContact O-CB 3.39Å; P115-D118 PolarHBondContact O-N 2.87Å; E116-D118 PolarHBondContact O-N 3.26Å; D118-G121 CarbonylContact O-C 3.57Å; D118-G121 PolarHBondContact O-N 3.41Å; D118-Q122 VanDerWaalsContact O-CG 3.31Å; D118-Q122 WeakPolarHBondContact O-CG 3.38Å; D118-Q122 PolarHBondContact O-N 3.34Å; D118-Q122 PolarHBondContact OD2-NE2 3.18Å
119I94.8Very high93.6Very high52 Ų5246.1 Ų46.127%0.26724%0.236SC..Hα-helixtrans-65.9-41.7177.3-57.2172.8000110.5K10 N14 E116 G121 Q122 Q123K10-I119 HydrophobicContact CG-CG2 4.41Å; N14-I119 HydrophobicContact CB-CG2 4.38Å; N14-I119 WeakPolarHBondContact OD1-CD1 3.07Å; E116-I119 WeakPolarHBondContact O-CB 3.4Å; E116-I119 PolarHBondContact O-N 3.13Å; I119-G121 VanDerWaalsContact C-N 3.34Å; I119-Q122 PolarHBondContact O-N 3.32Å; I119-Q123 WeakPolarHBondContact O-CG 3.41Å; I119-Q123 PolarHBondContact O-N 3.18Å; I119-Q123 VanDerWaalsContact O-N 3.08Å
120V95.8Very high93.5Very high2 Ų250.6 Ų50.61%0.01225%0.253CS..Hα-helixtrans-58-48172176.60000110.2L11 N14 I15 I103 E116 L117 Q122 Q123 L124L11-V120 HydrophobicContact CD1-CB 4.43Å; L11-V120 HydrophobicContact CD1-CG1 3.92Å; N14-V120 HydrophobicContact CB-CG2 3.75Å; I15-V120 HydrophobicContact CG1-CG1 4.03Å; I15-V120 HydrophobicContact CG1-CG2 3.96Å; I103-V120 HydrophobicContact CG2-CG1 4.38Å; E116-V120 PolarHBondContact O-N 2.95Å; E116-V120 VanDerWaalsContact O-N 3.16Å; L117-V120 HydrophobicContact CD1-CB 4.44Å; V120-Q122 PolarHBondContact O-N 2.95Å; V120-Q123 PolarHBondContact O-N 3.4Å; V120-L124 HydrophobicContact CG1-CD1 3.83Å; V120-L124 HydrophobicContact CG1-CG 4.47Å; V120-L124 VanDerWaalsContact O-CG 3.32Å; V120-L124 WeakPolarHBondContact O-CG 3.41Å; V120-L124 PolarHBondContact O-N 3.27Å
121G94.6Very high93.4Very high2 Ų255.7 Ų55.72%0.02128%0.28CS..Hα-helixtrans-62.1-36.4177.600000114.4L117 D118 I119 A125L117-G121 PolarHBondContact O-N 3.15Å; D118-G121 CarbonylContact O-C 3.57Å; D118-G121 PolarHBondContact O-N 3.41Å; I119-G121 VanDerWaalsContact C-N 3.34Å; G121-A125 WeakPolarHBondContact O-CB 3.4Å; G121-A125 PolarHBondContact O-N 3.38Å
122Q94.2Very high93.3Very high96 Ų9651.4 Ų51.445%0.44926%0.261SS..Hα-helixtrans-65.8-45174.7-71.8174.633.200111.9D118 I119 V120 A125 I126D118-Q122 VanDerWaalsContact O-CG 3.31Å; D118-Q122 WeakPolarHBondContact O-CG 3.38Å; D118-Q122 PolarHBondContact O-N 3.34Å; D118-Q122 PolarHBondContact OD2-NE2 3.18Å; I119-Q122 PolarHBondContact O-N 3.32Å; V120-Q122 PolarHBondContact O-N 2.95Å; Q122-A125 WeakPolarHBondContact O-CB 3.21Å; Q122-A125 PolarHBondContact O-N 3.16Å; Q122-I126 WeakPolarHBondContact O-CG1 3.29Å; Q122-I126 PolarHBondContact O-N 2.97Å; Q122-I126 VanDerWaalsContact O-N 3.09Å
123Q94.4Very high93.2Very high6 Ų644.7 Ų44.73%0.02823%0.225CC..Hα-helixtrans-67.1-40.8179.7-68.2-63.6-3600111.9L11 I119 V120 A125 I126 K127L11-Q123 HydrophobicContact CB-CB 3.99Å; L11-Q123 HydrophobicContact CB-CG 4.24Å; L11-Q123 HydrophobicContact CD1-CB 3.95Å; L11-Q123 HydrophobicContact CD2-CB 4.43Å; L11-Q123 HydrophobicContact CG-CB 4.31Å; I119-Q123 WeakPolarHBondContact O-CG 3.41Å; I119-Q123 PolarHBondContact O-N 3.18Å; I119-Q123 VanDerWaalsContact O-N 3.08Å; V120-Q123 PolarHBondContact O-N 3.4Å; Q123-A125 VanDerWaalsContact C-N 3.3Å; Q123-A125 PolarHBondContact O-N 2.96Å; Q123-I126 WeakPolarHBondContact O-CB 3.42Å; Q123-I126 PolarHBondContact O-N 3.23Å; Q123-I126 VanDerWaalsContact O-N 3.17Å; Q123-K127 PolarHBondContact O-N 3.44Å
124L93.4Very high93.2Very high3 Ų347.9 Ų47.92%0.01624%0.235CC..Hα-helixtrans-62.5-36.3172-68168.8000112.1L11 I100 L104 V120 I126 K127 F128L11-L124 HydrophobicContact CD1-CG 4.38Å; L11-L124 HydrophobicContact CD2-CD2 4.49Å; I100-L124 HydrophobicContact CG2-CD1 4.39Å; I100-L124 HydrophobicContact CG2-CD2 4.43Å; L104-L124 HydrophobicContact CD2-CB 4.06Å; L104-L124 HydrophobicContact CD2-CD1 4.11Å; L104-L124 HydrophobicContact CG-CD1 4.32Å; V120-L124 HydrophobicContact CG1-CD1 3.83Å; V120-L124 HydrophobicContact CG1-CG 4.47Å; V120-L124 VanDerWaalsContact O-CG 3.32Å; V120-L124 WeakPolarHBondContact O-CG 3.41Å; V120-L124 PolarHBondContact O-N 3.27Å; L124-I126 VanDerWaalsContact C-N 3.3Å; L124-I126 PolarHBondContact O-N 3.01Å; L124-K127 PolarHBondContact O-N 3.19Å; L124-F128 HydrophobicContact CD2-CD2 4.2Å; L124-F128 HydrophobicContact CD2-CE2 3.8Å; L124-F128 PolarHBondContact O-N 2.94Å
125A93.2Very high93Very high21 Ų2152.2 Ų52.217%0.17426%0.255CS..Hα-helixtrans-66.3-29.5174.400000113.7G121 Q122 Q123 G129 R130 V133G121-A125 WeakPolarHBondContact O-CB 3.4Å; G121-A125 PolarHBondContact O-N 3.38Å; Q122-A125 WeakPolarHBondContact O-CB 3.21Å; Q122-A125 PolarHBondContact O-N 3.16Å; Q123-A125 VanDerWaalsContact C-N 3.3Å; Q123-A125 PolarHBondContact O-N 2.96Å; A125-G129 CarbonylContact O-C 3.58Å; A125-G129 WeakPolarHBondContact O-CA 3.34Å; A125-G129 PolarHBondContact O-N 3.26Å; A125-G129 VanDerWaalsContact O-N 3.16Å; A125-R130 PolarHBondContact O-N 2.95Å; A125-V133 HydrophobicContact CB-CG2 3.72Å
126I92.8Very high92.8Very high67 Ų6749.1 Ų49.134%0.34424%0.235SC..Hα-helixtrans-74-43.9172.6-67.8166000110.2S4 C6 Q122 Q123 L124S4-I126 WeakPolarHBondContact O-CG2 3.48Å; C6-I126 HydrophobicContact CB-CG2 4.12Å; Q122-I126 WeakPolarHBondContact O-CG1 3.29Å; Q122-I126 PolarHBondContact O-N 2.97Å; Q122-I126 VanDerWaalsContact O-N 3.09Å; Q123-I126 WeakPolarHBondContact O-CB 3.42Å; Q123-I126 PolarHBondContact O-N 3.23Å; Q123-I126 VanDerWaalsContact O-N 3.17Å; L124-I126 VanDerWaalsContact C-N 3.3Å; L124-I126 PolarHBondContact O-N 3.01Å
127K91.8Very high92.6Very high38 Ų3849.3 Ų49.317%0.16524%0.241CC..Hα-helixtrans-68.2-51.9-177.5177.368.2-164-153.70113.7C6 Y8 I86 Q87 A89 Q123 L124C6-K127 HydrophobicContact CB-CB 4.16Å; Y8-K127 HydrophobicContact CE1-CD 4.18Å; Y8-K127 PolarHBondContact OH-NZ 3.47Å; Y8-K127 VanDerWaalsContact OH-NZ 3.09Å; I86-K127 HydrophobicContact CG2-CG 4.42Å; I86-K127 WeakPolarHBondContact O-CE 3.26Å; I86-K127 PolarHBondContact O-NZ 3.45Å; Q87-K127 PolarHBondContact O-NZ 2.98Å; A89-K127 WeakPolarHBondContact O-CE 3.44Å; A89-K127 PolarHBondContact O-NZ 3.43Å; Q123-K127 PolarHBondContact O-N 3.44Å; L124-K127 PolarHBondContact O-N 3.19Å
128F91.9Very high92.3Very high27 Ų2756 Ų5612%0.11827%0.272CS..SBendtrans-100.1-3.3-174.6-58.9-63.1000113.6I86 P92 I100 L124 Y132I86-F128 HydrophobicContact CG2-CE2 4.48Å; I86-F128 HydrophobicContact CG2-CZ 4.25Å; P92-F128 HydrophobicContact CB-CE1 4.32Å; P92-F128 HydrophobicContact CB-CZ 4.33Å; I100-F128 HydrophobicContact CD1-CE2 3.88Å; I100-F128 HydrophobicContact CD1-CZ 4.13Å; I100-F128 HydrophobicContact CG2-CE2 4.47Å; L124-F128 HydrophobicContact CD2-CD2 4.2Å; L124-F128 HydrophobicContact CD2-CE2 3.8Å; L124-F128 PolarHBondContact O-N 2.94Å; F128-Y132 HydrophobicContact CB-CD1 3.57Å; F128-Y132 HydrophobicContact CB-CE1 4.23Å; F128-Y132 HydrophobicContact CB-CG 4.05Å; F128-Y132 HydrophobicContact CD2-CD1 4.48Å; F128-Y132 HydrophobicContact CD2-CE1 4.38Å; F128-Y132 HydrophobicContact CG-CD1 4.24Å; F128-Y132 HydrophobicContact CG-CE1 4.42Å
129G90.9Very high91.8Very high30 Ų3058.6 Ų58.631%0.30928%0.28SS..  trans85152.5179.900000114A125 N131 Y132 V133A125-G129 CarbonylContact O-C 3.58Å; A125-G129 WeakPolarHBondContact O-CA 3.34Å; A125-G129 PolarHBondContact O-N 3.26Å; A125-G129 VanDerWaalsContact O-N 3.16Å; G129-N131 VanDerWaalsContact C-N 3.25Å; G129-N131 PolarHBondContact O-N 3.25Å; G129-Y132 PolarHBondContact O-N 3.48Å; G129-V133 PolarHBondContact O-N 3.16Å
130R90.1Very high91.2Very high207 Ų20756.8 Ų56.878%0.78127%0.273SS*.Hα-helixtrans-64.5-25.2-176.3-66.7-176.9-72.6-165.2-2.3114A125 R134A125-R130 PolarHBondContact O-N 2.95Å; R130-R134 PolarHBondContact O-N 3.33Å
131N91.9Very high90.7Very high111 Ų11163.6 Ų63.659%0.59431%0.31SS*.Hα-helixtrans-69.9-45.6177.5-69.4-20.5000111.5G129 V133 R134 E135G129-N131 VanDerWaalsContact C-N 3.25Å; G129-N131 PolarHBondContact O-N 3.25Å; N131-V133 VanDerWaalsContact C-N 3.31Å; N131-V133 PolarHBondContact O-N 3.15Å; N131-R134 WeakPolarHBondContact O-CA 3.44Å; N131-R134 WeakPolarHBondContact O-CB 3.45Å; N131-R134 PolarHBondContact O-N 3.35Å; N131-R134 VanDerWaalsContact O-N 3.08Å; N131-R134 PolarHBondContact OD1-NH1 3.01Å; N131-E135 WeakPolarHBondContact O-CG 3.49Å; N131-E135 PolarHBondContact O-N 2.94Å
132Y90.5Very high90.3Very high31 Ų3167 Ų6712%0.12233%0.326CS..Hα-helixtrans-57.9-43.9175.3175.2-102.2000111.7P92 I100 L104 F128 G129 R134 E135 C136P92-Y132 HydrophobicContact CG-CE2 4.05Å; I100-Y132 HydrophobicContact CG2-CE1 3.86Å; L104-Y132 HydrophobicContact CD1-CD1 4.27Å; L104-Y132 HydrophobicContact CD1-CE1 3.91Å; F128-Y132 HydrophobicContact CB-CD1 3.57Å; F128-Y132 HydrophobicContact CB-CE1 4.23Å; F128-Y132 HydrophobicContact CB-CG 4.05Å; F128-Y132 HydrophobicContact CD2-CD1 4.48Å; F128-Y132 HydrophobicContact CD2-CE1 4.38Å; F128-Y132 HydrophobicContact CG-CD1 4.24Å; F128-Y132 HydrophobicContact CG-CE1 4.42Å; G129-Y132 PolarHBondContact O-N 3.48Å; Y132-R134 VanDerWaalsContact C-N 3.33Å; Y132-R134 PolarHBondContact O-N 2.92Å; Y132-E135 PolarHBondContact O-N 3.47Å; Y132-C136 PolarHBondContact O-N 2.79Å; Y132-C136 PolarHBondContact O-SG 2.97Å
133V91.4Very high90.2Very high13 Ų1362.8 Ų62.88%0.07931%0.307CS..Hα-helixtrans-62.5-39.5175.7178.20000112L104 A125 G129 N131 C136 C137L104-V133 HydrophobicContact CD1-CG2 3.93Å; L104-V133 HydrophobicContact CD2-CG1 4.08Å; L104-V133 HydrophobicContact CD2-CG2 4.06Å; A125-V133 HydrophobicContact CB-CG2 3.72Å; G129-V133 PolarHBondContact O-N 3.16Å; N131-V133 VanDerWaalsContact C-N 3.31Å; N131-V133 PolarHBondContact O-N 3.15Å; V133-C136 PolarHBondContact O-N 2.93Å; V133-C137 WeakPolarHBondContact O-CB 3.49Å; V133-C137 PolarHBondContact O-N 2.88Å; V133-C137 PolarHBondContact O-SG 3.39Å
134R91.6Very high90.1Very high122 Ų12264 Ų6446%0.4631%0.313SS..Hα-helixtrans-60.3-47.6174.1-171-171.9-64.7107.1-2110.7R130 N131 Y132 C136 C137 E138R130-R134 PolarHBondContact O-N 3.33Å; N131-R134 WeakPolarHBondContact O-CA 3.44Å; N131-R134 WeakPolarHBondContact O-CB 3.45Å; N131-R134 PolarHBondContact O-N 3.35Å; N131-R134 VanDerWaalsContact O-N 3.08Å; N131-R134 PolarHBondContact OD1-NH1 3.01Å; Y132-R134 VanDerWaalsContact C-N 3.33Å; Y132-R134 PolarHBondContact O-N 2.92Å; R134-C136 PolarHBondContact O-N 3.1Å; R134-C137 PolarHBondContact O-N 3.45Å; R134-E138 VanDerWaalsContact CD-OE1 3.29Å; R134-E138 WeakPolarHBondContact CD-OE1 3.44Å; R134-E138 VanDerWaalsContact CD-OE2 3.3Å; R134-E138 WeakPolarHBondContact CD-OE2 3.44Å; R134-E138 HydrophobicContact CG-CG 4.02Å; R134-E138 WeakPolarHBondContact CG-OE1 3.44Å; R134-E138 VanDerWaalsContact CG-OE2 3.25Å; R134-E138 WeakPolarHBondContact CG-OE2 3.36Å; R134-E138 WeakPolarHBondContact O-CB 3.37Å; R134-E138 PolarHBondContact O-N 2.81Å
135E91.3Very high90.1Very high92 Ų9273.9 Ų73.943%0.4335%0.351SS..Hα-helixtrans-62.2-41.3179.6-67.5-172.8127.800112.6N131 Y132 C137 K139 A140N131-E135 WeakPolarHBondContact O-CG 3.49Å; N131-E135 PolarHBondContact O-N 2.94Å; Y132-E135 PolarHBondContact O-N 3.47Å; E135-C137 VanDerWaalsContact C-N 3.34Å; E135-C137 PolarHBondContact O-N 2.66Å; E135-K139 HydrophobicContact CB-CD 4.2Å; E135-K139 HydrophobicContact CG-CD 4.17Å; E135-K139 VanDerWaalsContact O-CB 3.31Å; E135-K139 WeakPolarHBondContact O-CB 3.48Å; E135-K139 PolarHBondContact O-N 3.12Å; E135-K139 IonicContact OE1-NZ 2.65Å; E135-K139 PolarHBondContact OE1-NZ 2.83Å; E135-A140 PolarHBondContact O-N 2.81Å
136C89.8Confident90.1Very high4 Ų476 Ų763%0.02736%0.361CS..Hα-helixtrans-61.1-41.4174.1-63.90000112.3A101 L104 Y132 V133 R134A101-C136 HydrophobicContact CB-CB 4.23Å; L104-C136 HydrophobicContact CB-CB 4.12Å; L104-C136 HydrophobicContact CD1-CB 4.26Å; Y132-C136 PolarHBondContact O-N 2.79Å; Y132-C136 PolarHBondContact O-SG 2.97Å; V133-C136 PolarHBondContact O-N 2.93Å; R134-C136 PolarHBondContact O-N 3.1Å
137C89.2Confident90.2Very high48 Ų4872.8 Ų72.832%0.32435%0.345SS..Hα-helixtrans-75.8-42-178.8-69.40000113.6L104 V133 R134 E135L104-C137 PolarHBondContact O-SG 2.99Å; L104-C137 VanDerWaalsContact O-SG 3.41Å; V133-C137 WeakPolarHBondContact O-CB 3.49Å; V133-C137 PolarHBondContact O-N 2.88Å; V133-C137 PolarHBondContact O-SG 3.39Å; R134-C137 PolarHBondContact O-N 3.45Å; E135-C137 VanDerWaalsContact C-N 3.34Å; E135-C137 PolarHBondContact O-N 2.66Å
138E89.2Confident90.3Very high142 Ų14274.1 Ų74.166%0.66435%0.353SS*.Hα-helixtrans-91.1-47.7-171.9-69.3174.9-174.400112.9R134R134-E138 VanDerWaalsContact CD-OE1 3.29Å; R134-E138 WeakPolarHBondContact CD-OE1 3.44Å; R134-E138 VanDerWaalsContact CD-OE2 3.3Å; R134-E138 WeakPolarHBondContact CD-OE2 3.44Å; R134-E138 HydrophobicContact CG-CG 4.02Å; R134-E138 WeakPolarHBondContact CG-OE1 3.44Å; R134-E138 VanDerWaalsContact CG-OE2 3.25Å; R134-E138 WeakPolarHBondContact CG-OE2 3.36Å; R134-E138 WeakPolarHBondContact O-CB 3.37Å; R134-E138 PolarHBondContact O-N 2.81Å
139K85.3Confident90.3Very high116 Ų11677.5 Ų77.550%0.50438%0.375SS..THydrogen-bonded Turntrans-79.9-33-177.7-58.9178.6176.7176.30111.7E135 N141E135-K139 HydrophobicContact CB-CD 4.2Å; E135-K139 HydrophobicContact CG-CD 4.17Å; E135-K139 VanDerWaalsContact O-CB 3.31Å; E135-K139 WeakPolarHBondContact O-CB 3.48Å; E135-K139 PolarHBondContact O-N 3.12Å; E135-K139 IonicContact OE1-NZ 2.65Å; E135-K139 PolarHBondContact OE1-NZ 2.83Å; K139-N141 PolarHBondContact O-N 3.07Å; K139-N141 PolarHBondContact O-OD1 2.86Å
140A82.8Confident90.4Very high14 Ų1478 Ų7812%0.11637%0.369CS..  trans53.78.1-178.400000116.6E135 M142 V143 M148E135-A140 PolarHBondContact O-N 2.81Å; A140-M142 PolarHBondContact O-N 3.34Å; A140-M142 VanDerWaalsContact O-N 3.08Å; A140-V143 HydrophobicContact CB-CB 4.35Å; A140-V143 HydrophobicContact CB-CG2 4.05Å; A140-V143 VanDerWaalsContact O-CB 3.31Å; A140-V143 WeakPolarHBondContact O-CB 3.34Å; A140-V143 PolarHBondContact O-N 3.12Å; A140-M148 HydrophobicContact CB-CE 4.07Å; A140-M148 HydrophobicContact CB-SD 4.21Å
141N84.3Confident90.5Very high146 Ų14669.7 Ų69.778%0.78134%0.34SS*.THydrogen-bonded Turntrans-56.9-28.7-176.5-69-14000114.7K139K139-N141 PolarHBondContact O-N 3.07Å; K139-N141 PolarHBondContact O-OD1 2.86Å
142M87Confident90.3Very high72 Ų7267.3 Ų67.336%0.35533%0.327SS..THydrogen-bonded Turntrans-97.91.6-179.1-65165.4167.300113E97 T98 A101 A140E97-M142 HydrophobicContact CG-CE 3.96Å; E97-M142 HydrophobicContact CG-CG 4.23Å; E97-M142 HydrophobicContact CG-SD 3.64Å; E97-M142 WeakPolarHBondContact OE1-CE 3.25Å; T98-M142 WeakPolarHBondContact CA-O 3.38Å; A101-M142 HydrophobicContact CB-CB 3.58Å; A140-M142 PolarHBondContact O-N 3.34Å; A140-M142 VanDerWaalsContact O-N 3.08Å
143V91.2Very high89.8Confident9 Ų967.7 Ų67.76%0.05533%0.334CS..SBendtrans-84.8141.3-175.5177.20000109.8A101 T102 W105 A140 R145 M148A101-V143 HydrophobicContact CB-CG2 4.46Å; T102-V143 HydrophobicContact CG2-CG1 4.29Å; W105-V143 HydrophobicContact CB-CG1 4.27Å; W105-V143 HydrophobicContact CB-CG2 3.63Å; W105-V143 HydrophobicContact CD2-CG1 3.98Å; W105-V143 HydrophobicContact CE3-CG1 3.96Å; W105-V143 HydrophobicContact CG-CG1 4.11Å; W105-V143 HydrophobicContact CG-CG2 3.81Å; A140-V143 HydrophobicContact CB-CB 4.35Å; A140-V143 HydrophobicContact CB-CG2 4.05Å; A140-V143 VanDerWaalsContact O-CB 3.31Å; A140-V143 WeakPolarHBondContact O-CB 3.34Å; A140-V143 PolarHBondContact O-N 3.12Å; V143-R145 PolarHBondContact O-N 3.43Å; V143-R145 VanDerWaalsContact O-N 3.13Å; V143-M148 HydrophobicContact CG1-CB 4.48Å
144N93.1Very high89.1Confident31 Ų3173.6 Ų73.617%0.16636%0.364CS..  trans-57.5118.2173.1179.9-53.3000110.7Y75 T102 T146 V147 M148Y75-N144 HydrophobicContact CE2-CB 3.87Å; Y75-N144 PolarHBondContact OH-ND2 3.35Å; T102-N144 HydrophobicContact CG2-CB 4.1Å; T102-N144 PolarHBondContact OG1-N 3.14Å; N144-T146 VanDerWaalsContact C-N 3.3Å; N144-T146 PolarHBondContact O-N 2.9Å; N144-T146 WeakPolarHBondContact OD1-CA 3.46Å; N144-T146 WeakPolarHBondContact OD1-CB 3.49Å; N144-T146 PolarHBondContact OD1-N 3.39Å; N144-V147 HydrophobicContact CB-CB 4.3Å; N144-V147 HydrophobicContact CB-CG2 4.04Å; N144-V147 PolarHBondContact O-N 2.9Å; N144-V147 PolarHBondContact OD1-N 2.88Å; N144-V147 VanDerWaalsContact OD1-N 3.13Å; N144-M148 PolarHBondContact O-N 3.28Å
145R93.5Very high88.9Confident211 Ų21173 Ų7380%0.79637%0.374SS*.Hα-helixtrans-63.3-30.8-176.8-69.3-159.7-79-160.5-3.2113.5V143 M148 T149V143-R145 PolarHBondContact O-N 3.43Å; V143-R145 VanDerWaalsContact O-N 3.13Å; R145-M148 PolarHBondContact O-N 2.95Å; R145-T149 PolarHBondContact O-N 3.31Å; R145-T149 PolarHBondContact O-OG1 3.21Å
146T93.3Very high88.8Confident65 Ų6569.3 Ų69.340%0.39936%0.358SS..Hα-helixtrans-64.4-49.3174.6-49.60000110.8I71 N144 M148 T149 K150I71-T146 HydrophobicContact CD1-CG2 3.88Å; N144-T146 VanDerWaalsContact C-N 3.3Å; N144-T146 PolarHBondContact O-N 2.9Å; N144-T146 WeakPolarHBondContact OD1-CA 3.46Å; N144-T146 WeakPolarHBondContact OD1-CB 3.49Å; N144-T146 PolarHBondContact OD1-N 3.39Å; T146-M148 VanDerWaalsContact C-N 3.27Å; T146-M148 PolarHBondContact O-N 2.7Å; T146-T149 PolarHBondContact O-N 2.66Å; T146-K150 HydrophobicContact CG2-CG 4.24Å; T146-K150 WeakPolarHBondContact O-CB 3.42Å; T146-K150 WeakPolarHBondContact O-CG 3.25Å; T146-K150 PolarHBondContact O-N 2.97Å
147V94.3Very high88.9Confident0 Ų070.8 Ų70.80%037%0.374CS..Hα-helixtrans-59.7-40.8175.9178.90000110.8I71 I72 T102 W105 N144 L151I71-V147 HydrophobicContact CB-CG2 3.72Å; I71-V147 HydrophobicContact CD1-CG2 3.94Å; I71-V147 HydrophobicContact CG1-CG2 4.44Å; I71-V147 HydrophobicContact CG2-CG2 3.47Å; I71-V147 VanDerWaalsContact CG2-CG2 3.47Å; I72-V147 HydrophobicContact CD1-CG1 4.04Å; I72-V147 HydrophobicContact CG1-CG1 4.17Å; T102-V147 HydrophobicContact CG2-CB 4.14Å; T102-V147 HydrophobicContact CG2-CG1 4.04Å; T102-V147 HydrophobicContact CG2-CG2 4.11Å; W105-V147 HydrophobicContact CZ3-CG1 4.4Å; N144-V147 HydrophobicContact CB-CB 4.3Å; N144-V147 HydrophobicContact CB-CG2 4.04Å; N144-V147 PolarHBondContact O-N 2.9Å; N144-V147 PolarHBondContact OD1-N 2.88Å; N144-V147 VanDerWaalsContact OD1-N 3.13Å; V147-L151 HydrophobicContact CG1-CD1 3.83Å; V147-L151 HydrophobicContact CG1-CG 4.31Å; V147-L151 WeakPolarHBondContact O-CB 3.37Å; V147-L151 PolarHBondContact O-N 3.06Å
148M93.2Very high89Confident66 Ų6671.5 Ų71.533%0.32538%0.383SS..Hα-helixtrans-62.5-44.1177.1-170173.3-171.700112.6W105 A140 V143 N144 R145 T146 N152W105-M148 HydrophobicContact CH2-CB 4.09Å; W105-M148 HydrophobicContact CH2-CG 3.81Å; W105-M148 HydrophobicContact CZ2-CB 4.42Å; W105-M148 HydrophobicContact CZ2-CE 4.31Å; W105-M148 HydrophobicContact CZ2-CG 3.73Å; W105-M148 HydrophobicContact CZ3-CB 4.43Å; A140-M148 HydrophobicContact CB-CE 4.07Å; A140-M148 HydrophobicContact CB-SD 4.21Å; V143-M148 HydrophobicContact CG1-CB 4.48Å; N144-M148 PolarHBondContact O-N 3.28Å; R145-M148 PolarHBondContact O-N 2.95Å; T146-M148 VanDerWaalsContact C-N 3.27Å; T146-M148 PolarHBondContact O-N 2.7Å; M148-N152 WeakPolarHBondContact CG-ND2 2.97Å; M148-N152 VanDerWaalsContact O-CB 3.27Å; M148-N152 WeakPolarHBondContact O-CB 3.48Å; M148-N152 PolarHBondContact O-N 3.1Å; M148-N152 PolarHBondContact O-ND2 2.87Å
149T92.7Very high89.1Confident97 Ų9767.4 Ų67.460%0.59537%0.366SS*.Hα-helixtrans-65.4-48.8177-58.90000111.4R145 T146 L151 N152 S153R145-T149 PolarHBondContact O-N 3.31Å; R145-T149 PolarHBondContact O-OG1 3.21Å; T146-T149 PolarHBondContact O-N 2.66Å; T149-L151 PolarHBondContact O-N 2.83Å; T149-N152 PolarHBondContact O-N 3.27Å; T149-S153 PolarHBondContact O-N 3Å
150K93.1Very high89.5Confident40 Ų4063.7 Ų63.717%0.17435%0.351CS..Hα-helixtrans-67.4-34.3-175.1-63.8-78.6171.61630113.5Y64 E67 A68 T146 S153Y64-K150 HydrophobicContact CD1-CD 3.57Å; Y64-K150 HydrophobicContact CD2-CD 4.33Å; Y64-K150 HydrophobicContact CE1-CD 4.1Å; Y64-K150 VanDerWaalsContact CE1-NZ 3.28Å; Y64-K150 HydrophobicContact CG-CD 3.69Å; E67-K150 VanDerWaalsContact CD-CE 3.47Å; E67-K150 WeakPolarHBondContact OE1-CE 3.47Å; E67-K150 IonicContact OE1-NZ 2.88Å; E67-K150 PolarHBondContact OE1-NZ 3.08Å; E67-K150 WeakPolarHBondContact OE2-CE 3.43Å; E67-K150 IonicContact OE2-NZ 2.68Å; E67-K150 PolarHBondContact OE2-NZ 3.23Å; A68-K150 HydrophobicContact CB-CB 3.98Å; T146-K150 HydrophobicContact CG2-CG 4.24Å; T146-K150 WeakPolarHBondContact O-CB 3.42Å; T146-K150 WeakPolarHBondContact O-CG 3.25Å; T146-K150 PolarHBondContact O-N 2.97Å; K150-S153 PolarHBondContact O-OG 3.17Å; K150-S153 VanDerWaalsContact O-OG 3.12Å
151L92Very high90.1Very high33 Ų3363.5 Ų63.517%0.17335%0.349CS..Hα-helixtrans-88.2-9.3177.5-64.8-177.1000114.5A68 I72 W105 R109 I110 V147 T149A68-L151 HydrophobicContact CB-CD1 4.33Å; A68-L151 HydrophobicContact CB-CD2 3.54Å; A68-L151 HydrophobicContact CB-CG 3.66Å; I72-L151 HydrophobicContact CD1-CD1 4.17Å; W105-L151 HydrophobicContact CH2-CB 4.39Å; W105-L151 HydrophobicContact CZ3-CB 4.24Å; W105-L151 HydrophobicContact CZ3-CD1 4.15Å; R109-L151 HydrophobicContact CB-CD1 4.26Å; I110-L151 HydrophobicContact CG2-CD1 4.39Å; I110-L151 HydrophobicContact CG2-CD2 4.24Å; V147-L151 HydrophobicContact CG1-CD1 3.83Å; V147-L151 HydrophobicContact CG1-CG 4.31Å; V147-L151 WeakPolarHBondContact O-CB 3.37Å; V147-L151 PolarHBondContact O-N 3.06Å; T149-L151 PolarHBondContact O-N 2.83Å
152N88.6Confident90.6Very high62 Ų6256.8 Ų56.833%0.33231%0.312SS..Hα-helixtrans-105-6.3176.1-68.6-33.3000113.4R109 M148 T149 I154R109-N152 PolarHBondContact NE-OD1 3.28Å; R109-N152 PolarHBondContact NH2-OD1 3.11Å; M148-N152 WeakPolarHBondContact CG-ND2 2.97Å; M148-N152 VanDerWaalsContact O-CB 3.27Å; M148-N152 WeakPolarHBondContact O-CB 3.48Å; M148-N152 PolarHBondContact O-N 3.1Å; M148-N152 PolarHBondContact O-ND2 2.87Å; T149-N152 PolarHBondContact O-N 3.27Å; N152-I154 PolarHBondContact O-N 3.45Å
153S78.5Confident90.9Very high38 Ų3858.5 Ų58.527%0.26632%0.321SS..  trans-72.598.3179.455.50000111.7Y64 T149 K150Y64-S153 WeakPolarHBondContact CD2-OG 3.38Å; T149-S153 PolarHBondContact O-N 3Å; K150-S153 PolarHBondContact O-OG 3.17Å; K150-S153 VanDerWaalsContact O-OG 3.12Å
154I76.7Confident91.1Very high138 Ų13860.8 Ų60.871%0.70833%0.329SS*.  trans-78.4-43.9-179.6-57.7174.5000111.6R61 N152R61-I154 WeakPolarHBondContact CD-O 3.3Å; N152-I154 PolarHBondContact O-N 3.45Å
155V87.2Confident91.3Very high109 Ų10959.3 Ų59.366%0.66132%0.321SS*.SBendtrans-124.7118.8-175.6-172.90000109
156P90.8Very high91.3Very high14 Ų1450.7 Ų50.79%0.09129%0.292CS..  trans-61.6148.6170.4-24.836.6000112.2E57 I60 V161E57-P156 HydrophobicContact CB-CG 4.33Å; E57-P156 HydrophobicContact CG-CG 4.46Å; I60-P156 HydrophobicContact CB-CB 4.37Å; I60-P156 HydrophobicContact CB-CG 3.89Å; I60-P156 HydrophobicContact CD1-CB 3.95Å; I60-P156 HydrophobicContact CD1-CG 4.22Å; I60-P156 HydrophobicContact CG2-CB 3.94Å; I60-P156 HydrophobicContact CG2-CG 3.71Å; P156-V161 HydrophobicContact CB-CG2 4.14Å
157G90.4Very high91.4Very high36 Ų3652.8 Ų52.837%0.37130%0.297SS..  trans-64141.7170.300000111.3N159 L160 V161G157-N159 PolarHBondContact O-N 3.17Å; G157-L160 WeakPolarHBondContact O-CB 3.49Å; G157-L160 PolarHBondContact O-N 2.82Å; G157-V161 PolarHBondContact O-N 3.4Å; G157-V161 VanDerWaalsContact O-N 3.16Å
158A91.5Very high91.5Very high63 Ų6353 Ų5352%0.52130%0.298SS..Hα-helixtrans-59.8-35.2-178.100000112.4L160 V161 E162 V182A158-L160 VanDerWaalsContact C-N 3.3Å; A158-L160 PolarHBondContact O-N 3.49Å; A158-V161 WeakPolarHBondContact O-CB 3.49Å; A158-V161 PolarHBondContact O-N 3.45Å; A158-E162 PolarHBondContact O-N 2.87Å; A158-V182 HydrophobicContact CB-CG1 3.57Å; A158-V182 WeakPolarHBondContact O-CG1 3.44Å
159N91.9Very high91.6Very high55 Ų5550.3 Ų50.329%0.29429%0.286SS..Hα-helixtrans-54.9-42.9170.865.2-36.7000112.7G157 M163 V182 A186G157-N159 PolarHBondContact O-N 3.17Å; N159-M163 VanDerWaalsContact O-CG 3.28Å; N159-M163 WeakPolarHBondContact O-CG 3.44Å; N159-M163 PolarHBondContact O-N 3.18Å; N159-V182 WeakPolarHBondContact CA-O 3.38Å; N159-V182 VanDerWaalsContact CB-O 3.32Å; N159-V182 WeakPolarHBondContact CB-O 3.46Å; N159-A186 HydrophobicContact CB-CB 4.28Å
160L93.4Very high91.7Very high39 Ų3951.4 Ų51.420%0.20428%0.282CS..Hα-helixtrans-70.2-36.1178.7-173.864.7000111.8I60 Y64 G157 A158 M163 Y164I60-L160 HydrophobicContact CD1-CD2 4.32Å; I60-L160 HydrophobicContact CD1-CG 4.07Å; I60-L160 HydrophobicContact CG2-CD2 3.76Å; Y64-L160 WeakPolarHBondContact OH-CD2 3.47Å; G157-L160 WeakPolarHBondContact O-CB 3.49Å; G157-L160 PolarHBondContact O-N 2.82Å; A158-L160 VanDerWaalsContact C-N 3.3Å; A158-L160 PolarHBondContact O-N 3.49Å; L160-M163 PolarHBondContact O-N 2.93Å; L160-Y164 HydrophobicContact CD1-CD2 3.97Å; L160-Y164 HydrophobicContact CD1-CE2 3.82Å; L160-Y164 HydrophobicContact CG-CD2 4.13Å; L160-Y164 HydrophobicContact CG-CE2 4.14Å; L160-Y164 WeakPolarHBondContact O-CB 3.49Å; L160-Y164 WeakPolarHBondContact O-CD2 3.35Å; L160-Y164 PolarHBondContact O-N 3.25Å
161V95.2Very high91.9Very high9 Ų953.1 Ų53.16%0.05530%0.299CS..Hα-helixtrans-62.4-48.3174.51760000110.7R53 V56 E57 I60 P156 G157 A158 Y164 L165R53-V161 HydrophobicContact CB-CG1 4.15Å; R53-V161 HydrophobicContact CG-CG1 4.13Å; V56-V161 HydrophobicContact CB-CG1 4.23Å; V56-V161 HydrophobicContact CG1-CB 4.28Å; V56-V161 HydrophobicContact CG1-CG1 3.85Å; E57-V161 HydrophobicContact CG-CG2 3.82Å; I60-V161 HydrophobicContact CD1-CG2 3.98Å; P156-V161 HydrophobicContact CB-CG2 4.14Å; G157-V161 PolarHBondContact O-N 3.4Å; G157-V161 VanDerWaalsContact O-N 3.16Å; A158-V161 WeakPolarHBondContact O-CB 3.49Å; A158-V161 PolarHBondContact O-N 3.45Å; V161-Y164 PolarHBondContact O-N 3.14Å; V161-L165 HydrophobicContact CG1-CD1 4.36Å; V161-L165 WeakPolarHBondContact O-CG 3.39Å; V161-L165 PolarHBondContact O-N 3.25Å
162E94.2Very high92.1Very high5 Ų555.5 Ų55.52%0.02331%0.306CS..Hα-helixtrans-64.9-40177.3-69.7-65.5136.300112R53 A158 Y164 L165 V166 D179 V182 I183R53-E162 IonicContact CZ-OE1 2.81Å; R53-E162 VanDerWaalsContact CZ-OE1 3.29Å; R53-E162 IonicContact NE-OE1 3.98Å; R53-E162 PolarHBondContact NE-OE1 3.47Å; R53-E162 IonicContact NH2-OE1 2.88Å; R53-E162 PolarHBondContact NH2-OE1 3.43Å; R53-E162 IonicContact NH2-OE2 2.93Å; A158-E162 PolarHBondContact O-N 2.87Å; E162-Y164 PolarHBondContact O-N 2.89Å; E162-L165 PolarHBondContact O-N 3.35Å; E162-V166 WeakPolarHBondContact O-CG2 3.34Å; E162-V166 PolarHBondContact O-N 3.4Å; E162-D179 PolarHBondContact OE2-N 3.15Å; E162-V182 HydrophobicContact CB-CG1 4.48Å; E162-V182 HydrophobicContact CG-CB 4.1Å; E162-V182 HydrophobicContact CG-CG1 3.77Å; E162-I183 HydrophobicContact CB-CD1 4.35Å; E162-I183 HydrophobicContact CB-CG1 4Å
163M93.8Very high92.3Very high108 Ų10860.1 Ų60.153%0.53233%0.331SS..Hα-helixtrans-60.2-41.7172.7-73.8-179.576.200112.6N159 L160 V166 E167N159-M163 VanDerWaalsContact O-CG 3.28Å; N159-M163 WeakPolarHBondContact O-CG 3.44Å; N159-M163 PolarHBondContact O-N 3.18Å; L160-M163 PolarHBondContact O-N 2.93Å; M163-V166 PolarHBondContact O-N 3.21Å; M163-E167 PolarHBondContact O-N 3.31Å; M163-E167 VanDerWaalsContact O-N 3.1Å
164Y96.1Very high93.1Very high57 Ų5759.1 Ų59.122%0.22432%0.323CS..Hα-helixtrans-65.2-40.2174.9-96.2-117.6000112.1V56 I59 I60 D63 L160 V161 E162 E167 I168V56-Y164 VanDerWaalsContact CG1-CB 3.41Å; V56-Y164 HydrophobicContact CG1-CD1 4.31Å; V56-Y164 HydrophobicContact CG1-CG 4.13Å; I59-Y164 HydrophobicContact CG2-CE1 4.42Å; I60-Y164 HydrophobicContact CD1-CD1 4.31Å; I60-Y164 HydrophobicContact CD1-CD2 4.08Å; I60-Y164 HydrophobicContact CD1-CE2 4.45Å; I60-Y164 HydrophobicContact CD1-CG 4.02Å; I60-Y164 HydrophobicContact CG1-CD1 3.66Å; I60-Y164 HydrophobicContact CG1-CD2 3.95Å; I60-Y164 HydrophobicContact CG1-CE1 3.61Å; I60-Y164 HydrophobicContact CG1-CE2 3.91Å; I60-Y164 HydrophobicContact CG1-CG 3.83Å; D63-Y164 WeakPolarHBondContact OD2-CE1 3.32Å; D63-Y164 PolarHBondContact OD2-OH 3.27Å; L160-Y164 HydrophobicContact CD1-CD2 3.97Å; L160-Y164 HydrophobicContact CD1-CE2 3.82Å; L160-Y164 HydrophobicContact CG-CD2 4.13Å; L160-Y164 HydrophobicContact CG-CE2 4.14Å; L160-Y164 WeakPolarHBondContact O-CB 3.49Å; L160-Y164 WeakPolarHBondContact O-CD2 3.35Å; L160-Y164 PolarHBondContact O-N 3.25Å; V161-Y164 PolarHBondContact O-N 3.14Å; E162-Y164 PolarHBondContact O-N 2.89Å; Y164-E167 PolarHBondContact O-N 3.06Å; Y164-I168 WeakPolarHBondContact O-CB 3.33Å; Y164-I168 VanDerWaalsContact O-CG1 3.25Å; Y164-I168 WeakPolarHBondContact O-CG1 3.32Å; Y164-I168 PolarHBondContact O-N 3.36Å
165L96.1Very high93.7Very high0 Ų059.9 Ų59.90%033%0.329CS..Hα-helixtrans-62.2-44.1176.2-74.4171.1000111.8I40 L44 A52 R53 V56 V161 E162 E167 I168 S169 F176I40-L165 HydrophobicContact CG2-CD2 4.02Å; L44-L165 HydrophobicContact CD1-CD2 4.21Å; L44-L165 HydrophobicContact CD2-CD2 4.27Å; A52-L165 HydrophobicContact CB-CD2 3.91Å; R53-L165 HydrophobicContact CG-CD1 3.66Å; V56-L165 HydrophobicContact CB-CD2 4.47Å; V56-L165 HydrophobicContact CG2-CD2 3.5Å; V56-L165 HydrophobicContact CG2-CG 3.93Å; V161-L165 HydrophobicContact CG1-CD1 4.36Å; V161-L165 WeakPolarHBondContact O-CG 3.39Å; V161-L165 PolarHBondContact O-N 3.25Å; E162-L165 PolarHBondContact O-N 3.35Å; L165-E167 VanDerWaalsContact C-N 3.32Å; L165-E167 PolarHBondContact O-N 3.39Å; L165-I168 PolarHBondContact O-N 3.4Å; L165-S169 WeakPolarHBondContact O-CB 3.32Å; L165-S169 PolarHBondContact O-N 2.99Å; L165-S169 PolarHBondContact O-OG 3.03Å; L165-F176 HydrophobicContact CB-CD1 4.22Å; L165-F176 HydrophobicContact CB-CE1 3.6Å; L165-F176 HydrophobicContact CB-CZ 4.04Å; L165-F176 HydrophobicContact CD1-CE1 4.37Å; L165-F176 HydrophobicContact CD1-CZ 3.96Å
166V95Very high93.8Very high30 Ų3056 Ų5618%0.18230%0.303CS..Hα-helixtrans-61.5-39176.1168.70000111.9E162 M163 S169 K170 F176 P178E162-V166 WeakPolarHBondContact O-CG2 3.34Å; E162-V166 PolarHBondContact O-N 3.4Å; M163-V166 PolarHBondContact O-N 3.21Å; V166-S169 PolarHBondContact O-OG 3.39Å; V166-S169 VanDerWaalsContact O-OG 3.07Å; V166-K170 HydrophobicContact CG1-CD 4.48Å; V166-K170 VanDerWaalsContact CG1-CE 3.49Å; V166-K170 VanDerWaalsContact O-CG 3.25Å; V166-K170 WeakPolarHBondContact O-CG 3.43Å; V166-K170 PolarHBondContact O-N 3.43Å; V166-K170 VanDerWaalsContact O-N 3.12Å; V166-F176 HydrophobicContact CG2-CD1 4.27Å; V166-F176 HydrophobicContact CG2-CE1 4.18Å; V166-P178 HydrophobicContact CG2-CB 3.56Å; V166-P178 HydrophobicContact CG2-CG 3.79Å
167E95.6Very high93.7Very high110 Ų11060.9 Ų60.951%0.51433%0.333SS..Hα-helixtrans-76.9-33.7-179.8-156.959-158.200112.6M163 Y164 L165 K170 S171M163-E167 PolarHBondContact O-N 3.31Å; M163-E167 VanDerWaalsContact O-N 3.1Å; Y164-E167 PolarHBondContact O-N 3.06Å; L165-E167 VanDerWaalsContact C-N 3.32Å; L165-E167 PolarHBondContact O-N 3.39Å; E167-K170 IonicContact OE2-NZ 3.87Å; E167-K170 PolarHBondContact OE2-NZ 3.34Å; E167-S171 WeakPolarHBondContact O-CB 3.49Å; E167-S171 PolarHBondContact O-N 2.81Å; E167-S171 VanDerWaalsContact O-N 3.12Å; E167-S171 PolarHBondContact O-OG 3.07Å
168I96Very high93.4Very high5 Ų560.8 Ų60.83%0.02633%0.326CS..Hα-helixtrans-67-43170.3-66.8166.3000110.3R37 I40 A41 V56 Y164 L165 K170 S171 Y172R37-I168 HydrophobicContact CG-CD1 4.02Å; R37-I168 HydrophobicContact CG-CG1 4.21Å; I40-I168 HydrophobicContact CB-CG2 4.3Å; I40-I168 HydrophobicContact CD1-CD1 4.07Å; I40-I168 HydrophobicContact CG2-CD1 4.03Å; I40-I168 HydrophobicContact CG2-CG2 3.86Å; A41-I168 HydrophobicContact CB-CG2 4.29Å; V56-I168 HydrophobicContact CG2-CD1 3.91Å; Y164-I168 WeakPolarHBondContact O-CB 3.33Å; Y164-I168 VanDerWaalsContact O-CG1 3.25Å; Y164-I168 WeakPolarHBondContact O-CG1 3.32Å; Y164-I168 PolarHBondContact O-N 3.36Å; L165-I168 PolarHBondContact O-N 3.4Å; I168-K170 PolarHBondContact O-N 2.98Å; I168-S171 WeakPolarHBondContact CA-OG 3.37Å; I168-S171 PolarHBondContact O-N 3.23Å; I168-S171 PolarHBondContact O-OG 3.49Å; I168-S171 VanDerWaalsContact O-OG 3.14Å; I168-Y172 HydrophobicContact CG2-CD2 3.93Å; I168-Y172 HydrophobicContact CG2-CE2 4.21Å; I168-Y172 WeakPolarHBondContact O-CD2 3.27Å; I168-Y172 PolarHBondContact O-N 2.88Å
169S95.2Very high93Very high8 Ų861.5 Ų61.56%0.05632%0.321CS..Hα-helixtrans-64.6-40.7-179790000111.8L165 V166 D173 V174L165-S169 WeakPolarHBondContact O-CB 3.32Å; L165-S169 PolarHBondContact O-N 2.99Å; L165-S169 PolarHBondContact O-OG 3.03Å; V166-S169 PolarHBondContact O-OG 3.39Å; V166-S169 VanDerWaalsContact O-OG 3.07Å; S169-D173 PolarHBondContact O-N 3.31Å; S169-V174 WeakPolarHBondContact CB-O 3.4Å; S169-V174 PolarHBondContact O-N 3.31Å
170K95.4Very high92.1Very high120 Ų12063.1 Ų63.152%0.52233%0.333SS..Hα-helixtrans-61.2-44.2171.9-71.5171.6-161.8160.10113.1V166 E167 I168 Y172 D173V166-K170 HydrophobicContact CG1-CD 4.48Å; V166-K170 VanDerWaalsContact CG1-CE 3.49Å; V166-K170 VanDerWaalsContact O-CG 3.25Å; V166-K170 WeakPolarHBondContact O-CG 3.43Å; V166-K170 PolarHBondContact O-N 3.43Å; V166-K170 VanDerWaalsContact O-N 3.12Å; E167-K170 IonicContact OE2-NZ 3.87Å; E167-K170 PolarHBondContact OE2-NZ 3.34Å; I168-K170 PolarHBondContact O-N 2.98Å; K170-Y172 PolarHBondContact O-N 3.19Å; K170-D173 PolarHBondContact O-N 3.48Å
171S96.1Very high91.2Very high76 Ų7668.9 Ų68.953%0.53136%0.359SS..Hα-helixtrans-74.8-9.7-174.851.60000114.7E167 I168E167-S171 WeakPolarHBondContact O-CB 3.49Å; E167-S171 PolarHBondContact O-N 2.81Å; E167-S171 VanDerWaalsContact O-N 3.12Å; E167-S171 PolarHBondContact O-OG 3.07Å; I168-S171 WeakPolarHBondContact CA-OG 3.37Å; I168-S171 PolarHBondContact O-N 3.23Å; I168-S171 PolarHBondContact O-OG 3.49Å; I168-S171 VanDerWaalsContact O-OG 3.14Å
172Y95.6Very high90.2Very high83 Ų8370.4 Ų70.433%0.32537%0.368SS..THydrogen-bonded Turntrans-123.217.1174.9-66.3-74.2000113.6R37 R38 A41 I168 K170 V174R37-Y172 HydrophobicContact CB-CE2 4.2Å; R38-Y172 HydrophobicContact CG-CE1 3.62Å; R38-Y172 WeakPolarHBondContact CG-OH 3.48Å; A41-Y172 HydrophobicContact CB-CD1 4.4Å; A41-Y172 HydrophobicContact CB-CD2 3.55Å; A41-Y172 HydrophobicContact CB-CE2 4.38Å; A41-Y172 HydrophobicContact CB-CG 3.57Å; I168-Y172 HydrophobicContact CG2-CD2 3.93Å; I168-Y172 HydrophobicContact CG2-CE2 4.21Å; I168-Y172 WeakPolarHBondContact O-CD2 3.27Å; I168-Y172 PolarHBondContact O-N 2.88Å; K170-Y172 PolarHBondContact O-N 3.19Å; Y172-V174 VanDerWaalsContact C-N 3.26Å; Y172-V174 WeakPolarHBondContact O-CG2 3.3Å; Y172-V174 PolarHBondContact O-N 3.1Å
173D94.6Very high89Confident159 Ų15972.9 Ų72.985%0.8538%0.381SS*.THydrogen-bonded Turntrans51.238.8179.6-61.3-59.7000114.3S169 K170S169-D173 PolarHBondContact O-N 3.31Å; K170-D173 PolarHBondContact O-N 3.48Å
174V93.8Very high87.4Confident17 Ų1771.2 Ų71.210%0.10338%0.379CS..  trans-97.2126.9178.9-172.50000110.2A41 L44 K45 S169 Y172 F176A41-V174 HydrophobicContact CB-CG2 4.15Å; L44-V174 HydrophobicContact CB-CG1 3.81Å; K45-V174 HydrophobicContact CD-CG2 4.33Å; K45-V174 HydrophobicContact CG-CG1 3.87Å; K45-V174 HydrophobicContact CG-CG2 3.82Å; S169-V174 WeakPolarHBondContact CB-O 3.4Å; S169-V174 PolarHBondContact O-N 3.31Å; Y172-V174 VanDerWaalsContact C-N 3.26Å; Y172-V174 WeakPolarHBondContact O-CG2 3.3Å; Y172-V174 PolarHBondContact O-N 3.1Å; V174-F176 PolarHBondContact O-N 2.92Å; V174-F176 VanDerWaalsContact O-N 3.17Å
175N90.6Very high85.5Confident155 Ų15573.6 Ų73.683%0.82940%0.395SS*.  trans-70.8109.8172.1-172.322.1000110.1
176F89.6Confident83.4Confident27 Ų2775.2 Ų75.212%0.11841%0.409CS..  trans-131.4128.3177.6171.9-113.1000109.1L44 V49 L165 V166 V174 P178L44-F176 HydrophobicContact CD1-CG 4.49Å; L44-F176 HydrophobicContact CD2-CD2 3.72Å; L44-F176 HydrophobicContact CD2-CE2 4.02Å; L44-F176 HydrophobicContact CD2-CG 4.3Å; V49-F176 HydrophobicContact CG1-CE2 3.81Å; V49-F176 HydrophobicContact CG1-CZ 4.4Å; V49-F176 HydrophobicContact CG2-CE2 4.27Å; L165-F176 HydrophobicContact CB-CD1 4.22Å; L165-F176 HydrophobicContact CB-CE1 3.6Å; L165-F176 HydrophobicContact CB-CZ 4.04Å; L165-F176 HydrophobicContact CD1-CE1 4.37Å; L165-F176 HydrophobicContact CD1-CZ 3.96Å; V166-F176 HydrophobicContact CG2-CD1 4.27Å; V166-F176 HydrophobicContact CG2-CE1 4.18Å; V174-F176 PolarHBondContact O-N 2.92Å; V174-F176 VanDerWaalsContact O-N 3.17Å; F176-P178 HydrophobicContact CE1-CB 3.92Å; F176-P178 WeakPolarHBondContact O-CD 3.48Å
177T88.5Confident81.2Confident116 Ų11680.2 Ų80.271%0.71244%0.435SS*.  trans-96.4112.7173.4-54.20000108.1
178P83.4Confident79Confident35 Ų3580.7 Ų80.723%0.22744%0.44CS..  trans-75.3154.5179.530.2-34.8000112.5V166 F176 T180 I183V166-P178 HydrophobicContact CG2-CB 3.56Å; V166-P178 HydrophobicContact CG2-CG 3.79Å; F176-P178 HydrophobicContact CE1-CB 3.92Å; F176-P178 WeakPolarHBondContact O-CD 3.48Å; P178-T180 PolarHBondContact O-N 3.03Å; P178-I183 HydrophobicContact CB-CD1 3.67Å; P178-I183 HydrophobicContact CG-CD1 4.06Å
179D82.3Confident76.8Confident77 Ų7788.6 Ų88.641%0.41248%0.479SS..  trans-75.294.4174.3-77.1-24.6000110.1R53 E162 H181 V182 I183R53-D179 IonicContact CZ-OD2 3.07Å; R53-D179 IonicContact NH1-OD2 2.8Å; R53-D179 IonicContact NH2-OD2 2.59Å; R53-D179 PolarHBondContact NH2-OD2 3.17Å; E162-D179 PolarHBondContact OE2-N 3.15Å; D179-H181 VanDerWaalsContact C-N 3.25Å; D179-H181 PolarHBondContact O-N 3.09Å; D179-V182 HydrophobicContact CB-CB 4.41Å; D179-V182 HydrophobicContact CB-CG2 4.07Å; D179-V182 WeakPolarHBondContact O-CB 3.44Å; D179-V182 PolarHBondContact O-N 3.1Å; D179-I183 PolarHBondContact O-N 3.36Å
180T74.3Confident74.8Confident90 Ų9095.5 Ų95.555%0.55251%0.514SS*.Hα-helixtrans-55.7-36-173.949.70000113.7P178 V182 I183 C184P178-T180 PolarHBondContact O-N 3.03Å; T180-V182 VanDerWaalsContact C-N 3.27Å; T180-V182 PolarHBondContact O-N 3.26Å; T180-I183 PolarHBondContact O-N 3.03Å; T180-C184 PolarHBondContact O-N 3.38Å; T180-C184 PolarHBondContact O-SG 3.18Å; T180-C184 VanDerWaalsContact O-SG 3.35Å
181H73Confident72.3Confident160 Ų16091.5 Ų91.574%0.74151%0.507SS*.Hα-helixtrans-54.9-41.8174.1-72.1-72.8000112.4D179 I183D179-H181 VanDerWaalsContact C-N 3.25Å; D179-H181 PolarHBondContact O-N 3.09Å; H181-I183 VanDerWaalsContact C-N 3.35Å
182V74.5Confident69.9Low41 Ų4195.7 Ų95.725%0.24852%0.524CS..Hα-helixtrans-74.6-26.4-177.6179.30000112A158 N159 E162 D179 T180A158-V182 HydrophobicContact CB-CG1 3.57Å; A158-V182 WeakPolarHBondContact O-CG1 3.44Å; N159-V182 WeakPolarHBondContact CA-O 3.38Å; N159-V182 VanDerWaalsContact CB-O 3.32Å; N159-V182 WeakPolarHBondContact CB-O 3.46Å; E162-V182 HydrophobicContact CB-CG1 4.48Å; E162-V182 HydrophobicContact CG-CB 4.1Å; E162-V182 HydrophobicContact CG-CG1 3.77Å; D179-V182 HydrophobicContact CB-CB 4.41Å; D179-V182 HydrophobicContact CB-CG2 4.07Å; D179-V182 WeakPolarHBondContact O-CB 3.44Å; D179-V182 PolarHBondContact O-N 3.1Å; T180-V182 VanDerWaalsContact C-N 3.27Å; T180-V182 PolarHBondContact O-N 3.26Å
183I70Confident67.7Low57 Ų5799.1 Ų99.129%0.29255%0.548SS..Hα-helixtrans-79.7-39.9176.5-63.4179.6000111.1E162 P178 D179 T180 H181 D185 A186E162-I183 HydrophobicContact CB-CD1 4.35Å; E162-I183 HydrophobicContact CB-CG1 4Å; P178-I183 HydrophobicContact CB-CD1 3.67Å; P178-I183 HydrophobicContact CG-CD1 4.06Å; D179-I183 PolarHBondContact O-N 3.36Å; T180-I183 PolarHBondContact O-N 3.03Å; H181-I183 VanDerWaalsContact C-N 3.35Å; I183-D185 VanDerWaalsContact C-N 3.35Å; I183-D185 PolarHBondContact O-N 3.18Å; I183-A186 WeakPolarHBondContact O-CB 3.4Å; I183-A186 PolarHBondContact O-N 3.4Å
184C60.1Low65.8Low72 Ų7299.1 Ų99.149%0.48655%0.547SS..Hα-helixtrans-65.4-31.8-174.2-74.60000114.3T180 A186 N187 L188T180-C184 PolarHBondContact O-N 3.38Å; T180-C184 PolarHBondContact O-SG 3.18Å; T180-C184 VanDerWaalsContact O-SG 3.35Å; C184-A186 PolarHBondContact O-N 2.88Å; C184-A186 VanDerWaalsContact O-N 3.09Å; C184-N187 PolarHBondContact O-N 3.1Å; C184-L188 PolarHBondContact O-N 3.22Å
185D56.4Low64.1Low107 Ų107104.8 Ų104.857%0.57258%0.575SS**Hα-helixtrans-57-26.4178.1-72.4-19.6000113I183I183-D185 VanDerWaalsContact C-N 3.35Å; I183-D185 PolarHBondContact O-N 3.18Å
186A52.6Low62.5Low35 Ų35104.9 Ų104.929%0.28957%0.57SS.*Hα-helixtrans-68.6-31.5177.800000113.8N159 I183 C184N159-A186 HydrophobicContact CB-CB 4.28Å; I183-A186 WeakPolarHBondContact O-CB 3.4Å; I183-A186 PolarHBondContact O-N 3.4Å; C184-A186 PolarHBondContact O-N 2.88Å; C184-A186 VanDerWaalsContact O-N 3.09Å
187N47.5Very low60.6Low135 Ų135112.2 Ų112.272%0.72260%0.603SS**Hα-helixtrans-85-30.5179.1-98.415.4000112.4C184 M189 L190 G191C184-N187 PolarHBondContact O-N 3.1Å; N187-M189 VanDerWaalsContact C-N 3.31Å; N187-M189 PolarHBondContact O-N 3.14Å; N187-L190 PolarHBondContact O-N 3.02Å; N187-G191 PolarHBondContact O-N 3.35Å
188L50.1Low59.3Low120 Ų120114 Ų11463%0.62860%0.6SS**Hα-helixtrans-68.9-28.5-177.6-75.1161000112.7C184 L190 G191C184-L188 PolarHBondContact O-N 3.22Å; L188-L190 PolarHBondContact O-N 2.9Å; L188-G191 PolarHBondContact O-N 3.04Å
189M49.3Very low57.4Low170 Ų170117.7 Ų117.784%0.83763%0.625SS**THydrogen-bonded Turntrans-73.4-6.1175.2-68.9-81.599.800114.8N187N187-M189 VanDerWaalsContact C-N 3.31Å; N187-M189 PolarHBondContact O-N 3.14Å
190L52.4Low55.7Low153 Ų153120.6 Ų120.680%0.80164%0.64SS**THydrogen-bonded Turntrans-119-1.2175.7-76.8169.6000113.4N187 L188N187-L190 PolarHBondContact O-N 3.02Å; L188-L190 PolarHBondContact O-N 2.9Å
191G43.1Very low54.3Low36 Ų36122.2 Ų122.237%0.37166%0.655SS.*  trans-79.9-24.8-16800000116.7N187 L188 N193 L194N187-G191 PolarHBondContact O-N 3.35Å; L188-G191 PolarHBondContact O-N 3.04Å; G191-N193 PolarHBondContact O-N 3.31Å; G191-L194 PolarHBondContact O-N 3.4Å
192D46.1Very low53.1Low164 Ų164119.3 Ų119.388%0.87765%0.653SS**THydrogen-bonded Turntrans-72.712.1-166.6-90.44.3000116.2
193N49.8Very low51.8Low155 Ų155124.8 Ų124.883%0.82969%0.686SS**THydrogen-bonded Turntrans-125.815.3173.9-74.7-62000113.6G191 I195G191-N193 PolarHBondContact O-N 3.31Å; N193-I195 PolarHBondContact O-N 2.85Å
194L54.3Low50.4Low159 Ų159125.3 Ų125.383%0.83271%0.706SS**  trans-82.9111.3-177.6-148.973.8000111.9G191 E196G191-L194 PolarHBondContact O-N 3.4Å; L194-E196 PolarHBondContact O-N 3.35Å
195I58.1Low49.6Very low137 Ų137130.2 Ų130.270%0.70373%0.726SS**  trans-70.9115.5174.7-58.2173.8000109.3N193 F197N193-I195 PolarHBondContact O-N 2.85Å; I195-F197 HydrophobicContact CG2-CD2 3.75Å; I195-F197 HydrophobicContact CG2-CE2 3.82Å; I195-F197 PolarHBondContact O-N 3.46Å
196E56.2Low49.6Very low156 Ų156131 Ų13173%0.72974%0.737SS**  trans-74108.2174.8-172-174167.100110.8L194L194-E196 PolarHBondContact O-N 3.35Å
197F51.1Low49.9Very low182 Ų182134.5 Ų134.580%0.79876%0.76SS**  trans-105.2103.6168.4-99.8-83.5000110.8I195I195-F197 HydrophobicContact CG2-CD2 3.75Å; I195-F197 HydrophobicContact CG2-CE2 3.82Å; I195-F197 PolarHBondContact O-N 3.46Å
198K59.8Low50.4Low152 Ų152136 Ų13666%0.66176%0.764SS**  trans-73.5127.1166.8-96.6177.9178.81650110.9D200K198-D200 PolarHBondContact O-N 3.04Å
199P45.1Very low51.1Low113 Ų113135.9 Ų135.973%0.73477%0.771SS**  trans-92.758.1178.637.6-35.4000112.4S201P199-S201 VanDerWaalsContact C-N 3.35Å; P199-S201 PolarHBondContact O-N 3.3Å
200D45Very low51.2Low139 Ų139133.7 Ų133.774%0.74377%0.772SS**  trans-75.788.9173.7-79.5-26.9000110.7K198 S202K198-D200 PolarHBondContact O-N 3.04Å; D200-S202 PolarHBondContact O-N 3.44Å
201S44.7Very low51.6Low124 Ų124133.7 Ų133.787%0.86777%0.773SS**  trans-7580.9-179.5-63.90000111.5P199P199-S201 VanDerWaalsContact C-N 3.35Å; P199-S201 PolarHBondContact O-N 3.3Å
202S49.4Very low51.8Low99 Ų99142 Ų14269%0.69280%0.799SS**  trans-142.4101.3163.962.40000113.7D200D200-S202 PolarHBondContact O-N 3.44Å
203V46.7Very low51.6Low155 Ų155137.3 Ų137.394%0.93979%0.789SS**SBendtrans49.989.7144.3-159.60000117.5
204G40.8Very low51.4Low69 Ų69134.8 Ų134.871%0.71179%0.79SS**  trans163.1126.3160.700000114.1P206G204-P206 WeakPolarHBondContact O-CD 3.27Å
205L44Very low50.7Low175 Ų175133.6 Ų133.692%0.91679%0.793SS**PPolyproline II helixtrans-67125.4170-83.4130.6000110.5S207L205-S207 PolarHBondContact O-N 3.09Å
206P56.2Low50Low122 Ų122130.6 Ų130.679%0.79280%0.796SS**PPolyproline II helixtrans-71.7118.415729.1-30.2000108.9G204G204-P206 WeakPolarHBondContact O-CD 3.27Å
207S57Low50.2Low110 Ų110132 Ų13277%0.76981%0.805SS**PPolyproline II helixtrans-66.3134176.8-1730000111L205L205-S207 PolarHBondContact O-N 3.09Å
208M59Low50.4Low167 Ų167128.8 Ų128.882%0.82380%0.803SS**PPolyproline II helixtrans-70.1145.2164.8-79-166.284.300110.3S210M208-S210 PolarHBondContact O-N 2.59Å
209P63.8Low49.8Very low117 Ų117133.4 Ų133.476%0.7682%0.816SS**PPolyproline II helixtrans-70.5122179.827.9-34000111.9N211P209-N211 PolarHBondContact O-N 3.35Å
210S52.5Low49.6Very low123 Ų123131.9 Ų131.986%0.8681%0.813SS**SBendtrans-74.754.4-178.6-50.90000114.2M208M208-S210 PolarHBondContact O-N 2.59Å
211N60.2Low49.5Very low153 Ų153131.3 Ų131.382%0.81881%0.814SS**  trans-158.369.1173-159.646.9000115P209P209-N211 PolarHBondContact O-N 3.35Å
212F46.8Very low49.3Very low211 Ų211131.7 Ų131.793%0.92581%0.812SS**  trans-138123.7159.6-157.8-102000111.2
213G42.4Very low49Very low65 Ų65131.7 Ų131.767%0.6781%0.812SS**  trans-90.6158.5-163.300000115.8
214A45.3Very low49Very low102 Ų102133 Ų13384%0.84381%0.81SS**  trans-59.1146-176.400000117.4
215C40.8Very low49.1Very low134 Ų134134.4 Ų134.491%0.90581%0.809SS**  trans175.3115135.1-93.30000105.5
216G42.7Very low49.2Very low74 Ų74132.6 Ų132.676%0.76380%0.8SS**  cis86.4121.848.300000108.9
217M61.2Low48.9Very low185 Ų185136 Ų13691%0.91180%0.802SS**  cis-154.8169.93.9-97.2-68.5-138.700109.3
218P55.3Low48.4Very low116 Ų116135.5 Ų135.575%0.75381%0.805SS**  trans-99.6175.1-177.339.6-34.6000114.4
219W45.8Very low48.5Very low249 Ų249133.2 Ų133.294%0.94380%0.803SS**  trans-134.6165.6158.781-79.3000111.9
220A42.8Very low47.9Very low80 Ų80138.4 Ų138.466%0.66181%0.809SS**  trans-114.8173.9-147.800000116.8
221T42.1Very low48.3Very low127 Ų127138.5 Ų138.578%0.77981%0.807SS**  trans-66.2150.9-178.348.70000115.7
222T41.5Very low47.7Very low133 Ų133136.9 Ų136.982%0.81680%0.802SS**  169.2152.7112.7-62.40000111.8
223S42.7Very low47.5Very low99 Ų99134.9 Ų134.969%0.69280%0.796SS**  trans-50.4156.1-176.6-44.50000118.6
224M46Very low47.8Very low181 Ų181142 Ų14289%0.89281%0.809SS**  172.9143.2117.4-87.3-62.2168.800113.2
225S44Very low47.7Very low100 Ų100144.1 Ų144.170%0.69981%0.805SS**  trans45.8126.6154.6-113.70000124.5
226D45.2Very low47.9Very low136 Ų136145.4 Ų145.473%0.72780%0.802SS**  trans59.3126.5136.7-70-76.4000125.4
227K50.4Low47.8Very low193 Ų193149.4 Ų149.484%0.83980%0.801SS**  trans53.2111.9152.8-71.8-176.2176.31780119.7
228A45.3Very low46.7Very low100 Ų100146.5 Ų146.583%0.82679%0.794SS**PPolyproline II helixtrans-93.6128159.800000112
229P61.6Low46Very low120 Ų120150.9 Ų150.978%0.77980%0.801SS**PPolyproline II helixtrans-98.4149.7162.822.2-6.5000112.1
230Y50.9Low45.9Very low226 Ų226145.6 Ų145.689%0.88680%0.796SS**PPolyproline II helixtrans-82.5149.4174.9-66.5-92.3000111.7
231P60.6Low46Very low125 Ų125147.3 Ų147.381%0.81280%0.801SS**PPolyproline II helixtrans-89.3148.2-177.934.8-34.3000113.6
232T48.7Very low46.1Very low118 Ų118147.5 Ų147.572%0.72481%0.807SS**  trans-112.2136.1175.6-47.80000110.6
233E42.6Very low46.2Very low169 Ų169145 Ų14579%0.7981%0.808SS**  trans26.5126.1157.4-59.8177.5173.600120.9
234F48.7Very low46.6Very low216 Ų216147.8 Ų147.895%0.94781%0.814SS**  trans-116.8127153.7-93.6-83.1000110.7
235I42.2Very low47.3Very low146 Ų146145.1 Ų145.175%0.74981%0.81SS**  trans-92.7133.4172-57.1162.6000107.7
236N45.9Very low47.8Very low161 Ų161145.9 Ų145.986%0.86181%0.812SS**  trans-157.7154.6143.9-139.3-8.6000113.6
237E40.8Very low47.9Very low158 Ų158145.9 Ų145.974%0.73881%0.812SS**  trans-104166.5-164.3-57-176.2125.300115.2
238T37.5Very low47.7Very low124 Ų124143.9 Ų143.976%0.76181%0.806SS**  trans45.1115.7150.652.60000122
239K41.7Very low47.7Very low208 Ų208144.3 Ų144.390%0.90480%0.798SS**  -169.9153.9102.1-107.8171.5178.9172.20114.6
240T43.9Very low47.5Very low137 Ų137144.7 Ų144.784%0.8480%0.798SS**  trans-95.6171.5-172.522.30000113.7
241P44.8Very low47.3Very low117 Ų117139.2 Ų139.276%0.7679%0.79SS**  trans-109.4179.8-146.442.9-39.5000116
242S43.3Very low46.4Very low130 Ų130138.4 Ų138.491%0.90979%0.787SS**  trans-164.4145155.8-79.80000111.8
243G43.7Very low46.1Very low80 Ų80139.6 Ų139.683%0.82579%0.789SS**  trans146.787.9167.400000116.8
244I51.9Low45.7Very low159 Ų159137.3 Ų137.382%0.81579%0.787SS**  trans-131.4138.3164.8-43.1174.1000105.6
245P59.8Low45.2Very low125 Ų125133.6 Ų133.681%0.81278%0.782SS**  -149.4167.1109.634.1-14.8000115.8
246P54.2Low45Very low115 Ų115132.1 Ų132.175%0.74778%0.781SS**  trans-112.3175-178.842.2-33.6000114.8
247N48.7Very low44.9Very low136 Ų136131.4 Ų131.473%0.72778%0.782SS**  trans-165.2124.9156-125.541.2000108.8
248E44.9Very low44.9Very low151 Ų151131.2 Ų131.271%0.70679%0.786SS**  82.8148.590.7-79.9-150.7108.600117.7
249T45.3Very low45.2Very low109 Ų109134.5 Ų134.567%0.66979%0.793SS**  cis-174.6157.2-28.4-109.60000112
250V56.8Low45.5Very low128 Ų128131.9 Ų131.978%0.77679%0.789SS**  trans86.9135.4169.3-156.70000120.6
251P46.8Very low45.7Very low111 Ų111131.9 Ų131.972%0.72179%0.789SS**  trans-109.6175.7173.142.3-34.6000115.2
252S43.2Very low46Very low108 Ų108130.9 Ų130.976%0.75579%0.79SS**  trans-170.4137.8151.2-85.30000116.1
253N40.8Very low46.9Very low143 Ų143133.1 Ų133.177%0.76579%0.788SS**  trans52.8117.3145.7-58.8-11.4000122.1
254T34.8Very low48.3Very low122 Ų122134.5 Ų134.575%0.74878%0.783SS**  78.7116.278-44.90000115
255T38.9Very low49.1Very low137 Ų137132.6 Ų132.684%0.8478%0.781SS**  trans-170.1143.2135.1-75.20000110.7
256T36.6Very low49.3Very low116 Ų116132.5 Ų132.571%0.71278%0.78SS**  trans-89.7148.2-178.344.80000114.3
257T45.4Very low49.5Very low145 Ų145138 Ų13889%0.8979%0.788SS**  trans-144.2137.1149.241.70000110.3
258N40.1Very low49.5Very low154 Ų154138.5 Ų138.582%0.82479%0.79SS**  trans-88.4157.5178.1-50.1-53.9000110.9
259E44.6Very low49.3Very low194 Ų194138.6 Ų138.691%0.90779%0.792SS**  trans-163.1158.5137.9-113.8165.5-158.300111.6
260D46.3Very low49.3Very low152 Ų152139 Ų13981%0.81380%0.8SS**  trans-69.6153.7-165.2-71.7-69.1000115.7
261T49.9Very low48.7Very low137 Ų137139.1 Ų139.184%0.8480%0.8SS**  178.3135.9112.7-67.20000111.5
262A50.4Low48.3Very low96 Ų96139.6 Ų139.679%0.79381%0.805SS**  trans-39.5134.7-172.400000119.6
263M62.4Low48.2Very low177 Ų177142.2 Ų142.287%0.87281%0.811SS**  trans-106.7147.3151.9-85.2177.256.200110.4
264P71.8Confident48.2Very low109 Ų109138.2 Ų138.271%0.70880%0.804SS**PPolyproline II helixtrans-73.5156.9169.432.3-34.5000111.8
265P69.5Low48.5Very low119 Ų119141.3 Ų141.377%0.77381%0.809SS**PPolyproline II helixtrans-75.1152.7-173.230.7-36.1000113.4
266P63.2Low48.5Very low123 Ų123142.2 Ų142.280%0.79981%0.809SS**PPolyproline II helixtrans-77141172.432.9-33.5000110.9
267Y58.8Low48.7Very low232 Ų232141 Ų14191%0.9181%0.811SS**PPolyproline II helixtrans-86.9120.5165.348.7-89.1000109
268D49Very low48.6Very low145 Ų145140.3 Ų140.378%0.77581%0.806SS**  trans-113142.8178.5-1605.4000111.7
269M40.4Very low49.3Very low153 Ų153139.3 Ų139.375%0.75481%0.806SS**  trans14.1120.8165.3-73.1-87.5-87.600120.3
270S46.3Very low49Very low117 Ų117135.6 Ų135.682%0.81880%0.798SS**  -154126.4118.743.20000112.5
271V43.3Very low48.9Very low131 Ų131138.3 Ų138.379%0.79480%0.803SS**  trans-79120.2169.3174.20000108.1
272C38.6Very low48.8Very low122 Ų122138.8 Ų138.882%0.82480%0.8SS**  trans-129118164.4-170.70000109.8
273N40.5Very low49Very low162 Ų162144.2 Ų144.287%0.86680%0.802SS**  trans-104.4108.6177179.245.1000108
274G40.7Very low48.1Very low60 Ų60141.9 Ų141.962%0.61980%0.8SS**  trans172.290.1-176.100000115.5
275Q42.2Very low47.1Very low186 Ų186139.5 Ų139.587%0.86980%0.795SS**  trans27139.2143.4-64.5173.9-19.100121.7
276N39.3Very low46.4Very low157 Ų157139.8 Ų139.884%0.8480%0.797SS**  trans89.5101.1164.4-68.9-17.5000119.7
277A40Very low45.4Very low90 Ų90139.6 Ų139.674%0.74480%0.798SS**  58125.412700000120.7
278V44Very low44.8Very low131 Ų131138 Ų13879%0.79480%0.797SS**  -171.5121.8116.2141.30000111.9
279V53.5Low45Very low133 Ų133139 Ų13981%0.80680%0.801SS**  trans47.2140.2160.1-50.30000123.8
280P39.7Very low45.6Very low116 Ų116137.6 Ų137.675%0.75380%0.803SS**  trans-104.3157.9176.740-33.4000114.7
281F42.8Very low45.5Very low209 Ų209137.3 Ų137.392%0.91780%0.802SS**  trans-90.7129.9158.7-97.9-93.5000109.9
282N48.6Very low45.9Very low146 Ų146140.7 Ų140.778%0.78181%0.809SS**  trans-136.7129.1179-168.731.8000110.9
283Y53.8Low46Very low211 Ų211141.7 Ų141.783%0.82781%0.806SS**  trans-96.9134.3172-87.7-91.5000109.7
284P45.4Very low46.1Very low127 Ų127139.1 Ų139.183%0.82580%0.8SS**  trans-84.2124.3-175.831.9-33.2000112.6
285G49.3Very low46.3Very low59 Ų59145.9 Ų145.961%0.60881%0.813SS**  trans-131.5138.316300000109.5S287G285-S287 PolarHBondContact O-N 2.8Å
286P55.4Low46.5Very low125 Ų125142 Ų14281%0.81280%0.802SS**  trans-81.4116.4-16930.7-33.9000112.6
287S42.7Very low46.5Very low119 Ų119140.2 Ų140.283%0.83280%0.797SS**  trans-89.2123.1170.5-59.90000111.2G285G285-S287 PolarHBondContact O-N 2.8Å
288F44.7Very low47.1Very low199 Ų199143.5 Ų143.587%0.87380%0.802SS**  trans-114.6114.1158.9-81.9-83.2000109
289L54.5Low47.3Very low166 Ų166142.5 Ų142.587%0.86980%0.798SS**  trans178.2128.7144.9-98.6166.8000108.3
290P52.1Low47Very low123 Ų123142.7 Ų142.780%0.79980%0.802SS**  trans-87.5143.3179.733.8-32.7000112.2
291S44.1Very low47.3Very low112 Ų112140.4 Ų140.478%0.78380%0.8SS**  trans-78.1147.1167.6-55.10000111.1
292Q52Low47.5Very low201 Ų201136.9 Ų136.994%0.93980%0.801SS**  trans-123.7134.4153.8-90.9-162.7-35.600110.5
293D41.9Very low47.2Very low144 Ų144139.3 Ų139.377%0.7781%0.805SS**  trans-84.7154-173.7-83.5-63.3000113.7
294S42.2Very low47Very low107 Ų107133.7 Ų133.775%0.74880%0.802SS**  trans55.7105.5142.5-610000119.7
295F45Very low47.2Very low202 Ų202135.8 Ų135.889%0.88680%0.803SS**  -145.8140.6122-141.3-98.4000114.5
296T45.2Very low47.6Very low104 Ų104141.4 Ų141.464%0.63882%0.815SS**  trans-61.3136.5-173.717.40000117.3
297T39.3Very low47.8Very low121 Ų121140.6 Ų140.674%0.74281%0.81SS**  trans11.9133.2132.8-44.10000120
298L52.2Low48.2Very low159 Ų159141 Ų14183%0.83281%0.81SS**  trans170.8172.1131.1-88.7168.5000110
299P49Very low48.8Very low110 Ų110140.8 Ų140.871%0.71481%0.814SS**  -118.6179.2-9731.8-9000114.1
300P48Very low48.4Very low136 Ų136140.8 Ų140.888%0.88382%0.815SS**  trans-87.7141.2-17334-34.2000113.9
301G45.8Very low48Very low69 Ų69138.3 Ų138.371%0.71181%0.812SS**  trans177.8139.5169.400000116.9
302S46.8Very low48.2Very low135 Ų135138.5 Ų138.594%0.94481%0.81SS**  trans78.2132.2156.6-63.40000121.1
303F41.5Very low47.7Very low197 Ų197134 Ų13486%0.86480%0.801SS**  trans-109.6129.2-167.9-178.1-84.7000109.9
304A48.9Very low47.5Very low93 Ų93135 Ų13577%0.76981%0.806SS**  trans-162.7102.2163.100000108.3
305M50.3Low48.4Very low170 Ų170135.1 Ų135.184%0.83780%0.804SS**  72.593.873.3-159.9171.6-160.300113
306M58.7Low48.2Very low178 Ų178131.3 Ų131.388%0.87780%0.8SS**  trans-143.8155.2171.4-90.6-87.3152.600109
307P59Low48.1Very low108 Ų108134.5 Ų134.570%0.70181%0.812SS**  trans-101.8172.8-138.6-2.924.8000115.8
308P50.8Low48Very low128 Ų128136 Ų13683%0.83182%0.816SS**  trans-79.8148.6-178.633.7-35000112.8
309M56.5Low47.6Very low194 Ų194135.7 Ų135.796%0.95682%0.815SS**  trans-127.3144.8170.3-104.2-70.5178.300110.6
310N47Very low47.6Very low165 Ų165140.1 Ų140.188%0.88283%0.826SS**  trans-117.9118.4-154.1-149.313000111.8
311G43.8Very low47.8Very low71 Ų71142 Ų14273%0.73282%0.821SS**  trans66.8-179.2160.700000118.9
312P47.3Very low48.4Very low117 Ų117142.7 Ų142.776%0.7682%0.819SS**  cis-1271640.940.9-26.7000116.1
313S41.5Very low48.8Very low105 Ų105141.3 Ų141.373%0.73480%0.801SS**  trans47109.4148.4580000120.9
314N39.4Very low50Low165 Ų165140.1 Ų140.188%0.88280%0.796SS**PPolyproline II helixtrans-68.5132.3156.6-75.9-2.2000111
315P59.6Low51.2Low110 Ų110141.7 Ų141.771%0.71479%0.792SS**PPolyproline II helixtrans-78168.6154.434.3-31.4000110.8
316P41.6Very low52.4Low122 Ų122137.9 Ų137.979%0.79278%0.778SS**PPolyproline II helixtrans-77.5163.9-172.58.54.3000114.1D318P316-D318 PolarHBondContact O-N 2.94Å
317L42.4Very low53Low171 Ų171134.3 Ų134.390%0.89576%0.762SS**PPolyproline II helixtrans-61.6116.9172.7-66134.4000111.3
318D38.6Very low54.1Low153 Ų153131.6 Ų131.682%0.81875%0.748SS**  trans-156.5145.6152.9-86.4-45.4000109P316P316-D318 PolarHBondContact O-N 2.94Å
319D43.5Very low55.6Low153 Ų153132 Ų13282%0.81874%0.739SS**  trans5964.4170.8-64.7-42000120.1K321D319-K321 PolarHBondContact O-N 3.11Å
320E49.6Very low56.6Low203 Ų203131.4 Ų131.495%0.94973%0.726SS**  trans-72.569.1154.1-82-159140.500112.2
321K50.5Low58.2Low176 Ų176130.9 Ų130.977%0.76572%0.716SS**  trans-103.184.7145.5-88-171.5175.7-179.80108.3D319 D323D319-K321 PolarHBondContact O-N 3.11Å; K321-D323 PolarHBondContact O-N 3.01Å
322A58.3Low60.2Low82 Ų82132 Ų13268%0.67870%0.703SS**  trans-65.996.5169.900000109.2F324A322-F324 PolarHBondContact O-N 2.65Å; A322-F324 VanDerWaalsContact O-N 3.11Å
323D56.6Low61.9Low107 Ų107134.2 Ų134.257%0.57270%0.7SS**  trans-58.7116.2-179.2-87.3-29.2000110.8K321 D325 T326K321-D323 PolarHBondContact O-N 3.01Å; D323-D325 PolarHBondContact O-N 3.3Å; D323-T326 WeakPolarHBondContact CB-OG1 3.49Å; D323-T326 WeakPolarHBondContact O-CB 3.44Å; D323-T326 PolarHBondContact O-N 3.07Å; D323-T326 PolarHBondContact O-OG1 3.33Å
324F66.1Low63.6Low172 Ų172135.4 Ų135.475%0.75470%0.698SS**Hα-helixtrans-61.2-30.6-175.2-158.4-95.7000111.6A322 L327 A328A322-F324 PolarHBondContact O-N 2.65Å; A322-F324 VanDerWaalsContact O-N 3.11Å; F324-L327 PolarHBondContact O-N 3.22Å; F324-A328 PolarHBondContact O-N 3.22Å
325D73.5Confident65.6Low126 Ų126135 Ų13567%0.67469%0.688SS**Hα-helixtrans-66.2-35.4175.8-67-34.2000112.6D323 L327 A328 E329D323-D325 PolarHBondContact O-N 3.3Å; D325-L327 VanDerWaalsContact C-N 3.29Å; D325-L327 PolarHBondContact O-N 3.42Å; D325-A328 PolarHBondContact O-N 3.43Å; D325-E329 PolarHBondContact O-N 3.39Å
326T75.8Confident66.2Low89 Ų89138 Ų13855%0.54669%0.69SS.*Hα-helixtrans-68.5-30.9176.8-37.10000111.7D323 R330D323-T326 WeakPolarHBondContact CB-OG1 3.49Å; D323-T326 WeakPolarHBondContact O-CB 3.44Å; D323-T326 PolarHBondContact O-N 3.07Å; D323-T326 PolarHBondContact O-OG1 3.33Å; T326-R330 WeakPolarHBondContact O-CB 3.49Å; T326-R330 PolarHBondContact O-N 3.44Å
327L72.6Confident66.6Low103 Ų103144.1 Ų144.154%0.53970%0.704SS.*Hα-helixtrans-72.7-39.8171.5-77.8164.4000111.8F324 D325 R330 F331F324-L327 PolarHBondContact O-N 3.22Å; D325-L327 VanDerWaalsContact C-N 3.29Å; D325-L327 PolarHBondContact O-N 3.42Å; L327-R330 PolarHBondContact O-N 3.47Å; L327-F331 PolarHBondContact O-N 3.04Å; L327-F331 VanDerWaalsContact O-N 3.07Å
328A80.3Confident67.8Low51 Ų51142.8 Ų142.842%0.42169%0.694SS.*Hα-helixtrans-62.7-47.2176.700000112.3F324 D325 R330 F331 E332F324-A328 PolarHBondContact O-N 3.22Å; D325-A328 PolarHBondContact O-N 3.43Å; A328-R330 VanDerWaalsContact C-N 3.3Å; A328-R330 PolarHBondContact O-N 3.3Å; A328-F331 PolarHBondContact O-N 3.44Å; A328-E332 PolarHBondContact O-N 3.32Å; A328-E332 VanDerWaalsContact O-N 3.09Å
329E82.8Confident69.3Low136 Ų136142.2 Ų142.264%0.63669%0.688SS**Hα-helixtrans-59.9-39.2174.9-77.1-155.2140.800112.6D325 F331 E332 K333D325-E329 PolarHBondContact O-N 3.39Å; E329-F331 VanDerWaalsContact C-N 3.3Å; E329-F331 PolarHBondContact O-N 3.09Å; E329-E332 PolarHBondContact O-N 3.06Å; E329-K333 PolarHBondContact O-N 3.18Å
330R78.7Confident70.8Confident183 Ų183141.6 Ų141.669%0.69168%0.681SS**Hα-helixtrans-66.9-33.5179.4-164.9176.2-173.7-177.32.5111.7T326 L327 A328 L334T326-R330 WeakPolarHBondContact O-CB 3.49Å; T326-R330 PolarHBondContact O-N 3.44Å; L327-R330 PolarHBondContact O-N 3.47Å; A328-R330 VanDerWaalsContact C-N 3.3Å; A328-R330 PolarHBondContact O-N 3.3Å; R330-L334 PolarHBondContact O-N 3.39Å
331F80.7Confident72Confident153 Ų153138 Ų13867%0.67167%0.665SS**Hα-helixtrans-71-43.6176.1-160.2-97.6000112L327 A328 E329 K333 L334 K335L327-F331 PolarHBondContact O-N 3.04Å; L327-F331 VanDerWaalsContact O-N 3.07Å; A328-F331 PolarHBondContact O-N 3.44Å; E329-F331 VanDerWaalsContact C-N 3.3Å; E329-F331 PolarHBondContact O-N 3.09Å; F331-K333 VanDerWaalsContact C-N 3.34Å; F331-K333 PolarHBondContact O-N 3.46Å; F331-L334 PolarHBondContact O-N 3.2Å; F331-K335 PolarHBondContact O-N 3.37Å
332E85.6Confident73.4Confident96 Ų96135.6 Ų135.645%0.44966%0.659SS.*Hα-helixtrans-60.5-40.1174-96.9-67.5119.500112.6A328 E329 L334 K335 K336A328-E332 PolarHBondContact O-N 3.32Å; A328-E332 VanDerWaalsContact O-N 3.09Å; E329-E332 PolarHBondContact O-N 3.06Å; E332-L334 VanDerWaalsContact C-N 3.25Å; E332-L334 PolarHBondContact O-N 3.18Å; E332-K335 PolarHBondContact O-N 2.95Å; E332-K336 IonicContact OE2-NZ 3.64Å
333K83.4Confident74.4Confident163 Ų163139.2 Ų139.271%0.70966%0.657SS**Hα-helixtrans-62.9-27.5176.1-103.4170.8179.7158.50114.1E329 F331E329-K333 PolarHBondContact O-N 3.18Å; F331-K333 VanDerWaalsContact C-N 3.34Å; F331-K333 PolarHBondContact O-N 3.46Å
334L75.2Confident75.7Confident129 Ų129141.5 Ų141.568%0.67566%0.663SS**Hα-helixtrans-82.5-17178-101.9141.3000113.3R330 F331 E332R330-L334 PolarHBondContact O-N 3.39Å; F331-L334 PolarHBondContact O-N 3.2Å; E332-L334 VanDerWaalsContact C-N 3.25Å; E332-L334 PolarHBondContact O-N 3.18Å
335K81.9Confident76.4Confident158 Ų158139.2 Ų139.269%0.68766%0.656SS**THydrogen-bonded Turntrans-88.7-7.6-178.8-141.2179.4168.1-168.60113.9F331 E332F331-K335 PolarHBondContact O-N 3.37Å; E332-K335 PolarHBondContact O-N 2.95Å
336K72.4Confident76.6Confident172 Ų172140.3 Ų140.375%0.74866%0.655SS**THydrogen-bonded Turntrans-107.220.9-178.3-81176.1175151.30113.6E332E332-K336 IonicContact OE2-NZ 3.64Å
337K50.4Low76.7Confident250 Ų250144.9 Ų144.9100%1.08767%0.665SS**  trans-132.50-174.6-153.5-177-174.7-172.90111.4

Retrieved 337 of 337 residues in 55.6 ms (Link to these results)

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