A0A087YHY0_POEFO Loading...

Paired box protein Pax-9

AlphaFold DB , UniProt , Accession A0A087YHY0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 338 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
1M42.3Very low73.3Confident240 Ų240115.4 Ų115.4100%1.18261%0.612SS**  0109.80-177.9173.3-176.300105.7
2E42.7Very low74.9Confident154 Ų154108.3 Ų108.372%0.7259%0.587SS**  trans-58.6131.6-174.9-97.8-64.610100111.1A4E2-A4 PolarHBondContact O-N 3.18Å
3P49.7Very low76.3Confident83 Ų83100.6 Ų100.654%0.53955%0.548SS..  trans-68.4122.4169.829.7-31.5000108.1F5P3-F5 HydrophobicContact CG-CE2 4.3Å; P3-F5 WeakPolarHBondContact O-CD2 3.44Å; P3-F5 PolarHBondContact O-N 2.57Å
4A59.5Low77.5Confident82 Ų82100.9 Ų100.968%0.67855%0.554SS**  trans-64.5100.2174.800000109.2E2 G6E2-A4 PolarHBondContact O-N 3.18Å; A4-G6 PolarHBondContact O-N 3.27Å
5F66.1Low78.6Confident180 Ų18098.4 Ų98.479%0.78954%0.536SS*.  trans-54.7109.6179.2-83.3-96.3000109.7P3P3-F5 HydrophobicContact CG-CE2 4.3Å; P3-F5 WeakPolarHBondContact O-CD2 3.44Å; P3-F5 PolarHBondContact O-N 2.57Å
6G82.1Confident79.5Confident25 Ų2596 Ų9626%0.25853%0.525SS..  trans-79.6136.5174.400000110.5A4 F15A4-G6 PolarHBondContact O-N 3.27Å; G6-F15 CarbonylContact C-O 3.59Å; G6-F15 WeakPolarHBondContact CA-O 3.44Å
7E90.1Very high80.2Confident96 Ų9696.5 Ų96.545%0.44953%0.527SS..EExtended strand (participates in β ladder)trans-67.1150.9171-70.5166.6-120.300110.2V14 F15 N17E7-V14 CarbonylContact O-C 3.33Å; E7-V14 WeakPolarHBondContact O-CA 3.12Å; E7-F15 HydrophobicContact CB-CD1 4.13Å; E7-F15 HydrophobicContact CB-CE1 3.51Å; E7-F15 HydrophobicContact CB-CE2 4.24Å; E7-F15 HydrophobicContact CB-CZ 3.57Å; E7-F15 HydrophobicContact CG-CZ 4.48Å; E7-F15 PolarHBondContact N-O 2.9Å; E7-F15 WeakPolarHBondContact O-CD1 3.45Å; E7-F15 PolarHBondContact O-N 3.48Å; E7-N17 WeakPolarHBondContact OE1-CB 3.39Å; E7-N17 PolarHBondContact OE1-ND2 3.28Å; E7-N17 PolarHBondContact OE2-ND2 2.97Å
8V94.1Very high80.6Confident100 Ų10095.2 Ų95.261%0.60654%0.539SS*.EExtended strand (participates in β ladder)trans-104.1125.1177-177.40000109V14V8-V14 HydrophobicContact CG2-CG2 4.44Å
9N93.3Very high81.2Confident37 Ų37100.1 Ų100.120%0.19855%0.548CS..  trans-81171.517870.138.6000112.3L11 G12 G13 F15 R47N9-L11 PolarHBondContact O-N 3.33Å; N9-L11 WeakPolarHBondContact OD1-CA 3.19Å; N9-L11 WeakPolarHBondContact OD1-CB 3.43Å; N9-L11 PolarHBondContact OD1-N 2.92Å; N9-G12 PolarHBondContact O-N 3.41Å; N9-G12 PolarHBondContact OD1-N 2.91Å; N9-G13 VanDerWaalsContact CG-O 3.22Å; N9-G13 PolarHBondContact N-O 2.98Å; N9-G13 PolarHBondContact ND2-O 2.95Å; N9-G13 PolarHBondContact OD1-N 3.41Å; N9-G13 VanDerWaalsContact OD1-N 3.1Å; N9-F15 HydrophobicContact CB-CD1 3.96Å; N9-F15 HydrophobicContact CB-CE1 3.88Å; N9-R47 PolarHBondContact ND2-O 3.5Å; N9-R47 PolarHBondContact OD1-O 3.17Å
10Q94Very high81.9Confident204 Ų20498.3 Ų98.395%0.95354%0.542SS*.THydrogen-bonded Turntrans-58.5-15.1179.8-67.4174.9-15.800115.1
11L92.5Very high82.5Confident68 Ų6895 Ų9536%0.35652%0.523SS..THydrogen-bonded Turntrans-95.84.2175.7-58.2171.2000112.4N9 R47 V48N9-L11 PolarHBondContact O-N 3.33Å; N9-L11 WeakPolarHBondContact OD1-CA 3.19Å; N9-L11 WeakPolarHBondContact OD1-CB 3.43Å; N9-L11 PolarHBondContact OD1-N 2.92Å; L11-R47 HydrophobicContact CB-CB 4.1Å; L11-R47 WeakPolarHBondContact O-CB 3.42Å; L11-R47 VanDerWaalsContact O-CD 3.25Å; L11-R47 WeakPolarHBondContact O-CD 3.34Å; L11-R47 VanDerWaalsContact O-CG 3.29Å; L11-R47 WeakPolarHBondContact O-CG 3.21Å; L11-V48 WeakPolarHBondContact CD1-O 3.26Å
12G91.9Very high85Confident31 Ų3187.5 Ų87.532%0.3249%0.492SS..SBendtrans75.124.1-177.100000114N9 R47N9-G12 PolarHBondContact O-N 3.41Å; N9-G12 PolarHBondContact OD1-N 2.91Å; G12-R47 WeakPolarHBondContact O-CD 3.19Å; G12-R47 PolarHBondContact O-NH1 3.29Å
13G93.3Very high87.6Confident8 Ų883.5 Ų83.58%0.08248%0.476CS..  trans-104.6137.3179.100000112.6N9N9-G13 VanDerWaalsContact CG-O 3.22Å; N9-G13 PolarHBondContact N-O 2.98Å; N9-G13 PolarHBondContact ND2-O 2.95Å; N9-G13 PolarHBondContact OD1-N 3.41Å; N9-G13 VanDerWaalsContact OD1-N 3.1Å
14V94.1Very high89.8Confident104 Ų10483 Ų8363%0.6348%0.479SS*.EExtended strand (participates in β ladder)trans-81.3134.3-178.6-174.60000110.8E7 V8E7-V14 CarbonylContact O-C 3.33Å; E7-V14 WeakPolarHBondContact O-CA 3.12Å; V8-V14 HydrophobicContact CG2-CG2 4.44Å
15F93.7Very high91.6Very high64 Ų6481.9 Ų81.928%0.28146%0.461SS..EExtended strand (participates in β ladder)trans-143.1169.3175.473.6-75.6000111.2G6 E7 N9G6-F15 CarbonylContact C-O 3.59Å; G6-F15 WeakPolarHBondContact CA-O 3.44Å; E7-F15 HydrophobicContact CB-CD1 4.13Å; E7-F15 HydrophobicContact CB-CE1 3.51Å; E7-F15 HydrophobicContact CB-CE2 4.24Å; E7-F15 HydrophobicContact CB-CZ 3.57Å; E7-F15 HydrophobicContact CG-CZ 4.48Å; E7-F15 PolarHBondContact N-O 2.9Å; E7-F15 WeakPolarHBondContact O-CD1 3.45Å; E7-F15 PolarHBondContact O-N 3.48Å; N9-F15 HydrophobicContact CB-CD1 3.96Å; N9-F15 HydrophobicContact CB-CE1 3.88Å
16V93.2Very high93.1Very high60 Ų6074 Ų7436%0.36443%0.426SS..  trans-126.4122.1175.1-179.10000108.7R19V16-R19 HydrophobicContact CB-CB 4.24Å; V16-R19 HydrophobicContact CB-CG 4.42Å; V16-R19 HydrophobicContact CG1-CB 4.32Å; V16-R19 HydrophobicContact CG1-CG 3.97Å; V16-R19 PolarHBondContact O-N 3.37Å
17N90.6Very high93.8Very high105 Ų10576.4 Ų76.456%0.56143%0.432SS*.THydrogen-bonded Turntrans-58.8142.7-178.4-104.8-43.1000112.3E7 R19E7-N17 WeakPolarHBondContact OE1-CB 3.39Å; E7-N17 PolarHBondContact OE1-ND2 3.28Å; E7-N17 PolarHBondContact OE2-ND2 2.97Å; N17-R19 PolarHBondContact O-N 2.99Å
18G88.5Confident94.2Very high72 Ų7276.6 Ų76.674%0.74243%0.429SS*.THydrogen-bonded Turntrans69.1-7.5-17600000116.3
19R91.9Very high94.4Very high189 Ų18971.8 Ų71.871%0.71340%0.4SS*.SBendtrans-101.3150.3178.8-64.4-166-177.4-130-0.8112.1V16 N17V16-R19 HydrophobicContact CB-CB 4.24Å; V16-R19 HydrophobicContact CB-CG 4.42Å; V16-R19 HydrophobicContact CG1-CB 4.32Å; V16-R19 HydrophobicContact CG1-CG 3.97Å; V16-R19 PolarHBondContact O-N 3.37Å; N17-R19 PolarHBondContact O-N 2.99Å
20P94.4Very high94.6Very high63 Ų6370.4 Ų70.441%0.40939%0.393SS..PPolyproline II helixtrans-69.4147.117329.9-33.7000111P68 I71P20-P68 HydrophobicContact CB-CB 3.59Å; P20-P68 HydrophobicContact CB-CG 4.01Å; P20-P68 HydrophobicContact CG-CB 4.11Å; P20-P68 HydrophobicContact CG-CG 4.12Å; P20-I71 HydrophobicContact CB-CD1 4.24Å; P20-I71 HydrophobicContact CG-CD1 4.29Å
21L95.2Very high94.8Very high30 Ų3064.2 Ų64.216%0.15736%0.364CS..PPolyproline II helixtrans-53.7140.2172.3-170.671.7000110.7I25 R26 I29 V48 I56L21-I25 HydrophobicContact CD1-CG2 4.48Å; L21-I25 HydrophobicContact CD2-CB 4.12Å; L21-I25 HydrophobicContact CD2-CG2 3.83Å; L21-I25 HydrophobicContact CG-CB 4.15Å; L21-I25 HydrophobicContact CG-CG2 4.26Å; L21-R26 HydrophobicContact CB-CG 4.05Å; L21-R26 HydrophobicContact CD2-CG 4.12Å; L21-R26 HydrophobicContact CG-CG 4.29Å; L21-R26 WeakPolarHBondContact O-CD 3.38Å; L21-I29 HydrophobicContact CD2-CD1 3.81Å; L21-V48 HydrophobicContact CD1-CG2 4.17Å; L21-V48 HydrophobicContact CD2-CG1 4.05Å; L21-V48 HydrophobicContact CD2-CG2 4.1Å; L21-I56 HydrophobicContact CD2-CD1 3.78Å
22P95.1Very high95.1Very high82 Ų8261.1 Ų61.153%0.53235%0.348SS..PPolyproline II helixtrans-57138.8-178.5-27.335.8000113.4A24 I25 R26P22-A24 PolarHBondContact O-N 2.82Å; P22-A24 VanDerWaalsContact O-N 3.14Å; P22-I25 HydrophobicContact CB-CG1 4.47Å; P22-I25 PolarHBondContact O-N 3.26Å; P22-R26 PolarHBondContact O-N 3.05Å; P22-R26 VanDerWaalsContact O-N 3.11Å
23N95.8Very high95.4Very high71 Ų7161.2 Ų61.238%0.3835%0.346SS..Hα-helixtrans-56.4-34.1-173.9-85.84.2000113.9I25 R26 L27N23-I25 VanDerWaalsContact C-N 3.33Å; N23-I25 PolarHBondContact O-N 2.7Å; N23-R26 PolarHBondContact O-N 3.35Å; N23-L27 WeakPolarHBondContact O-CG 3.04Å; N23-L27 PolarHBondContact O-N 3.13Å
24A96.2Very high95.6Very high72 Ų7266.8 Ų66.860%0.59537%0.369SS*.Hα-helixtrans-59.6-41175.400000112.7P22 R28P22-A24 PolarHBondContact O-N 2.82Å; P22-A24 VanDerWaalsContact O-N 3.14Å; A24-R28 WeakPolarHBondContact O-CB 3.42Å; A24-R28 PolarHBondContact O-N 2.89Å
25I96.9Very high95.7Very high58 Ų5867.9 Ų67.930%0.29737%0.371SS..Hα-helixtrans-73.6-34.5176.2-48.2-56.5000110.6L21 P22 N23 R28 I29 L46 V48L21-I25 HydrophobicContact CD1-CG2 4.48Å; L21-I25 HydrophobicContact CD2-CB 4.12Å; L21-I25 HydrophobicContact CD2-CG2 3.83Å; L21-I25 HydrophobicContact CG-CB 4.15Å; L21-I25 HydrophobicContact CG-CG2 4.26Å; P22-I25 HydrophobicContact CB-CG1 4.47Å; P22-I25 PolarHBondContact O-N 3.26Å; N23-I25 VanDerWaalsContact C-N 3.33Å; N23-I25 PolarHBondContact O-N 2.7Å; I25-R28 PolarHBondContact O-N 3.22Å; I25-I29 HydrophobicContact CG2-CD1 4.37Å; I25-I29 VanDerWaalsContact O-CG1 3.3Å; I25-I29 WeakPolarHBondContact O-CG1 3.46Å; I25-I29 PolarHBondContact O-N 3.02Å; I25-L46 HydrophobicContact CG2-CB 4.41Å; I25-L46 HydrophobicContact CG2-CD1 4.2Å; I25-V48 HydrophobicContact CG2-CG2 3.76Å
26R98.1Very high95.9Very high14 Ų1467.9 Ų67.95%0.05339%0.389CS..Hα-helixtrans-64.9-38.9175.7-62177.458.675.512.6112.3L21 P22 N23 I56 I66 L67L21-R26 HydrophobicContact CB-CG 4.05Å; L21-R26 HydrophobicContact CD2-CG 4.12Å; L21-R26 HydrophobicContact CG-CG 4.29Å; L21-R26 WeakPolarHBondContact O-CD 3.38Å; P22-R26 PolarHBondContact O-N 3.05Å; P22-R26 VanDerWaalsContact O-N 3.11Å; N23-R26 PolarHBondContact O-N 3.35Å; R26-I56 HydrophobicContact CG-CD1 4.06Å; R26-I66 PolarHBondContact NE-O 2.91Å; R26-I66 PolarHBondContact NH2-O 3.31Å; R26-L67 PolarHBondContact NH2-O 3.19Å; R26-L67 VanDerWaalsContact NH2-O 3.17Å
27L97.7Very high96.1Very high77 Ų7767.8 Ų67.840%0.40339%0.386SS..Hα-helixtrans-63-52.1169.8-75.5163.2000110.6N23 I29 V30 E31 I66N23-L27 WeakPolarHBondContact O-CG 3.04Å; N23-L27 PolarHBondContact O-N 3.13Å; L27-I29 VanDerWaalsContact C-N 3.26Å; L27-I29 PolarHBondContact O-N 3.23Å; L27-V30 WeakPolarHBondContact O-CA 3.42Å; L27-V30 WeakPolarHBondContact O-CB 3.31Å; L27-V30 PolarHBondContact O-N 2.97Å; L27-E31 PolarHBondContact O-N 3.04Å; L27-I66 HydrophobicContact CD2-CB 4.45Å; L27-I66 HydrophobicContact CD2-CD1 4.16Å; L27-I66 HydrophobicContact CD2-CG1 3.85Å; L27-I66 HydrophobicContact CD2-CG2 4.27Å; L27-I66 HydrophobicContact CG-CD1 4.16Å; L27-I66 HydrophobicContact CG-CG1 4.33Å
28R97.9Very high96.5Very high99 Ų9970.9 Ų70.937%0.37439%0.39SS..Hα-helixtrans-60.4-32.4-177.3-168.156.4174.51772.3113.7A24 I25 V30 E31 L32 L46A24-R28 WeakPolarHBondContact O-CB 3.42Å; A24-R28 PolarHBondContact O-N 2.89Å; I25-R28 PolarHBondContact O-N 3.22Å; R28-V30 VanDerWaalsContact C-N 3.33Å; R28-V30 PolarHBondContact O-N 3.19Å; R28-E31 WeakPolarHBondContact CD-OE2 3.4Å; R28-E31 IonicContact CZ-OE2 3.62Å; R28-E31 IonicContact NE-OE2 2.71Å; R28-E31 IonicContact NH1-OE2 2.71Å; R28-E31 PolarHBondContact NH1-OE2 3.44Å; R28-L32 HydrophobicContact CG-CD1 3.99Å; R28-L32 HydrophobicContact CG-CG 4.32Å; R28-L32 WeakPolarHBondContact O-CB 3.36Å; R28-L32 WeakPolarHBondContact O-CD1 3.46Å; R28-L32 WeakPolarHBondContact O-CG 3.28Å; R28-L32 PolarHBondContact O-N 3.35Å; R28-L32 VanDerWaalsContact O-N 3.09Å; R28-L46 HydrophobicContact CB-CD1 4.23Å; R28-L46 HydrophobicContact CG-CD1 4.12Å; R28-L46 HydrophobicContact CG-CD2 3.79Å
29I98.2Very high96.9Very high0 Ų070 Ų700%037%0.371CS..Hα-helixtrans-59.3-42.8171.6-76.4165.9000111.6L21 I25 L27 A33 I42 L46 V48 V53 I56 L57L21-I29 HydrophobicContact CD2-CD1 3.81Å; I25-I29 HydrophobicContact CG2-CD1 4.37Å; I25-I29 VanDerWaalsContact O-CG1 3.3Å; I25-I29 WeakPolarHBondContact O-CG1 3.46Å; I25-I29 PolarHBondContact O-N 3.02Å; L27-I29 VanDerWaalsContact C-N 3.26Å; L27-I29 PolarHBondContact O-N 3.23Å; I29-A33 PolarHBondContact O-N 2.95Å; I29-I42 HydrophobicContact CB-CG2 4.43Å; I29-I42 HydrophobicContact CG1-CG2 4.04Å; I29-L46 HydrophobicContact CB-CD1 4.46Å; I29-L46 HydrophobicContact CG1-CD1 3.51Å; I29-V48 HydrophobicContact CD1-CG1 4.26Å; I29-V53 HydrophobicContact CD1-CG2 4.21Å; I29-V53 HydrophobicContact CG1-CG2 4.47Å; I29-V53 HydrophobicContact CG2-CG1 4Å; I29-I56 HydrophobicContact CB-CG2 4.31Å; I29-I56 HydrophobicContact CD1-CD1 3.56Å; I29-I56 HydrophobicContact CG2-CB 4.17Å; I29-I56 HydrophobicContact CG2-CG2 3.75Å; I29-L57 HydrophobicContact CG2-CD2 3.81Å; I29-L57 HydrophobicContact CG2-CG 3.95Å
30V97.8Very high97.2Very high7 Ų762.5 Ų62.54%0.04235%0.347CS..Hα-helixtrans-73.6-44.6179.9173.10000111.1L27 R28 L32 A33 Q34 I56 L57 Y60 I66L27-V30 WeakPolarHBondContact O-CA 3.42Å; L27-V30 WeakPolarHBondContact O-CB 3.31Å; L27-V30 PolarHBondContact O-N 2.97Å; R28-V30 VanDerWaalsContact C-N 3.33Å; R28-V30 PolarHBondContact O-N 3.19Å; V30-L32 VanDerWaalsContact C-N 3.35Å; V30-L32 PolarHBondContact O-N 3.16Å; V30-A33 PolarHBondContact O-N 3.26Å; V30-A33 VanDerWaalsContact O-N 3.16Å; V30-Q34 HydrophobicContact CG1-CG 4.3Å; V30-Q34 WeakPolarHBondContact O-CG 3.16Å; V30-Q34 PolarHBondContact O-N 3.02Å; V30-I56 HydrophobicContact CG2-CG2 4.32Å; V30-L57 HydrophobicContact CG2-CD2 4.25Å; V30-Y60 HydrophobicContact CG1-CD1 3.74Å; V30-Y60 HydrophobicContact CG1-CD2 3.99Å; V30-Y60 HydrophobicContact CG1-CE1 3.53Å; V30-Y60 HydrophobicContact CG1-CE2 3.81Å; V30-Y60 HydrophobicContact CG1-CG 3.96Å; V30-Y60 HydrophobicContact CG2-CD1 4.24Å; V30-Y60 HydrophobicContact CG2-CD2 3.95Å; V30-Y60 HydrophobicContact CG2-CG 3.78Å; V30-I66 HydrophobicContact CG2-CG2 4.05Å
31E98Very high97.4Very high75 Ų7562.1 Ų62.135%0.3534%0.342SS..Hα-helixtrans-53.8-49176-68.6165.4-15400112L27 R28 A33 Q34 L35L27-E31 PolarHBondContact O-N 3.04Å; R28-E31 WeakPolarHBondContact CD-OE2 3.4Å; R28-E31 IonicContact CZ-OE2 3.62Å; R28-E31 IonicContact NE-OE2 2.71Å; R28-E31 IonicContact NH1-OE2 2.71Å; R28-E31 PolarHBondContact NH1-OE2 3.44Å; E31-A33 VanDerWaalsContact C-N 3.32Å; E31-A33 PolarHBondContact O-N 3.16Å; E31-Q34 PolarHBondContact O-N 3.29Å; E31-L35 WeakPolarHBondContact O-CG 3.45Å; E31-L35 PolarHBondContact O-N 3.27Å
32L98.3Very high97.5Very high3 Ų360.7 Ų60.72%0.01633%0.334CS..Hα-helixtrans-66.7-34.4-179.1-65166.8000111.9R28 V30 L35 I37 I42 Q45 L46R28-L32 HydrophobicContact CG-CD1 3.99Å; R28-L32 HydrophobicContact CG-CG 4.32Å; R28-L32 WeakPolarHBondContact O-CB 3.36Å; R28-L32 WeakPolarHBondContact O-CD1 3.46Å; R28-L32 WeakPolarHBondContact O-CG 3.28Å; R28-L32 PolarHBondContact O-N 3.35Å; R28-L32 VanDerWaalsContact O-N 3.09Å; V30-L32 VanDerWaalsContact C-N 3.35Å; V30-L32 PolarHBondContact O-N 3.16Å; L32-L35 PolarHBondContact O-N 3.31Å; L32-I37 HydrophobicContact CB-CB 4.44Å; L32-I37 HydrophobicContact CB-CD1 4.12Å; L32-I37 HydrophobicContact CD2-CD1 3.59Å; L32-I37 HydrophobicContact CG-CD1 4.44Å; L32-I37 VanDerWaalsContact O-CB 3.23Å; L32-I37 WeakPolarHBondContact O-CB 3.27Å; L32-I37 WeakPolarHBondContact O-CG1 3.41Å; L32-I37 PolarHBondContact O-N 3.3Å; L32-I42 HydrophobicContact CB-CD1 3.75Å; L32-I42 HydrophobicContact CB-CG1 3.74Å; L32-I42 HydrophobicContact CD1-CG1 4.36Å; L32-I42 HydrophobicContact CD1-CG2 4.14Å; L32-Q45 VanDerWaalsContact CD1-OE1 3.3Å; L32-L46 HydrophobicContact CD1-CD1 3.88Å; L32-L46 HydrophobicContact CD1-CD2 4.13Å; L32-L46 HydrophobicContact CD1-CG 4Å
33A97.8Very high97.6Very high33 Ų3357.1 Ų57.127%0.27331%0.311SS..Hα-helixtrans-70.6-36175.200000112.3I29 V30 E31 L35 G36 I42 L57I29-A33 PolarHBondContact O-N 2.95Å; V30-A33 PolarHBondContact O-N 3.26Å; V30-A33 VanDerWaalsContact O-N 3.16Å; E31-A33 VanDerWaalsContact C-N 3.32Å; E31-A33 PolarHBondContact O-N 3.16Å; A33-L35 VanDerWaalsContact C-N 3.28Å; A33-L35 PolarHBondContact O-N 2.99Å; A33-G36 PolarHBondContact O-N 3.22Å; A33-I42 HydrophobicContact CB-CD1 3.89Å; A33-L57 HydrophobicContact CB-CD1 4.02Å; A33-L57 HydrophobicContact CB-CD2 3.52Å; A33-L57 HydrophobicContact CB-CG 4.44Å
34Q97.4Very high97.7Very high125 Ų12561 Ų6158%0.58432%0.32SS*.Hα-helixtrans-65.9-30.7172.4-72.6171.8-21.700112.2V30 E31 G36 Y60V30-Q34 HydrophobicContact CG1-CG 4.3Å; V30-Q34 WeakPolarHBondContact O-CG 3.16Å; V30-Q34 PolarHBondContact O-N 3.02Å; E31-Q34 PolarHBondContact O-N 3.29Å; Q34-G36 PolarHBondContact O-N 2.91Å; Q34-Y60 PolarHBondContact NE2-OH 2.91Å; Q34-Y60 VanDerWaalsContact NE2-OH 3.09Å
35L97.8Very high97.8Very high126 Ų12663.1 Ų63.166%0.6632%0.318SS*.THydrogen-bonded Turntrans-75.58.8168.9-65.5170.3000113.6E31 L32 A33 I37E31-L35 WeakPolarHBondContact O-CG 3.45Å; E31-L35 PolarHBondContact O-N 3.27Å; L32-L35 PolarHBondContact O-N 3.31Å; A33-L35 VanDerWaalsContact C-N 3.28Å; A33-L35 PolarHBondContact O-N 2.99Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 HydrophobicContact CB-CD1 4.36Å; L35-I37 HydrophobicContact CB-CG1 4.37Å; L35-I37 PolarHBondContact O-N 2.87Å
36G96.9Very high97.8Very high64 Ų6462.2 Ų62.266%0.6631%0.313SS*.THydrogen-bonded Turntrans76.27.8177.800000115.2A33 Q34A33-G36 PolarHBondContact O-N 3.22Å; Q34-G36 PolarHBondContact O-N 2.91Å
37I98.2Very high97.8Very high59 Ų5968 Ų6830%0.30334%0.336SS..  trans-74134.7-177.8-55.4171.1000109.6L32 L35 D41 I42L32-I37 HydrophobicContact CB-CB 4.44Å; L32-I37 HydrophobicContact CB-CD1 4.12Å; L32-I37 HydrophobicContact CD2-CD1 3.59Å; L32-I37 HydrophobicContact CG-CD1 4.44Å; L32-I37 VanDerWaalsContact O-CB 3.23Å; L32-I37 WeakPolarHBondContact O-CB 3.27Å; L32-I37 WeakPolarHBondContact O-CG1 3.41Å; L32-I37 PolarHBondContact O-N 3.3Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 HydrophobicContact CB-CD1 4.36Å; L35-I37 HydrophobicContact CB-CG1 4.37Å; L35-I37 PolarHBondContact O-N 2.87Å; I37-D41 HydrophobicContact CG2-CB 4.29Å; I37-I42 HydrophobicContact CB-CD1 4.45Å; I37-I42 HydrophobicContact CB-CG1 4.16Å; I37-I42 HydrophobicContact CG2-CG1 3.88Å; I37-I42 WeakPolarHBondContact O-CD1 3.36Å
38R98.1Very high97.7Very high170 Ų17064.8 Ų64.864%0.64232%0.319SS*.  trans-65.6139.4-175.1-58.8172.766.9-174.91.3111.2C40 D41 I42R38-C40 PolarHBondContact O-N 2.89Å; R38-C40 VanDerWaalsContact O-N 3.07Å; R38-D41 PolarHBondContact O-N 3.37Å; R38-I42 PolarHBondContact O-N 2.86Å; R38-I42 VanDerWaalsContact O-N 3.08Å
39P97.4Very high97.7Very high54 Ų5463.1 Ų63.135%0.35132%0.322SS..Hα-helixtrans-55.6-29.6-179.6-29.636.3000115.4D41 S43 V53 L57P39-D41 VanDerWaalsContact C-N 3.29Å; P39-D41 PolarHBondContact O-N 3.01Å; P39-S43 VanDerWaalsContact O-CB 3.27Å; P39-S43 WeakPolarHBondContact O-CB 3.15Å; P39-S43 PolarHBondContact O-N 3.47Å; P39-V53 HydrophobicContact CB-CG1 4.16Å; P39-L57 HydrophobicContact CB-CD1 4.28Å; P39-L57 HydrophobicContact CG-CD1 3.95Å
40C97.8Very high97.7Very high31 Ų3168 Ų6821%0.20935%0.345CS..Hα-helixtrans-66.5-28.7174.555.20000113.6R38 R44R38-C40 PolarHBondContact O-N 2.89Å; R38-C40 VanDerWaalsContact O-N 3.07Å; C40-R44 PolarHBondContact O-N 3.19Å; C40-R44 PolarHBondContact O-NE 3.18Å
41D97.9Very high97.7Very high55 Ų5570 Ų7029%0.29437%0.366SS..Hα-helixtrans-95.2-33.1-175.6-55-37.5000110.5I37 R38 P39 S43 R44 Q45I37-D41 HydrophobicContact CG2-CB 4.29Å; R38-D41 PolarHBondContact O-N 3.37Å; P39-D41 VanDerWaalsContact C-N 3.29Å; P39-D41 PolarHBondContact O-N 3.01Å; D41-S43 VanDerWaalsContact C-N 3.29Å; D41-S43 PolarHBondContact O-N 2.75Å; D41-R44 PolarHBondContact O-N 2.72Å; D41-R44 IonicContact OD1-CZ 3.4Å; D41-R44 IonicContact OD1-NE 3.24Å; D41-R44 PolarHBondContact OD1-NE 3.28Å; D41-R44 IonicContact OD1-NH2 3.75Å; D41-R44 PolarHBondContact OD1-NH2 2.93Å; D41-Q45 VanDerWaalsContact O-CB 3.29Å; D41-Q45 WeakPolarHBondContact O-CB 3.47Å; D41-Q45 PolarHBondContact O-N 3.46Å
42I98.2Very high97.6Very high0 Ų068.1 Ų68.10%036%0.362CS..Hα-helixtrans-54.7-45.8161.3-60.5176.9000110.8I29 L32 A33 I37 R38 R44 Q45 L46 V53I29-I42 HydrophobicContact CB-CG2 4.43Å; I29-I42 HydrophobicContact CG1-CG2 4.04Å; L32-I42 HydrophobicContact CB-CD1 3.75Å; L32-I42 HydrophobicContact CB-CG1 3.74Å; L32-I42 HydrophobicContact CD1-CG1 4.36Å; L32-I42 HydrophobicContact CD1-CG2 4.14Å; A33-I42 HydrophobicContact CB-CD1 3.89Å; I37-I42 HydrophobicContact CB-CD1 4.45Å; I37-I42 HydrophobicContact CB-CG1 4.16Å; I37-I42 HydrophobicContact CG2-CG1 3.88Å; I37-I42 WeakPolarHBondContact O-CD1 3.36Å; R38-I42 PolarHBondContact O-N 2.86Å; R38-I42 VanDerWaalsContact O-N 3.08Å; I42-R44 VanDerWaalsContact C-N 3.35Å; I42-R44 PolarHBondContact O-N 3.25Å; I42-Q45 PolarHBondContact O-N 3.28Å; I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.45Å; I42-L46 WeakPolarHBondContact O-CB 3.41Å; I42-L46 PolarHBondContact O-N 3.39Å; I42-V53 HydrophobicContact CB-CG1 4.3Å; I42-V53 HydrophobicContact CG2-CG1 3.98Å; I42-V53 HydrophobicContact CG2-CG2 4.43Å
43S98.1Very high97.6Very high7 Ų768 Ų685%0.04936%0.361CS..Hα-helixtrans-57.7-44.8177.5176.30000112.2P39 D41 R47 V48 H50P39-S43 VanDerWaalsContact O-CB 3.27Å; P39-S43 WeakPolarHBondContact O-CB 3.15Å; P39-S43 PolarHBondContact O-N 3.47Å; D41-S43 VanDerWaalsContact C-N 3.29Å; D41-S43 PolarHBondContact O-N 2.75Å; S43-R47 CarbonylContact O-C 3.55Å; S43-R47 WeakPolarHBondContact O-CA 3.44Å; S43-R47 PolarHBondContact O-N 3.15Å; S43-R47 VanDerWaalsContact O-N 3.11Å; S43-V48 CarbonylContact C-O 3.57Å; S43-V48 VanDerWaalsContact CA-O 3.3Å; S43-V48 WeakPolarHBondContact CA-O 3.29Å; S43-V48 WeakPolarHBondContact CB-O 3.3Å; S43-V48 PolarHBondContact O-N 3Å; S43-V48 VanDerWaalsContact O-O 3.13Å; S43-V48 PolarHBondContact OG-O 2.95Å; S43-H50 PolarHBondContact OG-N 3.29Å
44R97.4Very high97.6Very high152 Ų15269.5 Ų69.557%0.57437%0.369SS*.Hα-helixtrans-69-49.1176-76.8178.5-90.5-101.36112.6C40 D41 I42 L46 R47C40-R44 PolarHBondContact O-N 3.19Å; C40-R44 PolarHBondContact O-NE 3.18Å; D41-R44 PolarHBondContact O-N 2.72Å; D41-R44 IonicContact OD1-CZ 3.4Å; D41-R44 IonicContact OD1-NE 3.24Å; D41-R44 PolarHBondContact OD1-NE 3.28Å; D41-R44 IonicContact OD1-NH2 3.75Å; D41-R44 PolarHBondContact OD1-NH2 2.93Å; I42-R44 VanDerWaalsContact C-N 3.35Å; I42-R44 PolarHBondContact O-N 3.25Å; R44-L46 PolarHBondContact O-N 3.36Å; R44-R47 PolarHBondContact O-N 3.47Å
45Q97.3Very high97.6Very high116 Ų11670.6 Ų70.654%0.54237%0.372SS..Hα-helixtrans-61.4-43.7-176.3-173.4-179.63200112.5L32 D41 I42L32-Q45 VanDerWaalsContact CD1-OE1 3.3Å; D41-Q45 VanDerWaalsContact O-CB 3.29Å; D41-Q45 WeakPolarHBondContact O-CB 3.47Å; D41-Q45 PolarHBondContact O-N 3.46Å; I42-Q45 PolarHBondContact O-N 3.28Å
46L97.3Very high97.6Very high39 Ų3964.8 Ų64.820%0.20434%0.342CS..THydrogen-bonded Turntrans-89.4-2.8179.4-58.2-178.3000113.3I25 R28 I29 L32 I42 R44 V48I25-L46 HydrophobicContact CG2-CB 4.41Å; I25-L46 HydrophobicContact CG2-CD1 4.2Å; R28-L46 HydrophobicContact CB-CD1 4.23Å; R28-L46 HydrophobicContact CG-CD1 4.12Å; R28-L46 HydrophobicContact CG-CD2 3.79Å; I29-L46 HydrophobicContact CB-CD1 4.46Å; I29-L46 HydrophobicContact CG1-CD1 3.51Å; L32-L46 HydrophobicContact CD1-CD1 3.88Å; L32-L46 HydrophobicContact CD1-CD2 4.13Å; L32-L46 HydrophobicContact CD1-CG 4Å; I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.45Å; I42-L46 WeakPolarHBondContact O-CB 3.41Å; I42-L46 PolarHBondContact O-N 3.39Å; R44-L46 PolarHBondContact O-N 3.36Å; L46-V48 HydrophobicContact CB-CG2 4.08Å; L46-V48 PolarHBondContact O-N 3.48Å
47R97.4Very high97.6Very high137 Ų13762.8 Ų62.852%0.51732%0.316SS..THydrogen-bonded Turntrans53.836.6-174.9-51.5-177.8178.9-169.8-1.6113.1N9 L11 G12 S43 R44N9-R47 PolarHBondContact ND2-O 3.5Å; N9-R47 PolarHBondContact OD1-O 3.17Å; L11-R47 HydrophobicContact CB-CB 4.1Å; L11-R47 WeakPolarHBondContact O-CB 3.42Å; L11-R47 VanDerWaalsContact O-CD 3.25Å; L11-R47 WeakPolarHBondContact O-CD 3.34Å; L11-R47 VanDerWaalsContact O-CG 3.29Å; L11-R47 WeakPolarHBondContact O-CG 3.21Å; G12-R47 WeakPolarHBondContact O-CD 3.19Å; G12-R47 PolarHBondContact O-NH1 3.29Å; S43-R47 CarbonylContact O-C 3.55Å; S43-R47 WeakPolarHBondContact O-CA 3.44Å; S43-R47 PolarHBondContact O-N 3.15Å; S43-R47 VanDerWaalsContact O-N 3.11Å; R44-R47 PolarHBondContact O-N 3.47Å
48V97.1Very high97.6Very high9 Ų961.8 Ų61.86%0.05532%0.316CS..  trans-107.7135.7179.41750000108.8L11 L21 I25 I29 S43 L46 H50 C52 V53L11-V48 WeakPolarHBondContact CD1-O 3.26Å; L21-V48 HydrophobicContact CD1-CG2 4.17Å; L21-V48 HydrophobicContact CD2-CG1 4.05Å; L21-V48 HydrophobicContact CD2-CG2 4.1Å; I25-V48 HydrophobicContact CG2-CG2 3.76Å; I29-V48 HydrophobicContact CD1-CG1 4.26Å; S43-V48 CarbonylContact C-O 3.57Å; S43-V48 VanDerWaalsContact CA-O 3.3Å; S43-V48 WeakPolarHBondContact CA-O 3.29Å; S43-V48 WeakPolarHBondContact CB-O 3.3Å; S43-V48 PolarHBondContact O-N 3Å; S43-V48 VanDerWaalsContact O-O 3.13Å; S43-V48 PolarHBondContact OG-O 2.95Å; L46-V48 HydrophobicContact CB-CG2 4.08Å; L46-V48 PolarHBondContact O-N 3.48Å; V48-H50 PolarHBondContact O-N 3.46Å; V48-C52 HydrophobicContact CG1-CB 3.72Å; V48-V53 HydrophobicContact CB-CG2 4.12Å; V48-V53 HydrophobicContact CG1-CG2 3.9Å
49S97.4Very high97.5Very high64 Ų6457.2 Ų57.245%0.44830%0.299SS..  trans-58.8139.5-178.663.60000112.4G51 C52 V53S49-G51 VanDerWaalsContact C-N 3.26Å; S49-G51 PolarHBondContact O-N 3.01Å; S49-C52 WeakPolarHBondContact O-CA 3.31Å; S49-C52 VanDerWaalsContact O-CB 3.29Å; S49-C52 WeakPolarHBondContact O-CB 3.32Å; S49-C52 PolarHBondContact O-N 3.35Å; S49-C52 WeakPolarHBondContact OG-CB 3.49Å; S49-V53 PolarHBondContact O-N 3.14Å; S49-V53 VanDerWaalsContact O-N 3.13Å
50H98Very high97.5Very high102 Ų10257.8 Ų57.847%0.47230%0.295SS..Hα-helixtrans-55.7-39-173.2-177.6-113.9000113.2S43 V48 C52 V53 S54S43-H50 PolarHBondContact OG-N 3.29Å; V48-H50 PolarHBondContact O-N 3.46Å; H50-C52 VanDerWaalsContact C-N 3.27Å; H50-C52 PolarHBondContact O-N 2.98Å; H50-V53 PolarHBondContact O-N 3.21Å; H50-S54 WeakPolarHBondContact O-CB 3.12Å; H50-S54 PolarHBondContact O-N 3.44Å
51G97.4Very high97.4Very high48 Ų4862.7 Ų62.750%0.49532%0.319SS..Hα-helixtrans-66.8-23.117500000114.5S49 K55S49-G51 VanDerWaalsContact C-N 3.26Å; S49-G51 PolarHBondContact O-N 3.01Å; G51-K55 WeakPolarHBondContact O-CB 3.38Å; G51-K55 PolarHBondContact O-N 2.89Å
52C96.8Very high97.2Very high37 Ų3767.1 Ų67.125%0.2534%0.338CS..Hα-helixtrans-78.1-44.2171.6-170.70000111.1V48 S49 H50 K55 I56V48-C52 HydrophobicContact CG1-CB 3.72Å; S49-C52 WeakPolarHBondContact O-CA 3.31Å; S49-C52 VanDerWaalsContact O-CB 3.29Å; S49-C52 WeakPolarHBondContact O-CB 3.32Å; S49-C52 PolarHBondContact O-N 3.35Å; S49-C52 WeakPolarHBondContact OG-CB 3.49Å; H50-C52 VanDerWaalsContact C-N 3.27Å; H50-C52 PolarHBondContact O-N 2.98Å; C52-K55 PolarHBondContact O-N 3.04Å; C52-I56 VanDerWaalsContact O-CG1 3.31Å; C52-I56 WeakPolarHBondContact O-CG1 3.32Å; C52-I56 PolarHBondContact O-N 2.73Å
53V98.1Very high97.1Very high0 Ų071.3 Ų71.30%036%0.363CS..Hα-helixtrans-56.6-53.3173.71780000110.7I29 P39 I42 V48 S49 H50 K55 I56 L57I29-V53 HydrophobicContact CD1-CG2 4.21Å; I29-V53 HydrophobicContact CG1-CG2 4.47Å; I29-V53 HydrophobicContact CG2-CG1 4Å; P39-V53 HydrophobicContact CB-CG1 4.16Å; I42-V53 HydrophobicContact CB-CG1 4.3Å; I42-V53 HydrophobicContact CG2-CG1 3.98Å; I42-V53 HydrophobicContact CG2-CG2 4.43Å; V48-V53 HydrophobicContact CB-CG2 4.12Å; V48-V53 HydrophobicContact CG1-CG2 3.9Å; S49-V53 PolarHBondContact O-N 3.14Å; S49-V53 VanDerWaalsContact O-N 3.13Å; H50-V53 PolarHBondContact O-N 3.21Å; V53-K55 PolarHBondContact O-N 3.25Å; V53-I56 PolarHBondContact O-N 3.26Å; V53-I56 VanDerWaalsContact O-N 3.1Å; V53-L57 HydrophobicContact CG1-CD1 4.01Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.91Å
54S97.9Very high96.9Very high64 Ų6473.2 Ų73.245%0.44838%0.384SS..Hα-helixtrans-55.6-47.3177.4171.30000112.4H50 I56 L57 A58H50-S54 WeakPolarHBondContact O-CB 3.12Å; H50-S54 PolarHBondContact O-N 3.44Å; S54-I56 VanDerWaalsContact C-N 3.25Å; S54-I56 PolarHBondContact O-N 3.1Å; S54-L57 PolarHBondContact O-N 3.49Å; S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 2.82Å
55K97.3Very high96.7Very high148 Ų14868 Ų6864%0.64337%0.371SS*.Hα-helixtrans-65.8-22.9178.6-172.6175.4-63-177.10114G51 C52 V53G51-K55 WeakPolarHBondContact O-CB 3.38Å; G51-K55 PolarHBondContact O-N 2.89Å; C52-K55 PolarHBondContact O-N 3.04Å; V53-K55 PolarHBondContact O-N 3.25Å
56I97.3Very high96.5Very high5 Ų564 Ų643%0.02635%0.353CS..Hα-helixtrans-79.9-47.3173.7-72165.9000110.3L21 R26 I29 V30 C52 V53 S54 R59 Y60L21-I56 HydrophobicContact CD2-CD1 3.78Å; R26-I56 HydrophobicContact CG-CD1 4.06Å; I29-I56 HydrophobicContact CB-CG2 4.31Å; I29-I56 HydrophobicContact CD1-CD1 3.56Å; I29-I56 HydrophobicContact CG2-CB 4.17Å; I29-I56 HydrophobicContact CG2-CG2 3.75Å; V30-I56 HydrophobicContact CG2-CG2 4.32Å; C52-I56 VanDerWaalsContact O-CG1 3.31Å; C52-I56 WeakPolarHBondContact O-CG1 3.32Å; C52-I56 PolarHBondContact O-N 2.73Å; V53-I56 PolarHBondContact O-N 3.26Å; V53-I56 VanDerWaalsContact O-N 3.1Å; S54-I56 VanDerWaalsContact C-N 3.25Å; S54-I56 PolarHBondContact O-N 3.1Å; I56-R59 PolarHBondContact O-N 2.88Å; I56-Y60 WeakPolarHBondContact O-CB 3.5Å; I56-Y60 PolarHBondContact O-N 2.89Å
57L97.7Very high96.3Very high21 Ų2166.5 Ų66.511%0.1137%0.366CS..Hα-helixtrans-65.3-39.8179.4-64.1176.8000112.2I29 V30 A33 P39 V53 S54 Y60 N61I29-L57 HydrophobicContact CG2-CD2 3.81Å; I29-L57 HydrophobicContact CG2-CG 3.95Å; V30-L57 HydrophobicContact CG2-CD2 4.25Å; A33-L57 HydrophobicContact CB-CD1 4.02Å; A33-L57 HydrophobicContact CB-CD2 3.52Å; A33-L57 HydrophobicContact CB-CG 4.44Å; P39-L57 HydrophobicContact CB-CD1 4.28Å; P39-L57 HydrophobicContact CG-CD1 3.95Å; V53-L57 HydrophobicContact CG1-CD1 4.01Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.91Å; S54-L57 PolarHBondContact O-N 3.49Å; L57-Y60 PolarHBondContact O-N 3.34Å; L57-N61 PolarHBondContact O-N 3.15Å; L57-N61 PolarHBondContact O-OD1 2.88Å
58A97Very high96Very high38 Ų3862.1 Ų62.131%0.31436%0.355SS..Hα-helixtrans-56.8-54.6174.200000111.6S54 Y60 N61 E62S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 2.82Å; A58-Y60 VanDerWaalsContact C-N 3.28Å; A58-Y60 PolarHBondContact O-N 2.99Å; A58-N61 PolarHBondContact O-N 3.44Å; A58-N61 VanDerWaalsContact O-N 3.14Å; A58-E62 WeakPolarHBondContact O-CB 3.37Å; A58-E62 VanDerWaalsContact O-CG 3.25Å; A58-E62 WeakPolarHBondContact O-CG 3.24Å; A58-E62 PolarHBondContact O-N 3.28Å
59R96.3Very high95.5Very high74 Ų7463.7 Ų63.728%0.27937%0.374SS..Hα-helixtrans-57.8-40.5175.8178.9-179.7-59.2149.99.5112.3I56 N61 E62 T63 L67I56-R59 PolarHBondContact O-N 2.88Å; R59-N61 VanDerWaalsContact C-N 3.33Å; R59-E62 PolarHBondContact O-N 3.14Å; R59-T63 WeakPolarHBondContact CG-OG1 3.43Å; R59-T63 WeakPolarHBondContact O-CB 3.5Å; R59-T63 PolarHBondContact O-N 2.92Å; R59-T63 PolarHBondContact O-OG1 3.27Å; R59-L67 PolarHBondContact NH1-O 3.05Å
60Y97Very high95Very high67 Ų6765.9 Ų65.926%0.26340%0.395SS..Hα-helixtrans-63.5-42.1179.8-176.7-99.6000111.1V30 Q34 I56 L57 A58 G64 I66V30-Y60 HydrophobicContact CG1-CD1 3.74Å; V30-Y60 HydrophobicContact CG1-CD2 3.99Å; V30-Y60 HydrophobicContact CG1-CE1 3.53Å; V30-Y60 HydrophobicContact CG1-CE2 3.81Å; V30-Y60 HydrophobicContact CG1-CG 3.96Å; V30-Y60 HydrophobicContact CG2-CD1 4.24Å; V30-Y60 HydrophobicContact CG2-CD2 3.95Å; V30-Y60 HydrophobicContact CG2-CG 3.78Å; Q34-Y60 PolarHBondContact NE2-OH 2.91Å; Q34-Y60 VanDerWaalsContact NE2-OH 3.09Å; I56-Y60 WeakPolarHBondContact O-CB 3.5Å; I56-Y60 PolarHBondContact O-N 2.89Å; L57-Y60 PolarHBondContact O-N 3.34Å; A58-Y60 VanDerWaalsContact C-N 3.28Å; A58-Y60 PolarHBondContact O-N 2.99Å; Y60-G64 WeakPolarHBondContact CD2-O 3.27Å; Y60-G64 WeakPolarHBondContact CE2-O 3.49Å; Y60-G64 WeakPolarHBondContact O-CA 3.25Å; Y60-G64 PolarHBondContact O-N 2.9Å; Y60-I66 HydrophobicContact CD2-CG2 3.8Å; Y60-I66 HydrophobicContact CE2-CG2 4.07Å
61N96.2Very high94Very high134 Ų13466.8 Ų66.872%0.71740%0.403SS*.Hα-helixtrans-69.3-32.9175.7-63.2-8.5000112.6L57 A58 R59L57-N61 PolarHBondContact O-N 3.15Å; L57-N61 PolarHBondContact O-OD1 2.88Å; A58-N61 PolarHBondContact O-N 3.44Å; A58-N61 VanDerWaalsContact O-N 3.14Å; R59-N61 VanDerWaalsContact C-N 3.33Å
62E95.1Very high92.9Very high148 Ų14867.8 Ų67.869%0.69241%0.413SS*.Hα-helixtrans-74.7-32.8177.3-71.1160-166.900113.9A58 R59A58-E62 WeakPolarHBondContact O-CB 3.37Å; A58-E62 VanDerWaalsContact O-CG 3.25Å; A58-E62 WeakPolarHBondContact O-CG 3.24Å; A58-E62 PolarHBondContact O-N 3.28Å; R59-E62 PolarHBondContact O-N 3.14Å
63T94.9Very high92Very high87 Ų8770 Ų7053%0.53444%0.442SS..Hα-helixtrans-139.9-6.6-163.567.70000115.7R59 S65R59-T63 WeakPolarHBondContact CG-OG1 3.43Å; R59-T63 WeakPolarHBondContact O-CB 3.5Å; R59-T63 PolarHBondContact O-N 2.92Å; R59-T63 PolarHBondContact O-OG1 3.27Å; T63-S65 PolarHBondContact O-N 3.34Å; T63-S65 WeakPolarHBondContact OG1-CB 3.33Å; T63-S65 PolarHBondContact OG1-N 2.94Å
64G94.2Very high91Very high47 Ų4775.2 Ų75.249%0.48548%0.479SS..SBendtrans65.2-3.6-168.300000115Y60Y60-G64 WeakPolarHBondContact CD2-O 3.27Å; Y60-G64 WeakPolarHBondContact CE2-O 3.49Å; Y60-G64 WeakPolarHBondContact O-CA 3.25Å; Y60-G64 PolarHBondContact O-N 2.9Å
65S92.6Very high89.9Confident44 Ų4481.2 Ų81.231%0.30850%0.497SS..  trans-94.6114.5-168-1710000113.1T63 L67T63-S65 PolarHBondContact O-N 3.34Å; T63-S65 WeakPolarHBondContact OG1-CB 3.33Å; T63-S65 PolarHBondContact OG1-N 2.94Å; S65-L67 PolarHBondContact O-N 2.79Å; S65-L67 PolarHBondContact OG-N 2.71Å
66I93.1Very high88.3Confident32 Ų3278.7 Ų78.716%0.16450%0.495CS..  trans-71.8-10.3170.165.586.6000112.9R26 L27 V30 Y60R26-I66 PolarHBondContact NE-O 2.91Å; R26-I66 PolarHBondContact NH2-O 3.31Å; L27-I66 HydrophobicContact CD2-CB 4.45Å; L27-I66 HydrophobicContact CD2-CD1 4.16Å; L27-I66 HydrophobicContact CD2-CG1 3.85Å; L27-I66 HydrophobicContact CD2-CG2 4.27Å; L27-I66 HydrophobicContact CG-CD1 4.16Å; L27-I66 HydrophobicContact CG-CG1 4.33Å; V30-I66 HydrophobicContact CG2-CG2 4.05Å; Y60-I66 HydrophobicContact CD2-CG2 3.8Å; Y60-I66 HydrophobicContact CE2-CG2 4.07Å
67L93.2Very high86.9Confident91 Ų9190.1 Ų90.148%0.47654%0.538SS..SBendtrans-71.3151.3-174-66174.9000112.7R26 R59 S65R26-L67 PolarHBondContact NH2-O 3.19Å; R26-L67 VanDerWaalsContact NH2-O 3.17Å; R59-L67 PolarHBondContact NH1-O 3.05Å; S65-L67 PolarHBondContact O-N 2.79Å; S65-L67 PolarHBondContact OG-N 2.71Å
68P91.1Very high85.6Confident44 Ų4492 Ų9229%0.28655%0.55SS.*PPolyproline II helixtrans-63.8139.1161.229.4-33.2000109.5P20P20-P68 HydrophobicContact CB-CB 3.59Å; P20-P68 HydrophobicContact CB-CG 4.01Å; P20-P68 HydrophobicContact CG-CB 4.11Å; P20-P68 HydrophobicContact CG-CG 4.12Å
69G87.3Confident84.7Confident43 Ų4392.2 Ų92.244%0.44355%0.548SS..PPolyproline II helixtrans-64.2160.4166.200000110.4I71G69-I71 PolarHBondContact O-N 3.04Å; G69-I71 VanDerWaalsContact O-N 3.16Å
70A85.8Confident84.1Confident109 Ų10991.5 Ų91.590%0.90155%0.552SS**PPolyproline II helixtrans-58.2119.6179.100000111
71I78.9Confident83.6Confident121 Ų12193.7 Ų93.762%0.62157%0.574SS**PPolyproline II helixtrans-99.2121.7177.1-65168.7000108P20 G69P20-I71 HydrophobicContact CB-CD1 4.24Å; P20-I71 HydrophobicContact CG-CD1 4.29Å; G69-I71 PolarHBondContact O-N 3.04Å; G69-I71 VanDerWaalsContact O-N 3.16Å
72G74.3Confident83.3Confident70 Ų7091.4 Ų91.472%0.72257%0.565SS**  trans88.7-179.1-179.700000114.4
73G76.7Confident83.1Confident83 Ų8384.5 Ų84.586%0.85653%0.533SS*.  trans95.7143-167.400000112.3
74S77.9Confident83Confident110 Ų11081.3 Ų81.377%0.76951%0.513SS*.  trans-92.9143.2173.750.40000110.7
75K73.9Confident82.9Confident189 Ų18986.1 Ų86.182%0.82252%0.521SS*.  trans-59.8134.5164.9-67.9-177.6178.9-179.90108.2R77K75-R77 PolarHBondContact O-N 2.89Å
76P64.3Low83Confident95 Ų9587.2 Ų87.262%0.61752%0.521SS*.  trans-64.8105.2-179.125.3-33.3000110.2V78P76-V78 VanDerWaalsContact C-N 3.31Å; P76-V78 PolarHBondContact O-N 2.68Å
77R68.5Low83Confident245 Ų24585.7 Ų85.793%0.92551%0.514SS*.SBendtrans-69.9-23-171.1-63.2-174.770.9-177.12.5114.8K75K75-R77 PolarHBondContact O-N 2.89Å
78V69.8Low83Confident61 Ų6184.9 Ų84.937%0.3750%0.504SS..SBendtrans-131-27.9-173.3-173.30000111.5P76 T80 N116P76-V78 VanDerWaalsContact C-N 3.31Å; P76-V78 PolarHBondContact O-N 2.68Å; V78-T80 PolarHBondContact O-N 2.96Å; V78-N116 WeakPolarHBondContact CG1-O 3.29Å
79T77.5Confident83.1Confident42 Ų4286.2 Ų86.226%0.25851%0.511SS..  trans-85.176.4-178.1-50.50000111.3V84 I126T79-V84 HydrophobicContact CG2-CG2 3.34Å; T79-I126 HydrophobicContact CG2-CD1 3.65Å; T79-I126 HydrophobicContact CG2-CG1 4.1Å
80T84.9Confident83.5Confident60 Ų6085 Ų8537%0.36849%0.494SS..  trans-69150.3173.758.20000111.4V78 T82 V83 V84V78-T80 PolarHBondContact O-N 2.96Å; T80-T82 PolarHBondContact O-N 3.35Å; T80-T82 PolarHBondContact OG1-OG1 3.09Å; T80-V83 PolarHBondContact O-N 3.35Å; T80-V83 WeakPolarHBondContact OG1-CB 3.2Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.47Å; T80-V84 WeakPolarHBondContact O-CG2 3.22Å; T80-V84 PolarHBondContact O-N 3.39Å
81P86.4Confident83.9Confident113 Ų11382.2 Ų82.273%0.73446%0.461SS*.Hα-helixtrans-60.5-30.9179.1-25.335.3000113.8V84 K85P81-V84 PolarHBondContact O-N 3.14Å; P81-K85 PolarHBondContact O-N 3.29Å
82T88.9Confident84.5Confident85 Ų8583.1 Ų83.152%0.52146%0.463SS..Hα-helixtrans-65.5-47176.945.90000111.9T80 V84 K85 H86T80-T82 PolarHBondContact O-N 3.35Å; T80-T82 PolarHBondContact OG1-OG1 3.09Å; T82-V84 VanDerWaalsContact C-N 3.34Å; T82-V84 PolarHBondContact O-N 2.92Å; T82-K85 WeakPolarHBondContact O-CB 3.37Å; T82-K85 PolarHBondContact O-N 3.24Å; T82-K85 VanDerWaalsContact O-N 3.16Å; T82-H86 PolarHBondContact O-N 3.02Å; T82-H86 VanDerWaalsContact O-N 3.16Å; T82-H86 PolarHBondContact O-ND1 3.27Å
83V91.6Very high85.5Confident4 Ų490.3 Ų90.32%0.02447%0.468CS..Hα-helixtrans-63.3-41.2176.31720000110.7T80 K85 H86 I87 L106 V111 C112 P118T80-V83 PolarHBondContact O-N 3.35Å; T80-V83 WeakPolarHBondContact OG1-CB 3.2Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.47Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 3.45Å; V83-H86 PolarHBondContact O-N 3.26Å; V83-I87 HydrophobicContact CG1-CD1 3.79Å; V83-I87 HydrophobicContact CG1-CG1 4.34Å; V83-I87 VanDerWaalsContact O-CG1 3.29Å; V83-I87 WeakPolarHBondContact O-CG1 3.44Å; V83-I87 PolarHBondContact O-N 2.89Å; V83-L106 HydrophobicContact CG1-CD1 4.05Å; V83-L106 HydrophobicContact CG1-CD2 4.22Å; V83-V111 HydrophobicContact CG2-CG1 4.15Å; V83-C112 WeakPolarHBondContact CG2-SG 3.5Å; V83-P118 HydrophobicContact CG1-CG 3.91Å
84V91.9Very high86.3Confident19 Ų1988.7 Ų88.712%0.11544%0.44CS..Hα-helixtrans-61.8-34174.9174.20000112.6T79 T80 P81 T82 R88 I126 K130T79-V84 HydrophobicContact CG2-CG2 3.34Å; T80-V84 WeakPolarHBondContact O-CG2 3.22Å; T80-V84 PolarHBondContact O-N 3.39Å; P81-V84 PolarHBondContact O-N 3.14Å; T82-V84 VanDerWaalsContact C-N 3.34Å; T82-V84 PolarHBondContact O-N 2.92Å; V84-R88 PolarHBondContact O-N 2.98Å; V84-I126 HydrophobicContact CG1-CG2 4.1Å; V84-I126 HydrophobicContact CG2-CD1 4.33Å; V84-I126 HydrophobicContact CG2-CG2 4.21Å; V84-K130 HydrophobicContact CG1-CD 3.61Å
85K92.8Very high87Confident149 Ų14988.5 Ų88.565%0.64844%0.436SS*.Hα-helixtrans-64.5-50.5174.2-170.6-174.1177.1-172.30110.7P81 T82 V83 R88 T89P81-K85 PolarHBondContact O-N 3.29Å; T82-K85 WeakPolarHBondContact O-CB 3.37Å; T82-K85 PolarHBondContact O-N 3.24Å; T82-K85 VanDerWaalsContact O-N 3.16Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 3.45Å; K85-R88 WeakPolarHBondContact O-CB 3.38Å; K85-R88 PolarHBondContact O-N 3.48Å; K85-T89 PolarHBondContact O-N 3.35Å; K85-T89 PolarHBondContact O-OG1 2.82Å
86H93.8Very high87.9Confident66 Ų6681.8 Ų81.831%0.30642%0.421SS..Hα-helixtrans-64.6-43.2-179.2-67.290.1000112.5T82 V83 R88 T89 Y90 L106 V111T82-H86 PolarHBondContact O-N 3.02Å; T82-H86 VanDerWaalsContact O-N 3.16Å; T82-H86 PolarHBondContact O-ND1 3.27Å; V83-H86 PolarHBondContact O-N 3.26Å; H86-R88 PolarHBondContact O-N 2.92Å; H86-T89 PolarHBondContact O-N 3.17Å; H86-Y90 HydrophobicContact CB-CE2 3.8Å; H86-Y90 WeakPolarHBondContact O-CD2 3.48Å; H86-Y90 PolarHBondContact O-N 2.72Å; H86-L106 HydrophobicContact CB-CD2 3.93Å; H86-V111 HydrophobicContact CB-CG1 4.07Å
87I94.1Very high89.4Confident1 Ų177.3 Ų77.31%0.00539%0.392CS..Hα-helixtrans-51.7-43172.7-70.8169.7000111.6V83 K91 I102 L106 P118 I123 I126 L127V83-I87 HydrophobicContact CG1-CD1 3.79Å; V83-I87 HydrophobicContact CG1-CG1 4.34Å; V83-I87 VanDerWaalsContact O-CG1 3.29Å; V83-I87 WeakPolarHBondContact O-CG1 3.44Å; V83-I87 PolarHBondContact O-N 2.89Å; I87-K91 PolarHBondContact O-N 3.2Å; I87-I102 HydrophobicContact CB-CG2 4.35Å; I87-I102 HydrophobicContact CG1-CG2 3.84Å; I87-I102 HydrophobicContact CG2-CG2 4.32Å; I87-L106 HydrophobicContact CD1-CD1 4.19Å; I87-L106 HydrophobicContact CG1-CD1 3.85Å; I87-P118 HydrophobicContact CD1-CG 4.37Å; I87-I123 HydrophobicContact CD1-CG1 4.1Å; I87-I123 HydrophobicContact CG2-CG2 4.27Å; I87-I126 HydrophobicContact CD1-CD1 3.8Å; I87-I126 HydrophobicContact CD1-CG2 4.34Å; I87-I126 HydrophobicContact CG2-CG2 4.01Å; I87-L127 HydrophobicContact CG2-CD2 3.6Å; I87-L127 HydrophobicContact CG2-CG 4.18Å
88R92.1Very high90.7Very high73 Ų7372 Ų7228%0.27538%0.375SS..Hα-helixtrans-67.2-46.6174.8177.9-177.6-78.2-169.5-11.2111.4V84 K85 H86 Y90 K91 Q92 K130V84-R88 PolarHBondContact O-N 2.98Å; K85-R88 WeakPolarHBondContact O-CB 3.38Å; K85-R88 PolarHBondContact O-N 3.48Å; H86-R88 PolarHBondContact O-N 2.92Å; R88-Y90 VanDerWaalsContact C-N 3.35Å; R88-Y90 PolarHBondContact O-N 3.16Å; R88-K91 PolarHBondContact O-N 2.89Å; R88-Q92 VanDerWaalsContact O-CB 3.28Å; R88-Q92 WeakPolarHBondContact O-CB 3.45Å; R88-Q92 PolarHBondContact O-N 3.38Å; R88-K130 PolarHBondContact NH2-O 3.28Å
89T94.3Very high91.9Very high72 Ų7269.7 Ų69.744%0.44236%0.363SS..Hα-helixtrans-58.1-43.3-179.6-60.80000112.3K85 H86 Q92 R93K85-T89 PolarHBondContact O-N 3.35Å; K85-T89 PolarHBondContact O-OG1 2.82Å; H86-T89 PolarHBondContact O-N 3.17Å; T89-Q92 PolarHBondContact O-N 3.34Å; T89-R93 WeakPolarHBondContact O-CB 3.4Å; T89-R93 PolarHBondContact O-N 3.46Å
90Y95.2Very high92.8Very high17 Ų1774.1 Ų74.17%0.06738%0.375CS..Hα-helixtrans-63.6-48.3176-55.2-53.1000111.9H86 R88 Q92 R93 D94 I102 R105 L106 D109H86-Y90 HydrophobicContact CB-CE2 3.8Å; H86-Y90 WeakPolarHBondContact O-CD2 3.48Å; H86-Y90 PolarHBondContact O-N 2.72Å; R88-Y90 VanDerWaalsContact C-N 3.35Å; R88-Y90 PolarHBondContact O-N 3.16Å; Y90-Q92 VanDerWaalsContact C-N 3.25Å; Y90-Q92 PolarHBondContact O-N 3Å; Y90-R93 PolarHBondContact O-N 2.88Å; Y90-D94 PolarHBondContact O-N 2.89Å; Y90-I102 HydrophobicContact CD2-CG2 4.23Å; Y90-R105 HydrophobicContact CE1-CB 4.3Å; Y90-R105 HydrophobicContact CE2-CB 4.4Å; Y90-L106 HydrophobicContact CE2-CD2 3.87Å; Y90-L106 HydrophobicContact CE2-CG 4.04Å; Y90-D109 WeakPolarHBondContact CE1-OD2 3.45Å; Y90-D109 VanDerWaalsContact CZ-OD2 3.26Å; Y90-D109 PolarHBondContact OH-OD2 3.2Å
91K93.6Very high93.4Very high51 Ų5174 Ų7422%0.22237%0.37CS..Hα-helixtrans-70.1-19.9-179.7-164.659.2164.4175.80113.7I87 R88 D94 P95 G96 I97 I102 L127 I131I87-K91 PolarHBondContact O-N 3.2Å; R88-K91 PolarHBondContact O-N 2.89Å; K91-D94 CarbonylContact C-O 3.57Å; K91-D94 WeakPolarHBondContact CA-O 3.19Å; K91-D94 CarbonylContact O-C 3.42Å; K91-P95 VanDerWaalsContact CE-O 3.27Å; K91-P95 WeakPolarHBondContact CE-O 3.43Å; K91-P95 PolarHBondContact NZ-O 3.25Å; K91-G96 VanDerWaalsContact NZ-C 3.35Å; K91-G96 PolarHBondContact NZ-O 3.35Å; K91-I97 HydrophobicContact CB-CG2 4.43Å; K91-I97 HydrophobicContact CD-CG2 3.63Å; K91-I97 PolarHBondContact NZ-O 3.37Å; K91-I102 HydrophobicContact CB-CD1 4.45Å; K91-L127 HydrophobicContact CB-CD2 3.93Å; K91-L127 HydrophobicContact CG-CD2 3.99Å; K91-I131 HydrophobicContact CB-CD1 4.33Å; K91-I131 HydrophobicContact CG-CD1 3.83Å
92Q93.1Very high93.8Very high141 Ų14168.6 Ų68.666%0.65934%0.335SS*.Hα-helixtrans-82.6-36.8173.2-175.6174.6-100112.1R88 T89 Y90 D94R88-Q92 VanDerWaalsContact O-CB 3.28Å; R88-Q92 WeakPolarHBondContact O-CB 3.45Å; R88-Q92 PolarHBondContact O-N 3.38Å; T89-Q92 PolarHBondContact O-N 3.34Å; Y90-Q92 VanDerWaalsContact C-N 3.25Å; Y90-Q92 PolarHBondContact O-N 3Å; Q92-D94 VanDerWaalsContact C-N 3.33Å
93R94.1Very high94.1Very high220 Ų22068.5 Ų68.583%0.8333%0.325SS*.Hα-helixtrans-70.6-32172.9-178.9173.7178.21730.1112.1T89 Y90T89-R93 WeakPolarHBondContact O-CB 3.4Å; T89-R93 PolarHBondContact O-N 3.46Å; Y90-R93 PolarHBondContact O-N 2.88Å
94D93.3Very high94.3Very high50 Ų5070.9 Ų70.927%0.26734%0.338SS..  trans-140.497.6-176.9-179.7-15.6000109.2Y90 K91 Q92 G96 I97 R105Y90-D94 PolarHBondContact O-N 2.89Å; K91-D94 CarbonylContact C-O 3.57Å; K91-D94 WeakPolarHBondContact CA-O 3.19Å; K91-D94 CarbonylContact O-C 3.42Å; Q92-D94 VanDerWaalsContact C-N 3.33Å; D94-G96 PolarHBondContact O-N 3.26Å; D94-G96 WeakPolarHBondContact OD1-CA 3.23Å; D94-G96 PolarHBondContact OD1-N 3.26Å; D94-I97 HydrophobicContact CB-CB 4.11Å; D94-I97 HydrophobicContact CB-CG2 4.25Å; D94-I97 WeakPolarHBondContact O-CG2 3.37Å; D94-I97 PolarHBondContact O-N 3.39Å; D94-I97 PolarHBondContact OD1-N 3Å; D94-R105 IonicContact OD2-NH2 3.73Å
95P92.3Very high94.5Very high106 Ų10674.2 Ų74.269%0.68835%0.348SS*.SBendtrans-67.1-14.8176.4-24.336.1000114.1K91K91-P95 VanDerWaalsContact CE-O 3.27Å; K91-P95 WeakPolarHBondContact CE-O 3.43Å; K91-P95 PolarHBondContact NZ-O 3.25Å
96G93.3Very high94.6Very high48 Ų4867.1 Ų67.150%0.49532%0.317SS..SBendtrans-74.3-48175.100000111.9K91 D94 F98K91-G96 VanDerWaalsContact NZ-C 3.35Å; K91-G96 PolarHBondContact NZ-O 3.35Å; D94-G96 PolarHBondContact O-N 3.26Å; D94-G96 WeakPolarHBondContact OD1-CA 3.23Å; D94-G96 PolarHBondContact OD1-N 3.26Å; G96-F98 PolarHBondContact O-N 3.02Å
97I95.3Very high94.6Very high1 Ų167.5 Ų67.51%0.00532%0.321CS..  trans-37.8125.7-166.9-160.7179.7000115.7K91 D94 E101 I102 R105K91-I97 HydrophobicContact CB-CG2 4.43Å; K91-I97 HydrophobicContact CD-CG2 3.63Å; K91-I97 PolarHBondContact NZ-O 3.37Å; D94-I97 HydrophobicContact CB-CB 4.11Å; D94-I97 HydrophobicContact CB-CG2 4.25Å; D94-I97 WeakPolarHBondContact O-CG2 3.37Å; D94-I97 PolarHBondContact O-N 3.39Å; D94-I97 PolarHBondContact OD1-N 3Å; I97-E101 WeakPolarHBondContact CA-OE2 3.46Å; I97-E101 HydrophobicContact CD1-CB 4Å; I97-E101 HydrophobicContact CG1-CB 3.49Å; I97-E101 VanDerWaalsContact CG1-CB 3.49Å; I97-E101 HydrophobicContact CG1-CG 4.43Å; I97-E101 WeakPolarHBondContact CG1-OE2 3.48Å; I97-I102 HydrophobicContact CD1-CG1 3.84Å; I97-I102 HydrophobicContact CG1-CG1 4.07Å; I97-I102 HydrophobicContact CG2-CD1 3.96Å; I97-I102 HydrophobicContact CG2-CG1 3.86Å; I97-R105 VanDerWaalsContact CD1-CZ 3.4Å
98F95.8Very high94.6Very high132 Ų13271.3 Ų71.358%0.57935%0.353SS*.  trans-76.8159.6-179.9-66.8-77.4000112.3G96 W100 E101 I102G96-F98 PolarHBondContact O-N 3.02Å; F98-W100 HydrophobicContact CB-CG 4.36Å; F98-W100 AromaticContact CG-NE1 3.87Å; F98-W100 PolarHBondContact O-N 3.43Å; F98-E101 HydrophobicContact CB-CG 4.39Å; F98-E101 WeakPolarHBondContact CD2-OE2 3.36Å; F98-E101 PolarHBondContact N-OE2 3.01Å; F98-E101 PolarHBondContact O-N 3.31Å; F98-I102 WeakPolarHBondContact O-CG1 3.49Å; F98-I102 PolarHBondContact O-N 3.1Å
99A96.1Very high94.7Very high13 Ų1372.5 Ų72.511%0.10737%0.365CS..Hα-helixtrans-67.3-15.3-17900000114.2R103 V120 I123 S124 L127A99-R103 PolarHBondContact O-N 2.97Å; A99-V120 HydrophobicContact CB-CG1 3.72Å; A99-I123 HydrophobicContact CB-CB 4.28Å; A99-I123 HydrophobicContact CB-CG2 3.87Å; A99-I123 WeakPolarHBondContact O-CD1 3.3Å; A99-S124 VanDerWaalsContact CB-OG 3.32Å; A99-S124 WeakPolarHBondContact CB-OG 3.31Å; A99-L127 HydrophobicContact CB-CD1 4.45Å
100W95.9Very high94.5Very high136 Ų13672.1 Ų72.152%0.51538%0.375SS..Hα-helixtrans-83.4-42.8171.267.3-94.2000111.4F98 I102 R103 D104 V120F98-W100 HydrophobicContact CB-CG 4.36Å; F98-W100 AromaticContact CG-NE1 3.87Å; F98-W100 PolarHBondContact O-N 3.43Å; W100-I102 VanDerWaalsContact C-N 3.31Å; W100-I102 PolarHBondContact O-N 3.04Å; W100-R103 WeakPolarHBondContact O-CA 3.47Å; W100-R103 WeakPolarHBondContact O-CB 3.42Å; W100-R103 PolarHBondContact O-N 3.5Å; W100-D104 PolarHBondContact O-N 2.9Å; W100-V120 HydrophobicContact CB-CG2 4.26Å
101E96.9Very high94.3Very high56 Ų5672.9 Ų72.926%0.26238%0.382SS..Hα-helixtrans-61.3-38.8173.9-62.9170.8135.800111.8I97 F98 R103 D104 R105I97-E101 WeakPolarHBondContact CA-OE2 3.46Å; I97-E101 HydrophobicContact CD1-CB 4Å; I97-E101 HydrophobicContact CG1-CB 3.49Å; I97-E101 VanDerWaalsContact CG1-CB 3.49Å; I97-E101 HydrophobicContact CG1-CG 4.43Å; I97-E101 WeakPolarHBondContact CG1-OE2 3.48Å; F98-E101 HydrophobicContact CB-CG 4.39Å; F98-E101 WeakPolarHBondContact CD2-OE2 3.36Å; F98-E101 PolarHBondContact N-OE2 3.01Å; F98-E101 PolarHBondContact O-N 3.31Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.16Å; E101-D104 PolarHBondContact O-N 3.19Å; E101-R105 WeakPolarHBondContact O-CG 3.2Å; E101-R105 PolarHBondContact O-N 2.96Å
102I95.8Very high94.1Very high0 Ų070.7 Ų70.70%037%0.373CS..Hα-helixtrans-59.4-42.7170.7-70.6168.7000111.1I87 Y90 K91 I97 F98 W100 D104 L106 I123 L127I87-I102 HydrophobicContact CB-CG2 4.35Å; I87-I102 HydrophobicContact CG1-CG2 3.84Å; I87-I102 HydrophobicContact CG2-CG2 4.32Å; Y90-I102 HydrophobicContact CD2-CG2 4.23Å; K91-I102 HydrophobicContact CB-CD1 4.45Å; I97-I102 HydrophobicContact CD1-CG1 3.84Å; I97-I102 HydrophobicContact CG1-CG1 4.07Å; I97-I102 HydrophobicContact CG2-CD1 3.96Å; I97-I102 HydrophobicContact CG2-CG1 3.86Å; F98-I102 WeakPolarHBondContact O-CG1 3.49Å; F98-I102 PolarHBondContact O-N 3.1Å; W100-I102 VanDerWaalsContact C-N 3.31Å; W100-I102 PolarHBondContact O-N 3.04Å; I102-D104 VanDerWaalsContact C-N 3.3Å; I102-D104 PolarHBondContact O-N 3.09Å; I102-L106 HydrophobicContact CG2-CD1 4.25Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.01Å; I102-L106 PolarHBondContact O-N 3.33Å; I102-I123 HydrophobicContact CB-CG2 4.15Å; I102-I123 HydrophobicContact CD1-CG2 4.24Å; I102-I123 HydrophobicContact CG2-CD1 4.33Å; I102-I123 HydrophobicContact CG2-CG2 3.75Å; I102-L127 HydrophobicContact CD1-CD1 3.87Å; I102-L127 HydrophobicContact CD1-CD2 4.12Å
103R95.3Very high93.9Very high83 Ų8369 Ų6931%0.31337%0.368SS..Hα-helixtrans-61.8-42.6178.2-169.9-160.864.2-172.7-10.1110.5A99 W100 E101 L106 L107 L117 I123A99-R103 PolarHBondContact O-N 2.97Å; W100-R103 WeakPolarHBondContact O-CA 3.47Å; W100-R103 WeakPolarHBondContact O-CB 3.42Å; W100-R103 PolarHBondContact O-N 3.5Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.16Å; R103-L106 WeakPolarHBondContact O-CB 3.3Å; R103-L106 PolarHBondContact O-N 2.71Å; R103-L107 PolarHBondContact O-N 3.02Å; R103-L117 HydrophobicContact CG-CD1 3.82Å; R103-L117 HydrophobicContact CG-CD2 3.64Å; R103-L117 HydrophobicContact CG-CG 3.66Å; R103-I123 HydrophobicContact CB-CD1 3.54Å; R103-I123 HydrophobicContact CG-CD1 4.01Å
104D95.7Very high93.6Very high55 Ų5567.1 Ų67.129%0.29437%0.366SS..Hα-helixtrans-80.2-29.1-172.7-60-15.9000111.2W100 E101 I102 L107 A108W100-D104 PolarHBondContact O-N 2.9Å; E101-D104 PolarHBondContact O-N 3.19Å; I102-D104 VanDerWaalsContact C-N 3.3Å; I102-D104 PolarHBondContact O-N 3.09Å; D104-L107 PolarHBondContact O-N 2.85Å; D104-A108 PolarHBondContact O-N 3.11Å
105R95.8Very high93.2Very high89 Ų8974.4 Ų74.434%0.33640%0.395SS..Hα-helixtrans-67-35.5164.8-69.2-171.9-165.8173.212.7113.2Y90 D94 I97 E101 L107 A108 D109Y90-R105 HydrophobicContact CE1-CB 4.3Å; Y90-R105 HydrophobicContact CE2-CB 4.4Å; D94-R105 IonicContact OD2-NH2 3.73Å; I97-R105 VanDerWaalsContact CD1-CZ 3.4Å; E101-R105 WeakPolarHBondContact O-CG 3.2Å; E101-R105 PolarHBondContact O-N 2.96Å; R105-L107 VanDerWaalsContact C-N 3.26Å; R105-L107 PolarHBondContact O-N 3.17Å; R105-A108 PolarHBondContact O-N 3.14Å; R105-D109 WeakPolarHBondContact O-CB 3Å; R105-D109 PolarHBondContact O-N 3.42Å
106L94.6Very high93Very high0 Ų072.3 Ų72.30%038%0.378CS..Hα-helixtrans-62.6-31.6173.9-76167.2000112.8V83 H86 I87 Y90 I102 R103 V111 C112 L117 P118 I123V83-L106 HydrophobicContact CG1-CD1 4.05Å; V83-L106 HydrophobicContact CG1-CD2 4.22Å; H86-L106 HydrophobicContact CB-CD2 3.93Å; I87-L106 HydrophobicContact CD1-CD1 4.19Å; I87-L106 HydrophobicContact CG1-CD1 3.85Å; Y90-L106 HydrophobicContact CE2-CD2 3.87Å; Y90-L106 HydrophobicContact CE2-CG 4.04Å; I102-L106 HydrophobicContact CG2-CD1 4.25Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.01Å; I102-L106 PolarHBondContact O-N 3.33Å; R103-L106 WeakPolarHBondContact O-CB 3.3Å; R103-L106 PolarHBondContact O-N 2.71Å; L106-V111 HydrophobicContact CD2-CB 3.81Å; L106-V111 HydrophobicContact CD2-CG1 3.59Å; L106-V111 PolarHBondContact O-N 2.9Å; L106-C112 HydrophobicContact CB-CB 4.21Å; L106-C112 PolarHBondContact O-N 3.36Å; L106-L117 HydrophobicContact CB-CD1 4.12Å; L106-P118 HydrophobicContact CD1-CG 4.07Å; L106-I123 HydrophobicContact CD1-CD1 4.45Å
107L94.1Very high92.8Very high73 Ų7371.8 Ų71.838%0.38236%0.364SS..Hα-helixtrans-72.3-49.3169.9-73.7171000111.4R103 D104 R105 D109 G110 L117R103-L107 PolarHBondContact O-N 3.02Å; D104-L107 PolarHBondContact O-N 2.85Å; R105-L107 VanDerWaalsContact C-N 3.26Å; R105-L107 PolarHBondContact O-N 3.17Å; L107-D109 PolarHBondContact O-N 2.97Å; L107-G110 PolarHBondContact O-N 3.03Å; L107-G110 VanDerWaalsContact O-N 3.13Å; L107-L117 HydrophobicContact CD1-CD2 3.78Å; L107-L117 HydrophobicContact CD2-CD1 4.02Å; L107-L117 HydrophobicContact CD2-CD2 3.98Å; L107-L117 HydrophobicContact CD2-CG 4.5Å; L107-L117 HydrophobicContact CG-CD1 3.79Å; L107-L117 HydrophobicContact CG-CD2 3.86Å; L107-L117 HydrophobicContact CG-CG 4.45Å
108A94.8Very high92.6Very high82 Ų8271.9 Ų71.968%0.67837%0.365SS*.Hα-helixtrans-63.1-39.6-175.300000113.3D104 R105 G110D104-A108 PolarHBondContact O-N 3.11Å; R105-A108 PolarHBondContact O-N 3.14Å; A108-G110 PolarHBondContact O-N 3.07Å
109D92.8Very high92.5Very high98 Ų9869.1 Ų69.152%0.52436%0.362SS..THydrogen-bonded Turntrans-80.83.4178.3-67.23.2000112.7Y90 R105 L107 V111Y90-D109 WeakPolarHBondContact CE1-OD2 3.45Å; Y90-D109 VanDerWaalsContact CZ-OD2 3.26Å; Y90-D109 PolarHBondContact OH-OD2 3.2Å; R105-D109 WeakPolarHBondContact O-CB 3Å; R105-D109 PolarHBondContact O-N 3.42Å; L107-D109 PolarHBondContact O-N 2.97Å; D109-V111 HydrophobicContact CB-CG2 3.87Å; D109-V111 PolarHBondContact O-N 3.29Å
110G90.8Very high92.4Very high63 Ų6370.9 Ų70.965%0.64937%0.371SS*.THydrogen-bonded Turntrans66.915.4-179.300000115L107 A108L107-G110 PolarHBondContact O-N 3.03Å; L107-G110 VanDerWaalsContact O-N 3.13Å; A108-G110 PolarHBondContact O-N 3.07Å
111V90.5Very high92.3Very high34 Ų3468.6 Ų68.621%0.20638%0.376CS..SBendtrans-77.7-24.9-178.5-1770000111.6V83 H86 L106 D109V83-V111 HydrophobicContact CG2-CG1 4.15Å; H86-V111 HydrophobicContact CB-CG1 4.07Å; L106-V111 HydrophobicContact CD2-CB 3.81Å; L106-V111 HydrophobicContact CD2-CG1 3.59Å; L106-V111 PolarHBondContact O-N 2.9Å; D109-V111 HydrophobicContact CB-CG2 3.87Å; D109-V111 PolarHBondContact O-N 3.29Å
112C90Very high92.1Very high5 Ų567.3 Ų67.33%0.03437%0.373CS..  trans-134.9144.8173.5-76.10000112.1V83 L106 N116 L117V83-C112 WeakPolarHBondContact CG2-SG 3.5Å; L106-C112 HydrophobicContact CB-CB 4.21Å; L106-C112 PolarHBondContact O-N 3.36Å; C112-N116 WeakPolarHBondContact CA-OD1 3.41Å; C112-N116 WeakPolarHBondContact CB-OD1 3.27Å; C112-L117 HydrophobicContact CB-CB 4.27Å; C112-L117 HydrophobicContact CB-CD1 3.52Å
113D89.8Confident92Very high105 Ų10567.3 Ų67.356%0.56137%0.373SS*.  trans-91.9161.7163.6-52.4-81.3000110.6F115 N116 L117D113-F115 PolarHBondContact O-N 3.08Å; D113-N116 PolarHBondContact N-OD1 3.46Å; D113-N116 PolarHBondContact O-N 2.87Å; D113-N116 PolarHBondContact O-OD1 3.13Å; D113-N116 PolarHBondContact OD2-ND2 3Å; D113-L117 WeakPolarHBondContact O-CB 3.5Å; D113-L117 PolarHBondContact O-N 2.84Å
114K86.8Confident91.9Very high181 Ų18164.6 Ų64.679%0.78737%0.367SS*.THydrogen-bonded Turntrans-50.4-23.8176.4-165.5177.2-178.8-178.30114.8
115F85.7Confident91.7Very high202 Ų20269.8 Ų69.889%0.88638%0.383SS*.THydrogen-bonded Turntrans-95.4-20.9179.9-60.1-74.6000115.3D113D113-F115 PolarHBondContact O-N 3.08Å
116N86.4Confident91.5Very high62 Ų6266.6 Ų66.633%0.33237%0.372SS..THydrogen-bonded Turntrans-111.8-0.6177.963.847.3000113.2V78 C112 D113V78-N116 WeakPolarHBondContact CG1-O 3.29Å; C112-N116 WeakPolarHBondContact CA-OD1 3.41Å; C112-N116 WeakPolarHBondContact CB-OD1 3.27Å; D113-N116 PolarHBondContact N-OD1 3.46Å; D113-N116 PolarHBondContact O-N 2.87Å; D113-N116 PolarHBondContact O-OD1 3.13Å; D113-N116 PolarHBondContact OD2-ND2 3Å
117L90.1Very high91.3Very high37 Ų3767.8 Ų67.819%0.19438%0.378CS..PPolyproline II helixtrans-58.2121.2174.2-16768000112.2R103 L106 L107 C112 D113R103-L117 HydrophobicContact CG-CD1 3.82Å; R103-L117 HydrophobicContact CG-CD2 3.64Å; R103-L117 HydrophobicContact CG-CG 3.66Å; L106-L117 HydrophobicContact CB-CD1 4.12Å; L107-L117 HydrophobicContact CD1-CD2 3.78Å; L107-L117 HydrophobicContact CD2-CD1 4.02Å; L107-L117 HydrophobicContact CD2-CD2 3.98Å; L107-L117 HydrophobicContact CD2-CG 4.5Å; L107-L117 HydrophobicContact CG-CD1 3.79Å; L107-L117 HydrophobicContact CG-CD2 3.86Å; L107-L117 HydrophobicContact CG-CG 4.45Å; C112-L117 HydrophobicContact CB-CB 4.27Å; C112-L117 HydrophobicContact CB-CD1 3.52Å; D113-L117 WeakPolarHBondContact O-CB 3.5Å; D113-L117 PolarHBondContact O-N 2.84Å
118P91.3Very high91Very high3 Ų372.5 Ų72.52%0.01939%0.391CS..PPolyproline II helixtrans-69.1141.3175.628.1-34.6000111.5V83 I87 L106 I123V83-P118 HydrophobicContact CG1-CG 3.91Å; I87-P118 HydrophobicContact CD1-CG 4.37Å; L106-P118 HydrophobicContact CD1-CG 4.07Å; P118-I123 HydrophobicContact CB-CG1 4.06Å; P118-I123 HydrophobicContact CG-CD1 4.12Å; P118-I123 HydrophobicContact CG-CG1 3.78Å
119S92.8Very high90.3Very high74 Ų7474 Ų7452%0.51739%0.387SS..PPolyproline II helixtrans-63.3155.3174.770.30000112.1S121 S122 I123S119-S121 PolarHBondContact O-N 3.07Å; S119-S121 VanDerWaalsContact O-N 3.14Å; S119-S122 CarbonylContact O-C 3.57Å; S119-S122 WeakPolarHBondContact O-CA 3.42Å; S119-S122 VanDerWaalsContact O-CB 3.27Å; S119-S122 WeakPolarHBondContact O-CB 3.29Å; S119-S122 PolarHBondContact O-N 3.2Å; S119-S122 WeakPolarHBondContact OG-CB 3.34Å; S119-S122 PolarHBondContact OG-N 2.9Å; S119-I123 PolarHBondContact O-N 3.18Å
120V94.4Very high89Confident51 Ų5174.1 Ų74.131%0.30938%0.383SS..Hα-helixtrans-55.9-34.5179.7-177.70000112A99 W100 S124A99-V120 HydrophobicContact CB-CG1 3.72Å; W100-V120 HydrophobicContact CB-CG2 4.26Å; V120-S124 WeakPolarHBondContact O-CB 3.41Å; V120-S124 PolarHBondContact O-N 3.45Å; V120-S124 PolarHBondContact O-OG 3.44Å
121S94.1Very high87.6Confident87 Ų8774.2 Ų74.261%0.60837%0.368SS*.Hα-helixtrans-69-40.1172.8-176.20000112.7S119 S124 R125S119-S121 PolarHBondContact O-N 3.07Å; S119-S121 VanDerWaalsContact O-N 3.14Å; S121-S124 PolarHBondContact O-N 3.37Å; S121-R125 WeakPolarHBondContact O-CB 3.5Å; S121-R125 PolarHBondContact O-N 3.11Å
122S91.9Very high85.9Confident29 Ų2975.1 Ų75.120%0.20338%0.384CS..Hα-helixtrans-61.8-47.6173.3-173.60000111.5S119 S124 R125 I126S119-S122 CarbonylContact O-C 3.57Å; S119-S122 WeakPolarHBondContact O-CA 3.42Å; S119-S122 VanDerWaalsContact O-CB 3.27Å; S119-S122 WeakPolarHBondContact O-CB 3.29Å; S119-S122 PolarHBondContact O-N 3.2Å; S119-S122 WeakPolarHBondContact OG-CB 3.34Å; S119-S122 PolarHBondContact OG-N 2.9Å; S122-S124 VanDerWaalsContact C-N 3.35Å; S122-S124 PolarHBondContact O-N 3.35Å; S122-R125 WeakPolarHBondContact O-CB 3.34Å; S122-R125 PolarHBondContact O-N 2.71Å; S122-R125 VanDerWaalsContact O-N 3.15Å; S122-I126 VanDerWaalsContact O-CG1 3.32Å; S122-I126 WeakPolarHBondContact O-CG1 3.29Å; S122-I126 PolarHBondContact O-N 3.24Å
123I93.8Very high84Confident0 Ų080 Ų800%041%0.41CS..Hα-helixtrans-56.9-49.9173.9-64.4167.3000109.7I87 A99 I102 R103 L106 P118 S119 R125 I126 L127I87-I123 HydrophobicContact CD1-CG1 4.1Å; I87-I123 HydrophobicContact CG2-CG2 4.27Å; A99-I123 HydrophobicContact CB-CB 4.28Å; A99-I123 HydrophobicContact CB-CG2 3.87Å; A99-I123 WeakPolarHBondContact O-CD1 3.3Å; I102-I123 HydrophobicContact CB-CG2 4.15Å; I102-I123 HydrophobicContact CD1-CG2 4.24Å; I102-I123 HydrophobicContact CG2-CD1 4.33Å; I102-I123 HydrophobicContact CG2-CG2 3.75Å; R103-I123 HydrophobicContact CB-CD1 3.54Å; R103-I123 HydrophobicContact CG-CD1 4.01Å; L106-I123 HydrophobicContact CD1-CD1 4.45Å; P118-I123 HydrophobicContact CB-CG1 4.06Å; P118-I123 HydrophobicContact CG-CD1 4.12Å; P118-I123 HydrophobicContact CG-CG1 3.78Å; S119-I123 PolarHBondContact O-N 3.18Å; I123-R125 VanDerWaalsContact C-N 3.27Å; I123-R125 PolarHBondContact O-N 2.83Å; I123-I126 WeakPolarHBondContact O-CB 3.36Å; I123-I126 PolarHBondContact O-N 3.26Å; I123-L127 HydrophobicContact CG2-CD1 4.09Å; I123-L127 HydrophobicContact CG2-CG 4.32Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.25Å; I123-L127 PolarHBondContact O-N 3.29Å
124S94.1Very high82.2Confident27 Ų2777.2 Ų77.219%0.18940%0.395CS..Hα-helixtrans-58.6-35.7178.2-58.90000113.2A99 V120 S121 S122 R128A99-S124 VanDerWaalsContact CB-OG 3.32Å; A99-S124 WeakPolarHBondContact CB-OG 3.31Å; V120-S124 WeakPolarHBondContact O-CB 3.41Å; V120-S124 PolarHBondContact O-N 3.45Å; V120-S124 PolarHBondContact O-OG 3.44Å; S121-S124 PolarHBondContact O-N 3.37Å; S122-S124 VanDerWaalsContact C-N 3.35Å; S122-S124 PolarHBondContact O-N 3.35Å; S124-R128 WeakPolarHBondContact O-CG 3.47Å; S124-R128 PolarHBondContact O-N 3.25Å; S124-R128 VanDerWaalsContact O-N 3.1Å
125R91.6Very high80.4Confident164 Ų16472 Ų7262%0.61939%0.386SS*.Hα-helixtrans-70-41173.3-174.5179.5-179176.82.4112S121 S122 I123 L127 R128 N129S121-R125 WeakPolarHBondContact O-CB 3.5Å; S121-R125 PolarHBondContact O-N 3.11Å; S122-R125 WeakPolarHBondContact O-CB 3.34Å; S122-R125 PolarHBondContact O-N 2.71Å; S122-R125 VanDerWaalsContact O-N 3.15Å; I123-R125 VanDerWaalsContact C-N 3.27Å; I123-R125 PolarHBondContact O-N 2.83Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-R128 PolarHBondContact O-N 2.61Å; R125-N129 VanDerWaalsContact O-CB 3.24Å; R125-N129 WeakPolarHBondContact O-CB 3.37Å; R125-N129 PolarHBondContact O-N 3.19Å; R125-N129 PolarHBondContact O-OD1 3.01Å
126I91.2Very high78.4Confident22 Ų2269.1 Ų69.111%0.11338%0.375CS..Hα-helixtrans-61.7-43.9175.9-67.8159.8000110.4T79 V84 I87 S122 I123 K130T79-I126 HydrophobicContact CG2-CD1 3.65Å; T79-I126 HydrophobicContact CG2-CG1 4.1Å; V84-I126 HydrophobicContact CG1-CG2 4.1Å; V84-I126 HydrophobicContact CG2-CD1 4.33Å; V84-I126 HydrophobicContact CG2-CG2 4.21Å; I87-I126 HydrophobicContact CD1-CD1 3.8Å; I87-I126 HydrophobicContact CD1-CG2 4.34Å; I87-I126 HydrophobicContact CG2-CG2 4.01Å; S122-I126 VanDerWaalsContact O-CG1 3.32Å; S122-I126 WeakPolarHBondContact O-CG1 3.29Å; S122-I126 PolarHBondContact O-N 3.24Å; I123-I126 WeakPolarHBondContact O-CB 3.36Å; I123-I126 PolarHBondContact O-N 3.26Å; I126-K130 WeakPolarHBondContact O-CB 3.13Å; I126-K130 PolarHBondContact O-N 2.98Å; I126-K130 VanDerWaalsContact O-N 3.14Å
127L90.9Very high76.3Confident24 Ų2470.4 Ų70.413%0.12638%0.379CS..Hα-helixtrans-59-57.4175.7-65.3174.2000110.8I87 K91 A99 I102 I123 R125 N129 K130 I131I87-L127 HydrophobicContact CG2-CD2 3.6Å; I87-L127 HydrophobicContact CG2-CG 4.18Å; K91-L127 HydrophobicContact CB-CD2 3.93Å; K91-L127 HydrophobicContact CG-CD2 3.99Å; A99-L127 HydrophobicContact CB-CD1 4.45Å; I102-L127 HydrophobicContact CD1-CD1 3.87Å; I102-L127 HydrophobicContact CD1-CD2 4.12Å; I123-L127 HydrophobicContact CG2-CD1 4.09Å; I123-L127 HydrophobicContact CG2-CG 4.32Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.25Å; I123-L127 PolarHBondContact O-N 3.29Å; R125-L127 VanDerWaalsContact C-N 3.34Å; L127-N129 PolarHBondContact O-N 3.5Å; L127-K130 PolarHBondContact O-N 3.45Å; L127-I131 HydrophobicContact CB-CD1 4.06Å; L127-I131 HydrophobicContact CD2-CD1 3.61Å; L127-I131 HydrophobicContact CG-CD1 4.45Å; L127-I131 VanDerWaalsContact O-CB 3.26Å; L127-I131 WeakPolarHBondContact O-CB 3.43Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.17Å; L127-I131 PolarHBondContact O-N 3.4Å
128R87.9Confident73.8Confident172 Ų17274 Ų7465%0.64941%0.407SS*.Hα-helixtrans-57.8-50.2-179.9-71.4-171.4-62.2-97.54.8112.5S124 R125 K130S124-R128 WeakPolarHBondContact O-CG 3.47Å; S124-R128 PolarHBondContact O-N 3.25Å; S124-R128 VanDerWaalsContact O-N 3.1Å; R125-R128 PolarHBondContact O-N 2.61Å; R128-K130 VanDerWaalsContact C-N 3.27Å; R128-K130 PolarHBondContact O-N 3.42Å
129N79.8Confident71.2Confident113 Ų11381.8 Ų81.860%0.60444%0.443SS*.Hα-helixtrans-71.1-15.9-174.4-72.228.8000114.3R125 L127R125-N129 VanDerWaalsContact O-CB 3.24Å; R125-N129 WeakPolarHBondContact O-CB 3.37Å; R125-N129 PolarHBondContact O-N 3.19Å; R125-N129 PolarHBondContact O-OD1 3.01Å; L127-N129 PolarHBondContact O-N 3.5Å
130K65.9Low68.6Low102 Ų10285.5 Ų85.544%0.44345%0.447SS..Hα-helixtrans-132.72.7-167.7-137.5170.8-172.9-75.50115.3V84 R88 I126 L127 R128V84-K130 HydrophobicContact CG1-CD 3.61Å; R88-K130 PolarHBondContact NH2-O 3.28Å; I126-K130 WeakPolarHBondContact O-CB 3.13Å; I126-K130 PolarHBondContact O-N 2.98Å; I126-K130 VanDerWaalsContact O-N 3.14Å; L127-K130 PolarHBondContact O-N 3.45Å; R128-K130 VanDerWaalsContact C-N 3.27Å; R128-K130 PolarHBondContact O-N 3.42Å
131I60.7Low65.7Low65 Ų6591.6 Ų91.633%0.33347%0.472SS..Hα-helixtrans-104.1-37.7170.1-63.8175.2000111.4K91 L127 N133 L134 A135K91-I131 HydrophobicContact CB-CD1 4.33Å; K91-I131 HydrophobicContact CG-CD1 3.83Å; L127-I131 HydrophobicContact CB-CD1 4.06Å; L127-I131 HydrophobicContact CD2-CD1 3.61Å; L127-I131 HydrophobicContact CG-CD1 4.45Å; L127-I131 VanDerWaalsContact O-CB 3.26Å; L127-I131 WeakPolarHBondContact O-CB 3.43Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.17Å; L127-I131 PolarHBondContact O-N 3.4Å; I131-N133 PolarHBondContact O-N 2.83Å; I131-N133 VanDerWaalsContact O-N 3.15Å; I131-L134 WeakPolarHBondContact O-CB 3.37Å; I131-L134 PolarHBondContact O-N 3Å; I131-A135 PolarHBondContact O-N 3.1Å
132G54.5Low63.2Low53 Ų5393.4 Ų93.455%0.54649%0.485SS..Hα-helixtrans-56.4-32.517500000113.2
133N49.5Very low60.4Low108 Ų10895.8 Ų95.858%0.57851%0.514SS*.Hα-helixtrans-84.3-5.2176-142.596.7000114.3I131I131-N133 PolarHBondContact O-N 2.83Å; I131-N133 VanDerWaalsContact O-N 3.15Å
134L53.3Low57.8Low46 Ų46105.7 Ų105.724%0.24156%0.557CS.*Hα-helixtrans-93.9-33.3177.5-164.267.1000111.2I131 Q136 Q137I131-L134 WeakPolarHBondContact O-CB 3.37Å; I131-L134 PolarHBondContact O-N 3Å; L134-Q136 PolarHBondContact O-N 2.89Å; L134-Q137 PolarHBondContact O-N 3.35Å
135A48.8Very low55Low72 Ų72113.8 Ų113.860%0.59559%0.592SS**Hα-helixtrans-57.3-33.6174.100000112.8I131I131-A135 PolarHBondContact O-N 3.1Å
136Q44.2Very low52.3Low141 Ų141110.5 Ų110.566%0.65960%0.6SS**THydrogen-bonded Turntrans-77.1-16.9175.6-69.3-172.8-15.400114.2L134L134-Q136 PolarHBondContact O-N 2.89Å
137Q41.2Very low50.2Low89 Ų89115.8 Ų115.842%0.41664%0.635SS.*G310 helixtrans-78.3-25.3179.4-69.3-159.3-100.400113.4L134 Q139 Y140L134-Q137 PolarHBondContact O-N 3.35Å; Q137-Q139 VanDerWaalsContact C-N 3.25Å; Q137-Q139 PolarHBondContact O-N 2.87Å; Q137-Y140 HydrophobicContact CB-CE1 4.03Å; Q137-Y140 HydrophobicContact CG-CE1 4.12Å; Q137-Y140 PolarHBondContact NE2-OH 3.21Å; Q137-Y140 WeakPolarHBondContact O-CE1 3.08Å; Q137-Y140 WeakPolarHBondContact O-CE2 3.36Å; Q137-Y140 VanDerWaalsContact O-CZ 3.27Å
138S37.5Very low47.7Very low111 Ų111122.3 Ų122.378%0.77667%0.665SS**G310 helixtrans-81.93.1179.1-58.10000114.3
139Q36.9Very low45.8Very low168 Ų168119.2 Ų119.279%0.78567%0.667SS**G310 helixtrans-112.84.8-171.8-153.8172.8-1.200114.4Q137Q137-Q139 VanDerWaalsContact C-N 3.25Å; Q137-Q139 PolarHBondContact O-N 2.87Å
140Y39Very low44.3Very low152 Ų152119.2 Ų119.260%0.59667%0.673SS**SBendtrans-106.36.8178.456.5-125.8000115.3Q137Q137-Y140 HydrophobicContact CB-CE1 4.03Å; Q137-Y140 HydrophobicContact CG-CE1 4.12Å; Q137-Y140 PolarHBondContact NE2-OH 3.21Å; Q137-Y140 WeakPolarHBondContact O-CE1 3.08Å; Q137-Y140 WeakPolarHBondContact O-CE2 3.36Å; Q137-Y140 VanDerWaalsContact O-CZ 3.27Å
141E33.5Very low43.6Very low178 Ų178119.3 Ų119.383%0.83268%0.684SS**SBendtrans-123.737.6-176.9-149.5167.9129.900113.8
142S40.1Very low42.4Very low126 Ų126124.6 Ų124.688%0.88171%0.707SS**  trans-154.5113.6160-167.40000110.7
143G34.1Very low41.9Very low78 Ų78127.7 Ų127.780%0.80472%0.718SS**  trans160.378.1-176.100000112.9
144K39Very low41.6Very low209 Ų209127.4 Ų127.491%0.90972%0.724SS**  trans-76.2157.3173.5-75-173.1176.8-178.60111.7
145Q35.3Very low40.9Very low197 Ų197132.7 Ų132.792%0.92175%0.752SS**  trans-53.6140.9-169.6-61.9146.4-61.500115.7
146A35.2Very low40.6Very low95 Ų95135 Ų13579%0.78576%0.761SS**  trans-148.8155.7151.300000109.5
147P46.4Very low40Very low132 Ų132139.6 Ų139.686%0.85777%0.774SS**PPolyproline II helixtrans-96.3165.2-158.5-1.722.7000116.4
148H38.8Very low39.7Very low162 Ų162141.6 Ų141.675%0.7579%0.787SS**PPolyproline II helixtrans-96.8132.9-178.3157.3-67.6000113.3
149P47.7Very low39.7Very low107 Ų107144.4 Ų144.470%0.69579%0.788SS**PPolyproline II helixtrans-100.9156.5160.823.6-7.5000113.6
150P49.1Very low39.7Very low113 Ų113144.2 Ų144.273%0.73479%0.791SS**PPolyproline II helixtrans-85.5169.2-168.335.1-37.9000116
151P50.5Low39.6Very low104 Ų104147.1 Ų147.168%0.67580%0.803SS**  trans-104.7142.6-166.737.8-33.4000116.4
152Q35.5Very low39.5Very low176 Ų176143.2 Ų143.282%0.82280%0.795SS**  trans-176.4169.2153.4-82.7-36.8-70.900108.5
153P44.3Very low39Very low118 Ų118147.2 Ų147.277%0.76679%0.792SS**  cis-119.8-148.8-44.738.2-22.1000110.3
154S43.2Very low39.6Very low101 Ų101149.1 Ų149.171%0.70679%0.79SS**  trans-115.7173.2-165.256.80000116.8
155L37.7Very low39.3Very low158 Ų158143.9 Ų143.983%0.82779%0.786SS**  trans83.6163.5172.4-46.7-178.5000116.2
156P43.8Very low39.3Very low120 Ų120140.1 Ų140.178%0.77978%0.782SS**  -130.5141.5-68.736.5-22000113.1
157Y31.1Very low39.4Very low238 Ų238145.4 Ų145.493%0.93379%0.787SS**PPolyproline II helixtrans-90.1141.7176.2-154.7-94.1000112.5
158N34Very low39.1Very low130 Ų130145.8 Ų145.870%0.69579%0.786SS**PPolyproline II helixtrans-103.4164.4-167.6-148.5-26.4000113.1
159H39.4Very low39.2Very low171 Ų171144.2 Ų144.279%0.79279%0.791SS**PPolyproline II helixtrans-78.3141-173.7-59.2-90000112.7
160L35.8Very low38.9Very low164 Ų164146.5 Ų146.586%0.85980%0.797SS**  trans-146.682.5167.8-156.681000113
161Y36.7Very low38.4Very low213 Ų213146 Ų14684%0.83579%0.794SS**  trans-158149132.9-127.3-88.4000109.6Y163Y161-Y163 HydrophobicContact CE1-CE2 4.41Å
162S31.5Very low38.2Very low96 Ų96147.5 Ų147.567%0.67180%0.804SS**  trans-138.9133-165176.80000112
163Y30.5Very low38.2Very low210 Ų210143 Ų14382%0.82480%0.804SS**  trans-146.4154.6156.5-85.5-69.2000109.6Y161Y161-Y163 HydrophobicContact CE1-CE2 4.41Å
164P45.6Very low38Very low117 Ų117146.3 Ų146.376%0.7681%0.812SS**  trans-94.6150.4-146.535-38000115.8
165A32.7Very low38.1Very low99 Ų99146.5 Ų146.582%0.81881%0.81SS**  trans-104.2109.2163.600000110.2
166S35.9Very low38.4Very low119 Ų119145 Ų14583%0.83281%0.808SS**  trans-75.8144.9167.444.10000110.5
167K38Very low38.3Very low206 Ų206147.5 Ų147.590%0.89681%0.814SS**  trans-91.2139.5-171.1-57.7169.3-174.9173.60110.7
168V39.2Very low38.5Very low139 Ų139142.3 Ų142.384%0.84281%0.81SS**  trans-125.2137165-990000109.8
169P42Very low38.5Very low130 Ų130139.7 Ų139.784%0.84481%0.813SS**  trans-75.5154.3-179.4-15.231.2000113.3
170N40.1Very low38.6Very low155 Ų155139.8 Ų139.883%0.82981%0.813SS**  trans-115.2128.8179-149.7105.3000110.9
171P38.9Very low38.8Very low102 Ų102139 Ų13966%0.66281%0.807SS**  trans-78.4165.6167.833.1-33.8000111.6
172P47Very low38.9Very low136 Ų136133.2 Ų133.288%0.88380%0.804SS**  trans-89.5141.4-174.334-34.3000114
173G35Very low39.5Very low81 Ų81137.7 Ų137.784%0.83582%0.816SS**  trans178.2137.2172.200000114.2
174M39.6Very low40Very low187 Ų187135 Ų13592%0.92181%0.811SS**  trans-86.9170.3172.1-92.5-177.2171.700111.7
175P45.7Very low40.4Very low105 Ų105141.3 Ų141.368%0.68282%0.819SS**  cis-134.9162.7-22.234.8-16.6000115.4
176T43.4Very low40.9Very low128 Ų128142.7 Ų142.779%0.78581%0.811SS**  trans8.7123.1152.959.30000121.9
177L42Very low41Very low171 Ų171148.2 Ų148.290%0.89581%0.814SS**  trans-165.7111.2131-109.2173.7000110.8G179L177-G179 PolarHBondContact O-N 2.9Å
178P35Very low41.8Very low130 Ų130143.7 Ų143.784%0.84481%0.806SS**  trans-86.8101.9-176.232.1-32.7000112.8
179G34.2Very low41.9Very low74 Ų74142 Ų14276%0.76380%0.8SS**  trans-89.4111.6175.900000114.7L177L177-G179 PolarHBondContact O-N 2.9Å
180H41.4Very low42.1Very low173 Ų173141 Ų14180%0.80180%0.797SS**  trans77.5167141.6-141.1-135000120.5
181M40.8Very low42.2Very low149 Ų149141.7 Ų141.773%0.73479%0.794SS**  trans75.850.7162.1-47.2-100.667.100119.3M183M181-M183 PolarHBondContact O-N 2.9Å
182A38.8Very low42.4Very low91 Ų91141.9 Ų141.975%0.75280%0.798SS**  trans-66126.1148.100000109.6H184A182-H184 PolarHBondContact O-N 2.76Å
183M43.9Very low42.6Very low190 Ų190141.6 Ų141.694%0.93679%0.794SS**  trans-68.889.2-178.3-95.4-101.3175.100112.1M181 R185M181-M183 PolarHBondContact O-N 2.9Å; M183-R185 PolarHBondContact O-N 2.94Å
184H39.8Very low43.6Very low154 Ų154142.6 Ų142.671%0.71378%0.784SS**  trans-72.1105.5174.7-120.5-95.3000110.5A182 I186A182-H184 PolarHBondContact O-N 2.76Å; H184-I186 VanDerWaalsContact C-N 3.28Å; H184-I186 HydrophobicContact CB-CD1 3.91Å; H184-I186 HydrophobicContact CB-CG1 4.03Å; H184-I186 PolarHBondContact O-N 2.86Å
185R55.7Low44.3Very low249 Ų249140.8 Ų140.894%0.9478%0.778SS**  trans-71.781.8171.8-62.6-173.9-164.3-108.55.3110M183M183-R185 PolarHBondContact O-N 2.94Å
186I43Very low44.8Very low127 Ų127142.4 Ų142.465%0.65178%0.779SS**PPolyproline II helixtrans-96.2127178.8-65.4169.1000109.5H184H184-I186 VanDerWaalsContact C-N 3.28Å; H184-I186 HydrophobicContact CB-CD1 3.91Å; H184-I186 HydrophobicContact CB-CG1 4.03Å; H184-I186 PolarHBondContact O-N 2.86Å
187W37.8Very low45Very low235 Ų235143.4 Ų143.489%0.8978%0.779SS**PPolyproline II helixtrans-65.5134170.2-12765.6000109.4S189W187-S189 PolarHBondContact O-N 2.88Å
188P53.8Low45.6Very low111 Ų111139.1 Ų139.172%0.72178%0.776SS**PPolyproline II helixtrans-59.4122-179.2-25.635000112.5
189S42.8Very low46Very low103 Ų103140 Ų14072%0.7277%0.772SS**PPolyproline II helixtrans-75.2141.7172.7-169.40000110.4W187 H191W187-S189 PolarHBondContact O-N 2.88Å; S189-H191 PolarHBondContact O-N 2.99Å
190S45Very low46.6Very low111 Ų111147.8 Ų147.878%0.77678%0.779SS**SBendtrans-86.470.4-163.7-50.40000114.1
191H41.9Very low46.2Very low168 Ų168144.7 Ų144.778%0.77878%0.776SS**  trans-135.5143.3173-66.2-71.6000113.4S189S189-H191 PolarHBondContact O-N 2.99Å
192S43.8Very low46.2Very low106 Ų106144.8 Ų144.874%0.74178%0.778SS**  trans64.2116.7-171.7-151.90000116.4T194S192-T194 PolarHBondContact OG-OG1 2.85Å
193V50.8Low46Very low130 Ų130146.4 Ų146.479%0.78878%0.779SS**  trans-99.998.6169.11770000107.5I196V193-I196 HydrophobicContact CG1-CD1 4.26Å
194T56.9Low45.7Very low102 Ų102146.1 Ų146.163%0.62678%0.775SS**  trans-139.7-38.4179.9-22.50000113.7S192S192-T194 PolarHBondContact OG-OG1 2.85Å
195D54.6Low45.4Very low150 Ų150146.3 Ų146.380%0.80278%0.776SS**THydrogen-bonded Turntrans-91.410-173.7-69.8-74.5000116
196I54.8Low44.2Very low138 Ų138141.8 Ų141.871%0.70877%0.766SS**THydrogen-bonded Turntrans-77-21.4-175.3-66.3-177.7000113.1V193V193-I196 HydrophobicContact CG1-CD1 4.26Å
197L48.6Very low43.7Very low150 Ų150142.7 Ų142.779%0.78577%0.771SS**SBendtrans-12088.5175.4-64.8178.1000109.6I199L197-I199 PolarHBondContact O-N 3.33Å
198G54.8Low43.4Very low80 Ų80135.9 Ų135.983%0.82576%0.759SS**  trans-66.699.5-175.800000113.2
199I41.9Very low42.2Very low150 Ų150138.5 Ų138.577%0.76977%0.767SS**  trans-124.1113.8166.6-55.9-179.9000108.2L197L197-I199 PolarHBondContact O-N 3.33Å
200R46.7Very low41.6Very low237 Ų237138.7 Ų138.789%0.89477%0.768SS**  trans-122.5148.9164.9-69.8-172.2178-154.3-0.4108.1
201S34.9Very low41.6Very low107 Ų107138.8 Ų138.875%0.74877%0.766SS**  trans68.9120.8-170.8-152.10000111.7
202I38.8Very low40.9Very low152 Ų152136.6 Ų136.678%0.77977%0.77SS**  -141.3178.759.250.8172.3000113.3
203T35.6Very low40.2Very low125 Ų125141.6 Ų141.677%0.76778%0.778SS**  trans74.470.2170.5-45.30000116.2
204E37.8Very low39.1Very low183 Ų183140.7 Ų140.786%0.85578%0.778SS**  trans-106.7105.9132180-166.6126.100107
205Q32.9Very low37.7Very low158 Ų158141.6 Ų141.674%0.73879%0.789SS**  trans-179.1135.5150.4-105.3162.81.900114.2
206Q31.8Very low36.6Very low155 Ų155138.7 Ų138.772%0.72479%0.785SS**  trans63.3113.4147.8-76.6-178.3-14100123.4
207I31.8Very low35.4Very low146 Ų146141.8 Ų141.875%0.74979%0.793SS**  92.5138.2120.6-71.4174.7000120.2
208S30.8Very low34.7Very low91 Ų91143 Ų14364%0.63680%0.8SS**  trans-63.2145.5172.2-38.10000113.6
209D29.2Very low33.6Very low166 Ų166148 Ų14889%0.88880%0.802SS**  -176.4170.297.3-96.4-24.1000112.1
210S30.3Very low33Very low107 Ų107146.7 Ų146.775%0.74879%0.792SS**  trans-121.5169.917473.30000109.1
211P44.8Very low32.1Very low114 Ų114148 Ų14874%0.7480%0.797SS**  cis-135.9177.16.542.8-27.4000114.9
212S28.2Very low31.9Very low122 Ų122147.9 Ų147.985%0.85380%0.796SS**  trans-175.2148.8139.4-84.40000112.2
213F28Very low31.5Very low210 Ų210145 Ų14592%0.92180%0.795SS**  trans-87.7137.8176.6-91.2-107.9000112
214S27.7Very low31.3Very low112 Ų112145.7 Ų145.778%0.78379%0.793SS**  -178.8109.6117.8550000115
215S27.5Very low30.9Very low121 Ų121143.5 Ų143.585%0.84679%0.787SS**  trans54.8137.4137.9-145.80000124
216A30.9Very low30.9Very low88 Ų88147 Ų14773%0.72779%0.793SS**  trans9696.9141.800000121.7
217K30.1Very low31Very low203 Ų203144.3 Ų144.388%0.88379%0.792SS**  82.483.2122-164.9-175.7-179.9178.40119.5
218L34.6Very low30.9Very low175 Ų175145.2 Ų145.292%0.91680%0.798SS**  trans-155.195.4139.1-162.176.4000113.5
219E31.6Very low30.9Very low187 Ų187150.1 Ų150.187%0.87481%0.808SS**  trans-153.7153.5171.2-105.1173.8131.300106.8
220E29.5Very low31.4Very low121 Ų121147.8 Ų147.857%0.56580%0.802SS**  cis-157.1137.7-3.2-174.5-158.8155.300107.1
221W28.1Very low32.1Very low265 Ų265148.4 Ų148.4100%1.00480%0.804SS**  trans-149.555.4172.4-83.7103.9000113.8
222S29.7Very low31.8Very low104 Ų104148 Ų14873%0.72781%0.81SS**SBendtrans-152.164.9166.263.20000115.8
223A31Very low32Very low91 Ų91148 Ų14875%0.75281%0.811SS**  trans65.1122.3144.400000121.5
224I31.6Very low32.5Very low140 Ų140143.6 Ų143.672%0.71881%0.806SS**  trans-130.6132.4144.2-76.297.5000109.6
225N29Very low32.7Very low138 Ų138144.1 Ų144.174%0.73881%0.809SS**  trans39.9121.9164.2-66.5-37.7000120.8
226R32Very low33Very low230 Ų230146.4 Ų146.487%0.86881%0.811SS**  79.9126.861.2-84.8-167.2165.5-137.3-0.3116.5
227S35.2Very low33.1Very low99 Ų99148.6 Ų148.669%0.69282%0.815SS**  trans61.7101.8149.655.30000121
228N29.8Very low33.1Very low165 Ų165146.5 Ų146.588%0.88281%0.813SS**  -172.7161.794.6-98.5-1.2000113.7
229F30.6Very low32.8Very low194 Ų194141.2 Ų141.285%0.85180%0.802SS**  trans-99.1153.4170.6-98.4-79.1000109.8
230P39.9Very low32.9Very low117 Ų117138.4 Ų138.476%0.7680%0.797SS**  -142.2-148.587.241.8-21.9000112.8
231P43.7Very low33.1Very low121 Ų121140.8 Ų140.879%0.78681%0.814SS**  -120-178.5-113.234.9-13.7000115.4
232A40.2Very low33.3Very low105 Ų105137.8 Ų137.887%0.86881%0.807SS**  trans-81.7151.1-169.300000115.8
233S32.3Very low33.3Very low123 Ų123137.1 Ų137.186%0.8681%0.808SS**  trans-144.3153.6151.163.70000109.2
234S37.5Very low33.1Very low117 Ų117140.8 Ų140.882%0.81881%0.81SS**  trans-136.1128.5-17358.80000111.4
235S31.4Very low33.2Very low122 Ų122140.4 Ų140.485%0.85381%0.808SS**  trans-140.3144.5174.4-68.60000111
236L35Very low33.4Very low169 Ų169141.2 Ų141.289%0.88581%0.808SS**  trans-77.9147.1176.8-71.770.8000111.3
237V32.3Very low34.3Very low134 Ų134134.2 Ų134.281%0.81279%0.792SS**  trans-145.8142.9133.1-74.50000109.9
238N30.6Very low34.1Very low159 Ų159137 Ų13785%0.8579%0.794SS**  trans178.994.5137.1-99.514000110.4
239G28.4Very low34.1Very low65 Ų65137 Ų13767%0.6779%0.788SS**  trans-84.2-176.3135.400000108.7
240V34.2Very low34.4Very low128 Ų128131.8 Ų131.878%0.77678%0.781SS**  cis-154.3151.617.8171.90000107.8
241D32.8Very low34Very low171 Ų171135.2 Ų135.291%0.91478%0.784SS**  trans-165.1158.2143.4-100-35.1000111.7
242K31.5Very low33.2Very low201 Ų201138.1 Ų138.187%0.87479%0.785SS**  trans-157.5127.2-152.4-177.4-175.6178.5-172.20118.4
243A29.7Very low32.8Very low90 Ų90139 Ų13974%0.74478%0.779SS**  trans-158.5158.7158.200000109.5
244H28.4Very low32.7Very low169 Ų169140.9 Ų140.978%0.78278%0.775SS**  cis82.2130.614.7-127.829.4000114
245L33.8Very low32.6Very low132 Ų132140.9 Ų140.969%0.69177%0.77SS**  cis-133.9148.811.1-87.3166.8000109.8
246E32.9Very low33.8Very low155 Ų155140.7 Ų140.772%0.72477%0.766SS**  6414879.1-71.7-74.88300117.5
247P50.1Low33.9Very low83 Ų83138.1 Ų138.154%0.53976%0.762SS.*  cis-141.5-175.7-24.228.3-3.6000116.9
248H30.8Very low33.9Very low157 Ų157135.5 Ų135.573%0.72776%0.762SS**  trans73.4144.2167.3-58.9-86.2000119.5
249E30.8Very low34Very low164 Ų164136 Ų13677%0.76676%0.764SS**  cis-160.8158.1-7.9-128.9171.8-13600114.9
250A36.1Very low35Very low85 Ų85139 Ų13970%0.70277%0.771SS**  trans64.6149.5160.900000120
251K31.2Very low35.1Very low189 Ų189139.4 Ų139.482%0.82277%0.774SS**  cis-165.7134.6-1-129.9169.1-174.7171.10111.9
252F28Very low35.1Very low182 Ų182136 Ų13680%0.79877%0.769SS**  trans55.6150154.3-91.4-124000119.8
253T31.2Very low35.2Very low123 Ų123133.8 Ų133.876%0.75577%0.767SS**  cis-139.9171.9539.90000109.5
254Q30.4Very low35.3Very low164 Ų164135 Ų13577%0.76677%0.771SS**  cis177.9155.4-32174.416256.700106.7
255T34.5Very low35.7Very low116 Ų116137.6 Ų137.671%0.71278%0.775SS**  trans-131.7168.5-175.572.60000112.5
256P57.6Low35.7Very low119 Ų119138.4 Ų138.477%0.77379%0.785SS**  -138.1-175.768.124.21.5000113.8
257S37.3Very low35.9Very low115 Ų115137.1 Ų137.180%0.80479%0.788SS**  cis99.3128.46.1-48.80000118.4
258G30.6Very low35.2Very low79 Ų79137.4 Ų137.481%0.81480%0.797SS**  trans163.5134.4164.500000118.5
259L34.5Very low36.3Very low170 Ų170135.6 Ų135.689%0.8980%0.8SS**  trans-154.9149.1165.4-94176.7000108.7
260P48.6Very low36.5Very low127 Ų127132.5 Ų132.583%0.82580%0.796SS**  -152.6-175.4115.938.4-19.5000116.3
261T36.7Very low36.7Very low137 Ų137135.6 Ų135.684%0.8480%0.799SS**  trans-91.1152.6-166.8-440000116
262A33.5Very low37.9Very low98 Ų98132.2 Ų132.281%0.8180%0.797SS**  trans-151.1170.2160.400000112.6
263N32.3Very low39.5Very low155 Ų155127.9 Ų127.983%0.82979%0.787SS**  trans-119.4169.9-164.4-97-14.1000115.4
264S32.4Very low39.6Very low117 Ų117133 Ų13382%0.81879%0.794SS**  trans97.8167.6145.6780000121.4
265Y37.1Very low40.4Very low223 Ų223133.1 Ų133.188%0.87579%0.794SS**  trans-115.7170.5-158.2-60-107.3000113
266V33Very low41.8Very low148 Ų148132.9 Ų132.990%0.89779%0.794SS**  trans162.7169.1131.3158.20000112.1
267T36.8Very low41.8Very low128 Ų128131.7 Ų131.779%0.78579%0.787SS**  trans-135.7137.6-152.2-61.40000115.9
268A36.7Very low41.9Very low89 Ų89132.4 Ų132.474%0.73679%0.787SS**  trans59.4169.5158.300000118.7
269P52.3Low42.1Very low120 Ų120136.4 Ų136.478%0.77978%0.784SS**  -153.4178.466.342.2-20.8000119.7
270S35.4Very low42Very low98 Ų98134.6 Ų134.669%0.68578%0.78SS**  trans70133.6155.3-144.20000121.5
271I40.5Very low41.4Very low150 Ų150132.4 Ų132.477%0.76977%0.768SS**  cis81.2135.925.4-57.3171.5000112.1
272P55.8Low41.4Very low118 Ų118134.4 Ų134.477%0.76677%0.767SS**  cis-126.4-104.131.723.34.5000122.3
273P62.3Low41.3Very low92 Ų92140.9 Ų140.960%0.59777%0.772SS**  -138.7173.8-119.944.8-27.1000121.4
274Y34.1Very low41.8Very low231 Ų231140.6 Ų140.691%0.90677%0.768SS**  trans-164170.2130.6-106.5-70.9000111.8
275H46Very low41.9Very low165 Ų165138.4 Ų138.476%0.76476%0.763SS**  trans-152.1179.4-159.9-89.5-91.2000113.3
276P64.1Low41.7Very low111 Ų111137.8 Ų137.872%0.72176%0.761SS**  cis-119.1-91.5-3327.3-4.3000112.2
277P58.3Low41.7Very low94 Ų94136.1 Ų136.161%0.6176%0.756SS**  cis-130.2146.4-34.337.6-19.4000117.9
278T38Very low41.6Very low131 Ų131134.2 Ų134.280%0.80475%0.753SS**  trans61.4151.2144.7570000122.4
279Q36Very low41.5Very low163 Ų163136 Ų13676%0.76276%0.755SS**  cis-168.1170.7-1.8-110.1-87.331.600113.2
280V32.7Very low40.7Very low131 Ų131136.9 Ų136.979%0.79476%0.758SS**  trans76.5146.1164.6-159.40000121.7
281S36.4Very low40.6Very low82 Ų82138.3 Ų138.357%0.57377%0.768SS**  trans-139.6147.1168.8178.90000108
282H36.2Very low40.4Very low178 Ų178134.2 Ų134.282%0.82476%0.757SS**  -172.4160.662.8-65.775.3000110.5
283Y30.5Very low39.4Very low234 Ų234138.9 Ų138.992%0.91876%0.761SS**  -178.2166.5127.8-156.4-115.8000111.6
284M43.1Very low38.3Very low150 Ų150141.1 Ų141.174%0.73977%0.772SS**  trans-96.8143.7171.8-82.7-168.172.200112.5
285G33.8Very low38.5Very low70 Ų70136.3 Ų136.372%0.72277%0.767SS**  trans-149148.2172.100000111.5
286Y34.6Very low38.1Very low211 Ų211132.1 Ų132.183%0.82777%0.768SS**  trans-97.3163.5-172.5-71.7-96.8000113.5
287S32.5Very low37.5Very low113 Ų113133.2 Ų133.279%0.7978%0.775SS**  trans86.9105.5150.9-58.50000120.6
288A33.7Very low36.3Very low88 Ų88134.2 Ų134.273%0.72778%0.78SS**  86.4159.1123.800000121.7
289T35.2Very low36.2Very low126 Ų126140 Ų14077%0.77379%0.787SS**  trans80126.9168.563.60000120.2
290T36.3Very low36.6Very low139 Ų139140.4 Ų140.485%0.85379%0.789SS**  trans51.8121.8148.8540000120.8
291S32.4Very low37.3Very low127 Ų127140 Ų14089%0.88879%0.789SS**  trans-133.2120.5152-1770000111.7
292A36Very low37.3Very low64 Ų64141.3 Ų141.353%0.52981%0.805SS.*  trans-126.7166.6143.600000104.9
293Y35.3Very low37.3Very low217 Ų217138.8 Ų138.885%0.85181%0.807SS**  cis-155155.723.9-46.1-106.6000108.4
294V38.9Very low37.6Very low139 Ų139131.5 Ų131.584%0.84280%0.803SS**  trans-13893.8164.1-176.80000111.9
295T39.5Very low37.2Very low130 Ų130130.4 Ų130.480%0.79881%0.81SS**  trans29.9114.4146.659.70000123.2
296G36.8Very low37.3Very low76 Ų76131.5 Ų131.578%0.78481%0.812SS**  84.117112300000120.2
297P50.9Low37.3Very low134 Ų134129.9 Ų129.987%0.8782%0.817SS**  cis-110.5176.60.840.6-31.5000115.3
298T34.5Very low37.5Very low115 Ų115129.8 Ų129.871%0.70682%0.817SS**  trans-89.3148.9-166.6-51.40000115.3Q300T298-Q300 HydrophobicContact CG2-CG 4.3Å
299W35.5Very low38.5Very low252 Ų252130.1 Ų130.196%0.95581%0.811SS**  trans-134.6138.6149.2-91.685.6000109.9
300Q44.3Very low38.6Very low172 Ų172132.9 Ų132.980%0.80482%0.815SS**  trans-105.2146.9178.1-70.4-178.6-50.200111.8T298T298-Q300 HydrophobicContact CG2-CG 4.3Å
301P46.6Very low38.5Very low124 Ų124131.2 Ų131.281%0.80581%0.809SS**  trans-114.3151.6141.835.9-28.3000110.7
302A36.6Very low38.6Very low109 Ų109131.1 Ų131.190%0.90181%0.807SS**  trans-89.8141.4177.300000112
303S36.4Very low38.6Very low125 Ų125134.7 Ų134.787%0.87482%0.817SS**  trans-132.9130.2163.251.60000109.6
304G36.5Very low38.9Very low80 Ų80131.8 Ų131.883%0.82582%0.816SS**  trans-118.8132.6175.400000109.6
305S34.6Very low38.7Very low128 Ų128129.9 Ų129.990%0.89581%0.814SS**  trans-80.9158.3-168.8-64.60000114.2
306A35.7Very low38.7Very low92 Ų92127.3 Ų127.376%0.7681%0.813SS**  trans-67.5158.3-178.700000114.6
307L36.1Very low40Very low177 Ų177129.7 Ų129.793%0.92782%0.815SS**  trans-131.2140.5147.9-73178000109.8
308S36.3Very low39.5Very low112 Ų112131.7 Ų131.778%0.78382%0.818SS**  trans-100.3174.3162.3-128.60000107.7
309P54.8Low39.6Very low94 Ų94130.3 Ų130.361%0.6182%0.818SS**  cis-143.4177.736.130.7-5.4000116.5
310H37.2Very low39.8Very low184 Ų184128.7 Ų128.785%0.85282%0.818SS**  165.4153.8117.8-85.2-65.5000113
311S33Very low39.7Very low105 Ų105130.4 Ų130.473%0.73482%0.823SS**  trans-91.4151.8-167.2-173.90000114.8
312C34.9Very low39.2Very low125 Ų125130.8 Ų130.885%0.84582%0.818SS**  trans-161.7167.913949.10000111.6
313D35.7Very low39.2Very low139 Ų139132.5 Ų132.574%0.74381%0.811SS**  trans-102.3163.6-151.1-92.4-71000118.5
314L42.1Very low39.1Very low156 Ų156131 Ų13182%0.81781%0.806SS**  trans13.1129.9150.2-73150.6000120.9
315A35.7Very low39.2Very low98 Ų98132.1 Ų132.181%0.8181%0.808SS**  170.4147.7104.800000115.7
316G38.3Very low39.3Very low76 Ų76132 Ų13278%0.78481%0.806SS**  trans76.8116.7137.700000121.4
317P63.7Low39.5Very low126 Ų126139.1 Ų139.182%0.81881%0.813SS**  trans-101.6148.2171.337.4-31.9000114.5
318L40.8Very low39.7Very low176 Ų176138.3 Ų138.392%0.92181%0.81SS**  trans-151.6160.1166.8-69.9177.3000109.1
319A36.2Very low39.9Very low87 Ų87137.7 Ų137.772%0.71981%0.812SS**  cis-172.7155.6-31.600000107.1
320F40Very low39.5Very low217 Ų217141 Ų14195%0.95282%0.823SS**  trans-66.4149.6175.8-99.4-107.7000112.7
321K42.9Very low40Very low208 Ų208140.7 Ų140.790%0.90482%0.822SS**  trans-142.3149.6157.7-158.3170.4-176.7-1800110.7
322N34.9Very low41Very low133 Ų133141.6 Ų141.671%0.71183%0.825SS**  trans-144.1164.5-165.7-164.76.5000111.4
323I36.9Very low41.4Very low145 Ų145142.5 Ų142.574%0.74483%0.826SS**  trans66.4115.2164.4-71.4157.3000118.8
324A35.7Very low41.9Very low93 Ų93140.5 Ų140.577%0.76983%0.829SS**  175.7111.6126.100000107.9
325A37.4Very low42.1Very low104 Ų104137.7 Ų137.786%0.8683%0.828SS**  72.182.862.500000113.9
326S37.3Very low42.8Very low124 Ų124138.9 Ų138.987%0.86783%0.83SS**  trans-100.8152.3159.1540000110.1
327R39.9Very low43.3Very low242 Ų242141.8 Ų141.891%0.91383%0.833SS**  trans-141.8118-170.4-176.7179.2-174.9171.11.3109.5
328D39.8Very low42.7Very low160 Ų160147.6 Ų147.686%0.85686%0.856SS**  trans-64.5145.8-178.5-65.8-75.2000112.8
329A41.4Very low42.8Very low100 Ų100146.2 Ų146.283%0.82685%0.852SS**  trans-97.5141.7-178.100000111.6
330I46Very low43.1Very low164 Ų164149.3 Ų149.384%0.84186%0.859SS**  trans-104.6135-177.8-64.5170.4000109.4
331H47.3Very low43.3Very low177 Ų177145.5 Ų145.582%0.81985%0.854SS**PPolyproline II helixtrans-69.6132.6174.1-74.7-96.2000111.9
332P53.2Low43.3Very low123 Ų123141.8 Ų141.880%0.79985%0.851SS**PPolyproline II helixtrans-84.1133.3163.132.6-30.6000110.7
333V43.4Very low43.8Very low144 Ų144142.4 Ų142.487%0.87386%0.86SS**PPolyproline II helixtrans-87.6124.7164172.10000108.1
334A48Very low44.3Very low97 Ų97142.2 Ų142.280%0.80287%0.868SS**PPolyproline II helixtrans-88.2124.5171.800000110.1
335A45.3Very low44.9Very low98 Ų98145.7 Ų145.781%0.8188%0.875SS**  trans-108.4121.7165.300000108.3
336S50.5Low45.5Very low122 Ų122148.9 Ų148.985%0.85388%0.876SS**  trans-105.3136.5171.6-70.90000109.9
337V49.5Very low46.1Very low137 Ų137151 Ų15183%0.8388%0.877SS**  trans-109120.4171.1175.40000107.6
338L49.4Very low46.7Very low248 Ų248142.7 Ų142.7100%1.29887%0.873SS**  trans175.40144-95.5165.4000109.2

Retrieved 338 of 338 residues in 225.9 ms (Link to these results)