Q99NC5_MOUSE Loading...

Beta-actin FE-3

AlphaFold DB , UniProt , Accession Q99NC5, Species MOUSE (Mus musculus, Mouse), Gene Actb, Length 134 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
1S88.2Confident96.4Very high122 Ų122101.4 Ų101.485%0.85357%0.573SS**  0157.7040.30000109I10S1-I10 CarbonylContact C-O 3.4Å; S1-I10 WeakPolarHBondContact CA-O 3.41Å
2Y95.3Very high96.3Very high138 Ų13898.8 Ų98.854%0.54156%0.555SS.*EExtended strand (participates in β ladder)trans-135.7132173179.6-96.4000107.7L4 V9 I10Y2-L4 HydrophobicContact CD1-CD2 3.83Å; Y2-L4 HydrophobicContact CE1-CD2 3.85Å; Y2-V9 WeakPolarHBondContact O-CA 3.25Å; Y2-I10 HydrophobicContact CD1-CD1 4.48Å; Y2-I10 HydrophobicContact CD1-CG1 4.43Å; Y2-I10 PolarHBondContact N-O 3.3Å; Y2-I10 WeakPolarHBondContact O-CG1 3.5Å; Y2-I10 PolarHBondContact O-N 3.47Å
3E97.6Very high96.2Very high132 Ų13294 Ų9462%0.61754%0.541SS*.EExtended strand (participates in β ladder)trans-92123.8176.7-171.6176.7163.500109V9E3-V9 HydrophobicContact CB-CG2 4.29Å; E3-V9 HydrophobicContact CG-CG2 4.17Å
4L97.5Very high96.1Very high49 Ų4994.7 Ų94.726%0.25754%0.542SS..  trans-77.4161.2177.7-62.6-179.2000110.5Y2 D6 G7 Q8 I10Y2-L4 HydrophobicContact CD1-CD2 3.83Å; Y2-L4 HydrophobicContact CE1-CD2 3.85Å; L4-D6 WeakPolarHBondContact CB-OD1 3.39Å; L4-D6 PolarHBondContact O-N 2.88Å; L4-G7 PolarHBondContact O-N 2.82Å; L4-Q8 HydrophobicContact CB-CB 4.49Å; L4-Q8 WeakPolarHBondContact CB-O 3.33Å; L4-Q8 HydrophobicContact CD1-CB 4.24Å; L4-Q8 WeakPolarHBondContact CG-O 3.14Å; L4-Q8 PolarHBondContact N-O 2.98Å; L4-I10 HydrophobicContact CD1-CG2 3.91Å; L4-I10 HydrophobicContact CD2-CD1 4.13Å; L4-I10 HydrophobicContact CD2-CG1 4.45Å; L4-I10 HydrophobicContact CG-CG2 4.29Å
5P97.8Very high96Very high135 Ų13595.4 Ų95.488%0.87754%0.539SS*.THydrogen-bonded Turntrans-59.5-17.9-179.6-2635.6000115.6
6D97.3Very high95.8Very high118 Ų118101.1 Ų101.163%0.63155%0.549SS*.THydrogen-bonded Turntrans-89.72.3175.4630.6000113.5L4 Q8L4-D6 WeakPolarHBondContact CB-OD1 3.39Å; L4-D6 PolarHBondContact O-N 2.88Å; D6-Q8 VanDerWaalsContact C-N 3.33Å; D6-Q8 VanDerWaalsContact OD1-CB 3.3Å; D6-Q8 WeakPolarHBondContact OD1-CB 3.22Å; D6-Q8 PolarHBondContact OD1-N 3.15Å
7G97.4Very high95.7Very high40 Ų40102.5 Ų102.541%0.41255%0.549SS..SBendtrans85.4-2.4-177.900000114.4L4 V9L4-G7 PolarHBondContact O-N 2.82Å; G7-V9 PolarHBondContact O-N 3.39Å
8Q97.9Very high95.7Very high112 Ų112105.3 Ų105.352%0.52355%0.551SS.*  trans-71.1131176-177179.1-6.600110.5L4 D6L4-Q8 HydrophobicContact CB-CB 4.49Å; L4-Q8 WeakPolarHBondContact CB-O 3.33Å; L4-Q8 HydrophobicContact CD1-CB 4.24Å; L4-Q8 WeakPolarHBondContact CG-O 3.14Å; L4-Q8 PolarHBondContact N-O 2.98Å; D6-Q8 VanDerWaalsContact C-N 3.33Å; D6-Q8 VanDerWaalsContact OD1-CB 3.3Å; D6-Q8 WeakPolarHBondContact OD1-CB 3.22Å; D6-Q8 PolarHBondContact OD1-N 3.15Å
9V97.4Very high95.7Very high86 Ų86104.1 Ų104.152%0.52155%0.551SS.*EExtended strand (participates in β ladder)trans-97.3121.8176.9-177.20000110.4Y2 E3 G7Y2-V9 WeakPolarHBondContact O-CA 3.25Å; E3-V9 HydrophobicContact CB-CG2 4.29Å; E3-V9 HydrophobicContact CG-CG2 4.17Å; G7-V9 PolarHBondContact O-N 3.39Å
10I97Very high95.8Very high57 Ų57100.2 Ų100.229%0.29253%0.532SS..EExtended strand (participates in β ladder)trans-105147.6174.663.7167.7000111.6S1 Y2 L4 I12S1-I10 CarbonylContact C-O 3.4Å; S1-I10 WeakPolarHBondContact CA-O 3.41Å; Y2-I10 HydrophobicContact CD1-CD1 4.48Å; Y2-I10 HydrophobicContact CD1-CG1 4.43Å; Y2-I10 PolarHBondContact N-O 3.3Å; Y2-I10 WeakPolarHBondContact O-CG1 3.5Å; Y2-I10 PolarHBondContact O-N 3.47Å; L4-I10 HydrophobicContact CD1-CG2 3.91Å; L4-I10 HydrophobicContact CD2-CD1 4.13Å; L4-I10 HydrophobicContact CD2-CG1 4.45Å; L4-I10 HydrophobicContact CG-CG2 4.29Å; I10-I12 HydrophobicContact CD1-CD1 4.15Å; I10-I12 HydrophobicContact CD1-CG1 4.1Å; I10-I12 HydrophobicContact CG1-CG1 4.36Å
11T96.5Very high95.9Very high126 Ų12697 Ų9777%0.77351%0.514SS*.  trans-103120.3172.3-65.60000109.1
12I95.3Very high96.4Very high70 Ų7092 Ų9236%0.35948%0.48SS..  trans-108.1118.7173.7-45175.8000106.8I10 E15 R16I10-I12 HydrophobicContact CD1-CD1 4.15Å; I10-I12 HydrophobicContact CD1-CG1 4.1Å; I10-I12 HydrophobicContact CG1-CG1 4.36Å; I12-E15 HydrophobicContact CG2-CB 3.9Å; I12-R16 HydrophobicContact CB-CG 3.95Å; I12-R16 HydrophobicContact CG2-CG 3.51Å; I12-R16 WeakPolarHBondContact O-CD 3.37Å
13G95.5Very high96.5Very high37 Ų3787.7 Ų87.738%0.38147%0.466SS..  trans-98.5-114.1-177.700000110.8E15 R16G13-E15 VanDerWaalsContact CA-OE2 3.3Å; G13-E15 WeakPolarHBondContact CA-OE2 3.39Å; G13-E15 PolarHBondContact N-OE2 3.32Å; G13-E15 PolarHBondContact O-N 3.34Å; G13-R16 WeakPolarHBondContact O-CG 3.43Å; G13-R16 PolarHBondContact O-N 2.88Å
14N94.6Very high96.6Very high104 Ų10482 Ų8256%0.55644%0.439SS*.THydrogen-bonded Turntrans-68.4-19.3-173.9-66.4-12.2000113.3R16 F17 R18N14-R16 PolarHBondContact O-N 3.34Å; N14-R16 VanDerWaalsContact O-N 3.13Å; N14-F17 VanDerWaalsContact CA-CE1 3.41Å; N14-F17 HydrophobicContact CB-CE1 3.7Å; N14-F17 HydrophobicContact CB-CE2 4.42Å; N14-F17 HydrophobicContact CB-CZ 3.57Å; N14-F17 WeakPolarHBondContact O-CD1 3.23Å; N14-F17 WeakPolarHBondContact O-CG 3.27Å; N14-F17 PolarHBondContact O-N 3.02Å; N14-R18 WeakPolarHBondContact O-CG 3.35Å; N14-R18 PolarHBondContact O-N 3.2Å
15E94.3Very high96.6Very high105 Ų10583.6 Ų83.649%0.49145%0.445SS..Hα-helixtrans-57.7-29.2178.2-54.474.3-158.600111.5I12 G13 F17 R18 C19I12-E15 HydrophobicContact CG2-CB 3.9Å; G13-E15 VanDerWaalsContact CA-OE2 3.3Å; G13-E15 WeakPolarHBondContact CA-OE2 3.39Å; G13-E15 PolarHBondContact N-OE2 3.32Å; G13-E15 PolarHBondContact O-N 3.34Å; E15-F17 PolarHBondContact O-N 3.29Å; E15-R18 PolarHBondContact O-N 3.09Å; E15-C19 VanDerWaalsContact O-CB 3.3Å; E15-C19 WeakPolarHBondContact O-CB 3.49Å; E15-C19 PolarHBondContact O-N 3.11Å
16R93.9Very high96.6Very high187 Ų18777.8 Ų77.871%0.70641%0.408SS*.Hα-helixtrans-58.1-33.2179.6-64.517964.4-162.3-0.9113.5I12 G13 N14 P20I12-R16 HydrophobicContact CB-CG 3.95Å; I12-R16 HydrophobicContact CG2-CG 3.51Å; I12-R16 WeakPolarHBondContact O-CD 3.37Å; G13-R16 WeakPolarHBondContact O-CG 3.43Å; G13-R16 PolarHBondContact O-N 2.88Å; N14-R16 PolarHBondContact O-N 3.34Å; N14-R16 VanDerWaalsContact O-N 3.13Å; R16-P20 WeakPolarHBondContact O-CD 3.37Å
17F94.1Very high96.6Very high124 Ų12476.1 Ų76.154%0.54441%0.405SS..Hα-helixtrans-106.1-25.4177.563.3-101.8000112.7N14 E15 C19 P20 E21N14-F17 VanDerWaalsContact CA-CE1 3.41Å; N14-F17 HydrophobicContact CB-CE1 3.7Å; N14-F17 HydrophobicContact CB-CE2 4.42Å; N14-F17 HydrophobicContact CB-CZ 3.57Å; N14-F17 WeakPolarHBondContact O-CD1 3.23Å; N14-F17 WeakPolarHBondContact O-CG 3.27Å; N14-F17 PolarHBondContact O-N 3.02Å; E15-F17 PolarHBondContact O-N 3.29Å; F17-C19 VanDerWaalsContact C-N 3.31Å; F17-C19 PolarHBondContact O-N 2.91Å; F17-P20 WeakPolarHBondContact O-CD 3.15Å; F17-P20 WeakPolarHBondContact O-CG 3.42Å; F17-E21 PolarHBondContact O-N 2.72Å
18R94.6Very high96.5Very high154 Ų15479.4 Ų79.458%0.58141%0.408SS*.Hα-helixtrans-66-33.6173.8-69.3-179.868.1-171.51.5112.7N14 E15 E21N14-R18 WeakPolarHBondContact O-CG 3.35Å; N14-R18 PolarHBondContact O-N 3.2Å; E15-R18 PolarHBondContact O-N 3.09Å; R18-E21 WeakPolarHBondContact O-CB 3.47Å; R18-E21 PolarHBondContact O-N 3.02Å
19C96.8Very high96.4Very high82 Ų8279.7 Ų79.755%0.55441%0.413SS*.Hα-helixtrans-59.9-56.7177.9176.60000112.6E15 F17 E21 A22E15-C19 VanDerWaalsContact O-CB 3.3Å; E15-C19 WeakPolarHBondContact O-CB 3.49Å; E15-C19 PolarHBondContact O-N 3.11Å; F17-C19 VanDerWaalsContact C-N 3.31Å; F17-C19 PolarHBondContact O-N 2.91Å; C19-E21 PolarHBondContact O-N 3.19Å; C19-A22 PolarHBondContact O-N 3.34Å
20P97.6Very high96.3Very high25 Ų2579 Ų7916%0.16242%0.422CS..Hα-helixtrans-70.7-16.3177.527.7-36000113.9R16 F17 A22 L23 Y68R16-P20 WeakPolarHBondContact O-CD 3.37Å; F17-P20 WeakPolarHBondContact O-CD 3.15Å; F17-P20 WeakPolarHBondContact O-CG 3.42Å; P20-A22 PolarHBondContact O-N 3.31Å; P20-L23 WeakPolarHBondContact O-CB 3.48Å; P20-L23 WeakPolarHBondContact O-CG 3.33Å; P20-L23 PolarHBondContact O-N 2.96Å; P20-L23 VanDerWaalsContact O-N 3.08Å; P20-Y68 HydrophobicContact CB-CD1 3.99Å; P20-Y68 HydrophobicContact CB-CD2 3.76Å; P20-Y68 HydrophobicContact CB-CE1 4.1Å; P20-Y68 HydrophobicContact CB-CE2 3.89Å; P20-Y68 HydrophobicContact CB-CG 3.84Å; P20-Y68 HydrophobicContact CG-CD1 4.24Å; P20-Y68 HydrophobicContact CG-CE1 4.4Å; P20-Y68 HydrophobicContact CG-CG 4.47Å
21E98Very high96.3Very high35 Ų3581 Ų8116%0.16443%0.432CS..Hα-helixtrans-60.8-27.9175.4-166.660.6-154.600112.2F17 R18 C19 L23 F24 Q25 F28 R74F17-E21 PolarHBondContact O-N 2.72Å; R18-E21 WeakPolarHBondContact O-CB 3.47Å; R18-E21 PolarHBondContact O-N 3.02Å; C19-E21 PolarHBondContact O-N 3.19Å; E21-L23 PolarHBondContact O-N 3.19Å; E21-L23 VanDerWaalsContact O-N 3.07Å; E21-F24 CarbonylContact O-C 3.51Å; E21-F24 WeakPolarHBondContact O-CA 3.37Å; E21-F24 PolarHBondContact O-N 2.78Å; E21-Q25 HydrophobicContact CG-CG 4.47Å; E21-Q25 PolarHBondContact O-N 3.28Å; E21-F28 HydrophobicContact CB-CD2 4.29Å; E21-F28 HydrophobicContact CB-CE2 3.91Å; E21-F28 HydrophobicContact CG-CD2 4.28Å; E21-F28 HydrophobicContact CG-CE2 3.55Å; E21-F28 HydrophobicContact CG-CZ 4.31Å; E21-R74 VanDerWaalsContact CD-NH1 3.29Å; E21-R74 IonicContact OE1-CZ 3.36Å; E21-R74 IonicContact OE1-NH1 3.07Å; E21-R74 PolarHBondContact OE1-NH1 3.26Å; E21-R74 IonicContact OE1-NH2 2.77Å; E21-R74 PolarHBondContact OE1-NH2 3.39Å; E21-R74 IonicContact OE2-CZ 3.73Å; E21-R74 IonicContact OE2-NH1 2.71Å; E21-R74 PolarHBondContact OE2-NH1 3.33Å; E21-R74 IonicContact OE2-NH2 3.9Å
22A97.4Very high96.3Very high16 Ų1685.1 Ų85.113%0.13244%0.442CS..THydrogen-bonded Turntrans-58.6-21.4175.100000113.7C19 P20 F24 Q25 P26 L29C19-A22 PolarHBondContact O-N 3.34Å; P20-A22 PolarHBondContact O-N 3.31Å; A22-F24 VanDerWaalsContact C-N 3.3Å; A22-Q25 CarbonylContact O-C 3.42Å; A22-P26 WeakPolarHBondContact O-CA 3.5Å; A22-L29 HydrophobicContact CB-CD1 3.92Å; A22-L29 HydrophobicContact CB-CD2 4.28Å; A22-L29 HydrophobicContact CB-CG 3.91Å
23L98.3Very high96.3Very high48 Ų4884.4 Ų84.425%0.25144%0.444SS..THydrogen-bonded Turntrans-68.2-31.9172.2-61.5172.2000112.1P20 E21 G35 I36 T65 Y68 I71P20-L23 WeakPolarHBondContact O-CB 3.48Å; P20-L23 WeakPolarHBondContact O-CG 3.33Å; P20-L23 PolarHBondContact O-N 2.96Å; P20-L23 VanDerWaalsContact O-N 3.08Å; E21-L23 PolarHBondContact O-N 3.19Å; E21-L23 VanDerWaalsContact O-N 3.07Å; L23-G35 CarbonylContact O-C 3.56Å; L23-G35 WeakPolarHBondContact O-CA 3.34Å; L23-I36 HydrophobicContact CB-CD1 4.1Å; L23-I36 HydrophobicContact CB-CG1 4.32Å; L23-I36 HydrophobicContact CB-CG2 4.35Å; L23-I36 PolarHBondContact O-N 3.22Å; L23-T65 HydrophobicContact CD1-CG2 3.86Å; L23-T65 HydrophobicContact CD2-CG2 3.95Å; L23-Y68 HydrophobicContact CD1-CD2 4.1Å; L23-Y68 HydrophobicContact CD1-CE2 4.14Å; L23-I71 HydrophobicContact CD1-CD1 4.26Å
24F98.4Very high96.4Very high13 Ų1385.5 Ų85.56%0.05745%0.445CS..THydrogen-bonded Turntrans-95.1-29.9178.6-63.4-90.8000111.6E21 A22 I36 H37 I71 R74 M75 E78E21-F24 CarbonylContact O-C 3.51Å; E21-F24 WeakPolarHBondContact O-CA 3.37Å; E21-F24 PolarHBondContact O-N 2.78Å; A22-F24 VanDerWaalsContact C-N 3.3Å; F24-I36 HydrophobicContact CD1-CG1 4.11Å; F24-I36 HydrophobicContact CE1-CD1 4.01Å; F24-I36 HydrophobicContact CE1-CG1 3.89Å; F24-I36 HydrophobicContact CE2-CD1 4.06Å; F24-I36 HydrophobicContact CE2-CG1 4.48Å; F24-I36 HydrophobicContact CG-CG1 4.48Å; F24-I36 HydrophobicContact CZ-CD1 3.71Å; F24-I36 HydrophobicContact CZ-CG1 4.09Å; F24-H37 HydrophobicContact CD1-CB 4.17Å; F24-H37 AromaticContact CD1-CG 3.99Å; F24-H37 AromaticContact CD1-ND1 3.59Å; F24-H37 HydrophobicContact CE1-CB 4.28Å; F24-H37 PolarHBondContact O-CE1 3.41Å; F24-H37 VanDerWaalsContact O-CE1 3.3Å; F24-I71 HydrophobicContact CE2-CG1 4.29Å; F24-I71 HydrophobicContact CZ-CG1 4.11Å; F24-R74 HydrophobicContact CD1-CG 4.1Å; F24-R74 HydrophobicContact CD2-CG 4.32Å; F24-R74 HydrophobicContact CE1-CB 4.47Å; F24-R74 HydrophobicContact CE1-CG 3.54Å; F24-R74 HydrophobicContact CE2-CG 3.78Å; F24-R74 HydrophobicContact CG-CG 4.47Å; F24-R74 HydrophobicContact CZ-CB 4Å; F24-R74 HydrophobicContact CZ-CG 3.36Å; F24-M75 HydrophobicContact CE1-CG 4.16Å; F24-M75 HydrophobicContact CE1-SD 3.6Å; F24-M75 VanDerWaalsContact CE1-SD 3.6Å; F24-M75 HydrophobicContact CZ-CG 4.08Å; F24-M75 HydrophobicContact CZ-SD 4.01Å; F24-E78 HydrophobicContact CD1-CG 4.13Å; F24-E78 HydrophobicContact CE1-CG 4.21Å
25Q97.9Very high96.6Very high81 Ų8180.7 Ų80.738%0.37942%0.419SS..  trans-12777.7179.1-59.4-171.43.300110.9E21 A22 S27 F28E21-Q25 HydrophobicContact CG-CG 4.47Å; E21-Q25 PolarHBondContact O-N 3.28Å; A22-Q25 CarbonylContact O-C 3.42Å; Q25-S27 PolarHBondContact O-N 3.49Å; Q25-F28 HydrophobicContact CB-CD1 4.34Å; Q25-F28 HydrophobicContact CB-CD2 4.39Å; Q25-F28 HydrophobicContact CB-CE1 4.29Å; Q25-F28 HydrophobicContact CB-CE2 4.35Å; Q25-F28 HydrophobicContact CB-CG 4.4Å; Q25-F28 HydrophobicContact CB-CZ 4.3Å; Q25-F28 WeakPolarHBondContact O-CB 3.21Å; Q25-F28 PolarHBondContact O-N 3.22Å; Q25-F28 VanDerWaalsContact O-N 3.09Å
26P97.8Very high96.8Very high14 Ų1478.3 Ų78.39%0.09141%0.409CS..G310 helixtrans-60.5-19.1-178.7-26.838000114.4A22 F28 L29 M31 S33A22-P26 WeakPolarHBondContact O-CA 3.5Å; P26-F28 PolarHBondContact O-N 3.05Å; P26-F28 VanDerWaalsContact O-N 3.13Å; P26-L29 WeakPolarHBondContact O-CA 3.47Å; P26-L29 WeakPolarHBondContact O-CB 3.38Å; P26-L29 PolarHBondContact O-N 3.39Å; P26-M31 CarbonylContact C-O 3.58Å; P26-M31 HydrophobicContact CB-CB 3.91Å; P26-M31 PolarHBondContact O-N 3.28Å; P26-S33 WeakPolarHBondContact CB-OG 3.45Å; P26-S33 WeakPolarHBondContact CG-O 3.3Å
27S97.3Very high97Very high82 Ų8270.2 Ų70.257%0.57338%0.38SS*.G310 helixtrans-57.5-23.8173.5600000113.4Q25 L29 G30 M31Q25-S27 PolarHBondContact O-N 3.49Å; S27-L29 PolarHBondContact O-N 3.13Å; S27-G30 PolarHBondContact O-N 3.48Å; S27-M31 PolarHBondContact N-O 2.88Å
28F95.5Very high97.2Very high110 Ų11068 Ų6848%0.48237%0.371SS..G310 helixtrans-61.8-22171.9-71.9-0.3000113.2E21 Q25 P26E21-F28 HydrophobicContact CB-CD2 4.29Å; E21-F28 HydrophobicContact CB-CE2 3.91Å; E21-F28 HydrophobicContact CG-CD2 4.28Å; E21-F28 HydrophobicContact CG-CE2 3.55Å; E21-F28 HydrophobicContact CG-CZ 4.31Å; Q25-F28 HydrophobicContact CB-CD1 4.34Å; Q25-F28 HydrophobicContact CB-CD2 4.39Å; Q25-F28 HydrophobicContact CB-CE1 4.29Å; Q25-F28 HydrophobicContact CB-CE2 4.35Å; Q25-F28 HydrophobicContact CB-CG 4.4Å; Q25-F28 HydrophobicContact CB-CZ 4.3Å; Q25-F28 WeakPolarHBondContact O-CB 3.21Å; Q25-F28 PolarHBondContact O-N 3.22Å; Q25-F28 VanDerWaalsContact O-N 3.09Å; P26-F28 PolarHBondContact O-N 3.05Å; P26-F28 VanDerWaalsContact O-N 3.13Å
29L96.1Very high97.4Very high118 Ų11864 Ų6462%0.61836%0.364SS*.G310 helixtrans-102.47.6175.5-54.8179.4000112.2A22 P26 S27 M31A22-L29 HydrophobicContact CB-CD1 3.92Å; A22-L29 HydrophobicContact CB-CD2 4.28Å; A22-L29 HydrophobicContact CB-CG 3.91Å; P26-L29 WeakPolarHBondContact O-CA 3.47Å; P26-L29 WeakPolarHBondContact O-CB 3.38Å; P26-L29 PolarHBondContact O-N 3.39Å; S27-L29 PolarHBondContact O-N 3.13Å; L29-M31 VanDerWaalsContact C-N 3.27Å; L29-M31 HydrophobicContact CB-CG 4.09Å; L29-M31 HydrophobicContact CB-SD 4.21Å; L29-M31 HydrophobicContact CD1-SD 4.25Å; L29-M31 PolarHBondContact O-N 3.28Å
30G96.2Very high97.5Very high70 Ų7061.8 Ų61.872%0.72235%0.348SS*.THydrogen-bonded Turntrans71.720-173.600000113.8S27S27-G30 PolarHBondContact O-N 3.48Å
31M96.9Very high97.6Very high101 Ų10162.7 Ų62.750%0.49835%0.349SS..  trans-95131.2179.6-60.8177.466.600111.1P26 S27 L29 S33P26-M31 CarbonylContact C-O 3.58Å; P26-M31 HydrophobicContact CB-CB 3.91Å; P26-M31 PolarHBondContact O-N 3.28Å; S27-M31 PolarHBondContact N-O 2.88Å; L29-M31 VanDerWaalsContact C-N 3.27Å; L29-M31 HydrophobicContact CB-CG 4.09Å; L29-M31 HydrophobicContact CB-SD 4.21Å; L29-M31 HydrophobicContact CD1-SD 4.25Å; L29-M31 PolarHBondContact O-N 3.28Å; M31-S33 PolarHBondContact O-N 3.33Å
32E95.7Very high97.6Very high211 Ų21164.1 Ų64.199%0.98636%0.358SS*.  trans-88.940.1174-60.4-172.3159.100112.1
33S96.2Very high97.6Very high56 Ų5666.5 Ų66.539%0.39237%0.374SS..SBendtrans-107.2151.6178.259.40000111.4P26 M31P26-S33 WeakPolarHBondContact CB-OG 3.45Å; P26-S33 WeakPolarHBondContact CG-O 3.3Å; M31-S33 PolarHBondContact O-N 3.33Å
34C97.6Very high97.6Very high60 Ų6064.7 Ų64.741%0.40536%0.364SS..  trans-61.4147.6170.6-65.90000111.9E38C34-E38 WeakPolarHBondContact CA-OE2 3.48Å; C34-E38 HydrophobicContact CB-CB 3.93Å; C34-E38 VanDerWaalsContact CB-OE2 3.32Å; C34-E38 WeakPolarHBondContact CB-OE2 3.31Å; C34-E38 PolarHBondContact SG-OE2 2.97Å; C34-E38 VanDerWaalsContact SG-OE2 3.39Å
35G98.4Very high97.6Very high2 Ų266.6 Ų66.62%0.02137%0.374CS..  trans-67.8169.3170.400000112.4L23 H37 E38 T39L23-G35 CarbonylContact O-C 3.56Å; L23-G35 WeakPolarHBondContact O-CA 3.34Å; G35-H37 VanDerWaalsContact C-N 3.3Å; G35-H37 PolarHBondContact O-N 3.33Å; G35-E38 PolarHBondContact O-N 2.95Å; G35-T39 WeakPolarHBondContact O-CB 3.36Å; G35-T39 PolarHBondContact O-N 3.49Å; G35-T39 PolarHBondContact O-OG1 3.23Å
36I98.6Very high97.6Very high55 Ų5571.4 Ų71.428%0.28239%0.394SS..Hα-helixtrans-61.3-37.5-178.459169.5000112.8L23 F24 T39 T40 I71 M75L23-I36 HydrophobicContact CB-CD1 4.1Å; L23-I36 HydrophobicContact CB-CG1 4.32Å; L23-I36 HydrophobicContact CB-CG2 4.35Å; L23-I36 PolarHBondContact O-N 3.22Å; F24-I36 HydrophobicContact CD1-CG1 4.11Å; F24-I36 HydrophobicContact CE1-CD1 4.01Å; F24-I36 HydrophobicContact CE1-CG1 3.89Å; F24-I36 HydrophobicContact CE2-CD1 4.06Å; F24-I36 HydrophobicContact CE2-CG1 4.48Å; F24-I36 HydrophobicContact CG-CG1 4.48Å; F24-I36 HydrophobicContact CZ-CD1 3.71Å; F24-I36 HydrophobicContact CZ-CG1 4.09Å; I36-T39 PolarHBondContact O-N 3.24Å; I36-T40 WeakPolarHBondContact O-CB 3.46Å; I36-T40 PolarHBondContact O-N 2.96Å; I36-T40 PolarHBondContact O-OG1 3.05Å; I36-I71 HydrophobicContact CD1-CD1 4.27Å; I36-M75 HydrophobicContact CD1-CG 4.41Å; I36-M75 HydrophobicContact CD1-SD 3.7Å; I36-M75 HydrophobicContact CG1-SD 3.76Å
37H98.6Very high97.6Very high18 Ų1872.7 Ų72.78%0.08340%0.403CS..Hα-helixtrans-64.5-49.6178.163.2-61.6000112.6F24 G35 T39 T40 F41 M75 E78 I79F24-H37 HydrophobicContact CD1-CB 4.17Å; F24-H37 AromaticContact CD1-CG 3.99Å; F24-H37 AromaticContact CD1-ND1 3.59Å; F24-H37 HydrophobicContact CE1-CB 4.28Å; F24-H37 PolarHBondContact O-CE1 3.41Å; F24-H37 VanDerWaalsContact O-CE1 3.3Å; G35-H37 VanDerWaalsContact C-N 3.3Å; G35-H37 PolarHBondContact O-N 3.33Å; H37-T39 VanDerWaalsContact C-N 3.33Å; H37-T39 PolarHBondContact O-N 2.93Å; H37-T40 PolarHBondContact O-N 2.72Å; H37-F41 PolarHBondContact O-N 3.13Å; H37-M75 HydrophobicContact CB-SD 4.03Å; H37-E78 HydrophobicContact CB-CB 3.55Å; H37-E78 HydrophobicContact CB-CG 4.09Å; H37-E78 IonicContact CD2-OE2 3.64Å; H37-E78 IonicContact NE2-OE2 3.98Å; H37-I79 HydrophobicContact CB-CD1 4.36Å; H37-I79 WeakPolarHBondContact O-CD1 3.33Å
38E98.4Very high97.6Very high77 Ų7773.7 Ų73.736%0.3640%0.401SS..Hα-helixtrans-61.4-41.8173.6-73.1176-175.500111.6C34 G35 T40 F41 N42 L82C34-E38 WeakPolarHBondContact CA-OE2 3.48Å; C34-E38 HydrophobicContact CB-CB 3.93Å; C34-E38 VanDerWaalsContact CB-OE2 3.32Å; C34-E38 WeakPolarHBondContact CB-OE2 3.31Å; C34-E38 PolarHBondContact SG-OE2 2.97Å; C34-E38 VanDerWaalsContact SG-OE2 3.39Å; G35-E38 PolarHBondContact O-N 2.95Å; E38-T40 VanDerWaalsContact C-N 3.34Å; E38-T40 PolarHBondContact O-N 2.88Å; E38-F41 PolarHBondContact O-N 2.97Å; E38-N42 VanDerWaalsContact O-CB 3.25Å; E38-N42 WeakPolarHBondContact O-CB 3.5Å; E38-N42 PolarHBondContact O-N 3.46Å; E38-N42 PolarHBondContact O-ND2 3.43Å; E38-L82 HydrophobicContact CG-CD1 4.47Å
39T98.6Very high97.7Very high69 Ų6972.8 Ų72.842%0.42341%0.405SS..Hα-helixtrans-62-42.3178.5-60.10000111.3G35 I36 H37 S43G35-T39 WeakPolarHBondContact O-CB 3.36Å; G35-T39 PolarHBondContact O-N 3.49Å; G35-T39 PolarHBondContact O-OG1 3.23Å; I36-T39 PolarHBondContact O-N 3.24Å; H37-T39 VanDerWaalsContact C-N 3.33Å; H37-T39 PolarHBondContact O-N 2.93Å; T39-S43 WeakPolarHBondContact O-CB 3.32Å; T39-S43 PolarHBondContact O-N 2.94Å; T39-S43 PolarHBondContact O-OG 2.89Å
40T98.6Very high97.7Very high37 Ų3773.7 Ų73.723%0.22741%0.41CS..Hα-helixtrans-62-50.1173.2-62.90000111.4I36 H37 E38 N42 S43 I44 T59 I79I36-T40 WeakPolarHBondContact O-CB 3.46Å; I36-T40 PolarHBondContact O-N 2.96Å; I36-T40 PolarHBondContact O-OG1 3.05Å; H37-T40 PolarHBondContact O-N 2.72Å; E38-T40 VanDerWaalsContact C-N 3.34Å; E38-T40 PolarHBondContact O-N 2.88Å; T40-N42 PolarHBondContact O-N 3.05Å; T40-S43 WeakPolarHBondContact O-CB 3.35Å; T40-S43 PolarHBondContact O-N 3.23Å; T40-I44 HydrophobicContact CG2-CD1 4.24Å; T40-I44 WeakPolarHBondContact O-CG1 3.38Å; T40-I44 PolarHBondContact O-N 2.88Å; T40-I44 VanDerWaalsContact O-N 3.09Å; T40-T59 HydrophobicContact CG2-CG2 4.2Å; T40-I79 HydrophobicContact CG2-CD1 4.01Å
41F98.4Very high97.8Very high43 Ų4374.2 Ų74.219%0.18940%0.396CS..Hα-helixtrans-57.7-49.3177.7170-97.3000112.2H37 E38 S43 I44 M45 Y56 I79 L82H37-F41 PolarHBondContact O-N 3.13Å; E38-F41 PolarHBondContact O-N 2.97Å; F41-S43 VanDerWaalsContact C-N 3.27Å; F41-S43 PolarHBondContact O-N 3.43Å; F41-I44 PolarHBondContact O-N 3.13Å; F41-I44 VanDerWaalsContact O-N 3.12Å; F41-M45 HydrophobicContact CD1-CG 4.15Å; F41-M45 HydrophobicContact CD2-CG 4.34Å; F41-M45 HydrophobicContact CE1-CG 3.64Å; F41-M45 HydrophobicContact CE2-CE 4.13Å; F41-M45 HydrophobicContact CE2-CG 3.86Å; F41-M45 HydrophobicContact CE2-SD 4.08Å; F41-M45 HydrophobicContact CG-CG 4.47Å; F41-M45 HydrophobicContact CZ-CG 3.48Å; F41-M45 VanDerWaalsContact CZ-CG 3.48Å; F41-M45 HydrophobicContact CZ-SD 3.94Å; F41-M45 WeakPolarHBondContact O-CG 3.43Å; F41-M45 PolarHBondContact O-N 3.23Å; F41-Y56 WeakPolarHBondContact CD2-OH 3.12Å; F41-Y56 WeakPolarHBondContact CE2-OH 3.33Å; F41-I79 HydrophobicContact CB-CD1 4.37Å; F41-L82 HydrophobicContact CB-CB 4.43Å; F41-L82 HydrophobicContact CB-CD1 3.9Å; F41-L82 HydrophobicContact CD2-CB 3.77Å; F41-L82 HydrophobicContact CE2-CB 4.16Å; F41-L82 WeakPolarHBondContact CE2-O 3.29Å; F41-L82 HydrophobicContact CG-CB 4.04Å; F41-L82 HydrophobicContact CG-CD1 4.18Å
42N98.4Very high97.8Very high66 Ų6672.1 Ų72.135%0.35338%0.382SS..Hα-helixtrans-61.4-36.5179.5-72.8-24.7000111.9E38 T40 M45 K46E38-N42 VanDerWaalsContact O-CB 3.25Å; E38-N42 WeakPolarHBondContact O-CB 3.5Å; E38-N42 PolarHBondContact O-N 3.46Å; E38-N42 PolarHBondContact O-ND2 3.43Å; T40-N42 PolarHBondContact O-N 3.05Å; N42-M45 PolarHBondContact O-N 2.93Å; N42-K46 WeakPolarHBondContact O-CG 3.49Å; N42-K46 PolarHBondContact O-N 3.42Å; N42-K46 VanDerWaalsContact O-N 3.09Å
43S98.6Very high97.9Very high65 Ų6568.8 Ų68.846%0.45536%0.364SS..Hα-helixtrans-64.3-43.9175.4-59.40000111.3T39 T40 F41 M45 K46 C47T39-S43 WeakPolarHBondContact O-CB 3.32Å; T39-S43 PolarHBondContact O-N 2.94Å; T39-S43 PolarHBondContact O-OG 2.89Å; T40-S43 WeakPolarHBondContact O-CB 3.35Å; T40-S43 PolarHBondContact O-N 3.23Å; F41-S43 VanDerWaalsContact C-N 3.27Å; F41-S43 PolarHBondContact O-N 3.43Å; S43-M45 VanDerWaalsContact C-N 3.34Å; S43-M45 PolarHBondContact O-N 3.37Å; S43-K46 PolarHBondContact O-N 3.34Å; S43-C47 PolarHBondContact O-SG 3.19Å
44I98.1Very high98Very high10 Ų1071 Ų715%0.05137%0.372CS..Hα-helixtrans-66-37.1175.7-62.2172.4000111T40 F41 K46 C47 R52 L55 Y56T40-I44 HydrophobicContact CG2-CD1 4.24Å; T40-I44 WeakPolarHBondContact O-CG1 3.38Å; T40-I44 PolarHBondContact O-N 2.88Å; T40-I44 VanDerWaalsContact O-N 3.09Å; F41-I44 PolarHBondContact O-N 3.13Å; F41-I44 VanDerWaalsContact O-N 3.12Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.4Å; I44-C47 WeakPolarHBondContact O-CB 3.47Å; I44-C47 PolarHBondContact O-N 3.39Å; I44-C47 VanDerWaalsContact O-N 3.14Å; I44-R52 HydrophobicContact CG2-CB 3.87Å; I44-R52 HydrophobicContact CG2-CG 3.96Å; I44-R52 PolarHBondContact O-NE 3.35Å; I44-L55 HydrophobicContact CD1-CB 4.23Å; I44-L55 HydrophobicContact CG1-CB 4.04Å; I44-L55 HydrophobicContact CG1-CD1 4.42Å; I44-L55 HydrophobicContact CG2-CB 4.21Å; I44-L55 HydrophobicContact CG2-CD1 4.29Å; I44-Y56 HydrophobicContact CB-CE1 4.42Å; I44-Y56 HydrophobicContact CD1-CD1 3.49Å; I44-Y56 VanDerWaalsContact CD1-CD1 3.49Å; I44-Y56 HydrophobicContact CD1-CE1 3.55Å; I44-Y56 HydrophobicContact CD1-CG 4.18Å; I44-Y56 HydrophobicContact CG2-CD1 4.46Å; I44-Y56 HydrophobicContact CG2-CD2 4.11Å; I44-Y56 HydrophobicContact CG2-CE1 4.13Å; I44-Y56 HydrophobicContact CG2-CE2 3.75Å; I44-Y56 HydrophobicContact CG2-CG 4.46Å
45M97.3Very high98Very high53 Ų5371.2 Ų71.226%0.26137%0.369SS..Hα-helixtrans-69-20.5176.5-71.1-54.895.900114.1F41 N42 S43 C47 R52 Y56F41-M45 HydrophobicContact CD1-CG 4.15Å; F41-M45 HydrophobicContact CD2-CG 4.34Å; F41-M45 HydrophobicContact CE1-CG 3.64Å; F41-M45 HydrophobicContact CE2-CE 4.13Å; F41-M45 HydrophobicContact CE2-CG 3.86Å; F41-M45 HydrophobicContact CE2-SD 4.08Å; F41-M45 HydrophobicContact CG-CG 4.47Å; F41-M45 HydrophobicContact CZ-CG 3.48Å; F41-M45 VanDerWaalsContact CZ-CG 3.48Å; F41-M45 HydrophobicContact CZ-SD 3.94Å; F41-M45 WeakPolarHBondContact O-CG 3.43Å; F41-M45 PolarHBondContact O-N 3.23Å; N42-M45 PolarHBondContact O-N 2.93Å; S43-M45 VanDerWaalsContact C-N 3.34Å; S43-M45 PolarHBondContact O-N 3.37Å; M45-C47 VanDerWaalsContact C-N 3.32Å; M45-R52 PolarHBondContact O-NH2 3.09Å; M45-R52 PolarHBondContact SD-NH1 3.06Å; M45-Y56 HydrophobicContact CE-CE2 4.04Å; M45-Y56 WeakPolarHBondContact CE-OH 3.16Å
46K98.3Very high98Very high183 Ų18371.1 Ų71.180%0.79637%0.368SS*.Hα-helixtrans-80.2-15.8172.4-73.5173.5-179.8-178.30113N42 S43 I44N42-K46 WeakPolarHBondContact O-CG 3.49Å; N42-K46 PolarHBondContact O-N 3.42Å; N42-K46 VanDerWaalsContact O-N 3.09Å; S43-K46 PolarHBondContact O-N 3.34Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.4Å
47C98.1Very high98Very high41 Ų4169.7 Ų69.728%0.27736%0.364SS..SBendtrans-80.2159.2175.7-65.90000112S43 I44 M45 I51 R52 L55S43-C47 PolarHBondContact O-SG 3.19Å; I44-C47 WeakPolarHBondContact O-CB 3.47Å; I44-C47 PolarHBondContact O-N 3.39Å; I44-C47 VanDerWaalsContact O-N 3.14Å; M45-C47 VanDerWaalsContact C-N 3.32Å; C47-I51 HydrophobicContact CB-CD1 3.87Å; C47-I51 HydrophobicContact CB-CG1 3.97Å; C47-R52 VanDerWaalsContact O-CZ 3.31Å; C47-R52 PolarHBondContact O-NE 3.09Å; C47-R52 PolarHBondContact O-NH2 2.72Å; C47-L55 HydrophobicContact CB-CD1 3.76Å; C47-L55 VanDerWaalsContact SG-CD1 3.59Å
48D97.6Very high98Very high102 Ų10273.1 Ų73.155%0.54538%0.383SS..  trans-54.6140.9171.1-162.1-46.5000110.6D50 I51 R52D48-D50 PolarHBondContact O-N 3Å; D48-D50 PolarHBondContact OD1-N 3.33Å; D48-I51 HydrophobicContact CB-CG1 4.4Å; D48-I51 VanDerWaalsContact O-CG1 3.29Å; D48-I51 WeakPolarHBondContact O-CG1 3.39Å; D48-I51 PolarHBondContact O-N 3.25Å; D48-R52 VanDerWaalsContact O-CG 3.29Å; D48-R52 WeakPolarHBondContact O-CG 3.13Å
49V96.2Very high98Very high92 Ų9270.3 Ų70.356%0.55837%0.371SS*.Hα-helixtrans-55.2-35.5-179.168.70000112.2I51 R52V49-I51 VanDerWaalsContact C-N 3.26Å; V49-I51 PolarHBondContact O-N 3.49Å; V49-R52 PolarHBondContact O-N 3.46Å
50D97Very high97.9Very high136 Ų13671.2 Ų71.273%0.72738%0.376SS*.Hα-helixtrans-66.1-28.1-174.9-71.8-15.3000112.8D48D48-D50 PolarHBondContact O-N 3Å; D48-D50 PolarHBondContact OD1-N 3.33Å
51I97.9Very high97.9Very high82 Ų8270.2 Ų70.242%0.42137%0.369SS..Hα-helixtrans-97.3-11.2-178.666.9168.4000113.8C47 D48 V49 K53 D54 L55C47-I51 HydrophobicContact CB-CD1 3.87Å; C47-I51 HydrophobicContact CB-CG1 3.97Å; D48-I51 HydrophobicContact CB-CG1 4.4Å; D48-I51 VanDerWaalsContact O-CG1 3.29Å; D48-I51 WeakPolarHBondContact O-CG1 3.39Å; D48-I51 PolarHBondContact O-N 3.25Å; V49-I51 VanDerWaalsContact C-N 3.26Å; V49-I51 PolarHBondContact O-N 3.49Å; I51-K53 VanDerWaalsContact C-N 3.28Å; I51-K53 PolarHBondContact O-N 3.25Å; I51-D54 PolarHBondContact O-N 3.14Å; I51-D54 VanDerWaalsContact O-N 3.11Å; I51-L55 HydrophobicContact CD1-CD1 4.13Å; I51-L55 HydrophobicContact CG1-CD1 4.14Å; I51-L55 WeakPolarHBondContact O-CG 3.2Å; I51-L55 PolarHBondContact O-N 2.9Å; I51-L55 VanDerWaalsContact O-N 3.1Å
52R97.8Very high97.9Very high56 Ų5670.5 Ų70.521%0.21138%0.377CS..Hα-helixtrans-61-37.7-173.4-62.3-177.9-175-1743.1112.8I44 M45 C47 D48 V49 D54 L55 Y56I44-R52 HydrophobicContact CG2-CB 3.87Å; I44-R52 HydrophobicContact CG2-CG 3.96Å; I44-R52 PolarHBondContact O-NE 3.35Å; M45-R52 PolarHBondContact O-NH2 3.09Å; M45-R52 PolarHBondContact SD-NH1 3.06Å; C47-R52 VanDerWaalsContact O-CZ 3.31Å; C47-R52 PolarHBondContact O-NE 3.09Å; C47-R52 PolarHBondContact O-NH2 2.72Å; D48-R52 VanDerWaalsContact O-CG 3.29Å; D48-R52 WeakPolarHBondContact O-CG 3.13Å; V49-R52 PolarHBondContact O-N 3.46Å; R52-D54 VanDerWaalsContact C-N 3.27Å; R52-D54 PolarHBondContact O-N 3.36Å; R52-L55 PolarHBondContact O-N 2.84Å; R52-Y56 HydrophobicContact CB-CD2 4.44Å; R52-Y56 HydrophobicContact CB-CE2 4.4Å; R52-Y56 WeakPolarHBondContact O-CD2 3.45Å; R52-Y56 PolarHBondContact O-N 3.22Å
53K97.3Very high97.9Very high142 Ų14268.5 Ų68.562%0.61737%0.372SS*.Hα-helixtrans-57.7-43.8178.2-177.5-177176.1-174.90111I51 A57 M87I51-K53 VanDerWaalsContact C-N 3.28Å; I51-K53 PolarHBondContact O-N 3.25Å; K53-A57 WeakPolarHBondContact O-CB 3.44Å; K53-A57 PolarHBondContact O-N 3.23Å; K53-A57 VanDerWaalsContact O-N 3.11Å; K53-M87 HydrophobicContact CB-SD 4.21Å
54D97.8Very high97.9Very high103 Ų10367.9 Ų67.955%0.55138%0.375SS*.Hα-helixtrans-71.7-38.3-179.7-69-17.2000111.4I51 R52 A57 N58I51-D54 PolarHBondContact O-N 3.14Å; I51-D54 VanDerWaalsContact O-N 3.11Å; R52-D54 VanDerWaalsContact C-N 3.27Å; R52-D54 PolarHBondContact O-N 3.36Å; D54-A57 PolarHBondContact O-N 3.47Å; D54-N58 WeakPolarHBondContact O-CB 3.3Å; D54-N58 PolarHBondContact O-N 2.81Å; D54-N58 VanDerWaalsContact O-N 3.14Å; D54-N58 PolarHBondContact O-ND2 2.9Å
55L98.3Very high97.9Very high64 Ų6471.5 Ų71.534%0.33540%0.398SS..Hα-helixtrans-62-44.3175.3-64.1175.1000112I44 C47 I51 R52 A57 N58 T59I44-L55 HydrophobicContact CD1-CB 4.23Å; I44-L55 HydrophobicContact CG1-CB 4.04Å; I44-L55 HydrophobicContact CG1-CD1 4.42Å; I44-L55 HydrophobicContact CG2-CB 4.21Å; I44-L55 HydrophobicContact CG2-CD1 4.29Å; C47-L55 HydrophobicContact CB-CD1 3.76Å; C47-L55 VanDerWaalsContact SG-CD1 3.59Å; I51-L55 HydrophobicContact CD1-CD1 4.13Å; I51-L55 HydrophobicContact CG1-CD1 4.14Å; I51-L55 WeakPolarHBondContact O-CG 3.2Å; I51-L55 PolarHBondContact O-N 2.9Å; I51-L55 VanDerWaalsContact O-N 3.1Å; R52-L55 PolarHBondContact O-N 2.84Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-A57 PolarHBondContact O-N 2.81Å; L55-N58 CarbonylContact O-C 3.47Å; L55-N58 PolarHBondContact O-N 2.98Å; L55-T59 PolarHBondContact O-N 3.22Å; L55-T59 PolarHBondContact O-OG1 3.38Å
56Y98.3Very high98Very high0 Ų070.1 Ų70.10%039%0.393CS..Hα-helixtrans-64.6-36.5176.2-80.1-52.4000113.5F41 I44 M45 R52 N58 I79 A83 M87 K88 I89 K90F41-Y56 WeakPolarHBondContact CD2-OH 3.12Å; F41-Y56 WeakPolarHBondContact CE2-OH 3.33Å; I44-Y56 HydrophobicContact CB-CE1 4.42Å; I44-Y56 HydrophobicContact CD1-CD1 3.49Å; I44-Y56 VanDerWaalsContact CD1-CD1 3.49Å; I44-Y56 HydrophobicContact CD1-CE1 3.55Å; I44-Y56 HydrophobicContact CD1-CG 4.18Å; I44-Y56 HydrophobicContact CG2-CD1 4.46Å; I44-Y56 HydrophobicContact CG2-CD2 4.11Å; I44-Y56 HydrophobicContact CG2-CE1 4.13Å; I44-Y56 HydrophobicContact CG2-CE2 3.75Å; I44-Y56 HydrophobicContact CG2-CG 4.46Å; M45-Y56 HydrophobicContact CE-CE2 4.04Å; M45-Y56 WeakPolarHBondContact CE-OH 3.16Å; R52-Y56 HydrophobicContact CB-CD2 4.44Å; R52-Y56 HydrophobicContact CB-CE2 4.4Å; R52-Y56 WeakPolarHBondContact O-CD2 3.45Å; R52-Y56 PolarHBondContact O-N 3.22Å; Y56-N58 PolarHBondContact O-N 2.94Å; Y56-I79 HydrophobicContact CD1-CG2 3.91Å; Y56-I79 HydrophobicContact CE1-CG2 3.86Å; Y56-A83 HydrophobicContact CD1-CB 4.4Å; Y56-A83 HydrophobicContact CE1-CB 3.8Å; Y56-A83 HydrophobicContact CE2-CB 4.27Å; Y56-M87 HydrophobicContact CD2-CB 4.02Å; Y56-M87 HydrophobicContact CD2-CG 3.75Å; Y56-M87 HydrophobicContact CD2-SD 3.87Å; Y56-M87 HydrophobicContact CE2-CB 4.47Å; Y56-M87 HydrophobicContact CE2-CG 3.93Å; Y56-M87 HydrophobicContact CE2-SD 4.34Å; Y56-M87 HydrophobicContact CG-CB 4.45Å; Y56-K88 CarbonylContact C-O 3.56Å; Y56-I89 HydrophobicContact CD1-CD1 3.52Å; Y56-I89 HydrophobicContact CD2-CD1 4.39Å; Y56-I89 HydrophobicContact CE1-CD1 4.18Å; Y56-I89 HydrophobicContact CG-CD1 3.63Å; Y56-K90 PolarHBondContact O-N 3.38Å
57A98.1Very high98Very high24 Ų2464.7 Ų64.720%0.19837%0.371CS..Hα-helixtrans-77.9-7.2178.700000113.5K53 D54 L55 K90K53-A57 WeakPolarHBondContact O-CB 3.44Å; K53-A57 PolarHBondContact O-N 3.23Å; K53-A57 VanDerWaalsContact O-N 3.11Å; D54-A57 PolarHBondContact O-N 3.47Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-A57 PolarHBondContact O-N 2.81Å; A57-K90 WeakPolarHBondContact O-CB 3.36Å; A57-K90 WeakPolarHBondContact O-CD 3.36Å
58N98.1Very high98Very high90 Ų9067.1 Ų67.148%0.48138%0.375SS..THydrogen-bonded Turntrans-139.743.3-173.8-61.4-73.9000112.6D54 L55 Y56 V60D54-N58 WeakPolarHBondContact O-CB 3.3Å; D54-N58 PolarHBondContact O-N 2.81Å; D54-N58 VanDerWaalsContact O-N 3.14Å; D54-N58 PolarHBondContact O-ND2 2.9Å; L55-N58 CarbonylContact O-C 3.47Å; L55-N58 PolarHBondContact O-N 2.98Å; Y56-N58 PolarHBondContact O-N 2.94Å; N58-V60 PolarHBondContact O-N 3.23Å
59T98.4Very high98Very high18 Ų1868.4 Ų68.411%0.1139%0.389CS..EExtended strand (participates in β ladder)trans-78.1109.4173.6-61.80000109.9T40 L55 K90 I91 I92T40-T59 HydrophobicContact CG2-CG2 4.2Å; L55-T59 PolarHBondContact O-N 3.22Å; L55-T59 PolarHBondContact O-OG1 3.38Å; T59-K90 PolarHBondContact N-O 3.34Å; T59-I91 HydrophobicContact CG2-CD1 3.76Å; T59-I91 WeakPolarHBondContact O-CA 3.33Å; T59-I92 PolarHBondContact O-N 3.24Å
60V98.5Very high98Very high88 Ų8866 Ų6653%0.53338%0.382SS..EExtended strand (participates in β ladder)trans-102.5128.2-175.9-173.20000111.1N58 I92N58-V60 PolarHBondContact O-N 3.23Å; V60-I92 CarbonylContact C-O 3.59Å; V60-I92 WeakPolarHBondContact CA-O 3.46Å; V60-I92 HydrophobicContact CG2-CB 4.22Å; V60-I92 HydrophobicContact CG2-CD1 4.15Å
61L98.6Very high98.1Very high17 Ų1760 Ų609%0.08935%0.35CS..  trans-89.3134.4174.4-57.8-172.3000111T66 I71 A72 I91 I92 A93 R97L61-T66 HydrophobicContact CB-CG2 4.37Å; L61-I71 HydrophobicContact CD1-CG2 4.05Å; L61-A72 HydrophobicContact CD1-CB 4.23Å; L61-I91 HydrophobicContact CD1-CG2 3.83Å; L61-I91 HydrophobicContact CD2-CG2 4.28Å; L61-I91 HydrophobicContact CG-CG2 3.82Å; L61-I92 PolarHBondContact N-O 2.98Å; L61-A93 HydrophobicContact CB-CB 4.34Å; L61-A93 HydrophobicContact CD1-CB 4.11Å; L61-A93 HydrophobicContact CG-CB 4.48Å; L61-R97 WeakPolarHBondContact O-CB 3.37Å
62S98.4Very high98.1Very high49 Ų4957.2 Ų57.234%0.34334%0.339SS..  trans-142.5151.2178.6-178.60000110.6T66S62-T66 WeakPolarHBondContact O-CG2 3.42Å
63G98.1Very high98.1Very high24 Ų2460.3 Ų60.325%0.24736%0.36CS..SBendtrans96.3156.9175.600000114.7T65 T66 R97G63-T65 PolarHBondContact O-N 3.47Å; G63-T66 PolarHBondContact O-N 3.3Å; G63-T66 VanDerWaalsContact O-N 3.09Å; G63-T66 PolarHBondContact O-OG1 3.47Å; G63-R97 PolarHBondContact N-O 3.13Å
64G98.1Very high98.2Very high51 Ų5156.7 Ų56.753%0.52634%0.343SS..G310 helixtrans-59.4-39.7-171.300000114.5T66 M67G64-T66 PolarHBondContact O-N 3.38Å; G64-M67 WeakPolarHBondContact O-CB 3.44Å; G64-M67 WeakPolarHBondContact O-CG 3.37Å; G64-M67 PolarHBondContact O-N 3.32Å
65T98.4Very high98.2Very high86 Ų8652 Ų5253%0.52832%0.317SS..G310 helixtrans-65.8-21.6179-51.50000112.7L23 G63 M67 Y68L23-T65 HydrophobicContact CD1-CG2 3.86Å; L23-T65 HydrophobicContact CD2-CG2 3.95Å; G63-T65 PolarHBondContact O-N 3.47Å; T65-M67 PolarHBondContact O-N 2.8Å; T65-Y68 HydrophobicContact CG2-CE2 3.98Å; T65-Y68 WeakPolarHBondContact O-CD2 3.22Å
66T98.4Very high98.2Very high25 Ų2551.7 Ų51.715%0.15331%0.314CS..G310 helixtrans-80.65.5173.575.10000113.2L61 S62 G63 G64 Y68 I71 R97L61-T66 HydrophobicContact CB-CG2 4.37Å; S62-T66 WeakPolarHBondContact O-CG2 3.42Å; G63-T66 PolarHBondContact O-N 3.3Å; G63-T66 VanDerWaalsContact O-N 3.09Å; G63-T66 PolarHBondContact O-OG1 3.47Å; G64-T66 PolarHBondContact O-N 3.38Å; T66-Y68 VanDerWaalsContact C-N 3.32Å; T66-I71 WeakPolarHBondContact O-CG2 3.32Å; T66-R97 VanDerWaalsContact O-CZ 3.32Å; T66-R97 PolarHBondContact O-NE 3.09Å; T66-R97 PolarHBondContact O-NH2 2.75Å; T66-R97 WeakPolarHBondContact OG1-CD 3.04Å; T66-R97 PolarHBondContact OG1-NE 3.24Å
67M98.3Very high98.2Very high69 Ų6959.1 Ų59.134%0.3435%0.346SS..G310 helixtrans-82.8-6.8178.8-63.8-64.5-65.300113.6G64 T65 P69 R97 K98G64-M67 WeakPolarHBondContact O-CB 3.44Å; G64-M67 WeakPolarHBondContact O-CG 3.37Å; G64-M67 PolarHBondContact O-N 3.32Å; T65-M67 PolarHBondContact O-N 2.8Å; M67-P69 WeakPolarHBondContact O-CD 3.47Å; M67-R97 HydrophobicContact SD-CG 3.45Å; M67-R97 WeakPolarHBondContact SD-CG 3.46Å; M67-R97 VanDerWaalsContact SD-CZ 3.52Å; M67-K98 HydrophobicContact CG-CB 4.21Å; M67-K98 HydrophobicContact SD-CB 4.29Å
68Y98.1Very high98.3Very high92 Ų9260 Ų6036%0.36135%0.346SS..SBendtrans-54.9126.3175.2-71.6-65.8000110.8P20 L23 T65 T66 G70 I71P20-Y68 HydrophobicContact CB-CD1 3.99Å; P20-Y68 HydrophobicContact CB-CD2 3.76Å; P20-Y68 HydrophobicContact CB-CE1 4.1Å; P20-Y68 HydrophobicContact CB-CE2 3.89Å; P20-Y68 HydrophobicContact CB-CG 3.84Å; P20-Y68 HydrophobicContact CG-CD1 4.24Å; P20-Y68 HydrophobicContact CG-CE1 4.4Å; P20-Y68 HydrophobicContact CG-CG 4.47Å; L23-Y68 HydrophobicContact CD1-CD2 4.1Å; L23-Y68 HydrophobicContact CD1-CE2 4.14Å; T65-Y68 HydrophobicContact CG2-CE2 3.98Å; T65-Y68 WeakPolarHBondContact O-CD2 3.22Å; T66-Y68 VanDerWaalsContact C-N 3.32Å; Y68-G70 PolarHBondContact O-N 2.86Å; Y68-I71 WeakPolarHBondContact O-CB 3.43Å; Y68-I71 WeakPolarHBondContact O-CG2 3.37Å; Y68-I71 PolarHBondContact O-N 3.37Å
69P97.1Very high98.3Very high129 Ų12955.7 Ų55.784%0.83832%0.323SS*.THydrogen-bonded Turntrans-56.5136.9175.4-25.835000111.4M67 I71M67-P69 WeakPolarHBondContact O-CD 3.47Å; P69-I71 VanDerWaalsContact C-N 3.28Å; P69-I71 PolarHBondContact O-N 3.07Å
70G97.6Very high98.3Very high40 Ų4058.5 Ų58.541%0.41234%0.341SS..THydrogen-bonded Turntrans78.6-1.4-179.400000115.6Y68 A72 D73 R74Y68-G70 PolarHBondContact O-N 2.86Å; G70-A72 VanDerWaalsContact C-N 3.28Å; G70-A72 PolarHBondContact O-N 2.81Å; G70-D73 PolarHBondContact O-N 2.88Å; G70-R74 WeakPolarHBondContact O-CB 3.25Å; G70-R74 PolarHBondContact O-N 2.91Å
71I98.4Very high98.2Very high11 Ų1158.2 Ų58.26%0.05635%0.348CS..Hα-helixtrans-63.2-35178.7-162.5176.8000112.6L23 F24 I36 L61 T66 Y68 P69 R74 M75L23-I71 HydrophobicContact CD1-CD1 4.26Å; F24-I71 HydrophobicContact CE2-CG1 4.29Å; F24-I71 HydrophobicContact CZ-CG1 4.11Å; I36-I71 HydrophobicContact CD1-CD1 4.27Å; L61-I71 HydrophobicContact CD1-CG2 4.05Å; T66-I71 WeakPolarHBondContact O-CG2 3.32Å; Y68-I71 WeakPolarHBondContact O-CB 3.43Å; Y68-I71 WeakPolarHBondContact O-CG2 3.37Å; Y68-I71 PolarHBondContact O-N 3.37Å; P69-I71 VanDerWaalsContact C-N 3.28Å; P69-I71 PolarHBondContact O-N 3.07Å; I71-R74 PolarHBondContact O-N 3.08Å; I71-M75 WeakPolarHBondContact O-CB 3.43Å; I71-M75 WeakPolarHBondContact O-CG 3.44Å; I71-M75 PolarHBondContact O-N 3.03Å
72A98.4Very high98.2Very high23 Ų2360.7 Ų60.719%0.1936%0.361CS..Hα-helixtrans-65.9-45177.500000111L61 G70 M75 Q76 I91 A93L61-A72 HydrophobicContact CD1-CB 4.23Å; G70-A72 VanDerWaalsContact C-N 3.28Å; G70-A72 PolarHBondContact O-N 2.81Å; A72-M75 PolarHBondContact O-N 2.91Å; A72-Q76 VanDerWaalsContact O-CB 3.28Å; A72-Q76 WeakPolarHBondContact O-CB 3.5Å; A72-Q76 PolarHBondContact O-N 3.3Å; A72-I91 HydrophobicContact CB-CG2 4.1Å; A72-A93 HydrophobicContact CB-CB 3.93Å
73D98.4Very high98Very high122 Ų12258.9 Ų58.965%0.65235%0.349SS*.Hα-helixtrans-64.6-40.7176.9-56.2-45.4000111.5G70 Q76 K77G70-D73 PolarHBondContact O-N 2.88Å; D73-Q76 WeakPolarHBondContact O-CB 3.35Å; D73-Q76 PolarHBondContact O-N 3.32Å; D73-K77 PolarHBondContact O-N 3.4Å
74R98.4Very high97.8Very high66 Ų6660.8 Ų60.825%0.24936%0.356CS..Hα-helixtrans-62.4-50.1175179.860.2-179.1-77.1-1.6111.3E21 F24 G70 I71 Q76 K77 E78E21-R74 VanDerWaalsContact CD-NH1 3.29Å; E21-R74 IonicContact OE1-CZ 3.36Å; E21-R74 IonicContact OE1-NH1 3.07Å; E21-R74 PolarHBondContact OE1-NH1 3.26Å; E21-R74 IonicContact OE1-NH2 2.77Å; E21-R74 PolarHBondContact OE1-NH2 3.39Å; E21-R74 IonicContact OE2-CZ 3.73Å; E21-R74 IonicContact OE2-NH1 2.71Å; E21-R74 PolarHBondContact OE2-NH1 3.33Å; E21-R74 IonicContact OE2-NH2 3.9Å; F24-R74 HydrophobicContact CD1-CG 4.1Å; F24-R74 HydrophobicContact CD2-CG 4.32Å; F24-R74 HydrophobicContact CE1-CB 4.47Å; F24-R74 HydrophobicContact CE1-CG 3.54Å; F24-R74 HydrophobicContact CE2-CG 3.78Å; F24-R74 HydrophobicContact CG-CG 4.47Å; F24-R74 HydrophobicContact CZ-CB 4Å; F24-R74 HydrophobicContact CZ-CG 3.36Å; G70-R74 WeakPolarHBondContact O-CB 3.25Å; G70-R74 PolarHBondContact O-N 2.91Å; I71-R74 PolarHBondContact O-N 3.08Å; R74-Q76 VanDerWaalsContact C-N 3.3Å; R74-Q76 PolarHBondContact O-N 3.23Å; R74-K77 PolarHBondContact O-N 3.47Å; R74-E78 HydrophobicContact CG-CG 4.41Å; R74-E78 IonicContact CZ-OE1 3.25Å; R74-E78 VanDerWaalsContact CZ-OE1 3.25Å; R74-E78 IonicContact NE-OE1 2.73Å; R74-E78 PolarHBondContact NE-OE1 2.94Å; R74-E78 IonicContact NH2-OE1 2.94Å; R74-E78 PolarHBondContact NH2-OE1 2.82Å; R74-E78 WeakPolarHBondContact O-CG 3.35Å; R74-E78 PolarHBondContact O-N 3.12Å
75M98.5Very high97.6Very high4 Ų464.5 Ų64.52%0.0237%0.374CS..Hα-helixtrans-59-42.2175.9-78.1-65.6-71.800111.7F24 I36 H37 I71 A72 K77 E78 I79 I91F24-M75 HydrophobicContact CE1-CG 4.16Å; F24-M75 HydrophobicContact CE1-SD 3.6Å; F24-M75 VanDerWaalsContact CE1-SD 3.6Å; F24-M75 HydrophobicContact CZ-CG 4.08Å; F24-M75 HydrophobicContact CZ-SD 4.01Å; I36-M75 HydrophobicContact CD1-CG 4.41Å; I36-M75 HydrophobicContact CD1-SD 3.7Å; I36-M75 HydrophobicContact CG1-SD 3.76Å; H37-M75 HydrophobicContact CB-SD 4.03Å; I71-M75 WeakPolarHBondContact O-CB 3.43Å; I71-M75 WeakPolarHBondContact O-CG 3.44Å; I71-M75 PolarHBondContact O-N 3.03Å; A72-M75 PolarHBondContact O-N 2.91Å; M75-K77 VanDerWaalsContact C-N 3.33Å; M75-K77 PolarHBondContact O-N 3.39Å; M75-E78 PolarHBondContact O-N 2.84Å; M75-I79 HydrophobicContact CE-CD1 4.48Å; M75-I79 HydrophobicContact CE-CG1 4.35Å; M75-I79 WeakPolarHBondContact O-CB 3.21Å; M75-I79 VanDerWaalsContact O-CG1 3.26Å; M75-I79 WeakPolarHBondContact O-CG1 3.45Å; M75-I79 PolarHBondContact O-N 3.47Å; M75-I91 HydrophobicContact CB-CD1 4.31Å; M75-I91 HydrophobicContact CB-CG1 4.1Å; M75-I91 HydrophobicContact CB-CG2 4.36Å
76Q98.5Very high97.3Very high58 Ų5866.4 Ų66.427%0.27139%0.386SS..Hα-helixtrans-58.3-47.8177.7-179.46962.700110.5A72 D73 R74 T80 I89 I91A72-Q76 VanDerWaalsContact O-CB 3.28Å; A72-Q76 WeakPolarHBondContact O-CB 3.5Å; A72-Q76 PolarHBondContact O-N 3.3Å; D73-Q76 WeakPolarHBondContact O-CB 3.35Å; D73-Q76 PolarHBondContact O-N 3.32Å; R74-Q76 VanDerWaalsContact C-N 3.3Å; R74-Q76 PolarHBondContact O-N 3.23Å; Q76-T80 PolarHBondContact NE2-OG1 3.45Å; Q76-T80 VanDerWaalsContact O-CB 3.25Å; Q76-T80 WeakPolarHBondContact O-CB 3.48Å; Q76-T80 PolarHBondContact O-N 2.8Å; Q76-T80 PolarHBondContact O-OG1 3.28Å; Q76-I89 VanDerWaalsContact NE2-CB 3.31Å; Q76-I89 VanDerWaalsContact NE2-CG2 3.31Å; Q76-I89 PolarHBondContact NE2-O 2.98Å; Q76-I89 PolarHBondContact OE1-O 3.34Å; Q76-I91 HydrophobicContact CB-CG1 3.83Å; Q76-I91 VanDerWaalsContact OE1-N 3.16Å
77K98.4Very high97.1Very high155 Ų15567.4 Ų67.467%0.67439%0.39SS*.Hα-helixtrans-61.5-49.1177.3-177.8-177174.7-174.30112.4D73 R74 M75 T80 A81D73-K77 PolarHBondContact O-N 3.4Å; R74-K77 PolarHBondContact O-N 3.47Å; M75-K77 VanDerWaalsContact C-N 3.33Å; M75-K77 PolarHBondContact O-N 3.39Å; K77-T80 PolarHBondContact O-N 3.09Å; K77-A81 PolarHBondContact O-N 2.81Å; K77-A81 VanDerWaalsContact O-N 3.1Å
78E98.4Very high97Very high42 Ų4271.8 Ų71.820%0.19641%0.407CS..Hα-helixtrans-64.7-46-177-66.7-66.417500111.8F24 H37 R74 M75 T80 A81 L82F24-E78 HydrophobicContact CD1-CG 4.13Å; F24-E78 HydrophobicContact CE1-CG 4.21Å; H37-E78 HydrophobicContact CB-CB 3.55Å; H37-E78 HydrophobicContact CB-CG 4.09Å; H37-E78 IonicContact CD2-OE2 3.64Å; H37-E78 IonicContact NE2-OE2 3.98Å; R74-E78 HydrophobicContact CG-CG 4.41Å; R74-E78 IonicContact CZ-OE1 3.25Å; R74-E78 VanDerWaalsContact CZ-OE1 3.25Å; R74-E78 IonicContact NE-OE1 2.73Å; R74-E78 PolarHBondContact NE-OE1 2.94Å; R74-E78 IonicContact NH2-OE1 2.94Å; R74-E78 PolarHBondContact NH2-OE1 2.82Å; R74-E78 WeakPolarHBondContact O-CG 3.35Å; R74-E78 PolarHBondContact O-N 3.12Å; M75-E78 PolarHBondContact O-N 2.84Å; E78-T80 PolarHBondContact O-N 3.23Å; E78-A81 PolarHBondContact O-N 2.88Å; E78-L82 WeakPolarHBondContact O-CG 3.09Å; E78-L82 PolarHBondContact O-N 3.45Å; E78-L82 VanDerWaalsContact O-N 3.15Å
79I98.3Very high97Very high0 Ų068.3 Ų68.30%039%0.394CS..Hα-helixtrans-68-37.9179.5-61.1-62.3000111.1H37 T40 F41 Y56 M75 A81 L82 A83 I89H37-I79 HydrophobicContact CB-CD1 4.36Å; H37-I79 WeakPolarHBondContact O-CD1 3.33Å; T40-I79 HydrophobicContact CG2-CD1 4.01Å; F41-I79 HydrophobicContact CB-CD1 4.37Å; Y56-I79 HydrophobicContact CD1-CG2 3.91Å; Y56-I79 HydrophobicContact CE1-CG2 3.86Å; M75-I79 HydrophobicContact CE-CD1 4.48Å; M75-I79 HydrophobicContact CE-CG1 4.35Å; M75-I79 WeakPolarHBondContact O-CB 3.21Å; M75-I79 VanDerWaalsContact O-CG1 3.26Å; M75-I79 WeakPolarHBondContact O-CG1 3.45Å; M75-I79 PolarHBondContact O-N 3.47Å; I79-A81 PolarHBondContact O-N 3.28Å; I79-L82 PolarHBondContact O-N 3.22Å; I79-A83 VanDerWaalsContact O-CB 3.22Å; I79-A83 WeakPolarHBondContact O-CB 3.29Å; I79-A83 PolarHBondContact O-N 3.24Å; I79-I89 HydrophobicContact CB-CG2 3.92Å; I79-I89 HydrophobicContact CG2-CD1 4.08Å; I79-I89 HydrophobicContact CG2-CG1 4.23Å; I79-I89 HydrophobicContact CG2-CG2 3.55Å
80T98.1Very high97.1Very high77 Ų7767.2 Ų67.247%0.47238%0.376SS..Hα-helixtrans-62.1-31.9173.7-68.50000112.5Q76 K77 E78Q76-T80 PolarHBondContact NE2-OG1 3.45Å; Q76-T80 VanDerWaalsContact O-CB 3.25Å; Q76-T80 WeakPolarHBondContact O-CB 3.48Å; Q76-T80 PolarHBondContact O-N 2.8Å; Q76-T80 PolarHBondContact O-OG1 3.28Å; K77-T80 PolarHBondContact O-N 3.09Å; E78-T80 PolarHBondContact O-N 3.23Å
81A97.9Very high97.1Very high83 Ų8366.4 Ų66.469%0.68636%0.362SS*.Hα-helixtrans-73.8-32.2176.100000113.1K77 E78 I79K77-A81 PolarHBondContact O-N 2.81Å; K77-A81 VanDerWaalsContact O-N 3.1Å; E78-A81 PolarHBondContact O-N 2.88Å; I79-A81 PolarHBondContact O-N 3.28Å
82L97.3Very high97.1Very high69 Ų6968.1 Ų68.136%0.36137%0.371SS..Hα-helixtrans-86.3-35.6-179.1-67.2174.1000113.6E38 F41 E78 I79E38-L82 HydrophobicContact CG-CD1 4.47Å; F41-L82 HydrophobicContact CB-CB 4.43Å; F41-L82 HydrophobicContact CB-CD1 3.9Å; F41-L82 HydrophobicContact CD2-CB 3.77Å; F41-L82 HydrophobicContact CE2-CB 4.16Å; F41-L82 WeakPolarHBondContact CE2-O 3.29Å; F41-L82 HydrophobicContact CG-CB 4.04Å; F41-L82 HydrophobicContact CG-CD1 4.18Å; E78-L82 WeakPolarHBondContact O-CG 3.09Å; E78-L82 PolarHBondContact O-N 3.45Å; E78-L82 VanDerWaalsContact O-N 3.15Å; I79-L82 PolarHBondContact O-N 3.22Å
83A95.4Very high97.1Very high11 Ų1168.7 Ų68.79%0.09138%0.376CS..SBendtrans-77.3153.5-174.500000112.4Y56 I79 S85 M87 I89Y56-A83 HydrophobicContact CD1-CB 4.4Å; Y56-A83 HydrophobicContact CE1-CB 3.8Å; Y56-A83 HydrophobicContact CE2-CB 4.27Å; I79-A83 VanDerWaalsContact O-CB 3.22Å; I79-A83 WeakPolarHBondContact O-CB 3.29Å; I79-A83 PolarHBondContact O-N 3.24Å; A83-S85 PolarHBondContact O-N 2.8Å; A83-M87 HydrophobicContact CB-CB 4.44Å; A83-I89 HydrophobicContact CB-CD1 3.65Å; A83-I89 HydrophobicContact CB-CG1 4.32Å
84P93.8Very high97.1Very high63 Ų6364.2 Ų64.241%0.40935%0.354SS..  trans-55139.8170.6-23.733.2000111.5T86 M87P84-T86 PolarHBondContact O-N 3.17Å; P84-M87 HydrophobicContact CB-CG 4.22Å; P84-M87 HydrophobicContact CG-CG 4.36Å; P84-M87 WeakPolarHBondContact O-CB 3.3Å; P84-M87 PolarHBondContact O-N 2.82Å
85S92.8Very high97.1Very high129 Ų12965.8 Ų65.890%0.90237%0.372SS*.THydrogen-bonded Turntrans-61.5-16.1-175.756.20000114.9A83 M87A83-S85 PolarHBondContact O-N 2.8Å; S85-M87 VanDerWaalsContact C-N 3.31Å
86T93.1Very high96.9Very high127 Ų12770.1 Ų70.178%0.77939%0.393SS*.THydrogen-bonded Turntrans-79-12.6174.554.90000113.4P84P84-T86 PolarHBondContact O-N 3.17Å
87M94.8Very high96.9Very high46 Ų4668.8 Ų68.823%0.22739%0.385CS..SBendtrans-84.1131.1-178.9-64.3-64.8179.100111K53 Y56 A83 P84 S85 I89K53-M87 HydrophobicContact CB-SD 4.21Å; Y56-M87 HydrophobicContact CD2-CB 4.02Å; Y56-M87 HydrophobicContact CD2-CG 3.75Å; Y56-M87 HydrophobicContact CD2-SD 3.87Å; Y56-M87 HydrophobicContact CE2-CB 4.47Å; Y56-M87 HydrophobicContact CE2-CG 3.93Å; Y56-M87 HydrophobicContact CE2-SD 4.34Å; Y56-M87 HydrophobicContact CG-CB 4.45Å; A83-M87 HydrophobicContact CB-CB 4.44Å; P84-M87 HydrophobicContact CB-CG 4.22Å; P84-M87 HydrophobicContact CG-CG 4.36Å; P84-M87 WeakPolarHBondContact O-CB 3.3Å; P84-M87 PolarHBondContact O-N 2.82Å; S85-M87 VanDerWaalsContact C-N 3.31Å; M87-I89 HydrophobicContact CB-CD1 3.8Å; M87-I89 PolarHBondContact O-N 3.34Å
88K96.1Very high96.9Very high161 Ų16166.4 Ų66.470%0.738%0.375SS*.  trans-83.8110.3169.1-176.2178.5-179.6178.10109Y56Y56-K88 CarbonylContact C-O 3.56Å
89I98.1Very high96.9Very high18 Ų1870.4 Ų70.49%0.09239%0.389CS..  trans-90.9130.3178.8-48.9-48.5000109.4Y56 Q76 I79 A83 M87 I91Y56-I89 HydrophobicContact CD1-CD1 3.52Å; Y56-I89 HydrophobicContact CD2-CD1 4.39Å; Y56-I89 HydrophobicContact CE1-CD1 4.18Å; Y56-I89 HydrophobicContact CG-CD1 3.63Å; Q76-I89 VanDerWaalsContact NE2-CB 3.31Å; Q76-I89 VanDerWaalsContact NE2-CG2 3.31Å; Q76-I89 PolarHBondContact NE2-O 2.98Å; Q76-I89 PolarHBondContact OE1-O 3.34Å; I79-I89 HydrophobicContact CB-CG2 3.92Å; I79-I89 HydrophobicContact CG2-CD1 4.08Å; I79-I89 HydrophobicContact CG2-CG1 4.23Å; I79-I89 HydrophobicContact CG2-CG2 3.55Å; A83-I89 HydrophobicContact CB-CD1 3.65Å; A83-I89 HydrophobicContact CB-CG1 4.32Å; M87-I89 HydrophobicContact CB-CD1 3.8Å; M87-I89 PolarHBondContact O-N 3.34Å; I89-I91 HydrophobicContact CG2-CD1 4.36Å
90K98.4Very high96.9Very high106 Ų10672 Ų7246%0.46140%0.4SS..  trans-139117.3174.8-178.4-171.1-179.4-167.20110.3Y56 A57 T59 I92Y56-K90 PolarHBondContact O-N 3.38Å; A57-K90 WeakPolarHBondContact O-CB 3.36Å; A57-K90 WeakPolarHBondContact O-CD 3.36Å; T59-K90 PolarHBondContact N-O 3.34Å; K90-I92 HydrophobicContact CD-CD1 4.32Å; K90-I92 HydrophobicContact CD-CG1 4.17Å; K90-I92 HydrophobicContact CG-CG1 4.14Å
91I98.6Very high96.9Very high23 Ų2373.9 Ų73.912%0.11841%0.411CS..EExtended strand (participates in β ladder)trans-94.2124.8171.5-51-53000109.6T59 L61 A72 M75 Q76 I89T59-I91 HydrophobicContact CG2-CD1 3.76Å; T59-I91 WeakPolarHBondContact O-CA 3.33Å; L61-I91 HydrophobicContact CD1-CG2 3.83Å; L61-I91 HydrophobicContact CD2-CG2 4.28Å; L61-I91 HydrophobicContact CG-CG2 3.82Å; A72-I91 HydrophobicContact CB-CG2 4.1Å; M75-I91 HydrophobicContact CB-CD1 4.31Å; M75-I91 HydrophobicContact CB-CG1 4.1Å; M75-I91 HydrophobicContact CB-CG2 4.36Å; Q76-I91 HydrophobicContact CB-CG1 3.83Å; Q76-I91 VanDerWaalsContact OE1-N 3.16Å; I89-I91 HydrophobicContact CG2-CD1 4.36Å
92I98.6Very high96.9Very high47 Ų4778.7 Ų78.724%0.24141%0.412CS..EExtended strand (participates in β ladder)trans-109.5117.1-178.6-56.8169.3000107.9T59 V60 L61 K90 P94T59-I92 PolarHBondContact O-N 3.24Å; V60-I92 CarbonylContact C-O 3.59Å; V60-I92 WeakPolarHBondContact CA-O 3.46Å; V60-I92 HydrophobicContact CG2-CB 4.22Å; V60-I92 HydrophobicContact CG2-CD1 4.15Å; L61-I92 PolarHBondContact N-O 2.98Å; K90-I92 HydrophobicContact CD-CD1 4.32Å; K90-I92 HydrophobicContact CD-CG1 4.17Å; K90-I92 HydrophobicContact CG-CG1 4.14Å; I92-P94 HydrophobicContact CG2-CG 4.49Å
93A98.3Very high96.9Very high35 Ų3578.3 Ų78.329%0.28941%0.41SS..  trans-126.687-178.900000110.6L61 A72L61-A93 HydrophobicContact CB-CB 4.34Å; L61-A93 HydrophobicContact CD1-CB 4.11Å; L61-A93 HydrophobicContact CG-CB 4.48Å; A72-A93 HydrophobicContact CB-CB 3.93Å
94P97.8Very high97Very high29 Ų2979.5 Ų79.519%0.18842%0.423CS..  trans-57.3146.7177.2-23.134000111.7I92 E96 R97I92-P94 HydrophobicContact CG2-CG 4.49Å; P94-E96 VanDerWaalsContact C-N 3.32Å; P94-E96 PolarHBondContact O-N 2.84Å; P94-R97 HydrophobicContact CB-CB 4.26Å; P94-R97 WeakPolarHBondContact O-CB 3.38Å; P94-R97 VanDerWaalsContact O-CD 3.28Å; P94-R97 WeakPolarHBondContact O-CD 3.28Å; P94-R97 WeakPolarHBondContact O-CG 3.2Å; P94-R97 PolarHBondContact O-N 3.44Å; P94-R97 PolarHBondContact O-NH1 3.18Å
95P97.2Very high97.2Very high99 Ų9978.4 Ų78.464%0.64342%0.423SS*.THydrogen-bonded Turntrans-65.7-36.1-179.315.9-17.8000112.4R97P95-R97 PolarHBondContact O-N 3.07Å
96E96.3Very high97.4Very high95 Ų9574.8 Ų74.844%0.44440%0.398SS..THydrogen-bonded Turntrans-83.113.1176.163.5-74162.400114.2P94 K98 Y99 I103P94-E96 VanDerWaalsContact C-N 3.32Å; P94-E96 PolarHBondContact O-N 2.84Å; E96-K98 PolarHBondContact O-N 3.27Å; E96-Y99 PolarHBondContact O-N 3.38Å; E96-I103 HydrophobicContact CB-CD1 4.36Å; E96-I103 HydrophobicContact CG-CD1 3.86Å
97R98.1Very high97.6Very high29 Ų2973.6 Ų73.611%0.10939%0.385CS..G310 helixtrans-58.4-17.9-17168-172.7172.6-79.83.2116.6L61 G63 T66 M67 P94 P95 Y99 S100L61-R97 WeakPolarHBondContact O-CB 3.37Å; G63-R97 PolarHBondContact N-O 3.13Å; T66-R97 VanDerWaalsContact O-CZ 3.32Å; T66-R97 PolarHBondContact O-NE 3.09Å; T66-R97 PolarHBondContact O-NH2 2.75Å; T66-R97 WeakPolarHBondContact OG1-CD 3.04Å; T66-R97 PolarHBondContact OG1-NE 3.24Å; M67-R97 HydrophobicContact SD-CG 3.45Å; M67-R97 WeakPolarHBondContact SD-CG 3.46Å; M67-R97 VanDerWaalsContact SD-CZ 3.52Å; P94-R97 HydrophobicContact CB-CB 4.26Å; P94-R97 WeakPolarHBondContact O-CB 3.38Å; P94-R97 VanDerWaalsContact O-CD 3.28Å; P94-R97 WeakPolarHBondContact O-CD 3.28Å; P94-R97 WeakPolarHBondContact O-CG 3.2Å; P94-R97 PolarHBondContact O-N 3.44Å; P94-R97 PolarHBondContact O-NH1 3.18Å; P95-R97 PolarHBondContact O-N 3.07Å; R97-Y99 PolarHBondContact O-N 3.21Å; R97-S100 WeakPolarHBondContact CA-OG 3.21Å; R97-S100 PolarHBondContact O-N 2.86Å
98K97.9Very high97.7Very high106 Ų10675.2 Ų75.246%0.46140%0.395SS..G310 helixtrans-60.3-23.1168.662.7172.6171.1157.10113.3M67 E96M67-K98 HydrophobicContact CG-CB 4.21Å; M67-K98 HydrophobicContact SD-CB 4.29Å; E96-K98 PolarHBondContact O-N 3.27Å
99Y97.8Very high97.8Very high125 Ų12570 Ų7049%0.4938%0.381SS..G310 helixtrans-116.84.1-179.6-54.6-49.2000113.4E96 R97 V101 W102 I103E96-Y99 PolarHBondContact O-N 3.38Å; R97-Y99 PolarHBondContact O-N 3.21Å; Y99-V101 PolarHBondContact O-N 2.71Å; Y99-V101 VanDerWaalsContact O-N 3.13Å; Y99-W102 PolarHBondContact O-N 3.44Å; Y99-I103 WeakPolarHBondContact O-CG1 3.45Å; Y99-I103 PolarHBondContact O-N 2.91Å
100S98Very high97.7Very high35 Ų3573.7 Ų73.725%0.24541%0.409CS..Hα-helixtrans-53.3-38.9-176.2-78.10000113.3R97 G104R97-S100 WeakPolarHBondContact CA-OG 3.21Å; R97-S100 PolarHBondContact O-N 2.86Å; S100-G104 PolarHBondContact O-N 3.46Å
101V98Very high97.6Very high116 Ų11672.4 Ų72.470%0.70341%0.406SS*.Hα-helixtrans-62.4-47.3176.9-178.80000111.2Y99 G104 G105Y99-V101 PolarHBondContact O-N 2.71Å; Y99-V101 VanDerWaalsContact O-N 3.13Å; V101-G104 PolarHBondContact O-N 2.81Å; V101-G105 PolarHBondContact O-N 2.87Å
102W98.3Very high97.4Very high184 Ų18475.7 Ų75.770%0.69743%0.431SS*.Hα-helixtrans-67.4-42.6-179.7-176.386.2000112Y99 G104 G105 S106Y99-W102 PolarHBondContact O-N 3.44Å; W102-G104 VanDerWaalsContact C-N 3.34Å; W102-G104 PolarHBondContact O-N 3.28Å; W102-G105 PolarHBondContact O-N 3.39Å; W102-S106 PolarHBondContact O-N 3.35Å
103I98.1Very high97.2Very high61 Ų6177.9 Ų77.931%0.31345%0.447SS..Hα-helixtrans-60.4-45.5176.4-66.2168.1000110.2E96 Y99 G105 S106 I107E96-I103 HydrophobicContact CB-CD1 4.36Å; E96-I103 HydrophobicContact CG-CD1 3.86Å; Y99-I103 WeakPolarHBondContact O-CG1 3.45Å; Y99-I103 PolarHBondContact O-N 2.91Å; I103-G105 VanDerWaalsContact C-N 3.34Å; I103-G105 PolarHBondContact O-N 2.77Å; I103-S106 PolarHBondContact O-N 3.36Å; I103-I107 HydrophobicContact CG2-CD1 3.82Å; I103-I107 HydrophobicContact CG2-CG1 4.45Å; I103-I107 WeakPolarHBondContact O-CG1 3.39Å; I103-I107 PolarHBondContact O-N 3.21Å
104G97.2Very high97Very high36 Ų3678.9 Ų78.937%0.37145%0.445SS..Hα-helixtrans-58.4-44.4175.900000112.5S100 V101 W102 I107 L108S100-G104 PolarHBondContact O-N 3.46Å; V101-G104 PolarHBondContact O-N 2.81Å; W102-G104 VanDerWaalsContact C-N 3.34Å; W102-G104 PolarHBondContact O-N 3.28Å; G104-I107 PolarHBondContact O-N 3.38Å; G104-L108 VanDerWaalsContact O-CB 3.31Å; G104-L108 WeakPolarHBondContact O-CB 3.34Å; G104-L108 PolarHBondContact O-N 3.24Å
105G97.7Very high96.7Very high39 Ų3983.3 Ų83.340%0.40246%0.463SS..Hα-helixtrans-62.3-43.1174.700000113.2V101 W102 I103 I107 L108 A109V101-G105 PolarHBondContact O-N 2.87Å; W102-G105 PolarHBondContact O-N 3.39Å; I103-G105 VanDerWaalsContact C-N 3.34Å; I103-G105 PolarHBondContact O-N 2.77Å; G105-I107 PolarHBondContact O-N 3.07Å; G105-L108 PolarHBondContact O-N 2.94Å; G105-A109 VanDerWaalsContact O-CB 3.23Å; G105-A109 WeakPolarHBondContact O-CB 3.41Å; G105-A109 PolarHBondContact O-N 2.73Å
106S98.1Very high96.4Very high54 Ų5486.9 Ų86.938%0.37847%0.472SS..Hα-helixtrans-63.1-41177.1-175.90000112.4W102 I103 S110W102-S106 PolarHBondContact O-N 3.35Å; I103-S106 PolarHBondContact O-N 3.36Å; S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 PolarHBondContact O-OG 2.91Å
107I97.3Very high96.2Very high102 Ų10289 Ų8952%0.52348%0.483SS..Hα-helixtrans-65.6-52.2176.1-67.8167.6000109.5I103 G104 G105 A109 S110 L111I103-I107 HydrophobicContact CG2-CD1 3.82Å; I103-I107 HydrophobicContact CG2-CG1 4.45Å; I103-I107 WeakPolarHBondContact O-CG1 3.39Å; I103-I107 PolarHBondContact O-N 3.21Å; G104-I107 PolarHBondContact O-N 3.38Å; G105-I107 PolarHBondContact O-N 3.07Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 3.42Å; I107-S110 WeakPolarHBondContact O-CB 3.26Å; I107-S110 PolarHBondContact O-N 3.47Å; I107-L111 PolarHBondContact O-N 2.82Å
108L96.9Very high96.1Very high80 Ų8094 Ų9442%0.41950%0.502SS..Hα-helixtrans-57.5-45.9-178.6-176.464.5000111.7G104 G105 S110 L111 F114G104-L108 VanDerWaalsContact O-CB 3.31Å; G104-L108 WeakPolarHBondContact O-CB 3.34Å; G104-L108 PolarHBondContact O-N 3.24Å; G105-L108 PolarHBondContact O-N 2.94Å; L108-S110 PolarHBondContact O-N 3.24Å; L108-L111 HydrophobicContact CD1-CD1 4.21Å; L108-L111 WeakPolarHBondContact O-CB 3.44Å; L108-L111 PolarHBondContact O-N 2.97Å; L108-L111 VanDerWaalsContact O-N 3.13Å; L108-F114 HydrophobicContact CD1-CB 4.46Å; L108-F114 HydrophobicContact CD1-CD2 3.63Å; L108-F114 HydrophobicContact CD1-CE2 4.05Å; L108-F114 HydrophobicContact CD1-CG 4.07Å; L108-F114 HydrophobicContact CD2-CD2 4.08Å; L108-F114 HydrophobicContact CD2-CE2 3.62Å; L108-F114 HydrophobicContact CD2-CZ 3.87Å; L108-F114 HydrophobicContact CG-CD1 4.18Å; L108-F114 HydrophobicContact CG-CD2 3.62Å; L108-F114 HydrophobicContact CG-CE1 4.23Å; L108-F114 HydrophobicContact CG-CE2 3.68Å; L108-F114 HydrophobicContact CG-CG 3.89Å; L108-F114 HydrophobicContact CG-CZ 3.99Å; L108-F114 WeakPolarHBondContact O-CB 3.47Å; L108-F114 WeakPolarHBondContact O-CD1 3.48Å; L108-F114 WeakPolarHBondContact O-CG 3.33Å
109A97Very high96Very high51 Ų5192.6 Ų92.642%0.42150%0.499SS..Hα-helixtrans-63.7-22.9178.500000113.8G105 I107G105-A109 VanDerWaalsContact O-CB 3.23Å; G105-A109 WeakPolarHBondContact O-CB 3.41Å; G105-A109 PolarHBondContact O-N 2.73Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 3.42Å
110S96.4Very high95.9Very high95 Ų9589.2 Ų89.266%0.66449%0.493SS*.THydrogen-bonded Turntrans-88.6-7.8179.2-56.50000113.2S106 I107 L108S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 PolarHBondContact O-OG 2.91Å; I107-S110 WeakPolarHBondContact O-CB 3.26Å; I107-S110 PolarHBondContact O-N 3.47Å; L108-S110 PolarHBondContact O-N 3.24Å
111L96.1Very high95.8Very high79 Ų7995.3 Ų95.341%0.41452%0.516SS..  trans-76.8129.7177.2-59.6-178.8000110.4I107 L108 T113 F114I107-L111 PolarHBondContact O-N 2.82Å; L108-L111 HydrophobicContact CD1-CD1 4.21Å; L108-L111 WeakPolarHBondContact O-CB 3.44Å; L108-L111 PolarHBondContact O-N 2.97Å; L108-L111 VanDerWaalsContact O-N 3.13Å; L111-T113 PolarHBondContact O-N 3.18Å; L111-F114 HydrophobicContact CB-CB 4.11Å; L111-F114 WeakPolarHBondContact O-CB 3.38Å; L111-F114 PolarHBondContact O-N 3.14Å
112S94.8Very high95.8Very high92 Ų9296 Ų9664%0.64351%0.511SS*.G310 helixtrans-59.6-34.8175.753.50000112.5F114 Q115S112-F114 PolarHBondContact O-N 3.31Å; S112-Q115 WeakPolarHBondContact O-CB 3.17Å; S112-Q115 PolarHBondContact O-N 3.15Å
113T94.3Very high95.7Very high94 Ų9491.1 Ų91.158%0.57750%0.496SS*.G310 helixtrans-64.4-26.5175510000112.9L111 Q115L111-T113 PolarHBondContact O-N 3.18Å; T113-Q115 VanDerWaalsContact C-N 3.3Å; T113-Q115 PolarHBondContact O-N 3.49Å
114F94.4Very high95.7Very high56 Ų5693.2 Ų93.225%0.24650%0.501CS..G310 helixtrans-76.6-18.4-179.7-169.4-112.8000112.8L108 L111 S112 Q116 M117 W118L108-F114 HydrophobicContact CD1-CB 4.46Å; L108-F114 HydrophobicContact CD1-CD2 3.63Å; L108-F114 HydrophobicContact CD1-CE2 4.05Å; L108-F114 HydrophobicContact CD1-CG 4.07Å; L108-F114 HydrophobicContact CD2-CD2 4.08Å; L108-F114 HydrophobicContact CD2-CE2 3.62Å; L108-F114 HydrophobicContact CD2-CZ 3.87Å; L108-F114 HydrophobicContact CG-CD1 4.18Å; L108-F114 HydrophobicContact CG-CD2 3.62Å; L108-F114 HydrophobicContact CG-CE1 4.23Å; L108-F114 HydrophobicContact CG-CE2 3.68Å; L108-F114 HydrophobicContact CG-CG 3.89Å; L108-F114 HydrophobicContact CG-CZ 3.99Å; L108-F114 WeakPolarHBondContact O-CB 3.47Å; L108-F114 WeakPolarHBondContact O-CD1 3.48Å; L108-F114 WeakPolarHBondContact O-CG 3.33Å; L111-F114 HydrophobicContact CB-CB 4.11Å; L111-F114 WeakPolarHBondContact O-CB 3.38Å; L111-F114 PolarHBondContact O-N 3.14Å; S112-F114 PolarHBondContact O-N 3.31Å; F114-Q116 PolarHBondContact O-N 3.27Å; F114-M117 HydrophobicContact CD2-CB 3.9Å; F114-M117 HydrophobicContact CD2-CG 4.07Å; F114-M117 HydrophobicContact CE2-CB 3.93Å; F114-M117 HydrophobicContact CE2-CG 4.41Å; F114-M117 WeakPolarHBondContact O-CB 3.37Å; F114-M117 PolarHBondContact O-N 3.1Å; F114-W118 AromaticContact CD1-CD1 3.78Å; F114-W118 AromaticContact CD1-NE1 3.18Å; F114-W118 AromaticContact CE1-CD1 3.76Å; F114-W118 AromaticContact CE1-NE1 3.42Å; F114-W118 PolarHBondContact O-NE1 3.39Å
115Q90.9Very high95.7Very high121 Ų12196.5 Ų96.557%0.56551%0.51SS*.G310 helixtrans-59.3-31.4174.8-66.7-178.4-10.200112.4S112 T113 M117 W118S112-Q115 WeakPolarHBondContact O-CB 3.17Å; S112-Q115 PolarHBondContact O-N 3.15Å; T113-Q115 VanDerWaalsContact C-N 3.3Å; T113-Q115 PolarHBondContact O-N 3.49Å; Q115-M117 PolarHBondContact O-N 2.94Å; Q115-W118 HydrophobicContact CG-CH2 4.14Å; Q115-W118 HydrophobicContact CG-CZ2 4.12Å; Q115-W118 HydrophobicContact CG-CZ3 4.43Å; Q115-W118 PolarHBondContact O-N 3.11Å
116Q90.9Very high95.7Very high175 Ų175101.1 Ų101.182%0.81852%0.521SS*.G310 helixtrans-71.5-14.5177.1-62.8177.7-400113.2F114F114-Q116 PolarHBondContact O-N 3.27Å
117M93.3Very high95.6Very high140 Ų140101.5 Ų101.569%0.6952%0.524SS*.G310 helixtrans-96.1-4.9178.9-58.8-66.7-65.100112.1F114 Q115F114-M117 HydrophobicContact CD2-CB 3.9Å; F114-M117 HydrophobicContact CD2-CG 4.07Å; F114-M117 HydrophobicContact CE2-CB 3.93Å; F114-M117 HydrophobicContact CE2-CG 4.41Å; F114-M117 WeakPolarHBondContact O-CB 3.37Å; F114-M117 PolarHBondContact O-N 3.1Å; Q115-M117 PolarHBondContact O-N 2.94Å
118W94.4Very high95.5Very high132 Ų13297.7 Ų97.750%0.551%0.509SS..  trans-72.6140.5179.2-66.30.2000110.1F114 Q115F114-W118 AromaticContact CD1-CD1 3.78Å; F114-W118 AromaticContact CD1-NE1 3.18Å; F114-W118 AromaticContact CE1-CD1 3.76Å; F114-W118 AromaticContact CE1-NE1 3.42Å; F114-W118 PolarHBondContact O-NE1 3.39Å; Q115-W118 HydrophobicContact CG-CH2 4.14Å; Q115-W118 HydrophobicContact CG-CZ2 4.12Å; Q115-W118 HydrophobicContact CG-CZ3 4.43Å; Q115-W118 PolarHBondContact O-N 3.11Å
119I96.3Very high95.5Very high77 Ų7798 Ų9840%0.39552%0.516SS..  trans-89.4111.1168.9-64164000106.6I131 V132I119-I131 HydrophobicContact CD1-CG2 4.28Å; I119-I131 HydrophobicContact CG2-CD1 4.22Å; I119-I131 HydrophobicContact CG2-CG1 4.48Å; I119-I131 HydrophobicContact CG2-CG2 3.73Å; I119-V132 HydrophobicContact CD1-CB 4.25Å; I119-V132 HydrophobicContact CD1-CG2 3.8Å
120S96Very high95.4Very high54 Ų5499.2 Ų99.238%0.37852%0.521SS..  trans-71.2160.1174.270.80000110.9Q122 E123 Y124S120-Q122 PolarHBondContact O-N 3.26Å; S120-E123 VanDerWaalsContact CB-OE2 3.27Å; S120-E123 WeakPolarHBondContact CB-OE2 3.33Å; S120-E123 PolarHBondContact N-OE2 3.11Å; S120-E123 PolarHBondContact O-N 3.31Å; S120-E123 VanDerWaalsContact OG-CG 3.25Å; S120-E123 WeakPolarHBondContact OG-CG 3.21Å; S120-E123 PolarHBondContact OG-N 2.98Å; S120-E123 PolarHBondContact OG-OE2 3.39Å; S120-Y124 PolarHBondContact O-N 2.91Å; S120-Y124 VanDerWaalsContact O-N 3.11Å
121K96.6Very high95.4Very high164 Ų16495.5 Ų95.571%0.71349%0.494SS*.Hα-helixtrans-56.8-41.3173-172-165.5170.7-152.40111.5Y124 D125K121-Y124 PolarHBondContact O-N 3.29Å; K121-D125 WeakPolarHBondContact CE-OD2 3.11Å; K121-D125 IonicContact NZ-OD2 3.89Å; K121-D125 WeakPolarHBondContact O-CB 3.25Å; K121-D125 VanDerWaalsContact O-CG 3.24Å; K121-D125 PolarHBondContact O-N 2.85Å
122Q97.4Very high95.3Very high129 Ų12996 Ų9660%0.60350%0.5SS*.Hα-helixtrans-61.4-48-179.9179.3179.1-4.200111.3S120 Y124 D125 E126S120-Q122 PolarHBondContact O-N 3.26Å; Q122-Y124 VanDerWaalsContact C-N 3.26Å; Q122-Y124 PolarHBondContact O-N 2.97Å; Q122-D125 PolarHBondContact O-N 3.41Å; Q122-D125 VanDerWaalsContact O-N 3.15Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.49Å; Q122-E126 PolarHBondContact NE2-OE1 2.97Å; Q122-E126 WeakPolarHBondContact O-CG 3.38Å; Q122-E126 PolarHBondContact O-N 3.43Å
123E96.3Very high95.2Very high83 Ų8399.7 Ų99.739%0.38851%0.507SS..Hα-helixtrans-63.4-35.4179.8-67.4164.8116.800111.9S120 E126 S127 I131S120-E123 VanDerWaalsContact CB-OE2 3.27Å; S120-E123 WeakPolarHBondContact CB-OE2 3.33Å; S120-E123 PolarHBondContact N-OE2 3.11Å; S120-E123 PolarHBondContact O-N 3.31Å; S120-E123 VanDerWaalsContact OG-CG 3.25Å; S120-E123 WeakPolarHBondContact OG-CG 3.21Å; S120-E123 PolarHBondContact OG-N 2.98Å; S120-E123 PolarHBondContact OG-OE2 3.39Å; E123-E126 PolarHBondContact O-N 3.39Å; E123-S127 WeakPolarHBondContact O-CB 3.28Å; E123-S127 PolarHBondContact O-N 3.24Å; E123-I131 HydrophobicContact CB-CD1 3.46Å; E123-I131 VanDerWaalsContact CB-CD1 3.46Å; E123-I131 HydrophobicContact CG-CD1 4.45Å
124Y97.4Very high94.4Very high104 Ų104108.4 Ų108.441%0.40853%0.529SS..Hα-helixtrans-66.7-42.5172.6-172.9-88.3000112.6S120 K121 Q122 E126 G128 P129 I131S120-Y124 PolarHBondContact O-N 2.91Å; S120-Y124 VanDerWaalsContact O-N 3.11Å; K121-Y124 PolarHBondContact O-N 3.29Å; Q122-Y124 VanDerWaalsContact C-N 3.26Å; Q122-Y124 PolarHBondContact O-N 2.97Å; Y124-E126 VanDerWaalsContact C-N 3.25Å; Y124-E126 PolarHBondContact O-N 2.97Å; Y124-G128 WeakPolarHBondContact O-CA 3.42Å; Y124-G128 PolarHBondContact O-N 3.02Å; Y124-P129 HydrophobicContact CE2-CB 4.33Å; Y124-I131 HydrophobicContact CD2-CG2 4.03Å
125D97.7Very high94.4Very high106 Ų106111 Ų11157%0.56754%0.543SS*.Hα-helixtrans-64.4-31.9177.5-69.7-19.8000111.3K121 Q122K121-D125 WeakPolarHBondContact CE-OD2 3.11Å; K121-D125 IonicContact NZ-OD2 3.89Å; K121-D125 WeakPolarHBondContact O-CB 3.25Å; K121-D125 VanDerWaalsContact O-CG 3.24Å; K121-D125 PolarHBondContact O-N 2.85Å; Q122-D125 PolarHBondContact O-N 3.41Å; Q122-D125 VanDerWaalsContact O-N 3.15Å
126E97Very high94.6Very high136 Ų136110.5 Ų110.564%0.63654%0.542SS*.Hα-helixtrans-82.2-44.8179.4-71.7174.9-168.400113.8Q122 E123 Y124Q122-E126 WeakPolarHBondContact CG-OE1 3.49Å; Q122-E126 PolarHBondContact NE2-OE1 2.97Å; Q122-E126 WeakPolarHBondContact O-CG 3.38Å; Q122-E126 PolarHBondContact O-N 3.43Å; E123-E126 PolarHBondContact O-N 3.39Å; Y124-E126 VanDerWaalsContact C-N 3.25Å; Y124-E126 PolarHBondContact O-N 2.97Å
127S96Very high94.8Very high62 Ų62106.9 Ų106.943%0.43453%0.527SS..Hα-helixtrans-99.6-11.1-173.4-61.80000113.4E123 S130E123-S127 WeakPolarHBondContact O-CB 3.28Å; E123-S127 PolarHBondContact O-N 3.24Å; S127-S130 PolarHBondContact O-OG 3.23Å
128G96Very high94.8Very high21 Ų21104.9 Ų104.922%0.21652%0.517CS..  trans68.4-168.3-174.100000113.3Y124 S130 I131Y124-G128 WeakPolarHBondContact O-CA 3.42Å; Y124-G128 PolarHBondContact O-N 3.02Å; G128-S130 PolarHBondContact O-N 3.1Å; G128-S130 VanDerWaalsContact O-N 3.09Å; G128-I131 VanDerWaalsContact O-CG2 3.22Å; G128-I131 WeakPolarHBondContact O-CG2 3.4Å; G128-I131 PolarHBondContact O-N 3.36Å
129P96.3Very high94.9Very high86 Ų86103.3 Ų103.356%0.55852%0.518SS*.G310 helixtrans-60-23.3-175.9-22.430.8000115.3Y124 I131 V132Y124-P129 HydrophobicContact CE2-CB 4.33Å; P129-I131 PolarHBondContact O-N 3.46Å; P129-V132 PolarHBondContact O-N 3.47Å
130S96.1Very high94.8Very high77 Ų77105 Ų10554%0.53853%0.527SS..G310 helixtrans-64.5-20.1-177.655.60000113.2S127 G128 V132 H133S127-S130 PolarHBondContact O-OG 3.23Å; G128-S130 PolarHBondContact O-N 3.1Å; G128-S130 VanDerWaalsContact O-N 3.09Å; S130-V132 PolarHBondContact O-N 3Å; S130-H133 WeakPolarHBondContact O-CB 3.22Å; S130-H133 PolarHBondContact O-N 2.86Å
131I95.6Very high94.7Very high18 Ų18108.6 Ų108.69%0.09254%0.537CS..G310 helixtrans-60-27.3178.5-165166.9000113.4I119 E123 Y124 G128 P129 H133 R134I119-I131 HydrophobicContact CD1-CG2 4.28Å; I119-I131 HydrophobicContact CG2-CD1 4.22Å; I119-I131 HydrophobicContact CG2-CG1 4.48Å; I119-I131 HydrophobicContact CG2-CG2 3.73Å; E123-I131 HydrophobicContact CB-CD1 3.46Å; E123-I131 VanDerWaalsContact CB-CD1 3.46Å; E123-I131 HydrophobicContact CG-CD1 4.45Å; Y124-I131 HydrophobicContact CD2-CG2 4.03Å; G128-I131 VanDerWaalsContact O-CG2 3.22Å; G128-I131 WeakPolarHBondContact O-CG2 3.4Å; G128-I131 PolarHBondContact O-N 3.36Å; P129-I131 PolarHBondContact O-N 3.46Å; I131-H133 PolarHBondContact O-N 2.9Å; I131-R134 WeakPolarHBondContact O-CB 3.33Å; I131-R134 PolarHBondContact O-N 3.42Å
132V93.8Very high94.5Very high89 Ų89104.4 Ų104.454%0.53952%0.524SS..G310 helixtrans-68.5-18.3177.6178.60000112.4I119 P129 S130I119-V132 HydrophobicContact CD1-CB 4.25Å; I119-V132 HydrophobicContact CD1-CG2 3.8Å; P129-V132 PolarHBondContact O-N 3.47Å; S130-V132 PolarHBondContact O-N 3Å
133H91.8Very high94.3Very high169 Ų169102.3 Ų102.378%0.78252%0.517SS*.G310 helixtrans-93.62.1179.1-59.1-52.3000113.6S130 I131S130-H133 WeakPolarHBondContact O-CB 3.22Å; S130-H133 PolarHBondContact O-N 2.86Å; I131-H133 PolarHBondContact O-N 2.9Å
134R77.7Confident94.1Very high277 Ų277104.1 Ų104.1100%1.04553%0.529SS*.  trans-82.80177.9-162.6178.5-173.7179.91.4111.1I131I131-R134 WeakPolarHBondContact O-CB 3.33Å; I131-R134 PolarHBondContact O-N 3.42Å

Retrieved 134 of 134 residues in 458.4 ms (Link to these results)

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