A0A096NMC9_PAPAN Loading...

Ras-like protein family member 12

AlphaFold DB , UniProt , Accession A0A096NMC9, Species PAPAN (Papio anubis, Olive baboon), Gene RASL12, Length 266 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.4Very low41.2Very low253 Ų253146 Ų146100%1.24684%0.844SS**  0114.90-78.1175.2151.800108.2
2S39.7Very low41.6Very low120 Ų120143.8 Ų143.884%0.83984%0.843SS**  trans-66.6142.6-17942.60000113.2
3S34.8Very low42.1Very low86 Ų86136.8 Ų136.860%0.60182%0.82SS**  trans-163.496.1140-170.30000110.7F5S3-F5 WeakPolarHBondContact OG-CD2 3.22Å; S3-F5 WeakPolarHBondContact OG-CE2 3.13Å
4V41.6Very low42.5Very low147 Ų147135.4 Ų135.489%0.89182%0.816SS**  trans-95.3101.6165.1177.50000106.1G6V4-G6 PolarHBondContact O-N 3.38Å
5F45.4Very low42.9Very low192 Ų192134.7 Ų134.784%0.84282%0.816SS**  trans-88.192.9168-89.9-81.2000109.1S3 K7S3-F5 WeakPolarHBondContact OG-CD2 3.22Å; S3-F5 WeakPolarHBondContact OG-CE2 3.13Å; F5-K7 PolarHBondContact O-N 3.5Å
6G39.1Very low44.3Very low64 Ų64133 Ų13366%0.6681%0.812SS**PPolyproline II helixtrans-71.6119.9164.100000109.9V4V4-G6 PolarHBondContact O-N 3.38Å
7K43.3Very low46.1Very low200 Ų200132.4 Ų132.487%0.8781%0.808SS**PPolyproline II helixtrans-62.1136164-94.1175.5173.7174.10109F5 R9F5-K7 PolarHBondContact O-N 3.5Å; K7-R9 PolarHBondContact O-N 3.22Å
8P39Very low48.1Very low124 Ų124128.9 Ų128.981%0.80579%0.788SS**PPolyproline II helixtrans-64.5122.3172.125.1-30000109.1A10P8-A10 PolarHBondContact O-N 3.06Å; P8-A10 VanDerWaalsContact O-N 3.16Å
9R41.7Very low50.3Low245 Ų245124.9 Ų124.993%0.92576%0.762SS**  trans-62.2112.1164-93.9176.8162.1171.6-5.8106.9K7 G11K7-R9 PolarHBondContact O-N 3.22Å; R9-G11 PolarHBondContact O-N 3.16Å
10A47.4Very low52.6Low97 Ų97123 Ų12380%0.80274%0.744SS**  trans-57.3112.616200000107.1P8 S12P8-A10 PolarHBondContact O-N 3.06Å; P8-A10 VanDerWaalsContact O-N 3.16Å; A10-S12 PolarHBondContact O-N 2.93Å
11G39.5Very low54.8Low78 Ų78117.2 Ų117.280%0.80471%0.709SS**  trans-62.4107.7172.100000108.1R9 G13R9-G11 PolarHBondContact O-N 3.16Å; G11-G13 PolarHBondContact O-N 3.03Å
12S46.5Very low57.5Low119 Ų119105.7 Ų105.783%0.83265%0.653SS**  trans-69.68816555.80000107.3A10A10-S12 PolarHBondContact O-N 2.93Å
13G47.6Very low60.3Low53 Ų53100 Ų10055%0.54661%0.613SS.*  trans-54.4151.715900000109.1G11G11-G13 PolarHBondContact O-N 3.03Å
14P47.8Very low63.4Low118 Ų11895.9 Ų95.977%0.76658%0.584SS**  trans-53141176.523.4-32.4000109.2S16P14-S16 PolarHBondContact O-N 3.11Å
15P48.1Very low66.1Low125 Ų12588.9 Ų88.981%0.81254%0.541SS*.  trans-55.3115.2177.122.7-31.4000107.9T17P15-T17 PolarHBondContact O-N 3.06Å
16S65.3Low68.6Low107 Ų10779.8 Ų79.875%0.74850%0.501SS*.  trans-61.8111.9176.654.10000107.2P14P14-S16 PolarHBondContact O-N 3.11Å
17T75.4Confident71.4Confident123 Ų12376.7 Ų76.776%0.75547%0.47SS*.PPolyproline II helixtrans-53.6130173.748.60000108.4P15 L19P15-T17 PolarHBondContact O-N 3.06Å; T17-L19 PolarHBondContact O-N 3.38Å
18P81.5Confident73.9Confident69 Ų6969.4 Ų69.445%0.44844%0.437SS..PPolyproline II helixtrans-52.4138.7177.5-2432.4000110.3E20 P67P18-E20 PolarHBondContact O-N 3.03Å; P18-P67 HydrophobicContact CB-CB 4.31Å
19L91.1Very high76.5Confident54 Ų5468.5 Ų68.528%0.28342%0.417SS..EExtended strand (participates in β ladder)trans-63.3127.4179179.469.6000109.6T17 V21 V68 H69 R184 L187T17-L19 PolarHBondContact O-N 3.38Å; L19-V21 HydrophobicContact CD2-CG2 3.92Å; L19-V21 HydrophobicContact CG-CG2 4.05Å; L19-V68 WeakPolarHBondContact O-CA 3.47Å; L19-V68 WeakPolarHBondContact O-CG1 3.47Å; L19-H69 PolarHBondContact O-N 2.95Å; L19-R184 HydrophobicContact CD2-CG 3.58Å; L19-L187 HydrophobicContact CD1-CD2 3.72Å; L19-L187 HydrophobicContact CD2-CD2 4.46Å
20E96.1Very high79.1Confident85 Ų8559.4 Ų59.440%0.39740%0.4SS..EExtended strand (participates in β ladder)trans-80.8126.1171.2-175.9172.516200110.2P18 N22 H69 R71P18-E20 PolarHBondContact O-N 3.03Å; E20-N22 PolarHBondContact OE1-OD1 3.09Å; E20-H69 CarbonylContact C-O 3.6Å; E20-H69 VanDerWaalsContact CA-O 3.29Å; E20-H69 WeakPolarHBondContact CA-O 3.5Å; E20-R71 WeakPolarHBondContact OE1-CD 3.3Å; E20-R71 IonicContact OE1-NH1 2.68Å; E20-R71 PolarHBondContact OE1-NH1 2.74Å
21V98.1Very high81.4Confident3 Ų354.9 Ų54.92%0.01836%0.363CS..EExtended strand (participates in β ladder)trans-124.8126.1176.8178.80000109.6L19 L23 V68 H69 L70 R71 H92 V180 A183L19-V21 HydrophobicContact CD2-CG2 3.92Å; L19-V21 HydrophobicContact CG-CG2 4.05Å; V21-L23 HydrophobicContact CG1-CD2 4.01Å; V21-V68 HydrophobicContact CB-CG1 3.84Å; V21-V68 HydrophobicContact CG2-CG1 3.74Å; V21-H69 PolarHBondContact N-O 3.33Å; V21-L70 HydrophobicContact CB-CD1 3.98Å; V21-L70 HydrophobicContact CG1-CD1 4.02Å; V21-L70 WeakPolarHBondContact O-CA 3.34Å; V21-L70 WeakPolarHBondContact O-CD1 3.15Å; V21-R71 PolarHBondContact O-N 3.36Å; V21-H92 HydrophobicContact CG1-CB 4.38Å; V21-V180 HydrophobicContact CG1-CG2 4.16Å; V21-V180 HydrophobicContact CG2-CG1 4.37Å; V21-A183 HydrophobicContact CG1-CB 3.82Å
22N98.6Very high84.2Confident11 Ų1152 Ų526%0.05933%0.333CS..EExtended strand (participates in β ladder)trans-103.8119.6-179.3-65.7-19.1000109.5E20 R71 W90 H92 A93E20-N22 PolarHBondContact OE1-OD1 3.09Å; N22-R71 CarbonylContact C-O 3.56Å; N22-R71 WeakPolarHBondContact CA-O 3.31Å; N22-R71 WeakPolarHBondContact OD1-CB 3.35Å; N22-W90 HydrophobicContact CB-CD2 3.99Å; N22-W90 HydrophobicContact CB-CE3 4.04Å; N22-W90 HydrophobicContact CB-CH2 3.67Å; N22-W90 HydrophobicContact CB-CZ2 3.6Å; N22-W90 HydrophobicContact CB-CZ3 3.89Å; N22-W90 WeakPolarHBondContact CB-O 3.13Å; N22-W90 VanDerWaalsContact CG-CZ2 3.48Å; N22-W90 PolarHBondContact ND2-NE1 3.25Å; N22-W90 PolarHBondContact ND2-O 2.89Å; N22-H92 PolarHBondContact N-ND1 2.84Å; N22-H92 VanDerWaalsContact N-ND1 3.15Å; N22-H92 WeakPolarHBondContact O-CA 3.39Å; N22-H92 PolarHBondContact O-N 2.86Å; N22-A93 PolarHBondContact O-N 3.29Å
23L98.8Very high86.6Confident0 Ų046.9 Ų46.90%030%0.296CS..EExtended strand (participates in β ladder)trans-111.1128.8174.6-56.5-174.6000109.4V21 L70 R71 V72 M73 W90 A93 F176 A179 V180V21-L23 HydrophobicContact CG1-CD2 4.01Å; L23-L70 HydrophobicContact CD1-CD1 3.72Å; L23-L70 HydrophobicContact CD1-CD2 4.19Å; L23-L70 HydrophobicContact CD1-CG 4.34Å; L23-L70 HydrophobicContact CG-CD1 3.71Å; L23-R71 PolarHBondContact N-O 3.25Å; L23-V72 CarbonylContact O-C 3.57Å; L23-V72 WeakPolarHBondContact O-CA 3.43Å; L23-M73 PolarHBondContact O-N 3Å; L23-W90 WeakPolarHBondContact O-CZ3 3.43Å; L23-A93 WeakPolarHBondContact CA-O 3.27Å; L23-A93 HydrophobicContact CD2-CB 3.72Å; L23-F176 HydrophobicContact CD1-CD1 3.99Å; L23-A179 HydrophobicContact CD1-CB 4.21Å; L23-A179 HydrophobicContact CD2-CB 3.88Å; L23-V180 HydrophobicContact CD1-CG2 4.3Å
24A98.8Very high89Confident0 Ų045.5 Ų45.50%028%0.278CS..EExtended strand (participates in β ladder)trans-107129.9169.800000110.4L26 M73 W90 A91 A93 F94 L95A24-L26 HydrophobicContact CB-CD2 4.49Å; A24-M73 HydrophobicContact CB-CB 4.46Å; A24-W90 HydrophobicContact CB-CE3 4.45Å; A24-W90 HydrophobicContact CB-CZ3 4.24Å; A24-A91 HydrophobicContact CB-CB 3.8Å; A24-A93 PolarHBondContact N-O 3.08Å; A24-A93 VanDerWaalsContact N-O 3.15Å; A24-F94 HydrophobicContact CB-CD1 3.8Å; A24-F94 HydrophobicContact CB-CE1 3.9Å; A24-F94 WeakPolarHBondContact O-CA 3.38Å; A24-L95 PolarHBondContact O-N 2.75Å
25I98.7Very high91.4Very high0 Ų040.4 Ų40.40%025%0.245CC..EExtended strand (participates in β ladder)trans-100.8116.5177.7-47.7-165.4000108.8K33 T37 V72 M73 T75 L95 V97 F176I25-K33 HydrophobicContact CG2-CB 3.8Å; I25-K33 HydrophobicContact CG2-CD 4.14Å; I25-K33 HydrophobicContact CG2-CG 3.97Å; I25-T37 VanDerWaalsContact CD1-OG1 3.32Å; I25-T37 WeakPolarHBondContact CD1-OG1 3.33Å; I25-V72 HydrophobicContact CD1-CG1 3.66Å; I25-V72 HydrophobicContact CG1-CG1 3.91Å; I25-M73 PolarHBondContact N-O 3.19Å; I25-T75 WeakPolarHBondContact O-CB 3.43Å; I25-T75 WeakPolarHBondContact O-CG2 3.42Å; I25-T75 PolarHBondContact O-N 2.95Å; I25-T75 PolarHBondContact O-OG1 2.96Å; I25-L95 CarbonylContact C-O 3.53Å; I25-L95 WeakPolarHBondContact CA-O 3.29Å; I25-L95 HydrophobicContact CD1-CD1 4.1Å; I25-L95 HydrophobicContact CG1-CB 4.26Å; I25-L95 HydrophobicContact CG1-CD1 4.2Å; I25-L95 HydrophobicContact CG2-CB 4.27Å; I25-V97 HydrophobicContact CG2-CG2 3.55Å; I25-F176 HydrophobicContact CD1-CE1 3.77Å; I25-F176 HydrophobicContact CD1-CZ 3.51Å
26L98.4Very high93.8Very high0 Ų034.5 Ų34.50%021%0.207CC..EExtended strand (participates in β ladder)trans-114.1161.4-174.4-54.1-177.9000110.4A24 K33 T75 Y87 F94 L95 V96 V97 Y112 L116A24-L26 HydrophobicContact CB-CD2 4.49Å; L26-K33 VanDerWaalsContact C-CD 3.45Å; L26-K33 WeakPolarHBondContact O-CD 3.49Å; L26-T75 HydrophobicContact CD2-CG2 3.79Å; L26-Y87 HydrophobicContact CD1-CD2 4.19Å; L26-Y87 HydrophobicContact CD1-CE2 3.98Å; L26-Y87 HydrophobicContact CD2-CD1 3.92Å; L26-Y87 HydrophobicContact CD2-CD2 3.86Å; L26-Y87 HydrophobicContact CD2-CE1 3.89Å; L26-Y87 HydrophobicContact CD2-CE2 3.85Å; L26-Y87 HydrophobicContact CD2-CG 3.9Å; L26-F94 HydrophobicContact CD1-CD1 3.64Å; L26-F94 HydrophobicContact CD1-CE1 4.18Å; L26-F94 HydrophobicContact CD1-CG 4.32Å; L26-F94 HydrophobicContact CG-CD1 4.18Å; L26-L95 PolarHBondContact N-O 3.15Å; L26-V96 HydrophobicContact CB-CG2 4.46Å; L26-V97 PolarHBondContact O-N 3.34Å; L26-Y112 HydrophobicContact CB-CD1 3.75Å; L26-Y112 HydrophobicContact CB-CE1 4.03Å; L26-Y112 HydrophobicContact CB-CG 4.14Å; L26-Y112 HydrophobicContact CD1-CD1 3.98Å; L26-Y112 HydrophobicContact CD2-CE1 4.49Å; L26-Y112 HydrophobicContact CG-CD1 4.32Å; L26-L116 HydrophobicContact CD1-CD1 4.39Å; L26-L116 HydrophobicContact CD1-CD2 4.1Å; L26-L116 HydrophobicContact CD1-CG 4.49Å
27G97.4Very high95.3Very high0 Ų029.4 Ų29.40%017%0.171CC..  trans134.1164.5177.400000112.9K33 V97 Y112G27-K33 WeakPolarHBondContact O-CE 3.37Å; G27-K33 PolarHBondContact O-NZ 3.35Å; G27-V97 WeakPolarHBondContact CA-O 3.32Å; G27-Y112 VanDerWaalsContact CA-CE2 3.46Å
28R95.9Very high96.3Very high46 Ų4623.6 Ų23.617%0.17414%0.135CC..  trans-60149.8-175.5-166.4172.7-176.6-97.4-9.6112.1G30 A31 D79 S108R28-G30 PolarHBondContact O-N 3.41Å; R28-A31 WeakPolarHBondContact O-CB 3.4Å; R28-A31 PolarHBondContact O-N 3.14Å; R28-A31 VanDerWaalsContact O-N 3.13Å; R28-D79 IonicContact CZ-OD1 2.68Å; R28-D79 IonicContact NE-OD1 3.12Å; R28-D79 IonicContact NH2-OD1 3.14Å; R28-D79 PolarHBondContact NH2-OD1 3.22Å; R28-S108 WeakPolarHBondContact CD-OG 3.46Å
29R94.7Very high97.1Very high105 Ų10521.2 Ų21.240%0.39612%0.118SC..THydrogen-bonded Turntrans-50.3134.6166.2-178.9175.3169.8147.6-2.6110.7A31 P51 N52 L78R29-A31 VanDerWaalsContact C-N 3.34Å; R29-P51 VanDerWaalsContact CZ-CB 3.47Å; R29-N52 PolarHBondContact NH1-OD1 3.27Å; R29-L78 WeakPolarHBondContact CB-O 3.42Å
30G94.5Very high97.4Very high55 Ų5518.9 Ų18.957%0.56711%0.106SC*.THydrogen-bonded Turntrans83.9-3.3-178.400000115.9R28 G32 K135R28-G30 PolarHBondContact O-N 3.41Å; G30-G32 PolarHBondContact O-N 2.81Å; G30-K135 WeakPolarHBondContact O-CE 3.23Å; G30-K135 PolarHBondContact O-NZ 3.34Å
31A96.6Very high97.4Very high1 Ų116.5 Ų16.51%0.00810%0.096CC..SBendtrans-68.5-16.1173.300000113.4R28 R29 V97 N134R28-A31 WeakPolarHBondContact O-CB 3.4Å; R28-A31 PolarHBondContact O-N 3.14Å; R28-A31 VanDerWaalsContact O-N 3.13Å; R29-A31 VanDerWaalsContact C-N 3.34Å; A31-V97 HydrophobicContact CB-CB 4.49Å; A31-V97 HydrophobicContact CB-CG1 4.19Å; A31-N134 PolarHBondContact O-ND2 3.49Å
32G97.3Very high97.2Very high17 Ų1717.5 Ų17.518%0.17510%0.102CC..  trans92.530.6177.100000114.9G30 A35 L36G30-G32 PolarHBondContact O-N 2.81Å; G32-A35 WeakPolarHBondContact O-CB 3.47Å; G32-A35 PolarHBondContact O-N 3.1Å; G32-L36 WeakPolarHBondContact O-CG 3.33Å; G32-L36 PolarHBondContact O-N 3.01Å
33K98.1Very high97.1Very high13 Ų1323.5 Ų23.56%0.05713%0.127CC..Hα-helixtrans-56.3-58175.9-54.2-169.4-56.1-79.40111.9I25 L26 G27 A35 L36 T37 D74 T75 V97I25-K33 HydrophobicContact CG2-CB 3.8Å; I25-K33 HydrophobicContact CG2-CD 4.14Å; I25-K33 HydrophobicContact CG2-CG 3.97Å; L26-K33 VanDerWaalsContact C-CD 3.45Å; L26-K33 WeakPolarHBondContact O-CD 3.49Å; G27-K33 WeakPolarHBondContact O-CE 3.37Å; G27-K33 PolarHBondContact O-NZ 3.35Å; K33-A35 VanDerWaalsContact C-N 3.25Å; K33-A35 PolarHBondContact O-N 2.78Å; K33-L36 PolarHBondContact O-N 3.11Å; K33-T37 PolarHBondContact O-N 3.07Å; K33-T37 PolarHBondContact O-OG1 2.87Å; K33-T37 VanDerWaalsContact O-OG1 3.07Å; K33-D74 VanDerWaalsContact CB-OD1 3.24Å; K33-D74 WeakPolarHBondContact CB-OD1 3.27Å; K33-T75 WeakPolarHBondContact CE-O 3.26Å; K33-T75 WeakPolarHBondContact CE-OG1 3.36Å; K33-T75 PolarHBondContact NZ-O 3.37Å; K33-V97 HydrophobicContact CG-CB 4.17Å; K33-V97 HydrophobicContact CG-CG2 4.32Å
34S97.6Very high96.8Very high24 Ų2429.9 Ų29.917%0.16815%0.151CC..Hα-helixtrans-58.1-36.1176.4-42.20000113.3T37 V38 D74S34-T37 PolarHBondContact O-N 3.11Å; S34-V38 WeakPolarHBondContact O-CB 3.41Å; S34-V38 WeakPolarHBondContact O-CG2 3.41Å; S34-V38 PolarHBondContact O-N 2.69Å; S34-D74 WeakPolarHBondContact CA-OD2 3.33Å; S34-D74 WeakPolarHBondContact CB-OD2 3.44Å; S34-D74 PolarHBondContact N-OD1 3.32Å; S34-D74 PolarHBondContact N-OD2 3.05Å; S34-D74 PolarHBondContact OG-OD2 3.42Å
35A97.4Very high96.5Very high10 Ų1034.5 Ų34.58%0.08317%0.171CC..Hα-helixtrans-64-43.5176.400000112G32 K33 K39 F45 Y49 A165G32-A35 WeakPolarHBondContact O-CB 3.47Å; G32-A35 PolarHBondContact O-N 3.1Å; K33-A35 VanDerWaalsContact C-N 3.25Å; K33-A35 PolarHBondContact O-N 2.78Å; A35-K39 WeakPolarHBondContact O-CB 3.29Å; A35-K39 PolarHBondContact O-N 3.43Å; A35-F45 HydrophobicContact CB-CE2 4.19Å; A35-Y49 HydrophobicContact CB-CE2 3.7Å; A35-A165 HydrophobicContact CB-CB 3.62Å
36L98.6Very high96.2Very high1 Ų135.7 Ų35.71%0.00518%0.178CC..Hα-helixtrans-66.5-44.6175-71.4171.8000111.4G32 K33 V38 K39 F40 V97 L132 N134 V163 A165 V172 F176G32-L36 WeakPolarHBondContact O-CG 3.33Å; G32-L36 PolarHBondContact O-N 3.01Å; K33-L36 PolarHBondContact O-N 3.11Å; L36-V38 PolarHBondContact O-N 2.8Å; L36-K39 PolarHBondContact O-N 3.32Å; L36-F40 WeakPolarHBondContact O-CB 3.38Å; L36-F40 PolarHBondContact O-N 3.47Å; L36-V97 HydrophobicContact CD1-CG1 3.85Å; L36-V97 HydrophobicContact CD1-CG2 4.12Å; L36-L132 HydrophobicContact CD1-CD1 4.34Å; L36-N134 HydrophobicContact CD1-CB 4.28Å; L36-V163 HydrophobicContact CD1-CG2 4.12Å; L36-V163 HydrophobicContact CD2-CB 4.48Å; L36-V163 HydrophobicContact CD2-CG2 3.86Å; L36-A165 HydrophobicContact CD2-CB 4.02Å; L36-A165 HydrophobicContact CG-CB 4.36Å; L36-V172 HydrophobicContact CD2-CG1 4.14Å; L36-V172 HydrophobicContact CD2-CG2 3.89Å; L36-F176 HydrophobicContact CB-CE2 4.34Å
37T98.1Very high95.5Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-55.4-49.7176-53.90000111.3I25 K33 S34 F40 L41 Y57 V72 D74I25-T37 VanDerWaalsContact CD1-OG1 3.32Å; I25-T37 WeakPolarHBondContact CD1-OG1 3.33Å; K33-T37 PolarHBondContact O-N 3.07Å; K33-T37 PolarHBondContact O-OG1 2.87Å; K33-T37 VanDerWaalsContact O-OG1 3.07Å; S34-T37 PolarHBondContact O-N 3.11Å; T37-F40 WeakPolarHBondContact O-CB 3.37Å; T37-F40 PolarHBondContact O-N 3.3Å; T37-L41 HydrophobicContact CG2-CD1 3.82Å; T37-L41 VanDerWaalsContact O-CG 3.26Å; T37-L41 WeakPolarHBondContact O-CG 3.43Å; T37-L41 PolarHBondContact O-N 3.36Å; T37-Y57 HydrophobicContact CG2-CD2 3.54Å; T37-Y57 HydrophobicContact CG2-CE2 3.86Å; T37-Y57 HydrophobicContact CG2-CG 4.42Å; T37-V72 HydrophobicContact CG2-CG1 4.02Å; T37-D74 HydrophobicContact CG2-CB 4.43Å
38V96.1Very high95.1Very high1 Ų145.9 Ų45.91%0.00624%0.235CC..Hα-helixtrans-69.8-39.9-179.5169.80000111.9S34 L36 F40 L41 T42 I46 Y49 F263S34-V38 WeakPolarHBondContact O-CB 3.41Å; S34-V38 WeakPolarHBondContact O-CG2 3.41Å; S34-V38 PolarHBondContact O-N 2.69Å; L36-V38 PolarHBondContact O-N 2.8Å; V38-F40 VanDerWaalsContact C-N 3.25Å; V38-F40 PolarHBondContact O-N 3.1Å; V38-L41 PolarHBondContact O-N 3.08Å; V38-T42 HydrophobicContact CG1-CG2 4.06Å; V38-T42 WeakPolarHBondContact CG1-OG1 3.5Å; V38-T42 WeakPolarHBondContact O-CA 3.43Å; V38-T42 VanDerWaalsContact O-CB 3.31Å; V38-T42 WeakPolarHBondContact O-CB 3.39Å; V38-T42 WeakPolarHBondContact O-CG2 3.48Å; V38-T42 PolarHBondContact O-N 3.48Å; V38-T42 PolarHBondContact O-OG1 3.48Å; V38-I46 HydrophobicContact CG1-CD1 3.93Å; V38-I46 HydrophobicContact CG1-CG1 4.15Å; V38-Y49 HydrophobicContact CB-CE1 4.07Å; V38-Y49 WeakPolarHBondContact CB-OH 3.42Å; V38-Y49 HydrophobicContact CG1-CE1 4.26Å; V38-Y49 WeakPolarHBondContact CG1-OH 3.27Å; V38-Y49 HydrophobicContact CG2-CE1 3.64Å; V38-F263 HydrophobicContact CB-CE1 4.5Å; V38-F263 HydrophobicContact CG2-CD1 3.58Å; V38-F263 HydrophobicContact CG2-CE1 2.98Å; V38-F263 HydrophobicContact CG2-CE2 4.02Å; V38-F263 HydrophobicContact CG2-CG 4.32Å; V38-F263 HydrophobicContact CG2-CZ 3.21Å
39K97.6Very high94.5Very high19 Ų1946.1 Ų46.18%0.08324%0.237CC..Hα-helixtrans-58.3-42.9174.5-179.162.1167.3-164.30110.9A35 L36 K43 R44 A165 L167 F169 V172A35-K39 WeakPolarHBondContact O-CB 3.29Å; A35-K39 PolarHBondContact O-N 3.43Å; L36-K39 PolarHBondContact O-N 3.32Å; K39-K43 WeakPolarHBondContact O-CA 3.37Å; K39-K43 PolarHBondContact O-N 3.29Å; K39-R44 VanDerWaalsContact CA-O 3.26Å; K39-R44 WeakPolarHBondContact CA-O 3.26Å; K39-A165 VanDerWaalsContact CD-O 3.24Å; K39-A165 WeakPolarHBondContact CD-O 3.48Å; K39-A165 WeakPolarHBondContact CE-O 3.46Å; K39-A165 WeakPolarHBondContact CG-O 3.07Å; K39-L167 WeakPolarHBondContact CE-O 3.25Å; K39-L167 PolarHBondContact NZ-O 3.39Å; K39-F169 WeakPolarHBondContact O-CD2 3.42Å; K39-V172 HydrophobicContact CB-CG1 4.32Å; K39-V172 HydrophobicContact CG-CB 4.11Å; K39-V172 HydrophobicContact CG-CG1 4.15Å; K39-V172 HydrophobicContact CG-CG2 3.89Å
40F98.3Very high94.3Very high5 Ų543.6 Ų43.62%0.02223%0.231CC..Hα-helixtrans-62.6-53.9175.2178.2-107.1000111.9L36 T37 V38 T42 E61 L70 F169 V172 Q173 F176L36-F40 WeakPolarHBondContact O-CB 3.38Å; L36-F40 PolarHBondContact O-N 3.47Å; T37-F40 WeakPolarHBondContact O-CB 3.37Å; T37-F40 PolarHBondContact O-N 3.3Å; V38-F40 VanDerWaalsContact C-N 3.25Å; V38-F40 PolarHBondContact O-N 3.1Å; F40-T42 PolarHBondContact O-N 2.94Å; F40-E61 HydrophobicContact CE1-CG 4.45Å; F40-E61 HydrophobicContact CZ-CG 3.94Å; F40-L70 HydrophobicContact CE1-CD2 3.58Å; F40-L70 HydrophobicContact CZ-CD2 3.67Å; F40-F169 WeakPolarHBondContact O-CE2 3.45Å; F40-V172 HydrophobicContact CB-CG1 4.1Å; F40-Q173 HydrophobicContact CE2-CG 4.24Å; F40-F176 HydrophobicContact CB-CD1 4.34Å; F40-F176 HydrophobicContact CB-CD2 4.01Å; F40-F176 HydrophobicContact CB-CE1 4.2Å; F40-F176 HydrophobicContact CB-CE2 3.86Å; F40-F176 HydrophobicContact CB-CG 4.25Å; F40-F176 HydrophobicContact CB-CZ 3.95Å; F40-F176 AromaticContact CD1-CD1 3.67Å; F40-F176 HydrophobicContact CD1-CD1 3.67Å; F40-F176 AromaticContact CD1-CE1 3.92Å; F40-F176 HydrophobicContact CD1-CE1 3.92Å; F40-F176 HydrophobicContact CD1-CG 4.07Å; F40-F176 HydrophobicContact CD2-CB 3.59Å; F40-F176 HydrophobicContact CD2-CD1 4.07Å; F40-F176 AromaticContact CD2-CD2 3.9Å; F40-F176 HydrophobicContact CD2-CD2 3.9Å; F40-F176 AromaticContact CD2-CG 3.59Å; F40-F176 HydrophobicContact CD2-CG 3.59Å; F40-F176 HydrophobicContact CE1-CB 4.46Å; F40-F176 AromaticContact CE1-CD1 3.96Å; F40-F176 HydrophobicContact CE1-CD1 3.96Å; F40-F176 HydrophobicContact CE1-CG 4.38Å; F40-F176 HydrophobicContact CE2-CB 3.45Å; F40-F176 VanDerWaalsContact CE2-CB 3.45Å; F40-F176 HydrophobicContact CE2-CD1 4.33Å; F40-F176 AromaticContact CE2-CG 3.92Å; F40-F176 HydrophobicContact CE2-CG 3.92Å; F40-F176 HydrophobicContact CG-CB 4.17Å; F40-F176 AromaticContact CG-CD1 3.73Å; F40-F176 HydrophobicContact CG-CD1 3.73Å; F40-F176 AromaticContact CG-CD2 3.93Å; F40-F176 HydrophobicContact CG-CD2 3.93Å; F40-F176 HydrophobicContact CG-CE1 4.02Å; F40-F176 HydrophobicContact CG-CE2 4.2Å; F40-F176 AromaticContact CG-CG 3.67Å; F40-F176 HydrophobicContact CG-CG 3.67Å; F40-F176 HydrophobicContact CG-CZ 4.24Å; F40-F176 HydrophobicContact CZ-CB 3.92Å; F40-F176 HydrophobicContact CZ-CD1 4.27Å; F40-F176 HydrophobicContact CZ-CG 4.29Å
41L96.1Very high94Very high36 Ų3643.8 Ų43.819%0.18822%0.222CC..Hα-helixtrans-72.7-28.6-173.6-64.7172.7000114.2T37 V38 Y57 L260T37-L41 HydrophobicContact CG2-CD1 3.82Å; T37-L41 VanDerWaalsContact O-CG 3.26Å; T37-L41 WeakPolarHBondContact O-CG 3.43Å; T37-L41 PolarHBondContact O-N 3.36Å; V38-L41 PolarHBondContact O-N 3.08Å; L41-Y57 HydrophobicContact CD1-CD1 4.33Å; L41-Y57 HydrophobicContact CD1-CD2 4.2Å; L41-Y57 HydrophobicContact CD1-CG 3.74Å; L41-L260 HydrophobicContact CB-CD1 4.45Å
42T94.3Very high93.7Very high23 Ų2348.4 Ų48.414%0.14125%0.247CC..Hα-helixtrans-120.9-9.5-16875.70000113.9V38 F40 R44 L259 L260V38-T42 HydrophobicContact CG1-CG2 4.06Å; V38-T42 WeakPolarHBondContact CG1-OG1 3.5Å; V38-T42 WeakPolarHBondContact O-CA 3.43Å; V38-T42 VanDerWaalsContact O-CB 3.31Å; V38-T42 WeakPolarHBondContact O-CB 3.39Å; V38-T42 WeakPolarHBondContact O-CG2 3.48Å; V38-T42 PolarHBondContact O-N 3.48Å; V38-T42 PolarHBondContact O-OG1 3.48Å; F40-T42 PolarHBondContact O-N 2.94Å; T42-R44 PolarHBondContact O-N 3.33Å; T42-R44 VanDerWaalsContact O-N 3.11Å; T42-R44 PolarHBondContact OG1-N 2.98Å; T42-R44 PolarHBondContact OG1-O 3.4Å; T42-L259 HydrophobicContact CG2-CD1 4.18Å; T42-L259 HydrophobicContact CG2-CD2 3.57Å; T42-L259 HydrophobicContact CG2-CG 4.43Å; T42-L260 HydrophobicContact CG2-CD1 3.55Å
43K95.8Very high93.5Very high138 Ų13850.4 Ų50.460%0.625%0.253SS*.SBendtrans62.56.9-172.1-51.1179.4178.8170.70113.9K39 F169K39-K43 WeakPolarHBondContact O-CA 3.37Å; K39-K43 PolarHBondContact O-N 3.29Å; K43-F169 HydrophobicContact CB-CD2 4.13Å; K43-F169 HydrophobicContact CB-CG 4.23Å; K43-F169 HydrophobicContact CD-CD1 4.29Å; K43-F169 HydrophobicContact CD-CE1 4.11Å; K43-F169 HydrophobicContact CD-CZ 4.27Å; K43-F169 HydrophobicContact CG-CD1 4.15Å; K43-F169 HydrophobicContact CG-CD2 3.81Å; K43-F169 HydrophobicContact CG-CE1 4.08Å; K43-F169 HydrophobicContact CG-CE2 3.73Å; K43-F169 HydrophobicContact CG-CG 4.01Å; K43-F169 HydrophobicContact CG-CZ 3.87Å
44R92.6Very high93.3Very high134 Ų13453 Ų5351%0.50627%0.266SS..  trans-112.6150-178.9-62.4-177.4-172.5-84.6-3.3111K39 T42K39-R44 VanDerWaalsContact CA-O 3.26Å; K39-R44 WeakPolarHBondContact CA-O 3.26Å; T42-R44 PolarHBondContact O-N 3.33Å; T42-R44 VanDerWaalsContact O-N 3.11Å; T42-R44 PolarHBondContact OG1-N 2.98Å; T42-R44 PolarHBondContact OG1-O 3.4Å
45F93.6Very high93.2Very high96 Ų9654 Ų5442%0.42127%0.269SS..  trans-94.8131.5166.5176-111.5000108.9A35 A165 C166A35-F45 HydrophobicContact CB-CE2 4.19Å; F45-A165 HydrophobicContact CD2-CB 3.96Å; F45-A165 HydrophobicContact CE2-CB 4.15Å; F45-C166 HydrophobicContact CB-CB 4.29Å; F45-C166 HydrophobicContact CD1-CB 3.73Å; F45-C166 HydrophobicContact CD2-CB 3.82Å; F45-C166 HydrophobicContact CE1-CB 3.94Å; F45-C166 HydrophobicContact CE2-CB 4.02Å; F45-C166 HydrophobicContact CG-CB 3.66Å; F45-C166 HydrophobicContact CZ-CB 4.08Å
46I90.4Very high93.2Very high26 Ų2654.7 Ų54.713%0.13327%0.272CS..  trans-120135.4168.1-54.4175.9000105V38 E48 Y49 L259 I265V38-I46 HydrophobicContact CG1-CD1 3.93Å; V38-I46 HydrophobicContact CG1-CG1 4.15Å; I46-E48 WeakPolarHBondContact CG2-O 3.19Å; I46-Y49 HydrophobicContact CB-CE1 3.78Å; I46-Y49 HydrophobicContact CB-CE2 4.48Å; I46-Y49 WeakPolarHBondContact CB-OH 3.32Å; I46-Y49 HydrophobicContact CG2-CE1 4.1Å; I46-Y49 PolarHBondContact N-OH 3.22Å; I46-Y49 WeakPolarHBondContact O-CE2 3.24Å; I46-Y49 PolarHBondContact O-OH 3.02Å; I46-L259 HydrophobicContact CD1-CD1 4.4Å; I46-I265 HydrophobicContact CD1-CD1 3.95Å; I46-I265 HydrophobicContact CG2-CD1 4.49Å; I46-I265 HydrophobicContact CG2-CG2 4.31Å
47S85.6Confident93.1Very high90 Ų9055.1 Ų55.163%0.62927%0.274SS*.SBendtrans-88.5-22.6-176.447.10000113.1
48E87.1Confident93Very high124 Ų12455.8 Ų55.858%0.57928%0.279SS*.  trans-114.4122.3-171.7-67.2174.9-154.700110.2I46I46-E48 WeakPolarHBondContact CG2-O 3.19Å
49Y84.8Confident92.9Very high51 Ų5157 Ų5720%0.229%0.287CS..  trans-137.9150.2179.8-60-71000109.4A35 V38 I46 P51 F263A35-Y49 HydrophobicContact CB-CE2 3.7Å; V38-Y49 HydrophobicContact CB-CE1 4.07Å; V38-Y49 WeakPolarHBondContact CB-OH 3.42Å; V38-Y49 HydrophobicContact CG1-CE1 4.26Å; V38-Y49 WeakPolarHBondContact CG1-OH 3.27Å; V38-Y49 HydrophobicContact CG2-CE1 3.64Å; I46-Y49 HydrophobicContact CB-CE1 3.78Å; I46-Y49 HydrophobicContact CB-CE2 4.48Å; I46-Y49 WeakPolarHBondContact CB-OH 3.32Å; I46-Y49 HydrophobicContact CG2-CE1 4.1Å; I46-Y49 PolarHBondContact N-OH 3.22Å; I46-Y49 WeakPolarHBondContact O-CE2 3.24Å; I46-Y49 PolarHBondContact O-OH 3.02Å; Y49-P51 WeakPolarHBondContact O-CD 3.45Å; Y49-F263 HydrophobicContact CD1-CD1 4.27Å; Y49-F263 HydrophobicContact CE1-CD1 4.35Å
50D89Confident92.9Very high51 Ų5164.2 Ų64.227%0.27332%0.321SS..  trans-64.8112.9168.2-173.4-24.6000108.9N52 L53 F266D50-N52 PolarHBondContact O-N 3.49Å; D50-N52 PolarHBondContact OD1-N 2.93Å; D50-L53 HydrophobicContact CB-CB 3.89Å; D50-L53 PolarHBondContact O-N 3.47Å; D50-F266 HydrophobicContact CB-CE2 4.5Å
51P88.9Confident92.8Very high59 Ų5965.7 Ų65.738%0.38333%0.328SS..THydrogen-bonded Turntrans-75-4.6-173.333.1-37.7000113.8R29 Y49R29-P51 VanDerWaalsContact CZ-CB 3.47Å; Y49-P51 WeakPolarHBondContact O-CD 3.45Å
52N91.6Very high92.8Very high99 Ų9968.2 Ų68.253%0.52935%0.345SS..THydrogen-bonded Turntrans-111.2-1.1179-48.7-51.2000112.3R29 D50 E54R29-N52 PolarHBondContact NH1-OD1 3.27Å; D50-N52 PolarHBondContact O-N 3.49Å; D50-N52 PolarHBondContact OD1-N 2.93Å; N52-E54 PolarHBondContact O-N 3.07Å
53L91.5Very high93Very high58 Ų5867.1 Ų67.130%0.30434%0.338SS..  trans-80.6110.8179179.765000110D50 G262D50-L53 HydrophobicContact CB-CB 3.89Å; D50-L53 PolarHBondContact O-N 3.47Å; L53-G262 VanDerWaalsContact CD2-O 3.23Å; L53-G262 WeakPolarHBondContact CD2-O 3.48Å
54E94.6Very high93Very high69 Ų6964.6 Ų64.632%0.32233%0.331SS..  trans-100130.5164174.5167.2118.700109N52 D74 T75 A76 R86N52-E54 PolarHBondContact O-N 3.07Å; E54-D74 WeakPolarHBondContact CA-O 3.31Å; E54-D74 WeakPolarHBondContact CG-O 3.05Å; E54-T75 WeakPolarHBondContact OE2-CA 3.4Å; E54-A76 HydrophobicContact CB-CB 3.85Å; E54-A76 PolarHBondContact OE2-N 2.6Å; E54-A76 VanDerWaalsContact OE2-N 3.12Å; E54-R86 WeakPolarHBondContact OE1-CD 3.37Å; E54-R86 IonicContact OE1-CZ 3.77Å; E54-R86 IonicContact OE1-NE 3.23Å; E54-R86 PolarHBondContact OE1-NE 3.35Å; E54-R86 IonicContact OE1-NH2 3.8Å; E54-R86 IonicContact OE2-CZ 3.27Å; E54-R86 IonicContact OE2-NE 3.4Å; E54-R86 PolarHBondContact OE2-NE 3.41Å; E54-R86 IonicContact OE2-NH2 2.87Å; E54-R86 PolarHBondContact OE2-NH2 2.9Å
55D95.3Very high93.1Very high44 Ų4466.9 Ų66.924%0.23535%0.347CS..EExtended strand (participates in β ladder)trans-151.8162.9-179.9-155.2-7.8000111.3Y57 M73 D74D55-Y57 HydrophobicContact CB-CE1 4.18Å; D55-Y57 HydrophobicContact CB-CE2 4.17Å; D55-M73 WeakPolarHBondContact O-CA 3.49Å; D55-D74 PolarHBondContact N-O 2.86Å; D55-D74 PolarHBondContact O-N 3.13Å
56T97.2Very high93.2Very high25 Ų2567.8 Ų67.815%0.15335%0.353CS..EExtended strand (participates in β ladder)trans-116.4113.4175.1-57.90000110.6R71 V72 W90T56-R71 HydrophobicContact CG2-CB 4.16Å; T56-V72 CarbonylContact C-O 3.59Å; T56-V72 WeakPolarHBondContact CA-O 3.47Å; T56-W90 HydrophobicContact CG2-CH2 4.07Å; T56-W90 HydrophobicContact CG2-CZ2 3.89Å
57Y96.6Very high93.4Very high9 Ų969.5 Ų69.54%0.03537%0.365CS..EExtended strand (participates in β ladder)trans-94.7144.8-179.6-52.8-76000110.9T37 L41 D55 R71 V72 D74 F263T37-Y57 HydrophobicContact CG2-CD2 3.54Å; T37-Y57 HydrophobicContact CG2-CE2 3.86Å; T37-Y57 HydrophobicContact CG2-CG 4.42Å; L41-Y57 HydrophobicContact CD1-CD1 4.33Å; L41-Y57 HydrophobicContact CD1-CD2 4.2Å; L41-Y57 HydrophobicContact CD1-CG 3.74Å; D55-Y57 HydrophobicContact CB-CE1 4.18Å; D55-Y57 HydrophobicContact CB-CE2 4.17Å; Y57-R71 CarbonylContact O-C 3.51Å; Y57-R71 VanDerWaalsContact O-CA 3.3Å; Y57-R71 WeakPolarHBondContact O-CA 3.47Å; Y57-V72 PolarHBondContact N-O 3.33Å; Y57-V72 PolarHBondContact O-N 2.9Å; Y57-D74 HydrophobicContact CD2-CB 4.5Å; Y57-D74 HydrophobicContact CE2-CB 3.9Å; Y57-F263 AromaticContact CD1-CE2 3.67Å; Y57-F263 HydrophobicContact CD1-CE2 3.67Å; Y57-F263 HydrophobicContact CD1-CZ 4.04Å; Y57-F263 HydrophobicContact CD2-CZ 4.34Å; Y57-F263 AromaticContact CE1-CD2 3.96Å; Y57-F263 HydrophobicContact CE1-CD2 3.96Å; Y57-F263 HydrophobicContact CE1-CE1 4.31Å; Y57-F263 AromaticContact CE1-CE2 3.14Å; Y57-F263 HydrophobicContact CE1-CE2 3.14Å; Y57-F263 AromaticContact CE1-CZ 3.37Å; Y57-F263 HydrophobicContact CE1-CZ 3.37Å; Y57-F263 HydrophobicContact CE2-CE1 4.44Å; Y57-F263 HydrophobicContact CE2-CE2 4.3Å; Y57-F263 AromaticContact CE2-CZ 3.68Å; Y57-F263 HydrophobicContact CE2-CZ 3.68Å; Y57-F263 HydrophobicContact CG-CE2 4.44Å; Y57-F263 HydrophobicContact CG-CZ 4.48Å; Y57-F263 AromaticContact CZ-CE1 3.83Å; Y57-F263 AromaticContact CZ-CE2 3.51Å; Y57-F263 AromaticContact CZ-CZ 3.14Å; Y57-F263 WeakPolarHBondContact OH-CE1 3.41Å; Y57-F263 VanDerWaalsContact OH-CZ 3.25Å; Y57-F263 WeakPolarHBondContact OH-CZ 3.21Å
58S95.9Very high93.9Very high15 Ų1565.3 Ų65.311%0.10534%0.336CS..EExtended strand (participates in β ladder)trans-115.5138.5176-54.60000111L70 V235S58-L70 CarbonylContact C-O 3.56Å; S58-L70 VanDerWaalsContact CA-O 3.31Å; S58-L70 WeakPolarHBondContact CA-O 3.33Å; S58-V235 WeakPolarHBondContact OG-CG1 3.47Å
59S94.6Very high94.4Very high26 Ų2662.3 Ų62.318%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-139.1149.5176.1-161.30000110.8E61 L70S59-E61 WeakPolarHBondContact CB-OE1 3.42Å; S59-E61 PolarHBondContact OG-OE1 3.44Å; S59-L70 PolarHBondContact N-O 3.45Å; S59-L70 PolarHBondContact O-N 3.47Å
60E96.3Very high95.1Very high171 Ų17159.9 Ų59.980%0.79931%0.313SS*.EExtended strand (participates in β ladder)trans-98.5113.2169.3-68.8-177.9176.100108.5
61E96.8Very high95.5Very high35 Ų3559.8 Ų59.816%0.16431%0.308CS..EExtended strand (participates in β ladder)trans-117.4158.9-175.4-62-59.4152.200111F40 S59 P67 V68 L70 H177F40-E61 HydrophobicContact CE1-CG 4.45Å; F40-E61 HydrophobicContact CZ-CG 3.94Å; S59-E61 WeakPolarHBondContact CB-OE1 3.42Å; S59-E61 PolarHBondContact OG-OE1 3.44Å; E61-P67 CarbonylContact O-C 3.53Å; E61-P67 WeakPolarHBondContact O-CA 3.2Å; E61-V68 PolarHBondContact N-O 3.38Å; E61-V68 PolarHBondContact O-N 3Å; E61-L70 HydrophobicContact CG-CB 4.17Å; E61-L70 HydrophobicContact CG-CD2 4.01Å; E61-H177 IonicContact OE2-NE2 3.89Å
62T97Very high96Very high89 Ų8957 Ų5755%0.54629%0.29SS..EExtended strand (participates in β ladder)trans-119.8109.5170-59.10000108.9
63V97.4Very high96.3Very high0 Ų053 Ų530%027%0.269CS..EExtended strand (participates in β ladder)trans-113.1120.9179-175.20000108.2H65 Q66 V68 H177 V180 R181 R184V63-H65 VanDerWaalsContact C-N 3.31Å; V63-H65 PolarHBondContact O-N 2.97Å; V63-Q66 PolarHBondContact N-O 3.17Å; V63-Q66 WeakPolarHBondContact O-CB 3.3Å; V63-Q66 PolarHBondContact O-N 3.47Å; V63-V68 HydrophobicContact CB-CG2 4.44Å; V63-V68 HydrophobicContact CG2-CG2 4.36Å; V63-H177 HydrophobicContact CG1-CB 4.12Å; V63-H177 HydrophobicContact CG2-CB 4.25Å; V63-V180 HydrophobicContact CB-CG1 4.07Å; V63-V180 HydrophobicContact CG1-CB 4.48Å; V63-V180 HydrophobicContact CG1-CG1 4.19Å; V63-V180 HydrophobicContact CG2-CB 4.2Å; V63-V180 HydrophobicContact CG2-CG1 3.86Å; V63-R181 HydrophobicContact CG1-CG 3.99Å; V63-R184 PolarHBondContact O-NH1 3.48Å
64D96.4Very high96.6Very high85 Ų8550.3 Ų50.346%0.45526%0.255SS..THydrogen-bonded Turntrans52.547.4-176.7-51.2-29.3000112.6Q66 R181D64-Q66 PolarHBondContact O-N 3.24Å; D64-Q66 VanDerWaalsContact O-N 3.11Å; D64-R181 IonicContact OD1-CZ 3.41Å; D64-R181 IonicContact OD1-NE 3.09Å; D64-R181 PolarHBondContact OD1-NE 2.77Å; D64-R181 VanDerWaalsContact OD1-NE 3.09Å; D64-R181 IonicContact OD1-NH2 2.81Å; D64-R181 PolarHBondContact OD1-NH2 3.32Å; D64-R181 WeakPolarHBondContact OD2-CD 3.31Å; D64-R181 WeakPolarHBondContact OD2-CG 3.47Å; D64-R181 IonicContact OD2-CZ 3.89Å; D64-R181 IonicContact OD2-NE 2.86Å; D64-R181 PolarHBondContact OD2-NE 3.07Å
65H95.1Very high96.7Very high182 Ų18247.1 Ų47.184%0.84324%0.24SC*.THydrogen-bonded Turntrans62.810.7-178-46.6-69.4000115.4V63V63-H65 VanDerWaalsContact C-N 3.31Å; V63-H65 PolarHBondContact O-N 2.97Å
66Q94.9Very high96.7Very high116 Ų11646.1 Ų46.154%0.54224%0.237SC..EExtended strand (participates in β ladder)trans-112126178.5-65-64.7-24.800110.5V63 D64 R184V63-Q66 PolarHBondContact N-O 3.17Å; V63-Q66 WeakPolarHBondContact O-CB 3.3Å; V63-Q66 PolarHBondContact O-N 3.47Å; D64-Q66 PolarHBondContact O-N 3.24Å; D64-Q66 VanDerWaalsContact O-N 3.11Å; Q66-R184 PolarHBondContact O-NH2 3.27Å; Q66-R184 VanDerWaalsContact O-NH2 3.1Å
67P95.7Very high96.3Very high61 Ų6145.4 Ų45.440%0.39623%0.233SC..EExtended strand (participates in β ladder)trans-66.6143.6179.728.9-34.7000111.6P18 E61P18-P67 HydrophobicContact CB-CB 4.31Å; E61-P67 CarbonylContact O-C 3.53Å; E61-P67 WeakPolarHBondContact O-CA 3.2Å
68V96.6Very high95.4Very high2 Ų250.1 Ų50.11%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-134.7131.4-179.3-177.70000109.2L19 V21 E61 V63 L70 V180L19-V68 WeakPolarHBondContact O-CA 3.47Å; L19-V68 WeakPolarHBondContact O-CG1 3.47Å; V21-V68 HydrophobicContact CB-CG1 3.84Å; V21-V68 HydrophobicContact CG2-CG1 3.74Å; E61-V68 PolarHBondContact N-O 3.38Å; E61-V68 PolarHBondContact O-N 3Å; V63-V68 HydrophobicContact CB-CG2 4.44Å; V63-V68 HydrophobicContact CG2-CG2 4.36Å; V68-L70 HydrophobicContact CG1-CB 4.24Å; V68-L70 HydrophobicContact CG1-CD1 4.41Å; V68-L70 PolarHBondContact O-N 2.82Å; V68-V180 HydrophobicContact CG1-CG1 4.3Å; V68-V180 HydrophobicContact CG2-CG1 3.97Å
69H97.3Very high94.5Very high62 Ų6253.6 Ų53.629%0.28728%0.275SS..EExtended strand (participates in β ladder)trans-87.198162.1-169.966.3000108.3L19 E20 V21L19-H69 PolarHBondContact O-N 2.95Å; E20-H69 CarbonylContact C-O 3.6Å; E20-H69 VanDerWaalsContact CA-O 3.29Å; E20-H69 WeakPolarHBondContact CA-O 3.5Å; V21-H69 PolarHBondContact N-O 3.33Å
70L97.9Very high93.7Very high0 Ų055.9 Ų55.90%029%0.288CS..EExtended strand (participates in β ladder)trans-91.5127.9-174.2-169.563.2000110.1V21 L23 F40 S58 S59 E61 V68 V72 V180V21-L70 HydrophobicContact CB-CD1 3.98Å; V21-L70 HydrophobicContact CG1-CD1 4.02Å; V21-L70 WeakPolarHBondContact O-CA 3.34Å; V21-L70 WeakPolarHBondContact O-CD1 3.15Å; L23-L70 HydrophobicContact CD1-CD1 3.72Å; L23-L70 HydrophobicContact CD1-CD2 4.19Å; L23-L70 HydrophobicContact CD1-CG 4.34Å; L23-L70 HydrophobicContact CG-CD1 3.71Å; F40-L70 HydrophobicContact CE1-CD2 3.58Å; F40-L70 HydrophobicContact CZ-CD2 3.67Å; S58-L70 CarbonylContact C-O 3.56Å; S58-L70 VanDerWaalsContact CA-O 3.31Å; S58-L70 WeakPolarHBondContact CA-O 3.33Å; S59-L70 PolarHBondContact N-O 3.45Å; S59-L70 PolarHBondContact O-N 3.47Å; E61-L70 HydrophobicContact CG-CB 4.17Å; E61-L70 HydrophobicContact CG-CD2 4.01Å; V68-L70 HydrophobicContact CG1-CB 4.24Å; V68-L70 HydrophobicContact CG1-CD1 4.41Å; V68-L70 PolarHBondContact O-N 2.82Å; L70-V72 HydrophobicContact CD2-CG2 4.14Å; L70-V72 HydrophobicContact CG-CG2 4.04Å; L70-V180 HydrophobicContact CD1-CG2 3.5Å; L70-V180 HydrophobicContact CD2-CG2 4.34Å
71R98.4Very high93.2Very high48 Ų4849.4 Ų49.418%0.18126%0.261CS..EExtended strand (participates in β ladder)trans-113.7127.6170.8-60.2-176.567.3-176.3-1.8109.5E20 V21 N22 L23 T56 Y57 W90 V235E20-R71 WeakPolarHBondContact OE1-CD 3.3Å; E20-R71 IonicContact OE1-NH1 2.68Å; E20-R71 PolarHBondContact OE1-NH1 2.74Å; V21-R71 PolarHBondContact O-N 3.36Å; N22-R71 CarbonylContact C-O 3.56Å; N22-R71 WeakPolarHBondContact CA-O 3.31Å; N22-R71 WeakPolarHBondContact OD1-CB 3.35Å; L23-R71 PolarHBondContact N-O 3.25Å; T56-R71 HydrophobicContact CG2-CB 4.16Å; Y57-R71 CarbonylContact O-C 3.51Å; Y57-R71 VanDerWaalsContact O-CA 3.3Å; Y57-R71 WeakPolarHBondContact O-CA 3.47Å; R71-W90 HydrophobicContact CB-CH2 4.06Å; R71-W90 HydrophobicContact CB-CZ2 3.78Å; R71-V235 VanDerWaalsContact NH2-CG2 3.28Å
72V98.6Very high92.7Very high1 Ų156.1 Ų56.11%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-119.9111.1-176.5-1770000109.1L23 I25 T37 T56 Y57 L70 F176L23-V72 CarbonylContact O-C 3.57Å; L23-V72 WeakPolarHBondContact O-CA 3.43Å; I25-V72 HydrophobicContact CD1-CG1 3.66Å; I25-V72 HydrophobicContact CG1-CG1 3.91Å; T37-V72 HydrophobicContact CG2-CG1 4.02Å; T56-V72 CarbonylContact C-O 3.59Å; T56-V72 WeakPolarHBondContact CA-O 3.47Å; Y57-V72 PolarHBondContact N-O 3.33Å; Y57-V72 PolarHBondContact O-N 2.9Å; L70-V72 HydrophobicContact CD2-CG2 4.14Å; L70-V72 HydrophobicContact CG-CG2 4.04Å; V72-F176 HydrophobicContact CG1-CE1 3.96Å; V72-F176 HydrophobicContact CG2-CD1 4.43Å; V72-F176 HydrophobicContact CG2-CE1 4.18Å
73M98.6Very high92.3Very high16 Ų1657.9 Ų57.98%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-87111.5171.3-178.2-176.8-66.400109.5L23 A24 I25 D55 T75 W90L23-M73 PolarHBondContact O-N 3Å; A24-M73 HydrophobicContact CB-CB 4.46Å; I25-M73 PolarHBondContact N-O 3.19Å; D55-M73 WeakPolarHBondContact O-CA 3.49Å; M73-T75 HydrophobicContact CG-CG2 4.14Å; M73-T75 HydrophobicContact SD-CG2 4.22Å; M73-W90 HydrophobicContact CB-CE3 4.21Å; M73-W90 HydrophobicContact CB-CH2 3.79Å; M73-W90 HydrophobicContact CB-CZ3 3.45Å; M73-W90 VanDerWaalsContact CB-CZ3 3.45Å; M73-W90 HydrophobicContact CE-CD2 3.84Å; M73-W90 HydrophobicContact CE-CE3 3.66Å; M73-W90 HydrophobicContact CE-CG 4.37Å; M73-W90 HydrophobicContact CE-CZ3 4.02Å; M73-W90 HydrophobicContact SD-CE3 4.38Å
74D97.5Very high92.1Very high1 Ų158.6 Ų58.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-90.9107.7171.2-177.826.1000109K33 S34 T37 E54 D55 Y57K33-D74 VanDerWaalsContact CB-OD1 3.24Å; K33-D74 WeakPolarHBondContact CB-OD1 3.27Å; S34-D74 WeakPolarHBondContact CA-OD2 3.33Å; S34-D74 WeakPolarHBondContact CB-OD2 3.44Å; S34-D74 PolarHBondContact N-OD1 3.32Å; S34-D74 PolarHBondContact N-OD2 3.05Å; S34-D74 PolarHBondContact OG-OD2 3.42Å; T37-D74 HydrophobicContact CG2-CB 4.43Å; E54-D74 WeakPolarHBondContact CA-O 3.31Å; E54-D74 WeakPolarHBondContact CG-O 3.05Å; D55-D74 PolarHBondContact N-O 2.86Å; D55-D74 PolarHBondContact O-N 3.13Å; Y57-D74 HydrophobicContact CD2-CB 4.5Å; Y57-D74 HydrophobicContact CE2-CB 3.9Å
75T97.4Very high92Very high2 Ų260.7 Ų60.71%0.01230%0.303CS..  trans-82151.1-174.463.40000112.9I25 L26 K33 E54 M73 Y87I25-T75 WeakPolarHBondContact O-CB 3.43Å; I25-T75 WeakPolarHBondContact O-CG2 3.42Å; I25-T75 PolarHBondContact O-N 2.95Å; I25-T75 PolarHBondContact O-OG1 2.96Å; L26-T75 HydrophobicContact CD2-CG2 3.79Å; K33-T75 WeakPolarHBondContact CE-O 3.26Å; K33-T75 WeakPolarHBondContact CE-OG1 3.36Å; K33-T75 PolarHBondContact NZ-O 3.37Å; E54-T75 WeakPolarHBondContact OE2-CA 3.4Å; M73-T75 HydrophobicContact CG-CG2 4.14Å; M73-T75 HydrophobicContact SD-CG2 4.22Å; T75-Y87 HydrophobicContact CG2-CD1 4.03Å; T75-Y87 HydrophobicContact CG2-CE1 4.45Å
76A94.1Very high92Very high22 Ų2255.3 Ų55.318%0.18228%0.275CS..  trans-121.644.4177.600000112.5E54 L78E54-A76 HydrophobicContact CB-CB 3.85Å; E54-A76 PolarHBondContact OE2-N 2.6Å; E54-A76 VanDerWaalsContact OE2-N 3.12Å; A76-L78 PolarHBondContact O-N 3.43Å
77D88.9Confident92.1Very high11 Ų1149.8 Ų49.86%0.05925%0.249CC..  trans-60.1137171.7-72.5-18.3000110.6R86 Y112D77-R86 IonicContact OD1-CZ 3.68Å; D77-R86 IonicContact OD1-NH1 3.75Å; D77-R86 IonicContact OD1-NH2 2.74Å; D77-R86 PolarHBondContact OD1-NH2 2.91Å; D77-Y112 WeakPolarHBondContact CB-OH 3.35Å; D77-Y112 VanDerWaalsContact CG-OH 3.29Å; D77-Y112 VanDerWaalsContact OD2-CE1 3.31Å; D77-Y112 WeakPolarHBondContact OD2-CE1 3.39Å; D77-Y112 PolarHBondContact OD2-OH 2.82Å
78L79Confident92.1Very high107 Ų10747.3 Ų47.356%0.5623%0.232SC*.  trans-71-71.2-176.7-67.6172.1000111.8R29 A76R29-L78 WeakPolarHBondContact CB-O 3.42Å; A76-L78 PolarHBondContact O-N 3.43Å
79D75.7Confident92.1Very high89 Ų8951.4 Ų51.448%0.47626%0.255SS..SBendtrans-130.4-34.9-177.6-76.3-57.2000113.2R28R28-D79 IonicContact CZ-OD1 2.68Å; R28-D79 IonicContact NE-OD1 3.12Å; R28-D79 IonicContact NH2-OD1 3.14Å; R28-D79 PolarHBondContact NH2-OD1 3.22Å
80T78.8Confident92.1Very high73 Ų7350.3 Ų50.345%0.44825%0.248SC..SBendtrans-126.6152.6179.565.10000110.3R82T80-R82 PolarHBondContact O-N 2.98Å
81P84.8Confident92.1Very high35 Ų3550.3 Ų50.323%0.22725%0.248CC..  trans-54.9129.1170.4-18.728.9000110.4Y112 L115P81-Y112 HydrophobicContact CB-CD1 4.25Å; P81-Y112 HydrophobicContact CB-CE1 3.86Å; P81-Y112 HydrophobicContact CG-CD1 3.78Å; P81-Y112 HydrophobicContact CG-CD2 4.42Å; P81-Y112 HydrophobicContact CG-CE1 3.61Å; P81-Y112 HydrophobicContact CG-CE2 4.24Å; P81-Y112 HydrophobicContact CG-CG 4.19Å; P81-L115 HydrophobicContact CB-CD2 3.68Å; P81-L115 HydrophobicContact CG-CD2 4.21Å
82R86.6Confident92.1Very high176 Ų17650.7 Ų50.766%0.66425%0.252SS*.  trans-139.3153.6174.5-68.7-173.1178.6-133.7-0.1108.7T80 C84 R86T80-R82 PolarHBondContact O-N 2.98Å; R82-C84 PolarHBondContact O-N 2.95Å; R82-R86 PolarHBondContact O-NH1 2.82Å
83N89.4Confident92.1Very high127 Ų12750.7 Ų50.768%0.67925%0.251SS*.SBendtrans49.743.7178.4-56.2-17.6000112.3E85 R86N83-E85 VanDerWaalsContact C-OE2 3.27Å; N83-E85 PolarHBondContact O-N 2.9Å; N83-R86 VanDerWaalsContact O-CG 3.31Å; N83-R86 WeakPolarHBondContact O-CG 3.4Å; N83-R86 PolarHBondContact O-N 3.33Å; N83-R86 PolarHBondContact O-NH1 3.41Å
84C93.4Very high92.1Very high14 Ų1450.1 Ų50.110%0.09525%0.249CC..THydrogen-bonded Turntrans-69-23.2-164.3-52.70000112.6R82 R86 Y87 L88 L115R82-C84 PolarHBondContact O-N 2.95Å; C84-R86 PolarHBondContact O-N 3.04Å; C84-Y87 HydrophobicContact CB-CE2 3.95Å; C84-Y87 WeakPolarHBondContact O-CD2 3.21Å; C84-Y87 PolarHBondContact O-N 3.36Å; C84-Y87 VanDerWaalsContact O-N 3.1Å; C84-Y87 PolarHBondContact SG-OH 3.35Å; C84-Y87 VanDerWaalsContact SG-OH 3.34Å; C84-L88 HydrophobicContact CB-CD1 3.51Å; C84-L88 HydrophobicContact CB-CG 4.03Å; C84-L88 WeakPolarHBondContact O-CB 3.47Å; C84-L88 WeakPolarHBondContact O-CG 3.35Å; C84-L88 PolarHBondContact O-N 3.01Å; C84-L115 HydrophobicContact CB-CD1 4.36Å; C84-L115 HydrophobicContact CB-CD2 3.82Å; C84-L115 VanDerWaalsContact SG-CD2 3.5Å
85E93.2Very high92.2Very high129 Ų12950.1 Ų50.160%0.60325%0.249SC*.Hα-helixtrans-55.4-28.6-179.1-57.282.9-179.200112.3N83 Y87 N89N83-E85 VanDerWaalsContact C-OE2 3.27Å; N83-E85 PolarHBondContact O-N 2.9Å; E85-Y87 VanDerWaalsContact C-N 3.29Å; E85-Y87 PolarHBondContact O-N 3.22Å; E85-N89 PolarHBondContact O-N 2.78Å
86R95.4Very high92.3Very high70 Ų7050 Ų5026%0.26425%0.248SC..Hα-helixtrans-61.1-33.2-179.879.4-173.2-176.5-83.98.1113.8E54 D77 R82 N83 C84 W90E54-R86 WeakPolarHBondContact OE1-CD 3.37Å; E54-R86 IonicContact OE1-CZ 3.77Å; E54-R86 IonicContact OE1-NE 3.23Å; E54-R86 PolarHBondContact OE1-NE 3.35Å; E54-R86 IonicContact OE1-NH2 3.8Å; E54-R86 IonicContact OE2-CZ 3.27Å; E54-R86 IonicContact OE2-NE 3.4Å; E54-R86 PolarHBondContact OE2-NE 3.41Å; E54-R86 IonicContact OE2-NH2 2.87Å; E54-R86 PolarHBondContact OE2-NH2 2.9Å; D77-R86 IonicContact OD1-CZ 3.68Å; D77-R86 IonicContact OD1-NH1 3.75Å; D77-R86 IonicContact OD1-NH2 2.74Å; D77-R86 PolarHBondContact OD1-NH2 2.91Å; R82-R86 PolarHBondContact O-NH1 2.82Å; N83-R86 VanDerWaalsContact O-CG 3.31Å; N83-R86 WeakPolarHBondContact O-CG 3.4Å; N83-R86 PolarHBondContact O-N 3.33Å; N83-R86 PolarHBondContact O-NH1 3.41Å; C84-R86 PolarHBondContact O-N 3.04Å; R86-W90 VanDerWaalsContact O-CB 3.29Å; R86-W90 WeakPolarHBondContact O-CB 3.32Å
87Y96.4Very high92.5Very high0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-108.6-30.6177.151.5-108.7000112.5L26 T75 C84 E85 N89 W90 A91 F94 L115L26-Y87 HydrophobicContact CD1-CD2 4.19Å; L26-Y87 HydrophobicContact CD1-CE2 3.98Å; L26-Y87 HydrophobicContact CD2-CD1 3.92Å; L26-Y87 HydrophobicContact CD2-CD2 3.86Å; L26-Y87 HydrophobicContact CD2-CE1 3.89Å; L26-Y87 HydrophobicContact CD2-CE2 3.85Å; L26-Y87 HydrophobicContact CD2-CG 3.9Å; T75-Y87 HydrophobicContact CG2-CD1 4.03Å; T75-Y87 HydrophobicContact CG2-CE1 4.45Å; C84-Y87 HydrophobicContact CB-CE2 3.95Å; C84-Y87 WeakPolarHBondContact O-CD2 3.21Å; C84-Y87 PolarHBondContact O-N 3.36Å; C84-Y87 VanDerWaalsContact O-N 3.1Å; C84-Y87 PolarHBondContact SG-OH 3.35Å; C84-Y87 VanDerWaalsContact SG-OH 3.34Å; E85-Y87 VanDerWaalsContact C-N 3.29Å; E85-Y87 PolarHBondContact O-N 3.22Å; Y87-N89 VanDerWaalsContact C-N 3.32Å; Y87-N89 PolarHBondContact O-N 2.84Å; Y87-W90 PolarHBondContact O-N 3.49Å; Y87-A91 WeakPolarHBondContact O-CB 3.41Å; Y87-A91 PolarHBondContact O-N 2.76Å; Y87-F94 HydrophobicContact CD2-CE1 4.02Å; Y87-L115 HydrophobicContact CE2-CD2 4.28Å
88L96.9Very high93Very high8 Ų848.5 Ų48.54%0.04224%0.237CC..Hα-helixtrans-58.6-44-179.8-73.7176.3000111.9C84 F94 L115 L116 H119C84-L88 HydrophobicContact CB-CD1 3.51Å; C84-L88 HydrophobicContact CB-CG 4.03Å; C84-L88 WeakPolarHBondContact O-CB 3.47Å; C84-L88 WeakPolarHBondContact O-CG 3.35Å; C84-L88 PolarHBondContact O-N 3.01Å; L88-F94 HydrophobicContact CD2-CZ 4.41Å; L88-L115 HydrophobicContact CD1-CD1 4.26Å; L88-L115 HydrophobicContact CD1-CG 4.41Å; L88-L115 HydrophobicContact CD2-CG 4.47Å; L88-L116 HydrophobicContact CD2-CD2 3.53Å; L88-H119 HydrophobicContact CD1-CB 4.21Å; L88-H119 HydrophobicContact CD2-CB 4.03Å
89N95.6Very high93.9Very high89 Ų8943.4 Ų43.448%0.47621%0.21SC..THydrogen-bonded Turntrans-85.3-18.1-179.7-65.9-38000113.2E85 Y87 H119 R125E85-N89 PolarHBondContact O-N 2.78Å; Y87-N89 VanDerWaalsContact C-N 3.32Å; Y87-N89 PolarHBondContact O-N 2.84Å; N89-H119 PolarHBondContact OD1-CE1 3.36Å; N89-H119 PolarHBondContact OD1-NE2 3.12Å; N89-R125 PolarHBondContact O-NH1 3.15Å
90W97.4Very high95Very high38 Ų3839.2 Ų39.214%0.14419%0.188CC..THydrogen-bonded Turntrans-94.4-37-171.4174.980.9000113.8N22 L23 A24 T56 R71 M73 R86 Y87N22-W90 HydrophobicContact CB-CD2 3.99Å; N22-W90 HydrophobicContact CB-CE3 4.04Å; N22-W90 HydrophobicContact CB-CH2 3.67Å; N22-W90 HydrophobicContact CB-CZ2 3.6Å; N22-W90 HydrophobicContact CB-CZ3 3.89Å; N22-W90 WeakPolarHBondContact CB-O 3.13Å; N22-W90 VanDerWaalsContact CG-CZ2 3.48Å; N22-W90 PolarHBondContact ND2-NE1 3.25Å; N22-W90 PolarHBondContact ND2-O 2.89Å; L23-W90 WeakPolarHBondContact O-CZ3 3.43Å; A24-W90 HydrophobicContact CB-CE3 4.45Å; A24-W90 HydrophobicContact CB-CZ3 4.24Å; T56-W90 HydrophobicContact CG2-CH2 4.07Å; T56-W90 HydrophobicContact CG2-CZ2 3.89Å; R71-W90 HydrophobicContact CB-CH2 4.06Å; R71-W90 HydrophobicContact CB-CZ2 3.78Å; M73-W90 HydrophobicContact CB-CE3 4.21Å; M73-W90 HydrophobicContact CB-CH2 3.79Å; M73-W90 HydrophobicContact CB-CZ3 3.45Å; M73-W90 VanDerWaalsContact CB-CZ3 3.45Å; M73-W90 HydrophobicContact CE-CD2 3.84Å; M73-W90 HydrophobicContact CE-CE3 3.66Å; M73-W90 HydrophobicContact CE-CG 4.37Å; M73-W90 HydrophobicContact CE-CZ3 4.02Å; M73-W90 HydrophobicContact SD-CE3 4.38Å; R86-W90 VanDerWaalsContact O-CB 3.29Å; R86-W90 WeakPolarHBondContact O-CB 3.32Å; Y87-W90 PolarHBondContact O-N 3.49Å
91A98.3Very high96Very high0 Ų037.4 Ų37.40%018%0.175CC..  trans-77.5145.5-171.100000113.3A24 Y87 F94 R125A24-A91 HydrophobicContact CB-CB 3.8Å; Y87-A91 WeakPolarHBondContact O-CB 3.41Å; Y87-A91 PolarHBondContact O-N 2.76Å; A91-F94 HydrophobicContact CB-CD1 4.06Å; A91-F94 HydrophobicContact CB-CE1 3.48Å; A91-F94 VanDerWaalsContact CB-CE1 3.48Å; A91-F94 HydrophobicContact CB-CE2 4.34Å; A91-F94 HydrophobicContact CB-CZ 3.64Å; A91-R125 PolarHBondContact O-NH2 2.84Å
92H98.4Very high96.6Very high57 Ų5737.1 Ų37.126%0.26417%0.174SC..SBendtrans-97.5-16.1168.5-55.2150.4000112.3V21 N22 V127 P128 A183V21-H92 HydrophobicContact CG1-CB 4.38Å; N22-H92 PolarHBondContact N-ND1 2.84Å; N22-H92 VanDerWaalsContact N-ND1 3.15Å; N22-H92 WeakPolarHBondContact O-CA 3.39Å; N22-H92 PolarHBondContact O-N 2.86Å; H92-V127 VanDerWaalsContact C-CG1 3.5Å; H92-V127 WeakPolarHBondContact O-CG1 3.41Å; H92-P128 VanDerWaalsContact O-CD 3.27Å; H92-P128 WeakPolarHBondContact O-CD 3.36Å; H92-A183 HydrophobicContact CB-CB 3.92Å; H92-A183 WeakPolarHBondContact O-CB 3.34Å
93A98.7Very high97.2Very high0 Ų032.1 Ų32.10%016%0.155CC..EExtended strand (participates in β ladder)trans-156.9158.3165.900000111N22 L23 A24 P128 A179 A183N22-A93 PolarHBondContact O-N 3.29Å; L23-A93 WeakPolarHBondContact CA-O 3.27Å; L23-A93 HydrophobicContact CD2-CB 3.72Å; A24-A93 PolarHBondContact N-O 3.08Å; A24-A93 VanDerWaalsContact N-O 3.15Å; A93-P128 CarbonylContact C-O 3.55Å; A93-P128 WeakPolarHBondContact CA-O 3.34Å; A93-P128 HydrophobicContact CB-CG 3.87Å; A93-A179 HydrophobicContact CB-CB 4.22Å; A93-A183 HydrophobicContact CB-CB 4.09Å
94F98.9Very high97.5Very high5 Ų531.1 Ų31.12%0.02215%0.147CC..EExtended strand (participates in β ladder)trans-115.2136179-63.3-76.1000112.1A24 L26 Y87 L88 A91 V96 L116 V127 P128 A129 L130A24-F94 HydrophobicContact CB-CD1 3.8Å; A24-F94 HydrophobicContact CB-CE1 3.9Å; A24-F94 WeakPolarHBondContact O-CA 3.38Å; L26-F94 HydrophobicContact CD1-CD1 3.64Å; L26-F94 HydrophobicContact CD1-CE1 4.18Å; L26-F94 HydrophobicContact CD1-CG 4.32Å; L26-F94 HydrophobicContact CG-CD1 4.18Å; Y87-F94 HydrophobicContact CD2-CE1 4.02Å; L88-F94 HydrophobicContact CD2-CZ 4.41Å; A91-F94 HydrophobicContact CB-CD1 4.06Å; A91-F94 HydrophobicContact CB-CE1 3.48Å; A91-F94 VanDerWaalsContact CB-CE1 3.48Å; A91-F94 HydrophobicContact CB-CE2 4.34Å; A91-F94 HydrophobicContact CB-CZ 3.64Å; F94-V96 HydrophobicContact CB-CG2 4.48Å; F94-L116 HydrophobicContact CB-CD1 3.76Å; F94-L116 HydrophobicContact CD1-CD1 4.42Å; F94-L116 HydrophobicContact CD1-CD2 4.01Å; F94-L116 HydrophobicContact CD2-CD1 3.69Å; F94-L116 HydrophobicContact CD2-CD2 3.66Å; F94-L116 HydrophobicContact CD2-CG 4.27Å; F94-L116 HydrophobicContact CE1-CD2 3.91Å; F94-L116 HydrophobicContact CE2-CD1 4.4Å; F94-L116 HydrophobicContact CE2-CD2 3.53Å; F94-L116 HydrophobicContact CG-CD1 3.7Å; F94-L116 HydrophobicContact CG-CD2 3.9Å; F94-L116 HydrophobicContact CG-CG 4.47Å; F94-L116 HydrophobicContact CZ-CD2 3.67Å; F94-V127 HydrophobicContact CD2-CB 4.16Å; F94-V127 HydrophobicContact CD2-CG1 3.63Å; F94-V127 HydrophobicContact CE2-CB 3.73Å; F94-V127 HydrophobicContact CE2-CG1 3.4Å; F94-V127 VanDerWaalsContact CE2-CG1 3.4Å; F94-V127 HydrophobicContact CE2-CG2 4.43Å; F94-V127 HydrophobicContact CZ-CG1 4.35Å; F94-P128 PolarHBondContact N-O 2.87Å; F94-A129 HydrophobicContact CB-CB 4.25Å; F94-A129 CarbonylContact O-C 3.56Å; F94-A129 WeakPolarHBondContact O-CA 3.43Å; F94-L130 PolarHBondContact O-N 3.39Å
95L98.9Very high97.8Very high1 Ų130.5 Ų30.51%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-105.2106.5164.3-61.1-177.1000108A24 I25 L26 L130 L132 F176 A179A24-L95 PolarHBondContact O-N 2.75Å; I25-L95 CarbonylContact C-O 3.53Å; I25-L95 WeakPolarHBondContact CA-O 3.29Å; I25-L95 HydrophobicContact CD1-CD1 4.1Å; I25-L95 HydrophobicContact CG1-CB 4.26Å; I25-L95 HydrophobicContact CG1-CD1 4.2Å; I25-L95 HydrophobicContact CG2-CB 4.27Å; L26-L95 PolarHBondContact N-O 3.15Å; L95-L130 HydrophobicContact CD2-CB 3.78Å; L95-L130 HydrophobicContact CD2-CD2 3.93Å; L95-L130 HydrophobicContact CD2-CG 4.28Å; L95-L132 HydrophobicContact CB-CD1 4.11Å; L95-L132 HydrophobicContact CD1-CD1 4.28Å; L95-L132 HydrophobicContact CD2-CD1 4.14Å; L95-L132 HydrophobicContact CG-CD1 4.41Å; L95-F176 HydrophobicContact CD1-CD1 4.04Å; L95-F176 HydrophobicContact CD1-CD2 4.13Å; L95-F176 HydrophobicContact CD1-CE1 3.87Å; L95-F176 HydrophobicContact CD1-CE2 3.98Å; L95-F176 HydrophobicContact CD1-CG 4.18Å; L95-F176 HydrophobicContact CD1-CZ 3.85Å; L95-A179 HydrophobicContact CD2-CB 3.75Å; L95-A179 HydrophobicContact CG-CB 4.49Å
96V98.8Very high98Very high0 Ų025.2 Ų25.20%012%0.118CC..EExtended strand (participates in β ladder)trans-95.9112.1178.2-173.50000108.7L26 F94 L113 L116 L130 L131 L132L26-V96 HydrophobicContact CB-CG2 4.46Å; F94-V96 HydrophobicContact CB-CG2 4.48Å; V96-L113 HydrophobicContact CB-CD2 4.34Å; V96-L113 HydrophobicContact CG1-CG 4.44Å; V96-L113 HydrophobicContact CG2-CD2 3.89Å; V96-L116 HydrophobicContact CG2-CD1 3.98Å; V96-L130 PolarHBondContact N-O 2.94Å; V96-L131 HydrophobicContact CB-CD1 4.38Å; V96-L131 HydrophobicContact CG1-CD1 4.32Å; V96-L131 CarbonylContact O-C 3.57Å; V96-L131 WeakPolarHBondContact O-CA 3.45Å; V96-L132 PolarHBondContact O-N 3.4Å
97V98.8Very high98.1Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-106130.5-169.7-169.30000110.9I25 L26 G27 A31 K33 L36 L132 N134I25-V97 HydrophobicContact CG2-CG2 3.55Å; L26-V97 PolarHBondContact O-N 3.34Å; G27-V97 WeakPolarHBondContact CA-O 3.32Å; A31-V97 HydrophobicContact CB-CB 4.49Å; A31-V97 HydrophobicContact CB-CG1 4.19Å; K33-V97 HydrophobicContact CG-CB 4.17Å; K33-V97 HydrophobicContact CG-CG2 4.32Å; L36-V97 HydrophobicContact CD1-CG1 3.85Å; L36-V97 HydrophobicContact CD1-CG2 4.12Å; V97-L132 HydrophobicContact CG2-CB 4.37Å; V97-L132 HydrophobicContact CG2-CD1 4.28Å; V97-N134 HydrophobicContact CG1-CB 3.77Å
98Y98.8Very high98.1Very high0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-124.5171.3162.474.1-85.6000110V100 S105 F106 L131 L132 G133 N134 V144 F160Y98-V100 HydrophobicContact CE2-CG1 4.27Å; Y98-S105 WeakPolarHBondContact CB-O 3.49Å; Y98-F106 HydrophobicContact CD1-CD2 4Å; Y98-F106 HydrophobicContact CD2-CB 3.8Å; Y98-F106 AromaticContact CD2-CD2 3.8Å; Y98-F106 HydrophobicContact CD2-CD2 3.8Å; Y98-F106 HydrophobicContact CD2-CG 4.29Å; Y98-F106 AromaticContact CE1-CD2 3.87Å; Y98-F106 HydrophobicContact CE1-CD2 3.87Å; Y98-F106 HydrophobicContact CE1-CE2 4.26Å; Y98-F106 HydrophobicContact CE2-CB 4.34Å; Y98-F106 AromaticContact CE2-CD2 3.68Å; Y98-F106 HydrophobicContact CE2-CD2 3.68Å; Y98-F106 HydrophobicContact CE2-CE2 4.46Å; Y98-F106 HydrophobicContact CE2-CG 4.42Å; Y98-F106 HydrophobicContact CG-CB 4.16Å; Y98-F106 AromaticContact CG-CD2 3.96Å; Y98-F106 HydrophobicContact CG-CD2 3.96Å; Y98-F106 AromaticContact CZ-CD2 3.71Å; Y98-L131 HydrophobicContact CD1-CD1 3.71Å; Y98-L131 HydrophobicContact CD1-CG 4.18Å; Y98-L131 HydrophobicContact CE1-CD1 3.96Å; Y98-L131 HydrophobicContact CE1-CD2 4.16Å; Y98-L131 HydrophobicContact CE1-CG 3.89Å; Y98-L132 WeakPolarHBondContact CD1-O 3.44Å; Y98-L132 PolarHBondContact N-O 2.83Å; Y98-G133 VanDerWaalsContact CE1-CA 3.49Å; Y98-G133 VanDerWaalsContact CZ-CA 3.45Å; Y98-N134 WeakPolarHBondContact O-CA 3.36Å; Y98-N134 VanDerWaalsContact O-CB 3.27Å; Y98-N134 WeakPolarHBondContact O-CB 3.34Å; Y98-N134 PolarHBondContact O-N 2.77Å; Y98-V144 HydrophobicContact CE2-CB 4.11Å; Y98-V144 HydrophobicContact CE2-CG1 3.98Å; Y98-V144 HydrophobicContact CE2-CG2 4.48Å; Y98-F160 AromaticContact CE1-CE2 3.96Å; Y98-F160 HydrophobicContact CE1-CE2 3.96Å; Y98-F160 WeakPolarHBondContact OH-CE2 3.34Å; Y98-F160 WeakPolarHBondContact OH-CZ 3.44Å
99S98.7Very high98.2Very high1 Ų126.6 Ų26.61%0.00713%0.132CC..EExtended strand (participates in β ladder)trans-108.2130175.7-164.50000110.5D101 S102 S105 K135S99-D101 VanDerWaalsContact CB-OD1 3.26Å; S99-D101 WeakPolarHBondContact CB-OD1 3.48Å; S99-D101 PolarHBondContact O-N 3.11Å; S99-D101 VanDerWaalsContact O-N 3.16Å; S99-D101 PolarHBondContact OG-OD1 2.83Å; S99-S102 PolarHBondContact O-N 3.42Å; S99-S105 PolarHBondContact N-OG 2.93Å; S99-S105 PolarHBondContact O-OG 2.93Å; S99-K135 WeakPolarHBondContact OG-CD 3.38Å; S99-K135 WeakPolarHBondContact OG-CE 3.38Å; S99-K135 VanDerWaalsContact OG-CG 3.32Å; S99-K135 WeakPolarHBondContact OG-CG 3.45Å; S99-K135 PolarHBondContact OG-NZ 2.92Å
100V98.8Very high98.3Very high0 Ų023.1 Ų23.10%012%0.115CC..THydrogen-bonded Turntrans-63.7-22.7-177.6-60.30000113.2Y98 N134 K135 Q143 V144Y98-V100 HydrophobicContact CE2-CG1 4.27Å; V100-N134 WeakPolarHBondContact CG1-O 3.41Å; V100-N134 WeakPolarHBondContact CG2-O 3.39Å; V100-N134 PolarHBondContact N-O 3.21Å; V100-K135 VanDerWaalsContact CG2-O 3.23Å; V100-K135 WeakPolarHBondContact CG2-O 3.47Å; V100-Q143 PolarHBondContact O-N 3.19Å; V100-V144 PolarHBondContact O-N 3.14Å; V100-V144 VanDerWaalsContact O-N 3.1Å
101D98.7Very high98.2Very high35 Ų3523.9 Ų23.919%0.18713%0.126CC..THydrogen-bonded Turntrans-88.76.8176.469.7-2.1000113.7S99 K135 M138 Q143S99-D101 VanDerWaalsContact CB-OD1 3.26Å; S99-D101 WeakPolarHBondContact CB-OD1 3.48Å; S99-D101 PolarHBondContact O-N 3.11Å; S99-D101 VanDerWaalsContact O-N 3.16Å; S99-D101 PolarHBondContact OG-OD1 2.83Å; D101-K135 IonicContact OD1-NZ 3.56Å; D101-K135 IonicContact OD2-NZ 2.84Å; D101-M138 HydrophobicContact CB-CB 4.27Å; D101-Q143 WeakPolarHBondContact O-CG 3.32Å; D101-Q143 PolarHBondContact O-NE2 2.82Å
102S98.5Very high98.2Very high30 Ų3024 Ų2421%0.2113%0.126CC..  trans-141.2102.5-177.1-179.60000112.4S99 Q104 S105 F106S99-S102 PolarHBondContact O-N 3.42Å; S102-Q104 VanDerWaalsContact C-N 3.29Å; S102-Q104 PolarHBondContact O-N 2.85Å; S102-S105 WeakPolarHBondContact CB-OG 3.3Å; S102-S105 PolarHBondContact O-N 2.82Å; S102-S105 VanDerWaalsContact O-N 3.13Å; S102-S105 PolarHBondContact O-OG 3.27Å; S102-S105 PolarHBondContact OG-N 2.95Å; S102-F106 PolarHBondContact O-N 3.26Å
103R98.4Very high98.2Very high70 Ų7021.4 Ų21.426%0.26412%0.115SC..Hα-helixtrans-54.9-44.5174.1177.155.257.2170.84.3112.3S105 F106 D107 Q143 E148R103-S105 VanDerWaalsContact C-N 3.26Å; R103-S105 PolarHBondContact O-N 2.85Å; R103-F106 WeakPolarHBondContact O-CA 3.23Å; R103-F106 WeakPolarHBondContact O-CB 3.27Å; R103-F106 PolarHBondContact O-N 3.19Å; R103-D107 PolarHBondContact O-N 3.3Å; R103-Q143 HydrophobicContact CB-CB 4.39Å; R103-Q143 PolarHBondContact NH2-O 3.35Å; R103-E148 IonicContact CZ-OE1 3.28Å; R103-E148 IonicContact NH1-OE1 3.61Å; R103-E148 PolarHBondContact NH1-OE1 3.1Å; R103-E148 VanDerWaalsContact NH2-CD 3.26Å; R103-E148 IonicContact NH2-OE1 2.71Å; R103-E148 PolarHBondContact NH2-OE1 2.83Å; R103-E148 IonicContact NH2-OE2 3.72Å; R103-E148 PolarHBondContact NH2-OE2 3.37Å; R103-E148 VanDerWaalsContact NH2-OE2 3.14Å
104Q97.4Very high98.1Very high106 Ų10626 Ų2650%0.49514%0.136SC..Hα-helixtrans-57-39.9179.1-170.5-177.225.800112.2S102 F106 D107 S108S102-Q104 VanDerWaalsContact C-N 3.29Å; S102-Q104 PolarHBondContact O-N 2.85Å; Q104-F106 VanDerWaalsContact C-N 3.32Å; Q104-F106 PolarHBondContact O-N 3.49Å; Q104-D107 PolarHBondContact O-N 2.89Å; Q104-S108 PolarHBondContact O-N 2.88Å; Q104-S108 VanDerWaalsContact O-N 3.07Å; Q104-S108 PolarHBondContact O-OG 3.43Å
105S97.9Very high98Very high2 Ų227.5 Ų27.51%0.01414%0.144CC..Hα-helixtrans-67.8-32.8177.475.70000112.8Y98 S99 S102 R103 S109Y98-S105 WeakPolarHBondContact CB-O 3.49Å; S99-S105 PolarHBondContact N-OG 2.93Å; S99-S105 PolarHBondContact O-OG 2.93Å; S102-S105 WeakPolarHBondContact CB-OG 3.3Å; S102-S105 PolarHBondContact O-N 2.82Å; S102-S105 VanDerWaalsContact O-N 3.13Å; S102-S105 PolarHBondContact O-OG 3.27Å; S102-S105 PolarHBondContact OG-N 2.95Å; R103-S105 VanDerWaalsContact C-N 3.26Å; R103-S105 PolarHBondContact O-N 2.85Å; S105-S109 PolarHBondContact O-N 3.1Å
106F98.6Very high98Very high18 Ų1828.3 Ų28.38%0.07915%0.148CC..Hα-helixtrans-70.2-43.9175.8176.3-102000111.6Y98 S102 R103 Q104 S108 S109 S110 V144 E148 L152Y98-F106 HydrophobicContact CD1-CD2 4Å; Y98-F106 HydrophobicContact CD2-CB 3.8Å; Y98-F106 AromaticContact CD2-CD2 3.8Å; Y98-F106 HydrophobicContact CD2-CD2 3.8Å; Y98-F106 HydrophobicContact CD2-CG 4.29Å; Y98-F106 AromaticContact CE1-CD2 3.87Å; Y98-F106 HydrophobicContact CE1-CD2 3.87Å; Y98-F106 HydrophobicContact CE1-CE2 4.26Å; Y98-F106 HydrophobicContact CE2-CB 4.34Å; Y98-F106 AromaticContact CE2-CD2 3.68Å; Y98-F106 HydrophobicContact CE2-CD2 3.68Å; Y98-F106 HydrophobicContact CE2-CE2 4.46Å; Y98-F106 HydrophobicContact CE2-CG 4.42Å; Y98-F106 HydrophobicContact CG-CB 4.16Å; Y98-F106 AromaticContact CG-CD2 3.96Å; Y98-F106 HydrophobicContact CG-CD2 3.96Å; Y98-F106 AromaticContact CZ-CD2 3.71Å; S102-F106 PolarHBondContact O-N 3.26Å; R103-F106 WeakPolarHBondContact O-CA 3.23Å; R103-F106 WeakPolarHBondContact O-CB 3.27Å; R103-F106 PolarHBondContact O-N 3.19Å; Q104-F106 VanDerWaalsContact C-N 3.32Å; Q104-F106 PolarHBondContact O-N 3.49Å; F106-S108 VanDerWaalsContact C-N 3.32Å; F106-S108 PolarHBondContact O-N 3.37Å; F106-S109 WeakPolarHBondContact O-CB 3.37Å; F106-S109 PolarHBondContact O-N 3.13Å; F106-S109 PolarHBondContact O-OG 3.48Å; F106-S110 PolarHBondContact O-N 3.16Å; F106-V144 HydrophobicContact CB-CG1 4.33Å; F106-V144 HydrophobicContact CB-CG2 3.72Å; F106-V144 HydrophobicContact CD1-CG1 4.08Å; F106-V144 HydrophobicContact CD1-CG2 4.44Å; F106-V144 HydrophobicContact CD2-CG1 3.67Å; F106-V144 HydrophobicContact CE1-CG1 4.24Å; F106-V144 HydrophobicContact CE2-CG1 3.84Å; F106-V144 HydrophobicContact CG-CG1 3.76Å; F106-V144 HydrophobicContact CG-CG2 4.03Å; F106-V144 HydrophobicContact CZ-CG1 4.1Å; F106-E148 HydrophobicContact CZ-CB 4.07Å; F106-L152 HydrophobicContact CD2-CD2 4.02Å; F106-L152 HydrophobicContact CE1-CD2 4.31Å; F106-L152 HydrophobicContact CE2-CB 4.01Å; F106-L152 HydrophobicContact CE2-CD2 3.43Å; F106-L152 VanDerWaalsContact CE2-CD2 3.43Å; F106-L152 HydrophobicContact CE2-CG 4.35Å; F106-L152 HydrophobicContact CZ-CB 3.77Å; F106-L152 HydrophobicContact CZ-CD2 3.62Å; F106-L152 HydrophobicContact CZ-CG 4.27Å
107D97.5Very high97.9Very high85 Ų8530 Ų3046%0.45516%0.162SC..Hα-helixtrans-60.9-43.4175.9-58.5-30.7000110.7R103 Q104 S109 S110 S111R103-D107 PolarHBondContact O-N 3.3Å; Q104-D107 PolarHBondContact O-N 2.89Å; D107-S109 VanDerWaalsContact C-N 3.3Å; D107-S109 PolarHBondContact O-N 3.25Å; D107-S110 VanDerWaalsContact O-CB 3.31Å; D107-S110 WeakPolarHBondContact O-CB 3.44Å; D107-S110 PolarHBondContact O-N 3.44Å; D107-S110 VanDerWaalsContact O-N 3.16Å; D107-S111 PolarHBondContact O-N 2.95Å
108S97Very high97.8Very high21 Ų2134.4 Ų34.415%0.14719%0.185CC..Hα-helixtrans-61.9-34.4173.3-62.90000113.4R28 Q104 F106 S110 S111 Y112R28-S108 WeakPolarHBondContact CD-OG 3.46Å; Q104-S108 PolarHBondContact O-N 2.88Å; Q104-S108 VanDerWaalsContact O-N 3.07Å; Q104-S108 PolarHBondContact O-OG 3.43Å; F106-S108 VanDerWaalsContact C-N 3.32Å; F106-S108 PolarHBondContact O-N 3.37Å; S108-S110 VanDerWaalsContact C-N 3.26Å; S108-S110 PolarHBondContact O-N 3.39Å; S108-S111 WeakPolarHBondContact O-CB 3.33Å; S108-S111 PolarHBondContact O-N 3.23Å; S108-S111 VanDerWaalsContact O-N 3.13Å; S108-Y112 VanDerWaalsContact O-CD2 3.27Å; S108-Y112 WeakPolarHBondContact O-CD2 3.32Å; S108-Y112 PolarHBondContact O-N 2.68Å
109S97.8Very high97.7Very high0 Ų035.6 Ų35.60%019%0.191CC..Hα-helixtrans-63.6-32.7176.677.80000112.4S105 F106 D107 Y112 L113S105-S109 PolarHBondContact O-N 3.1Å; F106-S109 WeakPolarHBondContact O-CB 3.37Å; F106-S109 PolarHBondContact O-N 3.13Å; F106-S109 PolarHBondContact O-OG 3.48Å; D107-S109 VanDerWaalsContact C-N 3.3Å; D107-S109 PolarHBondContact O-N 3.25Å; S109-Y112 PolarHBondContact O-N 3.33Å; S109-L113 WeakPolarHBondContact O-CG 3.42Å; S109-L113 PolarHBondContact O-N 2.84Å
110S97.8Very high97.5Very high16 Ų1637 Ų3711%0.11220%0.203CC..Hα-helixtrans-60.9-44.2171.3-168.70000111.1F106 D107 S108 Y112 L113 E114F106-S110 PolarHBondContact O-N 3.16Å; D107-S110 VanDerWaalsContact O-CB 3.31Å; D107-S110 WeakPolarHBondContact O-CB 3.44Å; D107-S110 PolarHBondContact O-N 3.44Å; D107-S110 VanDerWaalsContact O-N 3.16Å; S108-S110 VanDerWaalsContact C-N 3.26Å; S108-S110 PolarHBondContact O-N 3.39Å; S110-Y112 VanDerWaalsContact C-N 3.3Å; S110-Y112 PolarHBondContact O-N 3.17Å; S110-L113 PolarHBondContact O-N 3.11Å; S110-L113 VanDerWaalsContact O-N 3.1Å; S110-E114 WeakPolarHBondContact O-CG 3.24Å; S110-E114 PolarHBondContact O-N 3.04Å; S110-E114 PolarHBondContact OG-OE1 2.87Å
111S96.4Very high97.4Very high55 Ų5544.5 Ų44.539%0.38524%0.235SC..Hα-helixtrans-62.3-35.2178.2-53.20000113D107 S108 L115D107-S111 PolarHBondContact O-N 2.95Å; S108-S111 WeakPolarHBondContact O-CB 3.33Å; S108-S111 PolarHBondContact O-N 3.23Å; S108-S111 VanDerWaalsContact O-N 3.13Å; S111-L115 WeakPolarHBondContact O-CB 3.49Å; S111-L115 PolarHBondContact O-N 3.12Å
112Y97.9Very high97.2Very high1 Ų149.2 Ų49.20%0.00426%0.256CS..Hα-helixtrans-65.9-44.8171.4-78-77.5000111.7L26 G27 D77 P81 S108 S109 S110 E114 L115 L116L26-Y112 HydrophobicContact CB-CD1 3.75Å; L26-Y112 HydrophobicContact CB-CE1 4.03Å; L26-Y112 HydrophobicContact CB-CG 4.14Å; L26-Y112 HydrophobicContact CD1-CD1 3.98Å; L26-Y112 HydrophobicContact CD2-CE1 4.49Å; L26-Y112 HydrophobicContact CG-CD1 4.32Å; G27-Y112 VanDerWaalsContact CA-CE2 3.46Å; D77-Y112 WeakPolarHBondContact CB-OH 3.35Å; D77-Y112 VanDerWaalsContact CG-OH 3.29Å; D77-Y112 VanDerWaalsContact OD2-CE1 3.31Å; D77-Y112 WeakPolarHBondContact OD2-CE1 3.39Å; D77-Y112 PolarHBondContact OD2-OH 2.82Å; P81-Y112 HydrophobicContact CB-CD1 4.25Å; P81-Y112 HydrophobicContact CB-CE1 3.86Å; P81-Y112 HydrophobicContact CG-CD1 3.78Å; P81-Y112 HydrophobicContact CG-CD2 4.42Å; P81-Y112 HydrophobicContact CG-CE1 3.61Å; P81-Y112 HydrophobicContact CG-CE2 4.24Å; P81-Y112 HydrophobicContact CG-CG 4.19Å; S108-Y112 VanDerWaalsContact O-CD2 3.27Å; S108-Y112 WeakPolarHBondContact O-CD2 3.32Å; S108-Y112 PolarHBondContact O-N 2.68Å; S109-Y112 PolarHBondContact O-N 3.33Å; S110-Y112 VanDerWaalsContact C-N 3.3Å; S110-Y112 PolarHBondContact O-N 3.17Å; Y112-E114 VanDerWaalsContact C-N 3.32Å; Y112-E114 PolarHBondContact O-N 2.97Å; Y112-L115 WeakPolarHBondContact O-CB 3.49Å; Y112-L115 PolarHBondContact O-N 3.25Å; Y112-L116 VanDerWaalsContact O-CG 3.32Å; Y112-L116 WeakPolarHBondContact O-CG 3.26Å; Y112-L116 PolarHBondContact O-N 2.91Å
113L98.1Very high97Very high4 Ų450.7 Ų50.72%0.02126%0.264CS..Hα-helixtrans-63.4-38177.6-67.4171.7000112.2V96 S109 S110 L116 A117 A129 L131 L152 F156V96-L113 HydrophobicContact CB-CD2 4.34Å; V96-L113 HydrophobicContact CG1-CG 4.44Å; V96-L113 HydrophobicContact CG2-CD2 3.89Å; S109-L113 WeakPolarHBondContact O-CG 3.42Å; S109-L113 PolarHBondContact O-N 2.84Å; S110-L113 PolarHBondContact O-N 3.11Å; S110-L113 VanDerWaalsContact O-N 3.1Å; L113-L116 PolarHBondContact O-N 3.42Å; L113-A117 WeakPolarHBondContact O-CB 3.36Å; L113-A117 PolarHBondContact O-N 3.21Å; L113-A129 HydrophobicContact CD2-CB 4.3Å; L113-L131 HydrophobicContact CD1-CD1 4.28Å; L113-L152 HydrophobicContact CD1-CD2 4.26Å; L113-L152 HydrophobicContact CD1-CG 4.06Å; L113-F156 HydrophobicContact CB-CB 4.3Å; L113-F156 HydrophobicContact CB-CD1 3.79Å; L113-F156 HydrophobicContact CB-CD2 3.68Å; L113-F156 HydrophobicContact CB-CE1 4Å; L113-F156 HydrophobicContact CB-CE2 3.89Å; L113-F156 HydrophobicContact CB-CG 3.64Å; L113-F156 HydrophobicContact CB-CZ 4.07Å; L113-F156 HydrophobicContact CD1-CB 4.37Å; L113-F156 HydrophobicContact CD1-CD2 3.63Å; L113-F156 HydrophobicContact CD1-CE2 4.21Å; L113-F156 HydrophobicContact CD1-CG 4.11Å; L113-F156 HydrophobicContact CG-CD2 4.26Å; L113-F156 HydrophobicContact CG-CG 4.37Å
114E97.3Very high96.6Very high96 Ų9655.3 Ų55.345%0.44929%0.288SS..Hα-helixtrans-61.4-45.1173.6-72.1168.8-166.700111.8S110 Y112 A117 L118 F156S110-E114 WeakPolarHBondContact O-CG 3.24Å; S110-E114 PolarHBondContact O-N 3.04Å; S110-E114 PolarHBondContact OG-OE1 2.87Å; Y112-E114 VanDerWaalsContact C-N 3.32Å; Y112-E114 PolarHBondContact O-N 2.97Å; E114-A117 PolarHBondContact O-N 2.84Å; E114-L118 WeakPolarHBondContact O-CB 3.18Å; E114-L118 PolarHBondContact O-N 2.76Å; E114-F156 HydrophobicContact CB-CE1 4.4Å; E114-F156 HydrophobicContact CG-CE1 3.73Å; E114-F156 HydrophobicContact CG-CZ 3.48Å; E114-F156 VanDerWaalsContact CG-CZ 3.48Å
115L96.8Very high96.2Very high37 Ų3754.4 Ų54.419%0.19428%0.28CS..Hα-helixtrans-59.6-46.9175172.870.5000111.7P81 C84 Y87 L88 S111 Y112 A117 L118 H119P81-L115 HydrophobicContact CB-CD2 3.68Å; P81-L115 HydrophobicContact CG-CD2 4.21Å; C84-L115 HydrophobicContact CB-CD1 4.36Å; C84-L115 HydrophobicContact CB-CD2 3.82Å; C84-L115 VanDerWaalsContact SG-CD2 3.5Å; Y87-L115 HydrophobicContact CE2-CD2 4.28Å; L88-L115 HydrophobicContact CD1-CD1 4.26Å; L88-L115 HydrophobicContact CD1-CG 4.41Å; L88-L115 HydrophobicContact CD2-CG 4.47Å; S111-L115 WeakPolarHBondContact O-CB 3.49Å; S111-L115 PolarHBondContact O-N 3.12Å; Y112-L115 WeakPolarHBondContact O-CB 3.49Å; Y112-L115 PolarHBondContact O-N 3.25Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 3.33Å; L115-L118 PolarHBondContact O-N 2.93Å; L115-H119 WeakPolarHBondContact O-CB 3.31Å; L115-H119 PolarHBondContact O-N 2.82Å
116L97.8Very high95.8Very high18 Ų1858 Ų589%0.09431%0.306CS..Hα-helixtrans-61.2-43.4177.5-65.4-176.6000111.3L26 L88 F94 V96 Y112 L113 H119 A120 A129L26-L116 HydrophobicContact CD1-CD1 4.39Å; L26-L116 HydrophobicContact CD1-CD2 4.1Å; L26-L116 HydrophobicContact CD1-CG 4.49Å; L88-L116 HydrophobicContact CD2-CD2 3.53Å; F94-L116 HydrophobicContact CB-CD1 3.76Å; F94-L116 HydrophobicContact CD1-CD1 4.42Å; F94-L116 HydrophobicContact CD1-CD2 4.01Å; F94-L116 HydrophobicContact CD2-CD1 3.69Å; F94-L116 HydrophobicContact CD2-CD2 3.66Å; F94-L116 HydrophobicContact CD2-CG 4.27Å; F94-L116 HydrophobicContact CE1-CD2 3.91Å; F94-L116 HydrophobicContact CE2-CD1 4.4Å; F94-L116 HydrophobicContact CE2-CD2 3.53Å; F94-L116 HydrophobicContact CG-CD1 3.7Å; F94-L116 HydrophobicContact CG-CD2 3.9Å; F94-L116 HydrophobicContact CG-CG 4.47Å; F94-L116 HydrophobicContact CZ-CD2 3.67Å; V96-L116 HydrophobicContact CG2-CD1 3.98Å; Y112-L116 VanDerWaalsContact O-CG 3.32Å; Y112-L116 WeakPolarHBondContact O-CG 3.26Å; Y112-L116 PolarHBondContact O-N 2.91Å; L113-L116 PolarHBondContact O-N 3.42Å; L116-H119 PolarHBondContact O-N 2.94Å; L116-A120 WeakPolarHBondContact O-CB 3.49Å; L116-A120 PolarHBondContact O-N 2.74Å; L116-A129 HydrophobicContact CD1-CB 4.07Å
117A97.3Very high95.7Very high34 Ų3458.5 Ų58.528%0.28131%0.31SS..Hα-helixtrans-66.8-38.9179.300000112.7L113 E114 L115 K121 F156L113-A117 WeakPolarHBondContact O-CB 3.36Å; L113-A117 PolarHBondContact O-N 3.21Å; E114-A117 PolarHBondContact O-N 2.84Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 3.33Å; A117-K121 WeakPolarHBondContact O-CG 3.3Å; A117-K121 PolarHBondContact O-N 2.55Å; A117-F156 HydrophobicContact CB-CD1 4.21Å; A117-F156 HydrophobicContact CB-CE1 4.45Å
118L96.7Very high95.8Very high94 Ų9455.3 Ų55.349%0.49229%0.294SS..Hα-helixtrans-61.6-50.6173.7-172.896.6000110.2E114 L115 A120 K121 E122E114-L118 WeakPolarHBondContact O-CB 3.18Å; E114-L118 PolarHBondContact O-N 2.76Å; L115-L118 PolarHBondContact O-N 2.93Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 2.81Å; L118-K121 WeakPolarHBondContact O-CB 3.48Å; L118-K121 PolarHBondContact O-N 3.14Å; L118-K121 VanDerWaalsContact O-N 3.11Å; L118-E122 WeakPolarHBondContact CD2-OE1 3.45Å; L118-E122 WeakPolarHBondContact O-CG 3.47Å; L118-E122 PolarHBondContact O-N 2.99Å
119H96.4Very high95.8Very high25 Ų2555 Ų5512%0.11629%0.293CS..Hα-helixtrans-61.4-40.4-179-17469.2000112.5L88 N89 L115 L116 K121 E122 T123L88-H119 HydrophobicContact CD1-CB 4.21Å; L88-H119 HydrophobicContact CD2-CB 4.03Å; N89-H119 PolarHBondContact OD1-CE1 3.36Å; N89-H119 PolarHBondContact OD1-NE2 3.12Å; L115-H119 WeakPolarHBondContact O-CB 3.31Å; L115-H119 PolarHBondContact O-N 2.82Å; L116-H119 PolarHBondContact O-N 2.94Å; H119-K121 VanDerWaalsContact C-N 3.3Å; H119-K121 PolarHBondContact O-N 3.4Å; H119-E122 PolarHBondContact O-N 3.08Å; H119-T123 WeakPolarHBondContact CE1-CG2 3.12Å; H119-T123 WeakPolarHBondContact O-CB 3.12Å; H119-T123 PolarHBondContact O-N 3.45Å; H119-T123 PolarHBondContact O-OG1 3.45Å
120A95.5Very high95.9Very high31 Ų3155 Ų5526%0.25629%0.293SS..Hα-helixtrans-61.9-37.917600000112.2L116 L118 Q124 R125L116-A120 WeakPolarHBondContact O-CB 3.49Å; L116-A120 PolarHBondContact O-N 2.74Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 2.81Å; A120-Q124 VanDerWaalsContact O-CA 3.27Å; A120-Q124 WeakPolarHBondContact O-CA 3.34Å; A120-Q124 PolarHBondContact O-N 3.43Å; A120-R125 WeakPolarHBondContact CA-O 3.44Å; A120-R125 WeakPolarHBondContact CB-O 3.26Å
121K95.5Very high96Very high157 Ų15754.3 Ų54.368%0.68329%0.288SS*.Hα-helixtrans-67.8-42.4175.3-71172-176.9179.20112.1A117 L118 H119 Q124A117-K121 WeakPolarHBondContact O-CG 3.3Å; A117-K121 PolarHBondContact O-N 2.55Å; L118-K121 WeakPolarHBondContact O-CB 3.48Å; L118-K121 PolarHBondContact O-N 3.14Å; L118-K121 VanDerWaalsContact O-N 3.11Å; H119-K121 VanDerWaalsContact C-N 3.3Å; H119-K121 PolarHBondContact O-N 3.4Å; K121-Q124 PolarHBondContact O-NE2 3.17Å
122E95.4Very high96.1Very high133 Ų13351.7 Ų51.762%0.62127%0.269SS*.Hα-helixtrans-69.2-40.3-178.2-71.2173.7171.400112.4L118 H119L118-E122 WeakPolarHBondContact CD2-OE1 3.45Å; L118-E122 WeakPolarHBondContact O-CG 3.47Å; L118-E122 PolarHBondContact O-N 2.99Å; H119-E122 PolarHBondContact O-N 3.08Å
123T93.8Very high96.1Very high62 Ų6251.6 Ų51.638%0.3827%0.269SS..Hα-helixtrans-97.3-8.3-174.460.60000114.1H119 R125H119-T123 WeakPolarHBondContact CE1-CG2 3.12Å; H119-T123 WeakPolarHBondContact O-CB 3.12Å; H119-T123 PolarHBondContact O-N 3.45Å; H119-T123 PolarHBondContact O-OG1 3.45Å; T123-R125 PolarHBondContact O-N 2.81Å; T123-R125 VanDerWaalsContact O-N 3.12Å; T123-R125 WeakPolarHBondContact OG1-CB 3.01Å; T123-R125 PolarHBondContact OG1-N 2.92Å
124Q90.6Very high96.2Very high166 Ų16651.5 Ų51.578%0.77627%0.269SS*.  trans5522.9-169.9-58.4-65.8-53.800113A120 K121A120-Q124 VanDerWaalsContact O-CA 3.27Å; A120-Q124 WeakPolarHBondContact O-CA 3.34Å; A120-Q124 PolarHBondContact O-N 3.43Å; K121-Q124 PolarHBondContact O-NE2 3.17Å
125R88.4Confident96.2Very high87 Ų8749.7 Ų49.733%0.32826%0.259SS..  trans-104.6108.2177.2-174.7-175.4169.7175.3-5.5109.2N89 A91 A120 T123 V127N89-R125 PolarHBondContact O-NH1 3.15Å; A91-R125 PolarHBondContact O-NH2 2.84Å; A120-R125 WeakPolarHBondContact CA-O 3.44Å; A120-R125 WeakPolarHBondContact CB-O 3.26Å; T123-R125 PolarHBondContact O-N 2.81Å; T123-R125 VanDerWaalsContact O-N 3.12Å; T123-R125 WeakPolarHBondContact OG1-CB 3.01Å; T123-R125 PolarHBondContact OG1-N 2.92Å; R125-V127 HydrophobicContact CG-CG2 3.9Å
126S89.8Confident96.3Very high79 Ų7950.6 Ų50.655%0.55226%0.264SS*.  trans-81.8118.1171.6-1740000109.4
127V97Very high96.3Very high28 Ų2852.2 Ų52.217%0.1727%0.273CS..  trans-119126174.3-177.50000107.4H92 F94 R125H92-V127 VanDerWaalsContact C-CG1 3.5Å; H92-V127 WeakPolarHBondContact O-CG1 3.41Å; F94-V127 HydrophobicContact CD2-CB 4.16Å; F94-V127 HydrophobicContact CD2-CG1 3.63Å; F94-V127 HydrophobicContact CE2-CB 3.73Å; F94-V127 HydrophobicContact CE2-CG1 3.4Å; F94-V127 VanDerWaalsContact CE2-CG1 3.4Å; F94-V127 HydrophobicContact CE2-CG2 4.43Å; F94-V127 HydrophobicContact CZ-CG1 4.35Å; R125-V127 HydrophobicContact CG-CG2 3.9Å
128P98.1Very high96.3Very high18 Ų1853.9 Ų53.912%0.11728%0.275CS..  trans-69.1146.3-174.228.6-29.7000110.5H92 A93 F94 E182 E186H92-P128 VanDerWaalsContact O-CD 3.27Å; H92-P128 WeakPolarHBondContact O-CD 3.36Å; A93-P128 CarbonylContact C-O 3.55Å; A93-P128 WeakPolarHBondContact CA-O 3.34Å; A93-P128 HydrophobicContact CB-CG 3.87Å; F94-P128 PolarHBondContact N-O 2.87Å; P128-E182 HydrophobicContact CB-CB 3.7Å; P128-E182 HydrophobicContact CG-CB 3.75Å; P128-E186 HydrophobicContact CG-CG 4.13Å
129A98.6Very high96.3Very high15 Ų1551.6 Ų51.612%0.12427%0.27CS..EExtended strand (participates in β ladder)trans-124.2145.7176.500000110.5F94 L113 L116 C158 L159F94-A129 HydrophobicContact CB-CB 4.25Å; F94-A129 CarbonylContact O-C 3.56Å; F94-A129 WeakPolarHBondContact O-CA 3.43Å; L113-A129 HydrophobicContact CD2-CB 4.3Å; L116-A129 HydrophobicContact CD1-CB 4.07Å; A129-C158 HydrophobicContact CB-CB 4Å; A129-C158 VanDerWaalsContact O-CB 3.26Å; A129-C158 WeakPolarHBondContact O-CB 3.4Å; A129-L159 PolarHBondContact O-N 3.13Å
130L98.9Very high96.4Very high0 Ų057.5 Ų57.50%030%0.298CS..EExtended strand (participates in β ladder)trans-119.6123.7169.3-72.966.4000107.7F94 L95 V96 L132 L159 F161 V175 E178 A179F94-L130 PolarHBondContact O-N 3.39Å; L95-L130 HydrophobicContact CD2-CB 3.78Å; L95-L130 HydrophobicContact CD2-CD2 3.93Å; L95-L130 HydrophobicContact CD2-CG 4.28Å; V96-L130 PolarHBondContact N-O 2.94Å; L130-L132 HydrophobicContact CB-CD2 4.28Å; L130-L159 CarbonylContact C-O 3.52Å; L130-L159 HydrophobicContact CD1-CD1 4.33Å; L130-L159 HydrophobicContact CG-CB 4.01Å; L130-L159 HydrophobicContact CG-CD1 4.21Å; L130-F161 HydrophobicContact CD2-CD2 4.2Å; L130-F161 HydrophobicContact CD2-CE2 3.91Å; L130-F161 HydrophobicContact CG-CE2 4.36Å; L130-V175 WeakPolarHBondContact CD2-O 3.41Å; L130-E178 HydrophobicContact CD2-CB 4.06Å; L130-E178 HydrophobicContact CD2-CG 4.31Å; L130-A179 HydrophobicContact CD1-CB 4Å; L130-A179 HydrophobicContact CD2-CB 4.1Å
131L98.9Very high96.5Very high0 Ų062.7 Ų62.70%031%0.312CS..EExtended strand (participates in β ladder)trans-85.9124170.6-179.665.6000109.5V96 Y98 L113 L152 A153 L159 F160 F161V96-L131 HydrophobicContact CB-CD1 4.38Å; V96-L131 HydrophobicContact CG1-CD1 4.32Å; V96-L131 CarbonylContact O-C 3.57Å; V96-L131 WeakPolarHBondContact O-CA 3.45Å; Y98-L131 HydrophobicContact CD1-CD1 3.71Å; Y98-L131 HydrophobicContact CD1-CG 4.18Å; Y98-L131 HydrophobicContact CE1-CD1 3.96Å; Y98-L131 HydrophobicContact CE1-CD2 4.16Å; Y98-L131 HydrophobicContact CE1-CG 3.89Å; L113-L131 HydrophobicContact CD1-CD1 4.28Å; L131-L152 HydrophobicContact CD2-CB 4.1Å; L131-L152 HydrophobicContact CD2-CD2 3.87Å; L131-L152 HydrophobicContact CD2-CG 4.04Å; L131-A153 HydrophobicContact CB-CB 4.45Å; L131-A153 HydrophobicContact CD2-CB 4.16Å; L131-L159 PolarHBondContact N-O 2.91Å; L131-F160 HydrophobicContact CB-CD2 4.11Å; L131-F160 HydrophobicContact CD2-CD2 3.93Å; L131-F160 HydrophobicContact CD2-CE2 4.39Å; L131-F160 HydrophobicContact CG-CD2 3.93Å; L131-F160 HydrophobicContact CG-CE2 4.4Å; L131-F160 WeakPolarHBondContact O-CA 3.29Å; L131-F160 VanDerWaalsContact O-CD2 3.32Å; L131-F160 WeakPolarHBondContact O-CD2 2.86Å; L131-F161 PolarHBondContact O-N 3.16Å
132L98.9Very high96.7Very high0 Ų058.5 Ų58.50%029%0.292CS..EExtended strand (participates in β ladder)trans-115.8114.1-176.9-55.5-173.1000111.1L36 L95 V96 V97 Y98 L130 N134 F161 V163 V175L36-L132 HydrophobicContact CD1-CD1 4.34Å; L95-L132 HydrophobicContact CB-CD1 4.11Å; L95-L132 HydrophobicContact CD1-CD1 4.28Å; L95-L132 HydrophobicContact CD2-CD1 4.14Å; L95-L132 HydrophobicContact CG-CD1 4.41Å; V96-L132 PolarHBondContact O-N 3.4Å; V97-L132 HydrophobicContact CG2-CB 4.37Å; V97-L132 HydrophobicContact CG2-CD1 4.28Å; Y98-L132 WeakPolarHBondContact CD1-O 3.44Å; Y98-L132 PolarHBondContact N-O 2.83Å; L130-L132 HydrophobicContact CB-CD2 4.28Å; L132-N134 PolarHBondContact O-N 2.98Å; L132-F161 CarbonylContact C-O 3.59Å; L132-F161 WeakPolarHBondContact CA-O 3.34Å; L132-F161 HydrophobicContact CD2-CB 3.91Å; L132-F161 HydrophobicContact CD2-CD2 4.17Å; L132-V163 HydrophobicContact CB-CG2 4.31Å; L132-V175 HydrophobicContact CD1-CG2 4.15Å; L132-V175 HydrophobicContact CD2-CB 4.1Å; L132-V175 HydrophobicContact CD2-CG1 4.14Å; L132-V175 HydrophobicContact CD2-CG2 4.39Å
133G98.8Very high96.9Very high0 Ų057.4 Ų57.40%029%0.286CS..EExtended strand (participates in β ladder)trans-82.89216700000110.5Y98 F161 E162 V163Y98-G133 VanDerWaalsContact CE1-CA 3.49Å; Y98-G133 VanDerWaalsContact CZ-CA 3.45Å; G133-F161 PolarHBondContact N-O 2.48Å; G133-E162 CarbonylContact O-C 3.56Å; G133-E162 VanDerWaalsContact O-CA 3.24Å; G133-E162 WeakPolarHBondContact O-CA 3.33Å; G133-V163 PolarHBondContact O-N 2.86Å
134N98.8Very high97.1Very high2 Ų254.4 Ų54.41%0.01127%0.268CS..EExtended strand (participates in β ladder)trans-80.9169.5-177.8-168.127.2000112.6A31 L36 V97 Y98 V100 L132 V163 A165A31-N134 PolarHBondContact O-ND2 3.49Å; L36-N134 HydrophobicContact CD1-CB 4.28Å; V97-N134 HydrophobicContact CG1-CB 3.77Å; Y98-N134 WeakPolarHBondContact O-CA 3.36Å; Y98-N134 VanDerWaalsContact O-CB 3.27Å; Y98-N134 WeakPolarHBondContact O-CB 3.34Å; Y98-N134 PolarHBondContact O-N 2.77Å; V100-N134 WeakPolarHBondContact CG1-O 3.41Å; V100-N134 WeakPolarHBondContact CG2-O 3.39Å; V100-N134 PolarHBondContact N-O 3.21Å; L132-N134 PolarHBondContact O-N 2.98Å; N134-V163 CarbonylContact C-O 3.54Å; N134-V163 VanDerWaalsContact CA-O 3.27Å; N134-V163 WeakPolarHBondContact CA-O 3.07Å; N134-V163 HydrophobicContact CB-CG2 4.29Å; N134-V163 PolarHBondContact OD1-O 2.96Å; N134-A165 PolarHBondContact OD1-N 3.39Å
135K98.5Very high97.5Very high58 Ų5849.7 Ų49.725%0.25225%0.251SS..  trans62.640.3-177-48.4-166.6-154.4157.60113G30 S99 V100 D101 D137 M138 V163G30-K135 WeakPolarHBondContact O-CE 3.23Å; G30-K135 PolarHBondContact O-NZ 3.34Å; S99-K135 WeakPolarHBondContact OG-CD 3.38Å; S99-K135 WeakPolarHBondContact OG-CE 3.38Å; S99-K135 VanDerWaalsContact OG-CG 3.32Å; S99-K135 WeakPolarHBondContact OG-CG 3.45Å; S99-K135 PolarHBondContact OG-NZ 2.92Å; V100-K135 VanDerWaalsContact CG2-O 3.23Å; V100-K135 WeakPolarHBondContact CG2-O 3.47Å; D101-K135 IonicContact OD1-NZ 3.56Å; D101-K135 IonicContact OD2-NZ 2.84Å; K135-D137 VanDerWaalsContact C-OD1 3.3Å; K135-D137 VanDerWaalsContact CA-OD1 3.3Å; K135-D137 WeakPolarHBondContact CA-OD1 3.03Å; K135-D137 PolarHBondContact O-N 2.87Å; K135-D137 VanDerWaalsContact O-N 3.13Å; K135-M138 HydrophobicContact CB-CB 4.34Å; K135-M138 HydrophobicContact CB-CG 4.28Å; K135-M138 WeakPolarHBondContact O-CA 3.32Å; K135-M138 WeakPolarHBondContact O-CB 3.27Å; K135-M138 PolarHBondContact O-N 2.89Å; K135-V163 PolarHBondContact N-O 3.39Å; K135-V163 VanDerWaalsContact N-O 3.08Å
136L98.5Very high98Very high55 Ų5551.8 Ų51.829%0.28826%0.262SS..G310 helixtrans-55.5-27.4175.4-178.658.9000113.1M138 A139 R142 E162 V163L136-M138 PolarHBondContact O-N 3.31Å; L136-A139 VanDerWaalsContact O-CB 3.29Å; L136-A139 WeakPolarHBondContact O-CB 3.49Å; L136-A139 PolarHBondContact O-N 2.9Å; L136-A139 VanDerWaalsContact O-N 3.12Å; L136-R142 VanDerWaalsContact CD1-NH2 3.33Å; L136-E162 HydrophobicContact CD1-CB 4.19Å; L136-E162 WeakPolarHBondContact CD1-OE2 3.4Å; L136-E162 HydrophobicContact CD2-CB 4.15Å; L136-V163 VanDerWaalsContact CB-O 3.32Å; L136-V163 WeakPolarHBondContact CB-O 3.49Å; L136-V163 PolarHBondContact N-O 2.99Å
137D98.4Very high98.4Very high53 Ų5351.4 Ų51.428%0.28326%0.264SS..G310 helixtrans-59.2-24.9170.955.8-69.4000113.5K135 A139 S164 C166 L167K135-D137 VanDerWaalsContact C-OD1 3.3Å; K135-D137 VanDerWaalsContact CA-OD1 3.3Å; K135-D137 WeakPolarHBondContact CA-OD1 3.03Å; K135-D137 PolarHBondContact O-N 2.87Å; K135-D137 VanDerWaalsContact O-N 3.13Å; D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact O-N 2.85Å; D137-S164 VanDerWaalsContact OD1-CB 3.23Å; D137-S164 WeakPolarHBondContact OD1-CB 3.06Å; D137-S164 PolarHBondContact OD1-OG 2.66Å; D137-C166 PolarHBondContact OD1-SG 2.83Å; D137-C166 PolarHBondContact OD2-SG 3.43Å; D137-L167 HydrophobicContact CB-CD1 4.24Å; D137-L167 HydrophobicContact CB-CD2 4.13Å; D137-L167 HydrophobicContact CB-CG 4.08Å
138M97.6Very high98.5Very high68 Ų6853.1 Ų53.134%0.33527%0.27SS..G310 helixtrans-91.622.2176.2-61.9-65.4168.700112.9D101 K135 L136 Q140 Y141D101-M138 HydrophobicContact CB-CB 4.27Å; K135-M138 HydrophobicContact CB-CB 4.34Å; K135-M138 HydrophobicContact CB-CG 4.28Å; K135-M138 WeakPolarHBondContact O-CA 3.32Å; K135-M138 WeakPolarHBondContact O-CB 3.27Å; K135-M138 PolarHBondContact O-N 2.89Å; L136-M138 PolarHBondContact O-N 3.31Å; M138-Q140 PolarHBondContact O-N 2.79Å; M138-Y141 HydrophobicContact CB-CD2 4.43Å; M138-Y141 PolarHBondContact O-N 3.4Å; M138-Y141 HydrophobicContact SD-CD2 3.94Å; M138-Y141 HydrophobicContact SD-CE2 4.15Å
139A96.7Very high98.5Very high46 Ų4652.2 Ų52.238%0.3826%0.264SS..G310 helixtrans-55.4-25-178.300000114.5L136 D137 Y141 R142L136-A139 VanDerWaalsContact O-CB 3.29Å; L136-A139 WeakPolarHBondContact O-CB 3.49Å; L136-A139 PolarHBondContact O-N 2.9Å; L136-A139 VanDerWaalsContact O-N 3.12Å; D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact O-N 2.85Å; A139-Y141 VanDerWaalsContact C-N 3.27Å; A139-Y141 PolarHBondContact O-N 3.47Å; A139-R142 WeakPolarHBondContact O-CB 3.45Å; A139-R142 PolarHBondContact O-N 3.2Å
140Q98.2Very high98.5Very high149 Ų14955.2 Ų55.270%0.69628%0.281SS*.G310 helixtrans-66.4-25.2173.866.2-177.2-39.500113.7M138M138-Q140 PolarHBondContact O-N 2.79Å
141Y98.2Very high98.5Very high141 Ų14158 Ų5855%0.55330%0.304SS*.G310 helixtrans-105.719.1178.6-52.9-62.7000112M138 A139 Q143M138-Y141 HydrophobicContact CB-CD2 4.43Å; M138-Y141 PolarHBondContact O-N 3.4Å; M138-Y141 HydrophobicContact SD-CD2 3.94Å; M138-Y141 HydrophobicContact SD-CE2 4.15Å; A139-Y141 VanDerWaalsContact C-N 3.27Å; A139-Y141 PolarHBondContact O-N 3.47Å; Y141-Q143 PolarHBondContact O-N 3.3Å
142R98.6Very high98.5Very high69 Ų6958.4 Ų58.426%0.2631%0.306SS..  trans-60.4129.4-173.2179.3178.6-73.3-94.413111.6L136 A139 V144 E162L136-R142 VanDerWaalsContact CD1-NH2 3.33Å; A139-R142 WeakPolarHBondContact O-CB 3.45Å; A139-R142 PolarHBondContact O-N 3.2Å; R142-V144 WeakPolarHBondContact CD-O 3.43Å; R142-V144 WeakPolarHBondContact CG-O 3.41Å; R142-V144 PolarHBondContact NH1-O 3.4Å; R142-E162 IonicContact CZ-OE1 3.42Å; R142-E162 IonicContact CZ-OE2 2.73Å; R142-E162 IonicContact NH1-OE1 2.74Å; R142-E162 PolarHBondContact NH1-OE1 3.23Å; R142-E162 IonicContact NH1-OE2 3.69Å; R142-E162 IonicContact NH2-OE1 3.61Å; R142-E162 PolarHBondContact NH2-OE1 3.27Å; R142-E162 IonicContact NH2-OE2 3.83Å; R142-E162 PolarHBondContact NH2-OE2 3Å
143Q98.8Very high98.5Very high109 Ų10958.5 Ų58.551%0.50931%0.307SS..SBendtrans-105.6-18.3172.2-62.6-175.48.100112.4V100 D101 R103 Y141V100-Q143 PolarHBondContact O-N 3.19Å; D101-Q143 WeakPolarHBondContact O-CG 3.32Å; D101-Q143 PolarHBondContact O-NE2 2.82Å; R103-Q143 HydrophobicContact CB-CB 4.39Å; R103-Q143 PolarHBondContact NH2-O 3.35Å; Y141-Q143 PolarHBondContact O-N 3.3Å
144V98.8Very high98.5Very high0 Ų061.4 Ų61.40%034%0.337CS..SBendtrans-126.4121.8-178-171.10000109.7Y98 V100 F106 R142 E148Y98-V144 HydrophobicContact CE2-CB 4.11Å; Y98-V144 HydrophobicContact CE2-CG1 3.98Å; Y98-V144 HydrophobicContact CE2-CG2 4.48Å; V100-V144 PolarHBondContact O-N 3.14Å; V100-V144 VanDerWaalsContact O-N 3.1Å; F106-V144 HydrophobicContact CB-CG1 4.33Å; F106-V144 HydrophobicContact CB-CG2 3.72Å; F106-V144 HydrophobicContact CD1-CG1 4.08Å; F106-V144 HydrophobicContact CD1-CG2 4.44Å; F106-V144 HydrophobicContact CD2-CG1 3.67Å; F106-V144 HydrophobicContact CE1-CG1 4.24Å; F106-V144 HydrophobicContact CE2-CG1 3.84Å; F106-V144 HydrophobicContact CG-CG1 3.76Å; F106-V144 HydrophobicContact CG-CG2 4.03Å; F106-V144 HydrophobicContact CZ-CG1 4.1Å; R142-V144 WeakPolarHBondContact CD-O 3.43Å; R142-V144 WeakPolarHBondContact CG-O 3.41Å; R142-V144 PolarHBondContact NH1-O 3.4Å; V144-E148 HydrophobicContact CG1-CB 3.99Å
145T98.8Very high98.5Very high67 Ų6769.4 Ų69.441%0.41137%0.367SS..  trans-76.5155.618065.30000111.8A147 E148 G149T145-A147 PolarHBondContact O-N 3.29Å; T145-E148 PolarHBondContact N-OE2 2.61Å; T145-E148 PolarHBondContact O-N 3.43Å; T145-E148 VanDerWaalsContact O-N 3.13Å; T145-E148 VanDerWaalsContact OG1-CG 3.27Å; T145-E148 WeakPolarHBondContact OG1-CG 3.44Å; T145-E148 PolarHBondContact OG1-N 2.68Å; T145-E148 PolarHBondContact OG1-OE2 2.73Å; T145-G149 PolarHBondContact O-N 3.1Å
146K98.7Very high98.5Very high130 Ų13069.3 Ų69.357%0.56537%0.366SS*.Hα-helixtrans-56.1-37.3172.9-169.7179.8179.6173.40111.9E148 G149 V150 F160K146-E148 VanDerWaalsContact C-N 3.35Å; K146-E148 PolarHBondContact O-N 2.86Å; K146-G149 PolarHBondContact O-N 3.06Å; K146-V150 WeakPolarHBondContact O-CG2 3.48Å; K146-V150 PolarHBondContact O-N 3.35Å; K146-F160 HydrophobicContact CG-CE1 3.85Å
147A98.8Very high98.4Very high71 Ų7170.1 Ų70.159%0.58739%0.388SS*.Hα-helixtrans-62.5-40.1178.500000112.2T145 V150 A151T145-A147 PolarHBondContact O-N 3.29Å; A147-V150 PolarHBondContact O-N 2.86Å; A147-A151 WeakPolarHBondContact O-CB 3.37Å; A147-A151 PolarHBondContact O-N 3.35Å
148E98.8Very high98.4Very high64 Ų6468.6 Ų68.630%0.29938%0.381SS..Hα-helixtrans-65.9-40.3174.9-69.7169.794.900112.1R103 F106 V144 T145 K146 A151 L152R103-E148 IonicContact CZ-OE1 3.28Å; R103-E148 IonicContact NH1-OE1 3.61Å; R103-E148 PolarHBondContact NH1-OE1 3.1Å; R103-E148 VanDerWaalsContact NH2-CD 3.26Å; R103-E148 IonicContact NH2-OE1 2.71Å; R103-E148 PolarHBondContact NH2-OE1 2.83Å; R103-E148 IonicContact NH2-OE2 3.72Å; R103-E148 PolarHBondContact NH2-OE2 3.37Å; R103-E148 VanDerWaalsContact NH2-OE2 3.14Å; F106-E148 HydrophobicContact CZ-CB 4.07Å; V144-E148 HydrophobicContact CG1-CB 3.99Å; T145-E148 PolarHBondContact N-OE2 2.61Å; T145-E148 PolarHBondContact O-N 3.43Å; T145-E148 VanDerWaalsContact O-N 3.13Å; T145-E148 VanDerWaalsContact OG1-CG 3.27Å; T145-E148 WeakPolarHBondContact OG1-CG 3.44Å; T145-E148 PolarHBondContact OG1-N 2.68Å; T145-E148 PolarHBondContact OG1-OE2 2.73Å; K146-E148 VanDerWaalsContact C-N 3.35Å; K146-E148 PolarHBondContact O-N 2.86Å; E148-A151 PolarHBondContact O-N 3.24Å; E148-L152 WeakPolarHBondContact O-CB 3.21Å; E148-L152 PolarHBondContact O-N 3.26Å
149G98.8Very high98.5Very high0 Ų068.4 Ų68.40%038%0.381CS..Hα-helixtrans-59.2-48.2172.900000112.9T145 K146 A151 L152 A153T145-G149 PolarHBondContact O-N 3.1Å; K146-G149 PolarHBondContact O-N 3.06Å; G149-A151 PolarHBondContact O-N 3.31Å; G149-L152 PolarHBondContact O-N 3.44Å; G149-A153 WeakPolarHBondContact O-CB 3.49Å; G149-A153 PolarHBondContact O-N 3.36Å
150V98.8Very high98.6Very high78 Ų7867.8 Ų67.847%0.47337%0.37SS..Hα-helixtrans-60.4-44.4175171.70000111.2K146 A147 A153 G154 F160K146-V150 WeakPolarHBondContact O-CG2 3.48Å; K146-V150 PolarHBondContact O-N 3.35Å; A147-V150 PolarHBondContact O-N 2.86Å; V150-A153 PolarHBondContact O-N 3.4Å; V150-G154 PolarHBondContact O-N 3.16Å; V150-F160 HydrophobicContact CB-CD1 4.43Å; V150-F160 HydrophobicContact CG2-CD1 3.52Å; V150-F160 HydrophobicContact CG2-CE1 3.87Å
151A98.9Very high98.6Very high59 Ų5963.2 Ų63.249%0.48835%0.348SS..Hα-helixtrans-63.8-42.7179.200000111.9A147 E148 G149 G154 R155A147-A151 WeakPolarHBondContact O-CB 3.37Å; A147-A151 PolarHBondContact O-N 3.35Å; E148-A151 PolarHBondContact O-N 3.24Å; G149-A151 PolarHBondContact O-N 3.31Å; A151-G154 PolarHBondContact O-N 2.88Å; A151-R155 WeakPolarHBondContact O-CG 3.37Å; A151-R155 PolarHBondContact O-N 3.07Å; A151-R155 VanDerWaalsContact O-N 3.1Å
152L98.8Very high98.6Very high7 Ų758.2 Ų58.24%0.03733%0.33CS..Hα-helixtrans-62.8-46.2175.6-178.161.9000111.1F106 L113 L131 E148 G149 G154 R155 F156F106-L152 HydrophobicContact CD2-CD2 4.02Å; F106-L152 HydrophobicContact CE1-CD2 4.31Å; F106-L152 HydrophobicContact CE2-CB 4.01Å; F106-L152 HydrophobicContact CE2-CD2 3.43Å; F106-L152 VanDerWaalsContact CE2-CD2 3.43Å; F106-L152 HydrophobicContact CE2-CG 4.35Å; F106-L152 HydrophobicContact CZ-CB 3.77Å; F106-L152 HydrophobicContact CZ-CD2 3.62Å; F106-L152 HydrophobicContact CZ-CG 4.27Å; L113-L152 HydrophobicContact CD1-CD2 4.26Å; L113-L152 HydrophobicContact CD1-CG 4.06Å; L131-L152 HydrophobicContact CD2-CB 4.1Å; L131-L152 HydrophobicContact CD2-CD2 3.87Å; L131-L152 HydrophobicContact CD2-CG 4.04Å; E148-L152 WeakPolarHBondContact O-CB 3.21Å; E148-L152 PolarHBondContact O-N 3.26Å; G149-L152 PolarHBondContact O-N 3.44Å; L152-G154 VanDerWaalsContact C-N 3.32Å; L152-G154 PolarHBondContact O-N 3.39Å; L152-R155 WeakPolarHBondContact O-CB 3.24Å; L152-R155 PolarHBondContact O-N 3.01Å; L152-F156 HydrophobicContact CD1-CD2 3.98Å; L152-F156 HydrophobicContact CD1-CE2 3.64Å; L152-F156 WeakPolarHBondContact O-CD2 3.38Å; L152-F156 PolarHBondContact O-N 3.37Å
153A98.8Very high98.6Very high3 Ų355.1 Ų55.13%0.02532%0.318CS..Hα-helixtrans-61.6-40.9178.200000112.4L131 G149 V150 R155 F156 G157 C158 F160L131-A153 HydrophobicContact CB-CB 4.45Å; L131-A153 HydrophobicContact CD2-CB 4.16Å; G149-A153 WeakPolarHBondContact O-CB 3.49Å; G149-A153 PolarHBondContact O-N 3.36Å; V150-A153 PolarHBondContact O-N 3.4Å; A153-R155 VanDerWaalsContact C-N 3.33Å; A153-R155 PolarHBondContact O-N 3.29Å; A153-F156 CarbonylContact O-C 3.58Å; A153-F156 PolarHBondContact O-N 3.01Å; A153-F156 VanDerWaalsContact O-N 3.16Å; A153-G157 PolarHBondContact O-N 3.45Å; A153-C158 VanDerWaalsContact CA-SG 3.52Å; A153-C158 WeakPolarHBondContact CB-O 3.45Å; A153-C158 PolarHBondContact O-N 2.93Å; A153-F160 HydrophobicContact CB-CB 3.66Å; A153-F160 HydrophobicContact CB-CG 4.42Å
154G98.7Very high98.6Very high60 Ų6050.2 Ų50.262%0.61930%0.296SS*.Hα-helixtrans-60.3-37.2174.400000113.6V150 A151 L152 F156 G157V150-G154 PolarHBondContact O-N 3.16Å; A151-G154 PolarHBondContact O-N 2.88Å; L152-G154 VanDerWaalsContact C-N 3.32Å; L152-G154 PolarHBondContact O-N 3.39Å; G154-F156 VanDerWaalsContact C-N 3.25Å; G154-F156 PolarHBondContact O-N 3.32Å; G154-G157 PolarHBondContact O-N 3.47Å
155R98.4Very high98.6Very high170 Ų17050.4 Ų50.464%0.64230%0.298SS*.Hα-helixtrans-62.3-31.6176.1-72.8168.759-158.2-5.8113.1A151 L152 A153A151-R155 WeakPolarHBondContact O-CG 3.37Å; A151-R155 PolarHBondContact O-N 3.07Å; A151-R155 VanDerWaalsContact O-N 3.1Å; L152-R155 WeakPolarHBondContact O-CB 3.24Å; L152-R155 PolarHBondContact O-N 3.01Å; A153-R155 VanDerWaalsContact C-N 3.33Å; A153-R155 PolarHBondContact O-N 3.29Å
156F98.1Very high98.5Very high56 Ų5649.5 Ų49.525%0.24629%0.294CS..Hα-helixtrans-105.10.6-178.8-68.3-79.6000113.6L113 E114 A117 L152 A153 G154 C158L113-F156 HydrophobicContact CB-CB 4.3Å; L113-F156 HydrophobicContact CB-CD1 3.79Å; L113-F156 HydrophobicContact CB-CD2 3.68Å; L113-F156 HydrophobicContact CB-CE1 4Å; L113-F156 HydrophobicContact CB-CE2 3.89Å; L113-F156 HydrophobicContact CB-CG 3.64Å; L113-F156 HydrophobicContact CB-CZ 4.07Å; L113-F156 HydrophobicContact CD1-CB 4.37Å; L113-F156 HydrophobicContact CD1-CD2 3.63Å; L113-F156 HydrophobicContact CD1-CE2 4.21Å; L113-F156 HydrophobicContact CD1-CG 4.11Å; L113-F156 HydrophobicContact CG-CD2 4.26Å; L113-F156 HydrophobicContact CG-CG 4.37Å; E114-F156 HydrophobicContact CB-CE1 4.4Å; E114-F156 HydrophobicContact CG-CE1 3.73Å; E114-F156 HydrophobicContact CG-CZ 3.48Å; E114-F156 VanDerWaalsContact CG-CZ 3.48Å; A117-F156 HydrophobicContact CB-CD1 4.21Å; A117-F156 HydrophobicContact CB-CE1 4.45Å; L152-F156 HydrophobicContact CD1-CD2 3.98Å; L152-F156 HydrophobicContact CD1-CE2 3.64Å; L152-F156 WeakPolarHBondContact O-CD2 3.38Å; L152-F156 PolarHBondContact O-N 3.37Å; A153-F156 CarbonylContact O-C 3.58Å; A153-F156 PolarHBondContact O-N 3.01Å; A153-F156 VanDerWaalsContact O-N 3.16Å; G154-F156 VanDerWaalsContact C-N 3.25Å; G154-F156 PolarHBondContact O-N 3.32Å; F156-C158 PolarHBondContact O-N 2.84Å
157G97.6Very high98.4Very high72 Ų7247.4 Ų47.474%0.74229%0.288SS*.THydrogen-bonded Turntrans62.529.1-177.900000113.6A153 G154A153-G157 PolarHBondContact O-N 3.45Å; G154-G157 PolarHBondContact O-N 3.47Å
158C98.1Very high98.2Very high21 Ų2149.1 Ų49.114%0.14229%0.288CS..  trans-103.3161.7-179.669.30000111.7A129 A153 F156A129-C158 HydrophobicContact CB-CB 4Å; A129-C158 VanDerWaalsContact O-CB 3.26Å; A129-C158 WeakPolarHBondContact O-CB 3.4Å; A153-C158 VanDerWaalsContact CA-SG 3.52Å; A153-C158 WeakPolarHBondContact CB-O 3.45Å; A153-C158 PolarHBondContact O-N 2.93Å; F156-C158 PolarHBondContact O-N 2.84Å
159L98.6Very high98.1Very high64 Ų6447.7 Ų47.734%0.33528%0.281SS..EExtended strand (participates in β ladder)trans-75.3156.5175.2-64.1178.4000110.5A129 L130 L131 F161 E178 E182A129-L159 PolarHBondContact O-N 3.13Å; L130-L159 CarbonylContact C-O 3.52Å; L130-L159 HydrophobicContact CD1-CD1 4.33Å; L130-L159 HydrophobicContact CG-CB 4.01Å; L130-L159 HydrophobicContact CG-CD1 4.21Å; L131-L159 PolarHBondContact N-O 2.91Å; L159-F161 HydrophobicContact CB-CE2 3.97Å; L159-F161 HydrophobicContact CD1-CE2 4.37Å; L159-E178 HydrophobicContact CD1-CG 4.04Å; L159-E182 HydrophobicContact CD1-CG 3.79Å
160F98.9Very high98.1Very high33 Ų3354.6 Ų54.615%0.14531%0.313CS..EExtended strand (participates in β ladder)trans-133.6133.6179.6176.6-112.8000112.9Y98 L131 K146 V150 A153 E162Y98-F160 AromaticContact CE1-CE2 3.96Å; Y98-F160 HydrophobicContact CE1-CE2 3.96Å; Y98-F160 WeakPolarHBondContact OH-CE2 3.34Å; Y98-F160 WeakPolarHBondContact OH-CZ 3.44Å; L131-F160 HydrophobicContact CB-CD2 4.11Å; L131-F160 HydrophobicContact CD2-CD2 3.93Å; L131-F160 HydrophobicContact CD2-CE2 4.39Å; L131-F160 HydrophobicContact CG-CD2 3.93Å; L131-F160 HydrophobicContact CG-CE2 4.4Å; L131-F160 WeakPolarHBondContact O-CA 3.29Å; L131-F160 VanDerWaalsContact O-CD2 3.32Å; L131-F160 WeakPolarHBondContact O-CD2 2.86Å; K146-F160 HydrophobicContact CG-CE1 3.85Å; V150-F160 HydrophobicContact CB-CD1 4.43Å; V150-F160 HydrophobicContact CG2-CD1 3.52Å; V150-F160 HydrophobicContact CG2-CE1 3.87Å; A153-F160 HydrophobicContact CB-CB 3.66Å; A153-F160 HydrophobicContact CB-CG 4.42Å; F160-E162 HydrophobicContact CE1-CG 4.07Å; F160-E162 HydrophobicContact CE2-CG 4.48Å; F160-E162 HydrophobicContact CZ-CG 3.62Å
161F98.9Very high98Very high53 Ų5356.5 Ų56.523%0.23232%0.316CS..EExtended strand (participates in β ladder)trans-139148.9174.2-59.8-86.5000111L130 L131 L132 G133 L159 V163 H174 V175 E178L130-F161 HydrophobicContact CD2-CD2 4.2Å; L130-F161 HydrophobicContact CD2-CE2 3.91Å; L130-F161 HydrophobicContact CG-CE2 4.36Å; L131-F161 PolarHBondContact O-N 3.16Å; L132-F161 CarbonylContact C-O 3.59Å; L132-F161 WeakPolarHBondContact CA-O 3.34Å; L132-F161 HydrophobicContact CD2-CB 3.91Å; L132-F161 HydrophobicContact CD2-CD2 4.17Å; G133-F161 PolarHBondContact N-O 2.48Å; L159-F161 HydrophobicContact CB-CE2 3.97Å; L159-F161 HydrophobicContact CD1-CE2 4.37Å; F161-V163 HydrophobicContact CB-CG1 4.43Å; F161-H174 AromaticContact CE1-CE1 3.74Å; F161-V175 HydrophobicContact CB-CG1 3.7Å; F161-V175 HydrophobicContact CD1-CG1 4.1Å; F161-V175 HydrophobicContact CD2-CG1 3.94Å; F161-V175 HydrophobicContact CG-CG1 3.64Å; F161-E178 HydrophobicContact CE2-CG 4.22Å; F161-E178 HydrophobicContact CZ-CG 4.02Å
162E98.7Very high98Very high36 Ų3653.7 Ų53.717%0.16829%0.293CS..EExtended strand (participates in β ladder)trans-103.2134.5163.4-64.1-166.8148.500109.1G133 L136 R142 F160G133-E162 CarbonylContact O-C 3.56Å; G133-E162 VanDerWaalsContact O-CA 3.24Å; G133-E162 WeakPolarHBondContact O-CA 3.33Å; L136-E162 HydrophobicContact CD1-CB 4.19Å; L136-E162 WeakPolarHBondContact CD1-OE2 3.4Å; L136-E162 HydrophobicContact CD2-CB 4.15Å; R142-E162 IonicContact CZ-OE1 3.42Å; R142-E162 IonicContact CZ-OE2 2.73Å; R142-E162 IonicContact NH1-OE1 2.74Å; R142-E162 PolarHBondContact NH1-OE1 3.23Å; R142-E162 IonicContact NH1-OE2 3.69Å; R142-E162 IonicContact NH2-OE1 3.61Å; R142-E162 PolarHBondContact NH2-OE1 3.27Å; R142-E162 IonicContact NH2-OE2 3.83Å; R142-E162 PolarHBondContact NH2-OE2 3Å; F160-E162 HydrophobicContact CE1-CG 4.07Å; F160-E162 HydrophobicContact CE2-CG 4.48Å; F160-E162 HydrophobicContact CZ-CG 3.62Å
163V98.6Very high98Very high4 Ų456.1 Ų56.12%0.02430%0.304CS..  trans-139165.7-174.2-65.10000111L36 L132 G133 N134 K135 L136 F161 V175L36-V163 HydrophobicContact CD1-CG2 4.12Å; L36-V163 HydrophobicContact CD2-CB 4.48Å; L36-V163 HydrophobicContact CD2-CG2 3.86Å; L132-V163 HydrophobicContact CB-CG2 4.31Å; G133-V163 PolarHBondContact O-N 2.86Å; N134-V163 CarbonylContact C-O 3.54Å; N134-V163 VanDerWaalsContact CA-O 3.27Å; N134-V163 WeakPolarHBondContact CA-O 3.07Å; N134-V163 HydrophobicContact CB-CG2 4.29Å; N134-V163 PolarHBondContact OD1-O 2.96Å; K135-V163 PolarHBondContact N-O 3.39Å; K135-V163 VanDerWaalsContact N-O 3.08Å; L136-V163 VanDerWaalsContact CB-O 3.32Å; L136-V163 WeakPolarHBondContact CB-O 3.49Å; L136-V163 PolarHBondContact N-O 2.99Å; F161-V163 HydrophobicContact CB-CG1 4.43Å; V163-V175 HydrophobicContact CG1-CG1 3.72Å; V163-V175 HydrophobicContact CG1-CG2 4.09Å
164S98.6Very high98Very high6 Ų659.9 Ų59.94%0.04232%0.321CS..  trans-138.8132.1166.4170.30000109.9D137 C166 L167 V172D137-S164 VanDerWaalsContact OD1-CB 3.23Å; D137-S164 WeakPolarHBondContact OD1-CB 3.06Å; D137-S164 PolarHBondContact OD1-OG 2.66Å; S164-C166 PolarHBondContact O-N 2.8Å; S164-C166 PolarHBondContact OG-N 2.95Å; S164-C166 VanDerWaalsContact OG-N 3.14Å; S164-C166 PolarHBondContact OG-SG 3.24Å; S164-L167 PolarHBondContact OG-N 2.86Å; S164-V172 WeakPolarHBondContact O-CG2 3.47Å
165A97.9Very high98Very high4 Ų457.1 Ų57.13%0.03329%0.292CS..SBendtrans-67.4-22.2173.900000113.3A35 L36 K39 F45 N134A35-A165 HydrophobicContact CB-CB 3.62Å; L36-A165 HydrophobicContact CD2-CB 4.02Å; L36-A165 HydrophobicContact CG-CB 4.36Å; K39-A165 VanDerWaalsContact CD-O 3.24Å; K39-A165 WeakPolarHBondContact CD-O 3.48Å; K39-A165 WeakPolarHBondContact CE-O 3.46Å; K39-A165 WeakPolarHBondContact CG-O 3.07Å; F45-A165 HydrophobicContact CD2-CB 3.96Å; F45-A165 HydrophobicContact CE2-CB 4.15Å; N134-A165 PolarHBondContact OD1-N 3.39Å
166C96.7Very high98Very high48 Ų4849 Ų4932%0.32426%0.262SS..SBendtrans-101.5-9-175.771.90000114.4F45 D137 S164F45-C166 HydrophobicContact CB-CB 4.29Å; F45-C166 HydrophobicContact CD1-CB 3.73Å; F45-C166 HydrophobicContact CD2-CB 3.82Å; F45-C166 HydrophobicContact CE1-CB 3.94Å; F45-C166 HydrophobicContact CE2-CB 4.02Å; F45-C166 HydrophobicContact CG-CB 3.66Å; F45-C166 HydrophobicContact CZ-CB 4.08Å; D137-C166 PolarHBondContact OD1-SG 2.83Å; D137-C166 PolarHBondContact OD2-SG 3.43Å; S164-C166 PolarHBondContact O-N 2.8Å; S164-C166 PolarHBondContact OG-N 2.95Å; S164-C166 VanDerWaalsContact OG-N 3.14Å; S164-C166 PolarHBondContact OG-SG 3.24Å
167L96.4Very high98.1Very high86 Ų8647.2 Ų47.245%0.4525%0.254SS..SBendtrans-85.9-151172-60.7-179.4000111.6K39 D137 S164K39-L167 WeakPolarHBondContact CE-O 3.25Å; K39-L167 PolarHBondContact NZ-O 3.39Å; D137-L167 HydrophobicContact CB-CD1 4.24Å; D137-L167 HydrophobicContact CB-CD2 4.13Å; D137-L167 HydrophobicContact CB-CG 4.08Å; S164-L167 PolarHBondContact OG-N 2.86Å
168D94.7Very high98.1Very high108 Ų10845.5 Ų45.558%0.57823%0.226SC*.  trans-64.6137-176.2-63.4-38.9000112.8E170D168-E170 VanDerWaalsContact C-N 3.29Å; D168-E170 PolarHBondContact O-N 3.31Å
169F97.8Very high98.2Very high34 Ų3444.5 Ų44.515%0.14922%0.22CC..Hα-helixtrans-62-35.1178.3164-105.9000113K39 F40 K43 H171 V172 Q173K39-F169 WeakPolarHBondContact O-CD2 3.42Å; F40-F169 WeakPolarHBondContact O-CE2 3.45Å; K43-F169 HydrophobicContact CB-CD2 4.13Å; K43-F169 HydrophobicContact CB-CG 4.23Å; K43-F169 HydrophobicContact CD-CD1 4.29Å; K43-F169 HydrophobicContact CD-CE1 4.11Å; K43-F169 HydrophobicContact CD-CZ 4.27Å; K43-F169 HydrophobicContact CG-CD1 4.15Å; K43-F169 HydrophobicContact CG-CD2 3.81Å; K43-F169 HydrophobicContact CG-CE1 4.08Å; K43-F169 HydrophobicContact CG-CE2 3.73Å; K43-F169 HydrophobicContact CG-CG 4.01Å; K43-F169 HydrophobicContact CG-CZ 3.87Å; F169-H171 VanDerWaalsContact C-N 3.3Å; F169-H171 PolarHBondContact O-N 3.49Å; F169-V172 PolarHBondContact O-N 3.03Å; F169-V172 VanDerWaalsContact O-N 3.08Å; F169-Q173 HydrophobicContact CD1-CB 4.46Å; F169-Q173 HydrophobicContact CE1-CB 3.92Å; F169-Q173 HydrophobicContact CE1-CG 4.14Å; F169-Q173 HydrophobicContact CE2-CB 4.01Å; F169-Q173 HydrophobicContact CZ-CB 3.67Å; F169-Q173 HydrophobicContact CZ-CG 3.83Å; F169-Q173 VanDerWaalsContact CZ-OE1 3.25Å; F169-Q173 PolarHBondContact O-N 3.34Å
170E98.1Very high98.1Very high144 Ų14441.4 Ų41.467%0.67320%0.204SC*.Hα-helixtrans-60.3-37.4-173.1-65-179.9177.500113D168 Q173 H174D168-E170 VanDerWaalsContact C-N 3.29Å; D168-E170 PolarHBondContact O-N 3.31Å; E170-Q173 PolarHBondContact O-N 2.94Å; E170-H174 VanDerWaalsContact O-CB 3.26Å; E170-H174 WeakPolarHBondContact O-CB 3.31Å; E170-H174 PolarHBondContact O-N 3.36Å
171H97.6Very high98.1Very high119 Ų11942.2 Ų42.255%0.55121%0.206SC*.Hα-helixtrans-68.1-38.5177-69.491.8000112.1F169 H174 V175F169-H171 VanDerWaalsContact C-N 3.3Å; F169-H171 PolarHBondContact O-N 3.49Å; H171-H174 PolarHBondContact O-N 3.48Å; H171-V175 PolarHBondContact O-N 2.85Å
172V98.7Very high98.1Very high0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-68.6-46.2174.6178.30000110L36 K39 F40 S164 F169 H174 V175 F176L36-V172 HydrophobicContact CD2-CG1 4.14Å; L36-V172 HydrophobicContact CD2-CG2 3.89Å; K39-V172 HydrophobicContact CB-CG1 4.32Å; K39-V172 HydrophobicContact CG-CB 4.11Å; K39-V172 HydrophobicContact CG-CG1 4.15Å; K39-V172 HydrophobicContact CG-CG2 3.89Å; F40-V172 HydrophobicContact CB-CG1 4.1Å; S164-V172 WeakPolarHBondContact O-CG2 3.47Å; F169-V172 PolarHBondContact O-N 3.03Å; F169-V172 VanDerWaalsContact O-N 3.08Å; V172-H174 VanDerWaalsContact C-N 3.27Å; V172-H174 PolarHBondContact O-N 3.49Å; V172-V175 WeakPolarHBondContact O-CG2 3.44Å; V172-V175 PolarHBondContact O-N 2.64Å; V172-F176 HydrophobicContact CG1-CD2 4.05Å; V172-F176 HydrophobicContact CG1-CE2 3.9Å; V172-F176 VanDerWaalsContact O-CD2 3.3Å; V172-F176 WeakPolarHBondContact O-CD2 3.34Å; V172-F176 PolarHBondContact O-N 3.06Å
173Q98.6Very high98Very high57 Ų5740 Ų4027%0.26620%0.197SC..Hα-helixtrans-56.9-42.7175-172.6-174-112.600111.6F40 F169 E170 V175 F176 H177F40-Q173 HydrophobicContact CE2-CG 4.24Å; F169-Q173 HydrophobicContact CD1-CB 4.46Å; F169-Q173 HydrophobicContact CE1-CB 3.92Å; F169-Q173 HydrophobicContact CE1-CG 4.14Å; F169-Q173 HydrophobicContact CE2-CB 4.01Å; F169-Q173 HydrophobicContact CZ-CB 3.67Å; F169-Q173 HydrophobicContact CZ-CG 3.83Å; F169-Q173 VanDerWaalsContact CZ-OE1 3.25Å; F169-Q173 PolarHBondContact O-N 3.34Å; E170-Q173 PolarHBondContact O-N 2.94Å; Q173-V175 PolarHBondContact O-N 3.22Å; Q173-F176 PolarHBondContact O-N 3.24Å; Q173-H177 WeakPolarHBondContact O-CB 3.43Å; Q173-H177 PolarHBondContact O-CD2 2.9Å; Q173-H177 PolarHBondContact O-N 3.34Å
174H98.7Very high97.9Very high83 Ų8341.3 Ų41.338%0.38420%0.201SC..Hα-helixtrans-56.2-48.8178.9175.2-88.1000112.1F161 E170 H171 V172 F176 H177 E178F161-H174 AromaticContact CE1-CE1 3.74Å; E170-H174 VanDerWaalsContact O-CB 3.26Å; E170-H174 WeakPolarHBondContact O-CB 3.31Å; E170-H174 PolarHBondContact O-N 3.36Å; H171-H174 PolarHBondContact O-N 3.48Å; V172-H174 VanDerWaalsContact C-N 3.27Å; V172-H174 PolarHBondContact O-N 3.49Å; H174-F176 PolarHBondContact O-N 3.07Å; H174-H177 PolarHBondContact O-N 3.39Å; H174-E178 WeakPolarHBondContact O-CB 3.43Å; H174-E178 PolarHBondContact O-N 3.29Å
175V98.8Very high97.7Very high2 Ų247.3 Ų47.31%0.01222%0.223CC..Hα-helixtrans-69.8-32.6-177.6-61.20000113.2L130 L132 F161 V163 H171 V172 Q173 E178 A179L130-V175 WeakPolarHBondContact CD2-O 3.41Å; L132-V175 HydrophobicContact CD1-CG2 4.15Å; L132-V175 HydrophobicContact CD2-CB 4.1Å; L132-V175 HydrophobicContact CD2-CG1 4.14Å; L132-V175 HydrophobicContact CD2-CG2 4.39Å; F161-V175 HydrophobicContact CB-CG1 3.7Å; F161-V175 HydrophobicContact CD1-CG1 4.1Å; F161-V175 HydrophobicContact CD2-CG1 3.94Å; F161-V175 HydrophobicContact CG-CG1 3.64Å; V163-V175 HydrophobicContact CG1-CG1 3.72Å; V163-V175 HydrophobicContact CG1-CG2 4.09Å; H171-V175 PolarHBondContact O-N 2.85Å; V172-V175 WeakPolarHBondContact O-CG2 3.44Å; V172-V175 PolarHBondContact O-N 2.64Å; Q173-V175 PolarHBondContact O-N 3.22Å; V175-E178 PolarHBondContact O-N 2.61Å; V175-A179 PolarHBondContact O-N 2.78Å; V175-A179 VanDerWaalsContact O-N 3.08Å
176F98.8Very high97.4Very high0 Ų049.2 Ų49.20%023%0.231CC..Hα-helixtrans-68.2-42.9172.5-84.1-103.4000111.2L23 I25 L36 F40 V72 L95 V172 Q173 H174 E178 A179 V180L23-F176 HydrophobicContact CD1-CD1 3.99Å; I25-F176 HydrophobicContact CD1-CE1 3.77Å; I25-F176 HydrophobicContact CD1-CZ 3.51Å; L36-F176 HydrophobicContact CB-CE2 4.34Å; F40-F176 HydrophobicContact CB-CD1 4.34Å; F40-F176 HydrophobicContact CB-CD2 4.01Å; F40-F176 HydrophobicContact CB-CE1 4.2Å; F40-F176 HydrophobicContact CB-CE2 3.86Å; F40-F176 HydrophobicContact CB-CG 4.25Å; F40-F176 HydrophobicContact CB-CZ 3.95Å; F40-F176 AromaticContact CD1-CD1 3.67Å; F40-F176 HydrophobicContact CD1-CD1 3.67Å; F40-F176 AromaticContact CD1-CE1 3.92Å; F40-F176 HydrophobicContact CD1-CE1 3.92Å; F40-F176 HydrophobicContact CD1-CG 4.07Å; F40-F176 HydrophobicContact CD2-CB 3.59Å; F40-F176 HydrophobicContact CD2-CD1 4.07Å; F40-F176 AromaticContact CD2-CD2 3.9Å; F40-F176 HydrophobicContact CD2-CD2 3.9Å; F40-F176 AromaticContact CD2-CG 3.59Å; F40-F176 HydrophobicContact CD2-CG 3.59Å; F40-F176 HydrophobicContact CE1-CB 4.46Å; F40-F176 AromaticContact CE1-CD1 3.96Å; F40-F176 HydrophobicContact CE1-CD1 3.96Å; F40-F176 HydrophobicContact CE1-CG 4.38Å; F40-F176 HydrophobicContact CE2-CB 3.45Å; F40-F176 VanDerWaalsContact CE2-CB 3.45Å; F40-F176 HydrophobicContact CE2-CD1 4.33Å; F40-F176 AromaticContact CE2-CG 3.92Å; F40-F176 HydrophobicContact CE2-CG 3.92Å; F40-F176 HydrophobicContact CG-CB 4.17Å; F40-F176 AromaticContact CG-CD1 3.73Å; F40-F176 HydrophobicContact CG-CD1 3.73Å; F40-F176 AromaticContact CG-CD2 3.93Å; F40-F176 HydrophobicContact CG-CD2 3.93Å; F40-F176 HydrophobicContact CG-CE1 4.02Å; F40-F176 HydrophobicContact CG-CE2 4.2Å; F40-F176 AromaticContact CG-CG 3.67Å; F40-F176 HydrophobicContact CG-CG 3.67Å; F40-F176 HydrophobicContact CG-CZ 4.24Å; F40-F176 HydrophobicContact CZ-CB 3.92Å; F40-F176 HydrophobicContact CZ-CD1 4.27Å; F40-F176 HydrophobicContact CZ-CG 4.29Å; V72-F176 HydrophobicContact CG1-CE1 3.96Å; V72-F176 HydrophobicContact CG2-CD1 4.43Å; V72-F176 HydrophobicContact CG2-CE1 4.18Å; L95-F176 HydrophobicContact CD1-CD1 4.04Å; L95-F176 HydrophobicContact CD1-CD2 4.13Å; L95-F176 HydrophobicContact CD1-CE1 3.87Å; L95-F176 HydrophobicContact CD1-CE2 3.98Å; L95-F176 HydrophobicContact CD1-CG 4.18Å; L95-F176 HydrophobicContact CD1-CZ 3.85Å; V172-F176 HydrophobicContact CG1-CD2 4.05Å; V172-F176 HydrophobicContact CG1-CE2 3.9Å; V172-F176 VanDerWaalsContact O-CD2 3.3Å; V172-F176 WeakPolarHBondContact O-CD2 3.34Å; V172-F176 PolarHBondContact O-N 3.06Å; Q173-F176 PolarHBondContact O-N 3.24Å; H174-F176 PolarHBondContact O-N 3.07Å; F176-E178 VanDerWaalsContact C-N 3.31Å; F176-E178 PolarHBondContact O-N 2.95Å; F176-A179 PolarHBondContact O-N 2.92Å; F176-V180 WeakPolarHBondContact O-CG2 3.27Å; F176-V180 PolarHBondContact O-N 3.28Å; F176-V180 VanDerWaalsContact O-N 3.13Å
177H98.8Very high97Very high18 Ų1850.8 Ų50.88%0.08324%0.236CC..Hα-helixtrans-65.5-36175.5-74.8-158000111.6E61 V63 Q173 H174 V180 R181E61-H177 IonicContact OE2-NE2 3.89Å; V63-H177 HydrophobicContact CG1-CB 4.12Å; V63-H177 HydrophobicContact CG2-CB 4.25Å; Q173-H177 WeakPolarHBondContact O-CB 3.43Å; Q173-H177 PolarHBondContact O-CD2 2.9Å; Q173-H177 PolarHBondContact O-N 3.34Å; H174-H177 PolarHBondContact O-N 3.39Å; H177-V180 WeakPolarHBondContact O-CB 3.26Å; H177-V180 PolarHBondContact O-N 3.11Å; H177-R181 WeakPolarHBondContact O-CG 3.07Å; H177-R181 PolarHBondContact O-N 3.3Å
178E98.9Very high96.6Very high35 Ų3553.9 Ų53.916%0.16425%0.248CC..Hα-helixtrans-64.4-42.6175.8-163.563.2-164.100111.6L130 L159 F161 H174 V175 F176 V180 R181 E182L130-E178 HydrophobicContact CD2-CB 4.06Å; L130-E178 HydrophobicContact CD2-CG 4.31Å; L159-E178 HydrophobicContact CD1-CG 4.04Å; F161-E178 HydrophobicContact CE2-CG 4.22Å; F161-E178 HydrophobicContact CZ-CG 4.02Å; H174-E178 WeakPolarHBondContact O-CB 3.43Å; H174-E178 PolarHBondContact O-N 3.29Å; V175-E178 PolarHBondContact O-N 2.61Å; F176-E178 VanDerWaalsContact C-N 3.31Å; F176-E178 PolarHBondContact O-N 2.95Å; E178-V180 VanDerWaalsContact C-N 3.26Å; E178-V180 PolarHBondContact O-N 3.36Å; E178-R181 WeakPolarHBondContact O-CB 3.43Å; E178-R181 PolarHBondContact O-N 2.98Å; E178-R181 VanDerWaalsContact O-N 3.1Å; E178-R181 IonicContact OE2-CZ 3.74Å; E178-R181 IonicContact OE2-NH1 2.74Å; E178-R181 PolarHBondContact OE2-NH1 2.98Å; E178-E182 WeakPolarHBondContact O-CG 3.47Å; E178-E182 PolarHBondContact O-N 3.44Å
179A98.8Very high96Very high0 Ų055.7 Ų55.70%025%0.251CS..Hα-helixtrans-59.9-37.3172.400000112.6L23 A93 L95 L130 V175 F176 E182 A183L23-A179 HydrophobicContact CD1-CB 4.21Å; L23-A179 HydrophobicContact CD2-CB 3.88Å; A93-A179 HydrophobicContact CB-CB 4.22Å; L95-A179 HydrophobicContact CD2-CB 3.75Å; L95-A179 HydrophobicContact CG-CB 4.49Å; L130-A179 HydrophobicContact CD1-CB 4Å; L130-A179 HydrophobicContact CD2-CB 4.1Å; V175-A179 PolarHBondContact O-N 2.78Å; V175-A179 VanDerWaalsContact O-N 3.08Å; F176-A179 PolarHBondContact O-N 2.92Å; A179-E182 PolarHBondContact O-N 3.49Å; A179-A183 WeakPolarHBondContact O-CB 3.48Å; A179-A183 PolarHBondContact O-N 2.95Å
180V98.6Very high94.6Very high0 Ų057.4 Ų57.40%027%0.267CS..Hα-helixtrans-65-40.2174171.70000111.8V21 L23 V63 V68 L70 F176 H177 E178 A183 R184V21-V180 HydrophobicContact CG1-CG2 4.16Å; V21-V180 HydrophobicContact CG2-CG1 4.37Å; L23-V180 HydrophobicContact CD1-CG2 4.3Å; V63-V180 HydrophobicContact CB-CG1 4.07Å; V63-V180 HydrophobicContact CG1-CB 4.48Å; V63-V180 HydrophobicContact CG1-CG1 4.19Å; V63-V180 HydrophobicContact CG2-CB 4.2Å; V63-V180 HydrophobicContact CG2-CG1 3.86Å; V68-V180 HydrophobicContact CG1-CG1 4.3Å; V68-V180 HydrophobicContact CG2-CG1 3.97Å; L70-V180 HydrophobicContact CD1-CG2 3.5Å; L70-V180 HydrophobicContact CD2-CG2 4.34Å; F176-V180 WeakPolarHBondContact O-CG2 3.27Å; F176-V180 PolarHBondContact O-N 3.28Å; F176-V180 VanDerWaalsContact O-N 3.13Å; H177-V180 WeakPolarHBondContact O-CB 3.26Å; H177-V180 PolarHBondContact O-N 3.11Å; E178-V180 VanDerWaalsContact C-N 3.26Å; E178-V180 PolarHBondContact O-N 3.36Å; V180-A183 PolarHBondContact O-N 3.35Å; V180-R184 WeakPolarHBondContact O-CG 3.34Å; V180-R184 PolarHBondContact O-N 3.13Å
181R98.4Very high92.6Very high50 Ų5055.7 Ų55.719%0.18927%0.268CS..Hα-helixtrans-62-47.5175.7-69.7179.1-171.9111.94.8111.2V63 D64 H177 E178 A183 R184 R185V63-R181 HydrophobicContact CG1-CG 3.99Å; D64-R181 IonicContact OD1-CZ 3.41Å; D64-R181 IonicContact OD1-NE 3.09Å; D64-R181 PolarHBondContact OD1-NE 2.77Å; D64-R181 VanDerWaalsContact OD1-NE 3.09Å; D64-R181 IonicContact OD1-NH2 2.81Å; D64-R181 PolarHBondContact OD1-NH2 3.32Å; D64-R181 WeakPolarHBondContact OD2-CD 3.31Å; D64-R181 WeakPolarHBondContact OD2-CG 3.47Å; D64-R181 IonicContact OD2-CZ 3.89Å; D64-R181 IonicContact OD2-NE 2.86Å; D64-R181 PolarHBondContact OD2-NE 3.07Å; H177-R181 WeakPolarHBondContact O-CG 3.07Å; H177-R181 PolarHBondContact O-N 3.3Å; E178-R181 WeakPolarHBondContact O-CB 3.43Å; E178-R181 PolarHBondContact O-N 2.98Å; E178-R181 VanDerWaalsContact O-N 3.1Å; E178-R181 IonicContact OE2-CZ 3.74Å; E178-R181 IonicContact OE2-NH1 2.74Å; E178-R181 PolarHBondContact OE2-NH1 2.98Å; R181-A183 PolarHBondContact O-N 2.72Å; R181-R184 WeakPolarHBondContact O-CB 3.21Å; R181-R184 PolarHBondContact O-N 3.41Å; R181-R185 WeakPolarHBondContact O-CG 3.35Å; R181-R185 PolarHBondContact O-N 3.05Å
182E98.2Very high90.4Very high39 Ų3957.4 Ų57.418%0.18228%0.281CS..Hα-helixtrans-65.4-40.4179.7-64.4-5697.900111.8P128 L159 E178 A179 R184 R185 E186P128-E182 HydrophobicContact CB-CB 3.7Å; P128-E182 HydrophobicContact CG-CB 3.75Å; L159-E182 HydrophobicContact CD1-CG 3.79Å; E178-E182 WeakPolarHBondContact O-CG 3.47Å; E178-E182 PolarHBondContact O-N 3.44Å; A179-E182 PolarHBondContact O-N 3.49Å; E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 3.07Å; E182-R185 PolarHBondContact O-N 3.14Å; E182-R185 VanDerWaalsContact OE1-CD 3.3Å; E182-R185 WeakPolarHBondContact OE1-CD 3.31Å; E182-R185 IonicContact OE1-NE 3.03Å; E182-R185 PolarHBondContact OE1-NE 3.43Å; E182-E186 PolarHBondContact O-N 3.24Å; E182-E186 VanDerWaalsContact O-N 3.07Å
183A97.2Very high87.9Confident4 Ų463.9 Ų63.93%0.03332%0.321CS..Hα-helixtrans-58-43.3173.400000112.3V21 H92 A93 A179 V180 R181 E186 L187V21-A183 HydrophobicContact CG1-CB 3.82Å; H92-A183 HydrophobicContact CB-CB 3.92Å; H92-A183 WeakPolarHBondContact O-CB 3.34Å; A93-A183 HydrophobicContact CB-CB 4.09Å; A179-A183 WeakPolarHBondContact O-CB 3.48Å; A179-A183 PolarHBondContact O-N 2.95Å; V180-A183 PolarHBondContact O-N 3.35Å; R181-A183 PolarHBondContact O-N 2.72Å; A183-E186 PolarHBondContact O-N 3.04Å; A183-L187 WeakPolarHBondContact O-CB 2.78Å; A183-L187 PolarHBondContact O-N 3.21Å
184R95.6Very high85.2Confident31 Ų3171.4 Ų71.412%0.11735%0.347CS..Hα-helixtrans-62.8-44.8176.5-77.9172168.4-178.7-6.1111.8L19 V63 Q66 V180 R181 E182 E186 L187 E188L19-R184 HydrophobicContact CD2-CG 3.58Å; V63-R184 PolarHBondContact O-NH1 3.48Å; Q66-R184 PolarHBondContact O-NH2 3.27Å; Q66-R184 VanDerWaalsContact O-NH2 3.1Å; V180-R184 WeakPolarHBondContact O-CG 3.34Å; V180-R184 PolarHBondContact O-N 3.13Å; R181-R184 WeakPolarHBondContact O-CB 3.21Å; R181-R184 PolarHBondContact O-N 3.41Å; E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 3.07Å; R184-E186 VanDerWaalsContact C-N 3.32Å; R184-E186 PolarHBondContact O-N 3.36Å; R184-L187 PolarHBondContact O-N 3.46Å; R184-E188 WeakPolarHBondContact O-CG 3.44Å; R184-E188 PolarHBondContact O-N 3.19Å
185R94.6Very high82.4Confident132 Ų13272.4 Ų72.450%0.49836%0.361SS..Hα-helixtrans-58.8-43.1177.7-69.8-178.3-163.9-710.2112R181 E182 K189R181-R185 WeakPolarHBondContact O-CG 3.35Å; R181-R185 PolarHBondContact O-N 3.05Å; E182-R185 PolarHBondContact O-N 3.14Å; E182-R185 VanDerWaalsContact OE1-CD 3.3Å; E182-R185 WeakPolarHBondContact OE1-CD 3.31Å; E182-R185 IonicContact OE1-NE 3.03Å; E182-R185 PolarHBondContact OE1-NE 3.43Å; R185-K189 VanDerWaalsContact O-CG 3.31Å; R185-K189 WeakPolarHBondContact O-CG 3.23Å; R185-K189 PolarHBondContact O-N 3.13Å
186E92.6Very high79.8Confident43 Ų4379.7 Ų79.720%0.20140%0.399CS..Hα-helixtrans-69.7-40.9178.2-70.4-54.4125.100112P128 E182 A183 R184 E188 K189 S190P128-E186 HydrophobicContact CG-CG 4.13Å; E182-E186 PolarHBondContact O-N 3.24Å; E182-E186 VanDerWaalsContact O-N 3.07Å; A183-E186 PolarHBondContact O-N 3.04Å; R184-E186 VanDerWaalsContact C-N 3.32Å; R184-E186 PolarHBondContact O-N 3.36Å; E186-E188 VanDerWaalsContact C-N 3.28Å; E186-E188 PolarHBondContact O-N 3.31Å; E186-K189 PolarHBondContact O-N 3.13Å; E186-K189 VanDerWaalsContact O-N 3.14Å; E186-K189 IonicContact OE1-NZ 2.69Å; E186-K189 PolarHBondContact OE1-NZ 3.39Å; E186-S190 PolarHBondContact O-N 2.82Å; E186-S190 PolarHBondContact O-OG 3.27Å
187L87.6Confident77.1Confident82 Ų8288.9 Ų88.943%0.42944%0.439SS..Hα-helixtrans-63-34.8176.9-173.264.2000112.7L19 A183 R184 S190L19-L187 HydrophobicContact CD1-CD2 3.72Å; L19-L187 HydrophobicContact CD2-CD2 4.46Å; A183-L187 WeakPolarHBondContact O-CB 2.78Å; A183-L187 PolarHBondContact O-N 3.21Å; R184-L187 PolarHBondContact O-N 3.46Å; L187-S190 CarbonylContact O-C 3.34Å; L187-S190 PolarHBondContact O-N 2.63Å
188E87Confident74.7Confident151 Ų15194.9 Ų94.971%0.70647%0.47SS*.Hα-helixtrans-69.5-34.2174.9-73.8172.4-17600112.8R184 E186 S190R184-E188 WeakPolarHBondContact O-CG 3.44Å; R184-E188 PolarHBondContact O-N 3.19Å; E186-E188 VanDerWaalsContact C-N 3.28Å; E186-E188 PolarHBondContact O-N 3.31Å; E188-S190 VanDerWaalsContact C-N 3.31Å
189K83.3Confident72.2Confident145 Ų14598.5 Ų98.563%0.6350%0.499SS*.Hα-helixtrans-70.8-25.7175.7-70.6170.3-169.1172.20112.8R185 E186 P191R185-K189 VanDerWaalsContact O-CG 3.31Å; R185-K189 WeakPolarHBondContact O-CG 3.23Å; R185-K189 PolarHBondContact O-N 3.13Å; E186-K189 PolarHBondContact O-N 3.13Å; E186-K189 VanDerWaalsContact O-N 3.14Å; E186-K189 IonicContact OE1-NZ 2.69Å; E186-K189 PolarHBondContact OE1-NZ 3.39Å; K189-P191 WeakPolarHBondContact O-CD 3.34Å
190S68.1Low69.5Low71 Ų71107 Ų10750%0.49754%0.539SS..  trans-11268.4179.366.80000112.6E186 L187 E188 L192E186-S190 PolarHBondContact O-N 2.82Å; E186-S190 PolarHBondContact O-OG 3.27Å; L187-S190 CarbonylContact O-C 3.34Å; L187-S190 PolarHBondContact O-N 2.63Å; E188-S190 VanDerWaalsContact C-N 3.31Å; S190-L192 PolarHBondContact O-N 3.34Å
191P56.2Low66.9Low107 Ų107116.1 Ų116.170%0.69558%0.581SS**  trans-71.98-174.928.9-35.2000115.2K189 T193K189-P191 WeakPolarHBondContact O-CD 3.34Å; P191-T193 PolarHBondContact O-N 3.03Å
192L50.9Low64.1Low156 Ų156125.1 Ų125.182%0.81762%0.615SS**  trans-82.3115.5-180-69.2174.1000110.6S190S190-L192 PolarHBondContact O-N 3.34Å
193T47.1Very low61.1Low136 Ų136127.5 Ų127.583%0.83464%0.642SS**  trans94.967.7173.664.50000117.5P191P191-T193 PolarHBondContact O-N 3.03Å
194R41.4Very low58.4Low215 Ų215135.1 Ų135.181%0.81168%0.681SS**  trans-86.8117.7131.9-70.7-175.4-178.7177.81.6107.2L196R194-L196 PolarHBondContact O-N 3.22Å
195P40.2Very low55.8Low104 Ų104139.6 Ų139.668%0.67571%0.714SS**  trans-61.5106.8164.8-11.224.9000106.4F197P195-F197 VanDerWaalsContact C-N 3.3Å; P195-F197 PolarHBondContact O-N 3.1Å
196L42.8Very low53.1Low155 Ų155141.1 Ų141.181%0.81273%0.727SS**  trans-63.9103.3160.7-70.1171.4000104.7R194 I198R194-L196 PolarHBondContact O-N 3.22Å; L196-I198 PolarHBondContact O-N 3.12Å
197F43.4Very low50.4Low192 Ų192147.8 Ų147.884%0.84276%0.758SS**  trans-59.496.1165.6-85-88.6000106.7P195 S199P195-F197 VanDerWaalsContact C-N 3.3Å; P195-F197 PolarHBondContact O-N 3.1Å; F197-S199 VanDerWaalsContact C-N 3.32Å; F197-S199 PolarHBondContact O-N 3.26Å; F197-S199 VanDerWaalsContact O-N 3.11Å
198I47.4Very low47.8Very low145 Ų145148.2 Ų148.274%0.74477%0.773SS**  trans-71.6100.2160.1-61174000103.8L196 E200L196-I198 PolarHBondContact O-N 3.12Å; I198-E200 VanDerWaalsContact C-N 3.31Å; I198-E200 PolarHBondContact O-N 2.82Å
199S46.9Very low45.9Very low110 Ų110146.1 Ų146.177%0.76977%0.773SS**  trans-62.3100.4163.5-67.30000107F197 E201F197-S199 VanDerWaalsContact C-N 3.32Å; F197-S199 PolarHBondContact O-N 3.26Å; F197-S199 VanDerWaalsContact O-N 3.11Å; S199-E201 PolarHBondContact O-N 2.74Å; S199-E201 VanDerWaalsContact O-N 3.07Å
200E42.4Very low43.5Very low179 Ų179146.5 Ų146.584%0.83678%0.781SS**  trans-64.1107.7163.6-81.2-172.515100107.7I198 R202I198-E200 VanDerWaalsContact C-N 3.31Å; I198-E200 PolarHBondContact O-N 2.82Å; E200-R202 PolarHBondContact O-N 3.28Å
201E43.7Very low41.9Very low191 Ų191150.2 Ų150.289%0.89380%0.801SS**  trans-6799.5169-160.7176.3-167.800107.6S199 A203S199-E201 PolarHBondContact O-N 2.74Å; S199-E201 VanDerWaalsContact O-N 3.07Å; E201-A203 PolarHBondContact O-N 2.71Å; E201-A203 VanDerWaalsContact O-N 3.11Å
202R39.2Very low40.7Very low239 Ų239149.4 Ų149.490%0.90280%0.803SS**  trans-77.1101.4-177.1-149.4176.7-160167.95.9109.4E200E200-R202 PolarHBondContact O-N 3.28Å
203A35.2Very low39.9Very low90 Ų90152.5 Ų152.574%0.74480%0.804SS**  trans-58.5132.9167.100000110.8E201E201-A203 PolarHBondContact O-N 2.71Å; E201-A203 VanDerWaalsContact O-N 3.11Å
204L39.9Very low39.1Very low163 Ų163154.5 Ų154.585%0.85380%0.804SS**  trans-65.9153.9171.9-71157.1000111
205P41.8Very low38.6Very low125 Ų125148.1 Ų148.181%0.81280%0.804SS**  trans-134148.1131.424.1-6.1000114.7
206H38.4Very low38.3Very low165 Ų165151.8 Ų151.876%0.76482%0.817SS**  trans-72.6148.2175.6-85.3-73.4000114.1
207Q34.7Very low37.8Very low183 Ų183149 Ų14986%0.85582%0.817SS**  trans71134.2141.5-72.1177.3-20.400122
208A33.6Very low37.3Very low91 Ų91145.2 Ų145.275%0.75281%0.814SS**  trans-94.1-165.9177.600000111.4
209P47.6Very low36.5Very low107 Ų107143.1 Ų143.170%0.69581%0.811SS**  cis-142.2-176.3-836.2-12.9000116.5
210L33Very low35.8Very low153 Ų153144 Ų14480%0.80181%0.813SS**  trans78.7119.5155.7-50.6178.1000121.7
211T33.3Very low35.5Very low148 Ų148144.6 Ų144.691%0.90881%0.813SS**  167.9155.8104.341.50000111.7
212A32.6Very low35Very low91 Ų91142.6 Ų142.675%0.75281%0.808SS**  trans-87.8151.6-164.400000115.6
213R32.2Very low34.7Very low221 Ų221137.6 Ų137.683%0.83480%0.804SS**  154.9134.2116.1-89.1-174.5149.3175.6-4.2113.9
214H31.7Very low35Very low178 Ų178141.1 Ų141.182%0.82481%0.809SS**  trans37.8127.5148.9-61.6-69.5000122.6
215G31.1Very low34.8Very low80 Ų80138.1 Ų138.183%0.82580%0.802SS**  trans-179.3110154.500000112.1
216L32.7Very low34.5Very low181 Ų181138.7 Ų138.795%0.94880%0.804SS**  trans-72.3138.4171.7-74.6154.7000110.6
217A33Very low34.4Very low97 Ų97136.7 Ų136.780%0.80280%0.803SS**  trans-179.7119.5132.200000112.6
218S32.4Very low34.2Very low112 Ų112133.3 Ų133.378%0.78380%0.799SS**  trans2.7124.4144.8-171.10000119.5
219C30.9Very low34.3Very low102 Ų102136.5 Ų136.569%0.68980%0.803SS**  -162.9113.6119.435.30000110.9F221C219-F221 HydrophobicContact CB-CE2 4.35Å; C219-F221 PolarHBondContact O-N 3.45Å
220T33.1Very low33.8Very low129 Ų129140.7 Ų140.779%0.79181%0.81SS**  trans-66.9117.1169.145.30000109.7
221F35.3Very low34Very low191 Ų191142.1 Ų142.184%0.83881%0.813SS**  trans-117.3126.9160.1-83.5-79.3000109.7C219C219-F221 HydrophobicContact CB-CE2 4.35Å; C219-F221 PolarHBondContact O-N 3.45Å
222N33.8Very low34.3Very low149 Ų149142.6 Ų142.680%0.79781%0.806SS**  trans-63.6141.7-169.9-76-30.7000113L224N222-L224 PolarHBondContact O-N 3.32Å
223T32Very low34.7Very low134 Ų134143.6 Ų143.682%0.82281%0.806SS**  trans-28105.7163.2-28.40000114S225T223-S225 PolarHBondContact O-N 3.36Å
224L41.1Very low35Very low163 Ų163139.9 Ų139.985%0.85381%0.807SS**  trans-77115.6155.5-88.1158.9000107.4N222 T226N222-L224 PolarHBondContact O-N 3.32Å; L224-T226 PolarHBondContact O-N 3.33Å
225S36.3Very low35.5Very low101 Ų101134.2 Ų134.271%0.70679%0.785SS**  trans-54.4117.9174.430.50000110.8T223 V227T223-S225 PolarHBondContact O-N 3.36Å; S225-V227 PolarHBondContact O-N 3.21Å
226T35.4Very low36.1Very low137 Ų137131.9 Ų131.984%0.8476%0.758SS**  trans-60.1103.5170-36.10000108.6L224 S228L224-T226 PolarHBondContact O-N 3.33Å; T226-S228 PolarHBondContact O-N 3.09Å
227V35.7Very low36.3Very low123 Ų123131 Ų13175%0.74575%0.749SS**  trans-63.5108.5166.2176.10000106.4S225 L229S225-V227 PolarHBondContact O-N 3.21Å; V227-L229 PolarHBondContact O-N 2.99Å
228S31.6Very low36.6Very low112 Ų112128.8 Ų128.878%0.78373%0.73SS**  trans-65.599.6174.3-162.90000107.7T226 K230T226-S228 PolarHBondContact O-N 3.09Å; S228-K230 PolarHBondContact O-N 2.97Å
229L35.9Very low36.8Very low157 Ų157131.3 Ų131.382%0.82273%0.728SS**  trans-63.3102.9168.4-72.5169.5000107V227 E231V227-L229 PolarHBondContact O-N 2.99Å; L229-E231 PolarHBondContact O-N 3.17Å; L229-E231 VanDerWaalsContact O-N 3.09Å
230K37.2Very low37.1Very low196 Ų196133.3 Ų133.385%0.85273%0.731SS**  trans-64.1110.1171.4-162.5172.6-175.6179.40106.8S228 M232S228-K230 PolarHBondContact O-N 2.97Å; K230-M232 PolarHBondContact O-N 3.19Å
231E36.6Very low37.1Very low183 Ų183131.6 Ų131.686%0.85572%0.72SS**PPolyproline II helixtrans-49129.3178.1-73.2179.714200110.3L229L229-E231 PolarHBondContact O-N 3.17Å; L229-E231 VanDerWaalsContact O-N 3.09Å
232M39.6Very low37.1Very low157 Ų157128.7 Ų128.777%0.77372%0.718SS**PPolyproline II helixtrans-67.5138.6174.5-59.6-144.890.600109.3K230K230-M232 PolarHBondContact O-N 3.19Å
233P41.4Very low37.2Very low113 Ų113127 Ų12773%0.73471%0.712SS**PPolyproline II helixtrans-62.1143.1179.824.4-31.5000111.1V235P233-V235 PolarHBondContact O-N 2.84Å
234T37.4Very low37.4Very low142 Ų142129.9 Ų129.987%0.87171%0.713SS**PPolyproline II helixtrans-63124.9-176.5-38.40000110.7A236T234-A236 PolarHBondContact O-N 3.29Å
235V43.4Very low37.2Very low60 Ų60127.4 Ų127.436%0.36471%0.71SS.*PPolyproline II helixtrans-62.5119.8-179-178.70000110.5S58 R71 P233 Q237S58-V235 WeakPolarHBondContact OG-CG1 3.47Å; R71-V235 VanDerWaalsContact NH2-CG2 3.28Å; P233-V235 PolarHBondContact O-N 2.84Å; V235-Q237 PolarHBondContact O-N 3.49Å
236A43.8Very low37.3Very low30 Ų30128.3 Ų128.325%0.24872%0.716CS.*  trans-72.3115.1175.200000110.1T234 A238T234-A236 PolarHBondContact O-N 3.29Å; A236-A238 PolarHBondContact O-N 2.74Å
237Q35.3Very low37.6Very low164 Ų164133.9 Ų133.977%0.76672%0.722SS**  trans-75.1121173.5-73.2-169.6-17.700110.9V235 K239V235-Q237 PolarHBondContact O-N 3.49Å; Q237-K239 PolarHBondContact O-N 2.64Å
238A40.8Very low37.7Very low49 Ų49132.7 Ų132.741%0.40573%0.725SS.*  trans-67.5101.9172.900000111.2A236 L260A236-A238 PolarHBondContact O-N 2.74Å; A238-L260 HydrophobicContact CB-CD2 3.17Å
239K36.3Very low38.1Very low166 Ų166137.1 Ų137.172%0.72273%0.734SS**  trans-120.4126.3173.2-153.3171.9-172.5174.30110.8Q237 V241Q237-K239 PolarHBondContact O-N 2.64Å; K239-V241 PolarHBondContact O-N 3.33Å
240L36Very low38.2Very low144 Ų144135 Ų13575%0.75473%0.732SS**  trans-73.2114.3174.7-165.377.1000108.9L259L240-L259 HydrophobicContact CD1-CD2 4Å
241V34.7Very low38.6Very low93 Ų93135.5 Ų135.556%0.56473%0.734SS**  trans-121.6123.3178.4-177.50000109.3K239 V243K239-V241 PolarHBondContact O-N 3.33Å; V241-V243 HydrophobicContact CG1-CG2 4.19Å
242T33.8Very low38.9Very low129 Ų129137.9 Ų137.979%0.79174%0.735SS**PPolyproline II helixtrans-93.6117.5173.2-55.80000108.8
243V36.1Very low38.7Very low113 Ų113140.9 Ų140.969%0.68574%0.744SS**PPolyproline II helixtrans-103.7126.9175.2-171.90000109.4V241V241-V243 HydrophobicContact CG1-CG2 4.19Å
244K36.3Very low38.4Very low195 Ų195139.5 Ų139.585%0.84874%0.742SS**PPolyproline II helixtrans-83.3118167.6-70.3-179.5178.2175.50108.1
245S38.2Very low38.4Very low112 Ų112138.2 Ų138.278%0.78374%0.736SS**PPolyproline II helixtrans-78.2129.5173.154.40000110.6
246S38.5Very low38.2Very low120 Ų120141.2 Ų141.284%0.83975%0.754SS**PPolyproline II helixtrans-92.6122.7174-71.30000110.4
247R40.6Very low37.9Very low253 Ų253144.4 Ų144.496%0.95577%0.767SS**  trans75.896.2156.9-101.8178.5177.2-177-0.6119.6
248A37.3Very low38.2Very low99 Ų99141.7 Ų141.782%0.81876%0.762SS**  -159.8135.1120.700000109.7S250A248-S250 PolarHBondContact O-N 2.96Å
249Q40.1Very low38.3Very low205 Ų205140.1 Ų140.196%0.95875%0.747SS**  trans-66107.6-178.1-71165.8-31.800110.8
250S39.5Very low38.7Very low112 Ų112133.3 Ų133.378%0.78372%0.718SS**  trans-154.2120.9157-168.70000110.8A248 R252A248-S250 PolarHBondContact O-N 2.96Å; S250-R252 PolarHBondContact O-N 3.18Å
251K45.2Very low39Very low206 Ų206135.2 Ų135.290%0.89672%0.72SS**SBendtrans-73.383.8-179.7-70.4178177.5177.50109.8
252R42.5Very low39.4Very low234 Ų234132.3 Ų132.388%0.88371%0.709SS**SBendtrans-170.1112.2153.6-100.2158.5-163.2-149.95.9107.4S250 A254S250-R252 PolarHBondContact O-N 3.18Å; R252-A254 PolarHBondContact O-N 3Å; R252-A254 VanDerWaalsContact O-N 3.11Å
253K36Very low39.8Very low220 Ų220127.1 Ų127.196%0.95768%0.675SS**  trans-66.9104.9-177.8-73.9177176.4178.10109.8
254A34.9Very low40.2Very low84 Ų84129.1 Ų129.169%0.69468%0.675SS**  trans-101.8122158.300000108R252 T256R252-A254 PolarHBondContact O-N 3Å; R252-A254 VanDerWaalsContact O-N 3.11Å; A254-T256 PolarHBondContact O-N 3.49Å
255P36.2Very low40.3Very low114 Ų114123.1 Ų123.174%0.7465%0.651SS**  trans-77.7108.8174.829-29.3000109.7L257P255-L257 PolarHBondContact O-N 3.28Å
256T39.1Very low40.4Very low123 Ų123127.2 Ų127.276%0.75566%0.655SS**  trans-72.3118.7166.6-49.60000108.7A254A254-T256 PolarHBondContact O-N 3.49Å
257L39.1Very low40.5Very low98 Ų98127.6 Ų127.651%0.51365%0.646SS.*  trans-101.8126.3178.8-68.2172.6000109.6P255P255-L257 PolarHBondContact O-N 3.28Å
258T40.6Very low40.5Very low106 Ų106121 Ų12165%0.6563%0.63SS**  trans-117.5119166-21.40000106.4
259L43.2Very low40.6Very low17 Ų17122.2 Ų122.29%0.08962%0.62CS.*  trans-115.6136-178.4-108.9156.5000109.3T42 I46 L240T42-L259 HydrophobicContact CG2-CD1 4.18Å; T42-L259 HydrophobicContact CG2-CD2 3.57Å; T42-L259 HydrophobicContact CG2-CG 4.43Å; I46-L259 HydrophobicContact CD1-CD1 4.4Å; L240-L259 HydrophobicContact CD1-CD2 4Å
260L45.3Very low40.7Very low22 Ų22117.4 Ų117.412%0.11560%0.6CS.*SBendtrans48.6116.2163.4-68.7169.5000115.6L41 T42 A238 G262 F263L41-L260 HydrophobicContact CB-CD1 4.45Å; T42-L260 HydrophobicContact CG2-CD1 3.55Å; A238-L260 HydrophobicContact CB-CD2 3.17Å; L260-G262 PolarHBondContact O-N 3.26Å; L260-F263 HydrophobicContact CB-CD2 3.65Å; L260-F263 HydrophobicContact CB-CE2 4.24Å; L260-F263 HydrophobicContact CD1-CD2 4.08Å; L260-F263 HydrophobicContact CD1-CE2 3.94Å; L260-F263 PolarHBondContact O-N 3.05Å
261K40.7Very low40.7Very low184 Ų184117.7 Ų117.780%0.859%0.588SS**THydrogen-bonded Turntrans-45.1103.7167.6-94.8-176.2171.2-177.40109
262G43.5Very low40.4Very low32 Ų32111.8 Ų111.833%0.3357%0.568SS.*THydrogen-bonded Turntrans134-35.5-174.100000114.2L53 L260 K264L53-G262 VanDerWaalsContact CD2-O 3.23Å; L53-G262 WeakPolarHBondContact CD2-O 3.48Å; L260-G262 PolarHBondContact O-N 3.26Å; G262-K264 PolarHBondContact O-N 3.43Å
263F43.9Very low40.3Very low21 Ų21103.1 Ų103.19%0.09255%0.545CS..  trans-90.787.4177.6-69.2-83.7000110.4V38 Y49 Y57 L260 I265V38-F263 HydrophobicContact CB-CE1 4.5Å; V38-F263 HydrophobicContact CG2-CD1 3.58Å; V38-F263 HydrophobicContact CG2-CE1 2.98Å; V38-F263 HydrophobicContact CG2-CE2 4.02Å; V38-F263 HydrophobicContact CG2-CG 4.32Å; V38-F263 HydrophobicContact CG2-CZ 3.21Å; Y49-F263 HydrophobicContact CD1-CD1 4.27Å; Y49-F263 HydrophobicContact CE1-CD1 4.35Å; Y57-F263 AromaticContact CD1-CE2 3.67Å; Y57-F263 HydrophobicContact CD1-CE2 3.67Å; Y57-F263 HydrophobicContact CD1-CZ 4.04Å; Y57-F263 HydrophobicContact CD2-CZ 4.34Å; Y57-F263 AromaticContact CE1-CD2 3.96Å; Y57-F263 HydrophobicContact CE1-CD2 3.96Å; Y57-F263 HydrophobicContact CE1-CE1 4.31Å; Y57-F263 AromaticContact CE1-CE2 3.14Å; Y57-F263 HydrophobicContact CE1-CE2 3.14Å; Y57-F263 AromaticContact CE1-CZ 3.37Å; Y57-F263 HydrophobicContact CE1-CZ 3.37Å; Y57-F263 HydrophobicContact CE2-CE1 4.44Å; Y57-F263 HydrophobicContact CE2-CE2 4.3Å; Y57-F263 AromaticContact CE2-CZ 3.68Å; Y57-F263 HydrophobicContact CE2-CZ 3.68Å; Y57-F263 HydrophobicContact CG-CE2 4.44Å; Y57-F263 HydrophobicContact CG-CZ 4.48Å; Y57-F263 AromaticContact CZ-CE1 3.83Å; Y57-F263 AromaticContact CZ-CE2 3.51Å; Y57-F263 AromaticContact CZ-CZ 3.14Å; Y57-F263 WeakPolarHBondContact OH-CE1 3.41Å; Y57-F263 VanDerWaalsContact OH-CZ 3.25Å; Y57-F263 WeakPolarHBondContact OH-CZ 3.21Å; L260-F263 HydrophobicContact CB-CD2 3.65Å; L260-F263 HydrophobicContact CB-CE2 4.24Å; L260-F263 HydrophobicContact CD1-CD2 4.08Å; L260-F263 HydrophobicContact CD1-CE2 3.94Å; L260-F263 PolarHBondContact O-N 3.05Å; F263-I265 PolarHBondContact O-N 2.92Å; F263-I265 VanDerWaalsContact O-N 3.17Å
264K43.7Very low40.6Very low155 Ų15594.1 Ų94.167%0.67451%0.513SS*.  trans-72.3104.7162.7-86.8-178.4176.6174.30108.2G262 F266G262-K264 PolarHBondContact O-N 3.43Å; K264-F266 HydrophobicContact CB-CE2 4.26Å; K264-F266 HydrophobicContact CD-CZ 4.24Å
265I38.6Very low41.1Very low69 Ų6994.9 Ų94.935%0.35450%0.498SS..  trans-80.8114.3160.1-37.2172.7000104.2I46 F263I46-I265 HydrophobicContact CD1-CD1 3.95Å; I46-I265 HydrophobicContact CG2-CD1 4.49Å; I46-I265 HydrophobicContact CG2-CG2 4.31Å; F263-I265 PolarHBondContact O-N 2.92Å; F263-I265 VanDerWaalsContact O-N 3.17Å
266F39.3Very low41.5Very low198 Ų19893.2 Ų93.287%0.86848%0.476SS*.  trans-77.80174.4-76.4-79.9000110.6D50 K264D50-F266 HydrophobicContact CB-CE2 4.5Å; K264-F266 HydrophobicContact CB-CE2 4.26Å; K264-F266 HydrophobicContact CD-CZ 4.24Å

Retrieved 266 of 266 residues in 292.5 ms (Link to these results)

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