A0A060D4A6_HUMAN Loading...

MHC class I antigen

AlphaFold DB (S6B303), UniProt , Accession A0A060D4A6, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low42.7Very low242 Ų242137.8 Ų137.8100%1.19272%0.715SS**  0102.50-76.5165.5174.300108.2
2R33.3Very low43Very low245 Ų245137.3 Ų137.393%0.92571%0.713SS**  trans-98.6107.4168.8-95.2-179174.6168.4-1.6106.3T4R2-T4 PolarHBondContact O-N 2.86Å
3V37.5Very low42.7Very low138 Ų138134.5 Ų134.584%0.83670%0.698SS**  trans-77.1104.2171.2178.50000106.5A5V3-A5 PolarHBondContact O-N 3.03Å
4T45.1Very low42Very low129 Ų129138.5 Ų138.579%0.79170%0.7SS**  trans-72.9109.8166.939.10000108.1R2R2-T4 PolarHBondContact O-N 2.86Å
5A43.2Very low42Very low68 Ų68131.6 Ų131.656%0.56268%0.677SS**  trans-63.1146.7168.900000110V3 R7V3-A5 PolarHBondContact O-N 3.03Å; A5-R7 PolarHBondContact O-N 3.03Å
6P44.5Very low42Very low76 Ų76126.9 Ų126.949%0.49466%0.664SS.*  trans-67.5127.9-177.7-7.222.6000109.4T8 V9P6-T8 PolarHBondContact O-N 3.27Å; P6-V9 HydrophobicContact CB-CG2 4.3Å; P6-V9 HydrophobicContact CG-CG2 4.06Å; P6-V9 PolarHBondContact O-N 3.3Å
7R47.2Very low41.9Very low222 Ų222123.9 Ų123.984%0.83865%0.652SS**Hα-helixtrans-51.2-25.2177.7-102.6176.3154.5129-5.9113.9A5 L11A5-R7 PolarHBondContact O-N 3.03Å; R7-L11 WeakPolarHBondContact O-CG 3.36Å; R7-L11 PolarHBondContact O-N 2.89Å
8T47.6Very low41.8Very low96 Ų96120.1 Ų120.159%0.58964%0.641SS**Hα-helixtrans-71.1-36.1176.734.50000113.8P6 L10 L11 L12P6-T8 PolarHBondContact O-N 3.27Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L11 PolarHBondContact O-N 3.02Å; T8-L12 PolarHBondContact O-N 3.34Å
9V47.3Very low41.7Very low76 Ų76118.3 Ų118.346%0.46163%0.631SS.*Hα-helixtrans-70.9-34.3177.5178.40000110.8P6 L13P6-V9 HydrophobicContact CB-CG2 4.3Å; P6-V9 HydrophobicContact CG-CG2 4.06Å; P6-V9 PolarHBondContact O-N 3.3Å; V9-L13 HydrophobicContact CG1-CD1 4.06Å; V9-L13 WeakPolarHBondContact O-CD1 3.23Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3.37Å
10L42.6Very low41.6Very low98 Ų98116.9 Ų116.951%0.51363%0.627SS.*Hα-helixtrans-67.5-37177.5-135.986.6000112.3T8 W14T8-L10 VanDerWaalsContact C-N 3.34Å; L10-W14 PolarHBondContact O-N 2.86Å; L10-W14 VanDerWaalsContact O-N 3.09Å
11L47.4Very low41.5Very low126 Ų126118.5 Ų118.566%0.6663%0.631SS**Hα-helixtrans-72.7-38.6179.9-74.2165.5000112.8R7 T8 W14 G15R7-L11 WeakPolarHBondContact O-CG 3.36Å; R7-L11 PolarHBondContact O-N 2.89Å; T8-L11 PolarHBondContact O-N 3.02Å; L11-W14 PolarHBondContact O-N 3.05Å; L11-G15 PolarHBondContact O-N 3.28Å
12L45.8Very low42.1Very low132 Ų132111.4 Ų111.469%0.69160%0.601SS**Hα-helixtrans-66.7-38.2175.3-73.2167.9000112T8 G15 A16T8-L12 PolarHBondContact O-N 3.34Å; L12-G15 PolarHBondContact O-N 3Å; L12-A16 WeakPolarHBondContact O-CB 3.42Å; L12-A16 PolarHBondContact O-N 2.84Å
13L38.8Very low42.8Very low101 Ų101101.7 Ų101.753%0.52957%0.565SS.*Hα-helixtrans-66.2-37.6173.5-76.5164.7000111.9V9 V17V9-L13 HydrophobicContact CG1-CD1 4.06Å; V9-L13 WeakPolarHBondContact O-CD1 3.23Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3.37Å; L13-V17 VanDerWaalsContact O-CB 3.27Å; L13-V17 WeakPolarHBondContact O-CB 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.38Å; L13-V17 PolarHBondContact O-N 2.86Å
14W33.6Very low43.7Very low190 Ų19098.1 Ų98.172%0.7255%0.549SS*.Hα-helixtrans-70.8-36.3175.8-80.143.3000112.5L10 L11 A18L10-W14 PolarHBondContact O-N 2.86Å; L10-W14 VanDerWaalsContact O-N 3.09Å; L11-W14 PolarHBondContact O-N 3.05Å; W14-A18 WeakPolarHBondContact O-CB 3.41Å; W14-A18 PolarHBondContact O-N 3.23Å
15G41.4Very low45.2Very low35 Ų3593.2 Ų93.236%0.36153%0.525SS..Hα-helixtrans-63.7-45.4172.500000112.4L11 L12 L19L11-G15 PolarHBondContact O-N 3.28Å; L12-G15 PolarHBondContact O-N 3Å; G15-L19 WeakPolarHBondContact O-CB 3.47Å; G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 PolarHBondContact O-N 3.1Å; G15-L19 VanDerWaalsContact O-N 3.08Å
16A42.1Very low47.5Very low56 Ų5692.7 Ų92.746%0.46352%0.517SS..Hα-helixtrans-67.9-40.3177.300000112.8L12 L19 T20L12-A16 WeakPolarHBondContact O-CB 3.42Å; L12-A16 PolarHBondContact O-N 2.84Å; A16-L19 PolarHBondContact O-N 3.47Å; A16-T20 WeakPolarHBondContact O-CG2 3.26Å; A16-T20 PolarHBondContact O-N 3.48Å; A16-T20 PolarHBondContact O-OG1 2.65Å
17V41.3Very low50Low77 Ų7790.6 Ų90.647%0.46750%0.5SS..Hα-helixtrans-69.4-41177.9172.50000111.4L13 L19 T20 E21L13-V17 VanDerWaalsContact O-CB 3.27Å; L13-V17 WeakPolarHBondContact O-CB 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.38Å; L13-V17 PolarHBondContact O-N 2.86Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.1Å; V17-T20 WeakPolarHBondContact CA-OG1 3.47Å; V17-T20 PolarHBondContact O-N 2.87Å; V17-T20 PolarHBondContact O-OG1 3.28Å; V17-E21 PolarHBondContact O-N 3.11Å
18A39Very low52.4Low54 Ų5481.3 Ų81.345%0.44647%0.469SS..Hα-helixtrans-63.3-39.7175.800000111.9W14 E21 T22W14-A18 WeakPolarHBondContact O-CB 3.41Å; W14-A18 PolarHBondContact O-N 3.23Å; A18-E21 PolarHBondContact O-N 2.82Å; A18-T22 WeakPolarHBondContact O-CG2 3.46Å; A18-T22 PolarHBondContact O-N 2.85Å; A18-T22 PolarHBondContact O-OG1 3.39Å
19L39.8Very low54.8Low87 Ų8776.8 Ų76.846%0.45544%0.441SS..Hα-helixtrans-70.1-28.9174-95134.8000113G15 A16 V17 T22 W23G15-L19 WeakPolarHBondContact O-CB 3.47Å; G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 PolarHBondContact O-N 3.1Å; G15-L19 VanDerWaalsContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 3.47Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.1Å; L19-T22 PolarHBondContact O-OG1 2.83Å; L19-W23 PolarHBondContact O-NE1 2.93Å
20T40.7Very low57.3Low89 Ų8975.6 Ų75.655%0.54643%0.429SS..Hα-helixtrans-77.3-30.8173.950.80000113.2A16 V17A16-T20 WeakPolarHBondContact O-CG2 3.26Å; A16-T20 PolarHBondContact O-N 3.48Å; A16-T20 PolarHBondContact O-OG1 2.65Å; V17-T20 WeakPolarHBondContact CA-OG1 3.47Å; V17-T20 PolarHBondContact O-N 2.87Å; V17-T20 PolarHBondContact O-OG1 3.28Å
21E39.1Very low59.9Low152 Ų15271.3 Ų71.371%0.7141%0.406SS*.Hα-helixtrans-74-25.7176.3-83.7-17115800113.1V17 A18 W23V17-E21 PolarHBondContact O-N 3.11Å; A18-E21 PolarHBondContact O-N 2.82Å; E21-W23 VanDerWaalsContact C-N 3.32Å; E21-W23 PolarHBondContact O-N 3.37Å
22T46.9Very low62.4Low92 Ų9269.3 Ų69.356%0.56439%0.392SS*.THydrogen-bonded Turntrans-76.5-13.3-177.650.40000114.8A18 L19A18-T22 WeakPolarHBondContact O-CG2 3.46Å; A18-T22 PolarHBondContact O-N 2.85Å; A18-T22 PolarHBondContact O-OG1 3.39Å; L19-T22 PolarHBondContact O-OG1 2.83Å
23W47.9Very low64.9Low42 Ų4263.3 Ų63.316%0.15936%0.36CS..THydrogen-bonded Turntrans-98.6-30.8-171.8-69.155.8000113L19 E21 G25 E236 E288L19-W23 PolarHBondContact O-NE1 2.93Å; E21-W23 VanDerWaalsContact C-N 3.32Å; E21-W23 PolarHBondContact O-N 3.37Å; W23-G25 PolarHBondContact O-N 2.63Å; W23-G25 VanDerWaalsContact O-N 3.17Å; W23-E236 HydrophobicContact CE3-CB 4.38Å; W23-E236 HydrophobicContact CE3-CG 4.23Å; W23-E236 HydrophobicContact CH2-CB 3.95Å; W23-E236 HydrophobicContact CH2-CG 3.39Å; W23-E236 HydrophobicContact CZ2-CG 3.92Å; W23-E236 HydrophobicContact CZ3-CB 3.66Å; W23-E236 HydrophobicContact CZ3-CG 3.56Å; W23-E236 VanDerWaalsContact CZ3-O 3.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.49Å; W23-E288 HydrophobicContact CB-CB 4.36Å; W23-E288 HydrophobicContact CB-CG 4.28Å; W23-E288 HydrophobicContact CE3-CB 4.15Å; W23-E288 VanDerWaalsContact O-CD 3.32Å
24A56.5Low67.8Low62 Ų6260.1 Ų60.151%0.51235%0.345SS..SBendtrans-79.6105.1-176.200000111.1
25G76.4Confident70.9Confident27 Ų2751.1 Ų51.128%0.27831%0.311SS..SBendtrans978.3159.900000117.4W23 P129W23-G25 PolarHBondContact O-N 2.63Å; W23-G25 VanDerWaalsContact O-N 3.17Å; G25-P129 VanDerWaalsContact O-CA 3.25Å; G25-P129 WeakPolarHBondContact O-CA 3.24Å
26S91.6Very high73.6Confident57 Ų5751.9 Ų51.940%0.39931%0.306SS..  trans-82.7142.3164.4630000110.7L127S26-L127 VanDerWaalsContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CB-O 3.48Å
27H96.4Very high76.2Confident32 Ų3250.1 Ų50.115%0.14829%0.29CS..EExtended strand (participates in β ladder)trans-135.1153.6179.2-68-76.1000110.9D53 D126 L127 L192 L196H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.4Å; H27-D53 IonicContact CE1-OD2 2.66Å; H27-D53 IonicContact CG-OD2 3.65Å; H27-D53 IonicContact ND1-OD1 3.5Å; H27-D53 IonicContact ND1-OD2 3.73Å; H27-D53 PolarHBondContact ND1-OD2 3.25Å; H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.25Å; H27-L127 PolarHBondContact N-O 3.14Å; H27-L127 PolarHBondContact O-N 2.77Å; H27-L192 HydrophobicContact CB-CD1 4.46Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.48Å
28S98Very high78.8Confident26 Ų2650 Ų5018%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-132.3149.9178.466.70000112V52 D53 C125 D126S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; S28-D53 PolarHBondContact N-OD1 2.71Å; S28-D53 PolarHBondContact O-N 3.15Å; S28-C125 WeakPolarHBondContact CA-O 3.38Å; S28-D126 WeakPolarHBondContact CB-OD1 3.37Å
29M98.7Very high81.3Confident1 Ų150.1 Ų50.11%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-122.7121.7167.7-17617162.200108.2Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195M29-Y31 HydrophobicContact CE-CE2 4.35Å; M29-Y31 HydrophobicContact CG-CE2 4.22Å; M29-Y31 HydrophobicContact SD-CE2 4.14Å; M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.21Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact CG-CZ 4.48Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.05Å; M29-C125 PolarHBondContact N-O 2.92Å; M29-C125 PolarHBondContact O-N 3.06Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.45Å; M29-C188 WeakPolarHBondContact CE-SG 3.38Å; M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.42Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.46Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30R98.7Very high83.8Confident51 Ų5150.2 Ų50.219%0.19230%0.299CS..EExtended strand (participates in β ladder)trans-129.6135.9-176.9-57.7-62.2-175.578.85.6110.8F32 G50 Y51 D126 H137R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.43Å; R30-Y51 PolarHBondContact N-O 3.23Å; R30-Y51 PolarHBondContact O-N 2.83Å; R30-D126 IonicContact CZ-OD1 3.33Å; R30-D126 IonicContact NE-OD1 3.67Å; R30-D126 PolarHBondContact NE-OD1 3.07Å; R30-D126 VanDerWaalsContact NE-OD1 3.12Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 3.34Å; R30-D126 PolarHBondContact NH2-OD1 2.88Å; R30-D126 IonicContact NH2-OD2 2.72Å; R30-D126 PolarHBondContact NH2-OD2 3.43Å; R30-D126 VanDerWaalsContact NH2-OD2 3.09Å; R30-H137 PolarHBondContact NH2-NE2 2.94Å; R30-H137 VanDerWaalsContact NH2-NE2 3.13Å
31Y98.8Very high86.3Confident9 Ų955.9 Ų55.94%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-111.5135168.5-72.4-88.7000109.6M29 Y33 V49 F57 V58 F91 M122 Y123M29-Y31 HydrophobicContact CE-CE2 4.35Å; M29-Y31 HydrophobicContact CG-CE2 4.22Å; M29-Y31 HydrophobicContact SD-CE2 4.14Å; Y31-Y33 HydrophobicContact CD1-CE1 4.4Å; Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.43Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 HydrophobicContact CE2-CZ 4.42Å; Y31-F57 AromaticContact CZ-CZ 3.7Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; Y31-V58 HydrophobicContact CE1-CG2 3.9Å; Y31-F91 HydrophobicContact CD1-CZ 4.49Å; Y31-F91 HydrophobicContact CE1-CZ 4.35Å; Y31-M122 WeakPolarHBondContact O-CA 3.46Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.82Å; Y31-Y123 HydrophobicContact CD2-CE2 3.82Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.03Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.29Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.32Å; Y31-Y123 PolarHBondContact O-N 3.05Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32F98.9Very high88.8Confident84 Ų8451.4 Ų51.437%0.36831%0.305SS..EExtended strand (participates in β ladder)trans-119.5118.6177.7-57.6-94.7000109.1R30 A48 V49 Y51 R121 M122R30-F32 HydrophobicContact CB-CD2 4.42Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; F32-A48 WeakPolarHBondContact O-CA 3.3Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.11Å; F32-V49 PolarHBondContact O-N 3.01Å; F32-Y51 HydrophobicContact CD2-CD2 4.08Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; F32-R121 WeakPolarHBondContact CA-O 3.21Å; F32-M122 HydrophobicContact CD1-CB 3.97Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.97Å
33Y98.8Very high91.1Very high5 Ų551.1 Ų51.12%0.0230%0.298CS..EExtended strand (participates in β ladder)trans-108.1138.8176.9-62.7-3000109Y31 F46 I47 A48 F91 Y98 Q120 R121 Y123Y31-Y33 HydrophobicContact CD1-CE1 4.4Å; Y33-F46 HydrophobicContact CD1-CZ 4.29Å; Y33-F46 HydrophobicContact CD2-CE2 4.09Å; Y33-F46 AromaticContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CE2-CZ 4.28Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.82Å; Y33-F46 HydrophobicContact CG-CZ 3.82Å; Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.23Å; Y33-A48 HydrophobicContact CD1-CB 3.45Å; Y33-A48 VanDerWaalsContact CD1-CB 3.45Å; Y33-A48 HydrophobicContact CE1-CB 3.65Å; Y33-A48 HydrophobicContact CG-CB 4.34Å; Y33-F91 HydrophobicContact CE1-CD1 4.23Å; Y33-F91 AromaticContact CE1-CE1 3.6Å; Y33-F91 HydrophobicContact CE1-CE1 3.6Å; Y33-F91 AromaticContact CZ-CE1 3.69Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.07Å; Y33-Y98 AromaticContact CD2-CE2 3.76Å; Y33-Y98 HydrophobicContact CD2-CE2 3.76Å; Y33-Y98 AromaticContact CD2-CZ 3.98Å; Y33-Q120 CarbonylContact O-C 3.54Å; Y33-Q120 VanDerWaalsContact O-CA 3.25Å; Y33-Q120 WeakPolarHBondContact O-CA 3.49Å; Y33-R121 PolarHBondContact N-O 2.92Å; Y33-R121 PolarHBondContact O-N 3.47Å; Y33-Y123 HydrophobicContact CD1-CE1 4.42Å; Y33-Y123 HydrophobicContact CD2-CE1 4.4Å; Y33-Y123 AromaticContact CE1-CE1 3.75Å; Y33-Y123 HydrophobicContact CE1-CE1 3.75Å; Y33-Y123 AromaticContact CE2-CE1 3.79Å; Y33-Y123 HydrophobicContact CE2-CE1 3.79Å; Y33-Y123 AromaticContact CZ-CE1 3.42Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.42Å; Y33-Y123 AromaticContact CZ-CZ 3.9Å; Y33-Y123 WeakPolarHBondContact OH-CE1 3.36Å; Y33-Y123 PolarHBondContact OH-OH 2.71Å
34T98.8Very high93.4Very high34 Ų3450.2 Ų50.221%0.20930%0.297CS..EExtended strand (participates in β ladder)trans-135121.9174.3-57.70000108.9M36 F46 I47 I118 I119 Q120T34-M36 HydrophobicContact CG2-CE 4.09Å; T34-M36 HydrophobicContact CG2-CG 4.03Å; T34-M36 HydrophobicContact CG2-SD 4.19Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; T34-I47 PolarHBondContact N-O 3.05Å; T34-I47 PolarHBondContact O-N 2.92Å; T34-I118 HydrophobicContact CG2-CG2 3.88Å; T34-I119 WeakPolarHBondContact CA-O 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.14Å
35A98.5Very high95.4Very high1 Ų151.1 Ų51.11%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-116.5126.2174.300000109.8R45 F46 Y98 L102 I118 I119A35-R45 CarbonylContact C-O 3.52Å; A35-R45 VanDerWaalsContact CA-O 3.31Å; A35-R45 WeakPolarHBondContact CA-O 3.35Å; A35-F46 HydrophobicContact CB-CD2 4.21Å; A35-Y98 HydrophobicContact CB-CD1 3.65Å; A35-Y98 HydrophobicContact CB-CG 3.85Å; A35-L102 HydrophobicContact CB-CD1 4.14Å; A35-I118 CarbonylContact O-C 3.51Å; A35-I118 WeakPolarHBondContact O-CA 3.46Å; A35-I119 PolarHBondContact N-O 3.24Å; A35-I119 PolarHBondContact O-N 3.4Å
36M98.3Very high96.4Very high52 Ų5249.9 Ų49.926%0.25627%0.274SS..EExtended strand (participates in β ladder)trans-122.7117.2-175.7-64.2159.3-77.200109.7T34 P44 R45 I47 H117 I118T34-M36 HydrophobicContact CG2-CE 4.09Å; T34-M36 HydrophobicContact CG2-CG 4.03Å; T34-M36 HydrophobicContact CG2-SD 4.19Å; M36-P44 CarbonylContact O-C 3.48Å; M36-P44 WeakPolarHBondContact O-CA 3.4Å; M36-P44 WeakPolarHBondContact O-CB 3.38Å; M36-R45 HydrophobicContact CE-CB 4.31Å; M36-R45 HydrophobicContact CE-CG 4.3Å; M36-R45 PolarHBondContact N-O 2.97Å; M36-R45 PolarHBondContact O-N 3.25Å; M36-I47 HydrophobicContact CE-CD1 3.86Å; M36-I47 HydrophobicContact CE-CG1 4.29Å; M36-H117 WeakPolarHBondContact CA-O 3.27Å; M36-I118 HydrophobicContact CG-CB 4.5Å; M36-I118 HydrophobicContact CG-CD1 4.16Å; M36-I118 HydrophobicContact CG-CG1 3.97Å; M36-I118 HydrophobicContact CG-CG2 4.02Å
37S97.5Very high96.8Very high19 Ų1948.9 Ų48.913%0.13326%0.264CS..  trans-69.6148.8169.874.10000110.1S116 H117S37-S116 PolarHBondContact O-OG 2.87Å; S37-H117 PolarHBondContact N-O 3.15Å; S37-H117 PolarHBondContact OG-N 3.28Å; S37-H117 PolarHBondContact OG-O 3.4Å
38R95.6Very high96.9Very high75 Ų7547.4 Ų47.428%0.28326%0.257SS..  trans-141.572.1179.454.1175175.8-160.3-12110.8G40 R41 E43 D63R38-G40 PolarHBondContact O-N 3.26Å; R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.35Å; R38-R41 HydrophobicContact CG-CB 4.18Å; R38-R41 PolarHBondContact NE-O 2.98Å; R38-R41 VanDerWaalsContact NE-O 3.17Å; R38-R41 PolarHBondContact O-N 2.95Å; R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 2.99Å; R38-E43 PolarHBondContact NH2-O 2.95Å; R38-D63 IonicContact CZ-OD1 3.68Å; R38-D63 IonicContact CZ-OD2 3.71Å; R38-D63 IonicContact NH1-OD1 2.78Å; R38-D63 PolarHBondContact NH1-OD1 3.16Å; R38-D63 IonicContact NH1-OD2 3.62Å; R38-D63 PolarHBondContact NH1-OD2 3.35Å; R38-D63 IonicContact NH2-OD1 3.12Å; R38-D63 PolarHBondContact NH2-OD1 3.16Å; R38-D63 IonicContact NH2-OD2 2.65Å
39P92.4Very high96.9Very high55 Ų5547.5 Ų47.536%0.35726%0.257SS..THydrogen-bonded Turntrans-49.5131-176.6-26.534.3000112.3R41 E113 G115P39-R41 PolarHBondContact O-N 3.26Å; P39-E113 WeakPolarHBondContact CB-O 3.42Å; P39-E113 VanDerWaalsContact CG-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.14Å; P39-G115 WeakPolarHBondContact CG-O 3.11Å
40G91.6Very high96.9Very high89 Ų8947.5 Ų47.592%0.91826%0.256SS*.THydrogen-bonded Turntrans74.41.5-177.600000115.9R38R38-G40 PolarHBondContact O-N 3.26Å
41R93.3Very high96.9Very high209 Ų20948.4 Ų48.479%0.78926%0.26SS*.SBendtrans-12424.1179.8-59.3-175.5-179173.90.8113.4R38 P39R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.35Å; R38-R41 HydrophobicContact CG-CB 4.18Å; R38-R41 PolarHBondContact NE-O 2.98Å; R38-R41 VanDerWaalsContact NE-O 3.17Å; R38-R41 PolarHBondContact O-N 2.95Å; P39-R41 PolarHBondContact O-N 3.26Å
42G91.6Very high96.9Very high58 Ų5848 Ų4860%0.59826%0.259SS*.SBendtrans95.7-163.3178.300000114
43E94.6Very high96.8Very high86 Ų8645.3 Ų45.340%0.40225%0.249SC..SBendtrans-69.5153.3-177.4-71.4-64.3163.700112.4R38 R45 R99R38-E43 VanDerWaalsContact CZ-O 3.25Å; R38-E43 PolarHBondContact NE-O 2.99Å; R38-E43 PolarHBondContact NH2-O 2.95Å; E43-R45 PolarHBondContact O-N 3.32Å; E43-R99 VanDerWaalsContact CD-CZ 3.47Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 3.47Å; E43-R99 IonicContact OE2-NE 2.62Å; E43-R99 PolarHBondContact OE2-NE 3.09Å; E43-R99 IonicContact OE2-NH2 3.1Å; E43-R99 PolarHBondContact OE2-NH2 3.15Å
44P96.4Very high96.7Very high22 Ų2248 Ų4814%0.14326%0.263CS..PPolyproline II helixtrans-52.7136.4175.1-26.635.5000112.4M36 R99 L102M36-P44 CarbonylContact O-C 3.48Å; M36-P44 WeakPolarHBondContact O-CA 3.4Å; M36-P44 WeakPolarHBondContact O-CB 3.38Å; P44-R99 HydrophobicContact CG-CB 4.45Å; P44-R99 HydrophobicContact CG-CG 4.27Å; P44-L102 HydrophobicContact CB-CD1 3.52Å; P44-L102 HydrophobicContact CG-CD1 3.73Å
45R98.1Very high96.7Very high81 Ų8147.1 Ų47.131%0.30626%0.258SS..EExtended strand (participates in β ladder)trans-81.1132.3174.3-176.5-178.7-176-179.3-1.5109.1A35 M36 E43 I47 D61 S62 D63A35-R45 CarbonylContact C-O 3.52Å; A35-R45 VanDerWaalsContact CA-O 3.31Å; A35-R45 WeakPolarHBondContact CA-O 3.35Å; M36-R45 HydrophobicContact CE-CB 4.31Å; M36-R45 HydrophobicContact CE-CG 4.3Å; M36-R45 PolarHBondContact N-O 2.97Å; M36-R45 PolarHBondContact O-N 3.25Å; E43-R45 PolarHBondContact O-N 3.32Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; R45-D61 IonicContact CZ-OD1 2.82Å; R45-D61 IonicContact CZ-OD2 3.77Å; R45-D61 IonicContact NE-OD1 2.8Å; R45-D61 PolarHBondContact NE-OD1 2.85Å; R45-D61 IonicContact NE-OD2 3.85Å; R45-D61 IonicContact NH2-OD1 3.68Å; R45-D61 PolarHBondContact NH2-OD1 2.59Å; R45-D61 IonicContact NH2-OD2 3.71Å; R45-D61 PolarHBondContact NH2-OD2 3.42Å; R45-S62 WeakPolarHBondContact CA-OG 3.45Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.39Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 2.63Å
46F98.6Very high96.7Very high2 Ų249.6 Ų49.61%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-116.2127.2175.9178.2-97.7000110.1Y33 T34 A35 A48 F60 S62 F91 N94 T95 Y98Y33-F46 HydrophobicContact CD1-CZ 4.29Å; Y33-F46 HydrophobicContact CD2-CE2 4.09Å; Y33-F46 AromaticContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CE2-CZ 4.28Å; Y33-F46 HydrophobicContact CG-CE2 4.09Å; Y33-F46 AromaticContact CG-CZ 3.82Å; Y33-F46 HydrophobicContact CG-CZ 3.82Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.21Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.04Å; F46-F60 AromaticContact CD1-CD1 3.83Å; F46-F60 HydrophobicContact CD1-CD1 3.83Å; F46-F60 AromaticContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CE1-CD1 4.1Å; F46-F60 HydrophobicContact CE1-CE1 4.43Å; F46-S62 PolarHBondContact N-OG 3.18Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 2.85Å; F46-F91 HydrophobicContact CE1-CB 4.23Å; F46-F91 HydrophobicContact CE1-CD1 4.24Å; F46-N94 HydrophobicContact CE1-CB 4.21Å; F46-N94 HydrophobicContact CE2-CB 4.23Å; F46-N94 HydrophobicContact CZ-CB 3.75Å; F46-T95 HydrophobicContact CB-CG2 3.94Å; F46-T95 VanDerWaalsContact CD1-OG1 3.27Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.39Å; F46-Y98 AromaticContact CD2-CD2 3.97Å; F46-Y98 HydrophobicContact CD2-CD2 3.97Å; F46-Y98 HydrophobicContact CD2-CG 4.11Å; F46-Y98 AromaticContact CE2-CD2 3.48Å; F46-Y98 HydrophobicContact CE2-CD2 3.48Å; F46-Y98 VanDerWaalsContact CE2-CD2 3.48Å; F46-Y98 AromaticContact CE2-CE2 3.77Å; F46-Y98 HydrophobicContact CE2-CE2 3.77Å; F46-Y98 HydrophobicContact CE2-CG 4.02Å; F46-Y98 HydrophobicContact CZ-CD2 4.42Å
47I98.8Very high96.7Very high36 Ų3647.1 Ų47.119%0.18526%0.257CS..EExtended strand (participates in β ladder)trans-123.7133.5175.3-57.1175.4000107.6Y33 T34 M36 R45 V49 F60Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.23Å; T34-I47 PolarHBondContact N-O 3.05Å; T34-I47 PolarHBondContact O-N 2.92Å; M36-I47 HydrophobicContact CE-CD1 3.86Å; M36-I47 HydrophobicContact CE-CG1 4.29Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å
48A98.8Very high96.7Very high0 Ų046.3 Ų46.30%025%0.251CS..EExtended strand (participates in β ladder)trans-125.8137.417000000109.8F32 Y33 F46 R59 F60 F91F32-A48 WeakPolarHBondContact O-CA 3.3Å; Y33-A48 HydrophobicContact CD1-CB 3.45Å; Y33-A48 VanDerWaalsContact CD1-CB 3.45Å; Y33-A48 HydrophobicContact CE1-CB 3.65Å; Y33-A48 HydrophobicContact CG-CB 4.34Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.04Å; A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 2.98Å; A48-F60 HydrophobicContact CB-CB 4.3Å; A48-F60 PolarHBondContact N-O 3.34Å; A48-F60 PolarHBondContact O-N 2.81Å; A48-F91 HydrophobicContact CB-CD1 3.67Å; A48-F91 HydrophobicContact CB-CE1 3.57Å; A48-F91 HydrophobicContact CB-CG 4.34Å; A48-F91 HydrophobicContact CB-CZ 4.14Å
49V98.9Very high96.9Very high29 Ų2947 Ų4718%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-131.8143.9172.8-630000109.5Y31 F32 I47 Y51 Q56 V58 R59Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.43Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.11Å; F32-V49 PolarHBondContact O-N 3.01Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.79Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; V49-V58 WeakPolarHBondContact CA-O 3.29Å; V49-R59 HydrophobicContact CG1-CB 4.45Å; V49-R59 HydrophobicContact CG1-CG 4.24Å
50G98.8Very high97.2Very high0 Ų044.5 Ų44.50%024%0.237CC..EExtended strand (participates in β ladder)trans-119.3138.3176.200000110.4R30 Q56 F57 V58R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.43Å; G50-Q56 WeakPolarHBondContact O-CA 3.25Å; G50-F57 WeakPolarHBondContact O-CD1 3.13Å; G50-F57 PolarHBondContact O-N 2.92Å; G50-V58 PolarHBondContact N-O 2.84Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.97Å
51Y98.8Very high97.5Very high70 Ų7041.1 Ų41.128%0.27520%0.198SC..EExtended strand (participates in β ladder)trans-125.4141.3178.3-76.7-102.3000110.5M29 R30 F32 V49 T55 Q56 F57M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.21Å; R30-Y51 PolarHBondContact N-O 3.23Å; R30-Y51 PolarHBondContact O-N 2.83Å; F32-Y51 HydrophobicContact CD2-CD2 4.08Å; F32-Y51 HydrophobicContact CE2-CD2 4.11Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.79Å; Y51-T55 WeakPolarHBondContact CA-O 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.33Å; Y51-Q56 HydrophobicContact CD2-CG 4.33Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Y51-F57 VanDerWaalsContact N-CE1 3.33Å
52V98.5Very high97.7Very high0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-109.9119.3156.8177.20000106.1S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; M29-V52 HydrophobicContact CG-CG2 4.36Å; V52-D54 PolarHBondContact O-N 3.45Å; V52-T55 PolarHBondContact N-O 2.69Å; V52-T55 WeakPolarHBondContact O-CB 3.35Å; V52-T55 PolarHBondContact O-N 2.77Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.95Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53D96.9Very high98Very high29 Ų2932.8 Ų32.816%0.15516%0.158CC..THydrogen-bonded Turntrans48.4-125.3-166.3-51.3-39.2000110.3H27 S28 T55H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.4Å; H27-D53 IonicContact CE1-OD2 2.66Å; H27-D53 IonicContact CG-OD2 3.65Å; H27-D53 IonicContact ND1-OD1 3.5Å; H27-D53 IonicContact ND1-OD2 3.73Å; H27-D53 PolarHBondContact ND1-OD2 3.25Å; S28-D53 PolarHBondContact N-OD1 2.71Å; S28-D53 PolarHBondContact O-N 3.15Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54D96.9Very high98.1Very high62 Ų6230.3 Ų30.333%0.33215%0.152SC..THydrogen-bonded Turntrans-91.39.8178.3-62.4-54000113.7V52 Y233 P234 A235 F265V52-D54 PolarHBondContact O-N 3.45Å; D54-Y233 HydrophobicContact CB-CE2 3.96Å; D54-P234 WeakPolarHBondContact OD2-CB 3.38Å; D54-A235 HydrophobicContact CB-CB 4.36Å; D54-A235 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 PolarHBondContact OD2-N 2.81Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.76Å
55T97.5Very high98.2Very high15 Ų1534.9 Ų34.99%0.09219%0.192CC..EExtended strand (participates in β ladder)trans-106.2112.7-176.6-58.60000111.6Y51 V52 D53 F57 L203 Y233Y51-T55 WeakPolarHBondContact CA-O 3.49Å; V52-T55 PolarHBondContact N-O 2.69Å; V52-T55 WeakPolarHBondContact O-CB 3.35Å; V52-T55 PolarHBondContact O-N 2.77Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 2.92Å; T55-L203 HydrophobicContact CG2-CD2 4.13Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.33Å; T55-Y233 PolarHBondContact OG1-OH 2.81Å
56Q98.1Very high98.1Very high53 Ų5334.6 Ų34.625%0.24820%0.202CC..EExtended strand (participates in β ladder)trans-67.3130.2173.3-166.3179.8-1.800110.6V49 G50 Y51 V58 R72V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; G50-Q56 WeakPolarHBondContact O-CA 3.25Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.33Å; Y51-Q56 HydrophobicContact CD2-CG 4.33Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 3.3Å; Q56-R72 HydrophobicContact CB-CB 4.46Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.3Å; Q56-R72 CarbonylContact O-C 3.6Å
57F98.4Very high98Very high0 Ų036.2 Ų36.20%021%0.213CC..EExtended strand (participates in β ladder)trans-120.3-24.1-179.374-83.9000114.5M29 Y31 G50 Y51 V52 T55 R72 A73 W75 I76 Y195M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact CG-CZ 4.48Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 HydrophobicContact CE2-CZ 4.42Å; Y31-F57 AromaticContact CZ-CZ 3.7Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.13Å; G50-F57 PolarHBondContact O-N 2.92Å; Y51-F57 VanDerWaalsContact N-CE1 3.33Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 2.92Å; F57-R72 PolarHBondContact O-N 3.22Å; F57-A73 HydrophobicContact CB-CB 4.22Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.1Å; F57-W75 AromaticContact CD2-CH2 3.9Å; F57-W75 HydrophobicContact CD2-CH2 3.9Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.2Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.05Å; F57-I76 HydrophobicContact CE2-CD1 4.38Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.24Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å
58V98.6Very high98Very high2 Ų241.5 Ų41.51%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-139154.5176.1-72.10000112.7Y31 V49 G50 Q56 T69 E70 I76 W84Y31-V58 HydrophobicContact CE1-CG2 3.9Å; V49-V58 WeakPolarHBondContact CA-O 3.29Å; G50-V58 PolarHBondContact N-O 2.84Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.97Å; Q56-V58 PolarHBondContact NE2-O 3.3Å; V58-T69 HydrophobicContact CB-CG2 4Å; V58-T69 HydrophobicContact CG1-CG2 3.99Å; V58-E70 WeakPolarHBondContact CA-O 3.24Å; V58-I76 HydrophobicContact CG1-CG1 4.38Å; V58-W84 HydrophobicContact CG1-CH2 4.25Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å
59R98.6Very high98Very high89 Ų8941.9 Ų41.934%0.33623%0.232SC..EExtended strand (participates in β ladder)trans-141.4145.7170178.5171.6166.5-172.8-2.5110.9A48 V49 D61 E70 R72A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 2.98Å; V49-R59 HydrophobicContact CG1-CB 4.45Å; V49-R59 HydrophobicContact CG1-CG 4.24Å; R59-D61 IonicContact CZ-OD2 2.69Å; R59-D61 IonicContact NH2-OD2 3.73Å; R59-D61 PolarHBondContact NH2-OD2 3.19Å; R59-E70 PolarHBondContact N-O 3.18Å; R59-E70 PolarHBondContact O-N 3.46Å; R59-R72 HydrophobicContact CB-CG 3.99Å
60F98.8Very high97.9Very high3 Ų343.4 Ų43.41%0.01324%0.238CC..EExtended strand (participates in β ladder)trans-132.1142.1164.9178-84.5000109.2F46 I47 A48 P67 F91 K92F46-F60 AromaticContact CD1-CD1 3.83Å; F46-F60 HydrophobicContact CD1-CD1 3.83Å; F46-F60 AromaticContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CD1-CE1 3.9Å; F46-F60 HydrophobicContact CE1-CD1 4.1Å; F46-F60 HydrophobicContact CE1-CE1 4.43Å; I47-F60 WeakPolarHBondContact CA-O 3.48Å; A48-F60 HydrophobicContact CB-CB 4.3Å; A48-F60 PolarHBondContact N-O 3.34Å; A48-F60 PolarHBondContact O-N 2.81Å; F60-P67 HydrophobicContact CE2-CB 3.92Å; F60-P67 HydrophobicContact CZ-CB 3.7Å; F60-F91 HydrophobicContact CB-CB 4.07Å; F60-F91 HydrophobicContact CB-CD2 3.55Å; F60-F91 HydrophobicContact CB-CE2 4.14Å; F60-F91 HydrophobicContact CB-CG 3.86Å; F60-F91 HydrophobicContact CD1-CB 3.72Å; F60-F91 HydrophobicContact CD1-CG 4.38Å; F60-F91 HydrophobicContact CD2-CB 3.57Å; F60-F91 AromaticContact CD2-CD2 3.94Å; F60-F91 HydrophobicContact CD2-CD2 3.94Å; F60-F91 HydrophobicContact CD2-CG 4.15Å; F60-F91 HydrophobicContact CE1-CB 4Å; F60-F91 HydrophobicContact CE2-CB 3.86Å; F60-F91 HydrophobicContact CG-CB 3.51Å; F60-F91 AromaticContact CG-CD2 3.86Å; F60-F91 HydrophobicContact CG-CD2 3.86Å; F60-F91 AromaticContact CG-CG 3.89Å; F60-F91 HydrophobicContact CG-CG 3.89Å; F60-F91 HydrophobicContact CZ-CB 4.06Å; F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.05Å
61D98.7Very high97.9Very high17 Ų1745.6 Ų45.69%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-139.3118.8177.5-162.4-27000109.3R45 R59 D63 A64R45-D61 IonicContact CZ-OD1 2.82Å; R45-D61 IonicContact CZ-OD2 3.77Å; R45-D61 IonicContact NE-OD1 2.8Å; R45-D61 PolarHBondContact NE-OD1 2.85Å; R45-D61 IonicContact NE-OD2 3.85Å; R45-D61 IonicContact NH2-OD1 3.68Å; R45-D61 PolarHBondContact NH2-OD1 2.59Å; R45-D61 IonicContact NH2-OD2 3.71Å; R45-D61 PolarHBondContact NH2-OD2 3.42Å; R59-D61 IonicContact CZ-OD2 2.69Å; R59-D61 IonicContact NH2-OD2 3.73Å; R59-D61 PolarHBondContact NH2-OD2 3.19Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 3.32Å; D61-A64 HydrophobicContact CB-CB 4.44Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 3.06Å
62S98.3Very high97.9Very high26 Ų2647.4 Ų47.418%0.18226%0.258CS..THydrogen-bonded Turntrans-66.2-21.5-178.668.90000113.4R45 F46 A64 P67R45-S62 WeakPolarHBondContact CA-OG 3.45Å; F46-S62 PolarHBondContact N-OG 3.18Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 2.85Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.3Å
63D97.5Very high97.8Very high67 Ų6747.6 Ų47.636%0.35826%0.26SS..THydrogen-bonded Turntrans-88.3-2.5179.5-79.25.2000112.6R38 R45 D61R38-D63 IonicContact CZ-OD1 3.68Å; R38-D63 IonicContact CZ-OD2 3.71Å; R38-D63 IonicContact NH1-OD1 2.78Å; R38-D63 PolarHBondContact NH1-OD1 3.16Å; R38-D63 IonicContact NH1-OD2 3.62Å; R38-D63 PolarHBondContact NH1-OD2 3.35Å; R38-D63 IonicContact NH2-OD1 3.12Å; R38-D63 PolarHBondContact NH2-OD1 3.16Å; R38-D63 IonicContact NH2-OD2 2.65Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.39Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 2.63Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 3.32Å
64A97.4Very high97.8Very high34 Ų3451.1 Ų51.128%0.28129%0.285SS..SBendtrans-62.2148.9173.300000110.9D61 S62 S66 P67D61-A64 HydrophobicContact CB-CB 4.44Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 3.06Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.43Å; A64-S66 VanDerWaalsContact O-N 3.17Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.45Å
65A96.9Very high97.8Very high118 Ų11849 Ų4998%0.97527%0.272SS*.SBendtrans-58.4-32.2-179.900000113
66S96.4Very high97.8Very high75 Ų7548.3 Ų48.352%0.52427%0.268SS..SBendtrans-133.790.5170.3-174.60000108.4A64 R68A64-S66 PolarHBondContact O-N 3.43Å; A64-S66 VanDerWaalsContact O-N 3.17Å; S66-R68 PolarHBondContact O-N 3.05Å
67P97.3Very high97.8Very high36 Ų3651.8 Ų51.823%0.23428%0.284CS..  trans-62.6112.6-175.4-24.835.5000111.5F60 S62 A64 K92F60-P67 HydrophobicContact CE2-CB 3.92Å; F60-P67 HydrophobicContact CZ-CB 3.7Å; S62-P67 WeakPolarHBondContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.45Å; P67-K92 WeakPolarHBondContact O-CE 3.49Å
68R98.1Very high97.6Very high147 Ų14757.5 Ų57.556%0.55531%0.31SS*.  trans-144.3159.8176.861.9-176.3162.5-176-4.1110.2S66 E70 T88S66-R68 PolarHBondContact O-N 3.05Å; R68-E70 HydrophobicContact CG-CG 4.16Å; R68-T88 HydrophobicContact CB-CG2 4.21Å
69T98.4Very high97.6Very high7 Ų758 Ų584%0.04331%0.313CS..  trans-71129169.8-47.60000108.5V58 W84 N87 T88 F91V58-T69 HydrophobicContact CB-CG2 4Å; V58-T69 HydrophobicContact CG1-CG2 3.99Å; T69-W84 HydrophobicContact CG2-CE3 4.04Å; T69-W84 HydrophobicContact CG2-CZ3 3.9Å; T69-N87 HydrophobicContact CG2-CB 4.35Å; T69-T88 PolarHBondContact N-OG1 3.08Å; T69-T88 WeakPolarHBondContact OG1-CA 3.31Å; T69-T88 PolarHBondContact OG1-N 3.5Å; T69-T88 VanDerWaalsContact OG1-N 3.12Å; T69-T88 PolarHBondContact OG1-OG1 3.43Å; T69-F91 HydrophobicContact CG2-CD2 4.29Å; T69-F91 HydrophobicContact CG2-CE2 3.75Å; T69-F91 VanDerWaalsContact OG1-CD2 3.25Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.15Å; T69-F91 WeakPolarHBondContact OG1-CE2 3.37Å
70E98.3Very high97.5Very high61 Ų6155.5 Ų55.529%0.28531%0.314SS..EExtended strand (participates in β ladder)trans-116.1137.4-177.9-62.7-179.4162.300110.2V58 R59 R68 R72V58-E70 WeakPolarHBondContact CA-O 3.24Å; R59-E70 PolarHBondContact N-O 3.18Å; R59-E70 PolarHBondContact O-N 3.46Å; R68-E70 HydrophobicContact CG-CG 4.16Å; E70-R72 IonicContact OE2-CZ 3.5Å; E70-R72 IonicContact OE2-NH2 3.37Å; E70-R72 PolarHBondContact OE2-NH2 2.79Å
71P98.3Very high97.5Very high46 Ų4659.9 Ų59.930%0.29934%0.343SS..EExtended strand (participates in β ladder)trans-65.914617328.2-33.8000110.9I76 E77 W84P71-I76 HydrophobicContact CB-CG2 3.69Å; P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 4.11Å; P71-W84 HydrophobicContact CB-CZ3 4.45Å; P71-W84 HydrophobicContact CG-CH2 4.28Å
72R97.8Very high97.4Very high108 Ų10867 Ų6741%0.40838%0.376SS..  trans-127.9-0.5173.9-62-64175.2-155.1-5.8113.6Q56 F57 R59 E70Q56-R72 HydrophobicContact CB-CB 4.46Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.3Å; Q56-R72 CarbonylContact O-C 3.6Å; F57-R72 PolarHBondContact O-N 3.22Å; R59-R72 HydrophobicContact CB-CG 3.99Å; E70-R72 IonicContact OE2-CZ 3.5Å; E70-R72 IonicContact OE2-NH2 3.37Å; E70-R72 PolarHBondContact OE2-NH2 2.79Å
73A96.7Very high97.4Very high4 Ų466.5 Ų66.53%0.03337%0.37CS..SBendtrans-138.4144.3173.900000110.6F57 W75 I76F57-A73 HydrophobicContact CB-CB 4.22Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.92Å; A73-I76 WeakPolarHBondContact O-CG2 3.46Å; A73-I76 PolarHBondContact O-N 3.33Å
74P96.9Very high97.4Very high104 Ų10465.3 Ų65.368%0.67536%0.36SS*.G310 helixtrans-58.8-38-177.6-26.735.1000113.8I76 E77P74-I76 PolarHBondContact O-N 2.83Å; P74-E77 WeakPolarHBondContact O-CB 3.47Å; P74-E77 PolarHBondContact O-N 3.4Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75W96.8Very high97.5Very high18 Ų1869.1 Ų69.17%0.06838%0.376CS..G310 helixtrans-69.2-15.1-176.353.3-106.5000114.3V52 F57 A73 Q78 Y195 N198 L203V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.95Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.39Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.1Å; F57-W75 AromaticContact CD2-CH2 3.9Å; F57-W75 HydrophobicContact CD2-CH2 3.9Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.2Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.92Å; W75-Q78 WeakPolarHBondContact O-CG 3.5Å; W75-Q78 PolarHBondContact O-NE2 2.72Å; W75-Y195 HydrophobicContact CH2-CG 4.28Å; W75-Y195 AromaticContact CZ3-CD1 3.83Å; W75-Y195 HydrophobicContact CZ3-CD1 3.83Å; W75-Y195 HydrophobicContact CZ3-CD2 4.41Å; W75-Y195 AromaticContact CZ3-CG 3.74Å; W75-Y195 HydrophobicContact CZ3-CG 3.74Å; W75-N198 WeakPolarHBondContact CB-O 3.4Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.36Å
76I97.9Very high97.5Very high0 Ų070.3 Ų70.30%036%0.355CS..G310 helixtrans-87.8-19.5174.1-163.570.4000111.8F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.05Å; F57-I76 HydrophobicContact CE2-CD1 4.38Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.24Å; V58-I76 HydrophobicContact CG1-CG1 4.38Å; P71-I76 HydrophobicContact CB-CG2 3.69Å; A73-I76 WeakPolarHBondContact O-CG2 3.46Å; A73-I76 PolarHBondContact O-N 3.33Å; P74-I76 PolarHBondContact O-N 2.83Å; I76-Q78 PolarHBondContact O-N 3.2Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.26Å; I76-E79 WeakPolarHBondContact O-CB 3.17Å; I76-E79 WeakPolarHBondContact O-CG 3.41Å; I76-E79 PolarHBondContact O-N 3.14Å; I76-Y83 HydrophobicContact CD1-CE1 4.2Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.48Å; I76-W84 WeakPolarHBondContact O-CZ2 3.5Å; I76-Y195 HydrophobicContact CD1-CD1 3.86Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å
77E96.9Very high97.6Very high126 Ų12667.8 Ų67.859%0.58934%0.336SS*.THydrogen-bonded Turntrans-64.4-22-176.3-64.2-178.9-176.600113.2P71 P74 E79P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P74-E77 WeakPolarHBondContact O-CB 3.47Å; P74-E77 PolarHBondContact O-N 3.4Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 3.13Å
78Q96Very high97.7Very high119 Ų11966.8 Ų66.856%0.55633%0.329SS*.THydrogen-bonded Turntrans-70.9-13.5175.571.1-173.1-4300114W75 I76 N198W75-Q78 WeakPolarHBondContact O-CG 3.5Å; W75-Q78 PolarHBondContact O-NE2 2.72Å; I76-Q78 PolarHBondContact O-N 3.2Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-N198 PolarHBondContact NE2-ND2 2.87Å
79E97.6Very high97.7Very high14 Ų1465.2 Ų65.27%0.06533%0.328CS..SBendtrans-65.9138176.8-65.9-60.8162.300111.1I76 E77 Y83 W84 R194 N198I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.26Å; I76-E79 WeakPolarHBondContact O-CB 3.17Å; I76-E79 WeakPolarHBondContact O-CG 3.41Å; I76-E79 PolarHBondContact O-N 3.14Å; E77-E79 PolarHBondContact O-N 3.13Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CE1 4.26Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CE1 4.35Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; E79-W84 HydrophobicContact CB-CZ2 4.47Å; E79-W84 PolarHBondContact O-NE1 2.87Å; E79-R194 IonicContact OE1-CZ 3.67Å; E79-R194 IonicContact OE1-NE 3.6Å; E79-R194 PolarHBondContact OE1-NE 2.93Å; E79-R194 IonicContact OE1-NH2 3.35Å; E79-R194 PolarHBondContact OE1-NH2 2.89Å; E79-R194 IonicContact OE2-CZ 2.94Å; E79-R194 IonicContact OE2-NE 3.95Å; E79-R194 IonicContact OE2-NH2 2.7Å; E79-R194 PolarHBondContact OE2-NH2 3.27Å; E79-N198 PolarHBondContact OE1-ND2 2.62Å
80G97.1Very high97.7Very high35 Ų3568 Ų6836%0.36134%0.342SS..  trans-70.1168.5-175.500000114.1E82 Y83 W84G80-E82 PolarHBondContact O-N 2.93Å; G80-E82 VanDerWaalsContact O-N 3.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.3Å; G80-Y83 PolarHBondContact O-N 3.42Å; G80-W84 VanDerWaalsContact O-CD1 3.23Å
81P97.6Very high97.7Very high95 Ų9565.2 Ų65.262%0.61733%0.329SS*.Hα-helixtrans-56.8-34.9-178.222.7-33.5000113.2Y83 W84 D85P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.31Å; P81-W84 PolarHBondContact O-N 3.13Å; P81-W84 VanDerWaalsContact O-N 3.12Å; P81-D85 WeakPolarHBondContact O-CB 3.16Å; P81-D85 PolarHBondContact O-N 3.4Å
82E97.8Very high97.7Very high167 Ų16767.2 Ų67.278%0.7833%0.333SS*.Hα-helixtrans-58.5-37.4177.9-63.8170.4-179.300112.8G80 R86G80-E82 PolarHBondContact O-N 2.93Å; G80-E82 VanDerWaalsContact O-N 3.17Å; E82-R86 WeakPolarHBondContact O-CB 3.31Å; E82-R86 PolarHBondContact O-N 3.34Å
83Y97.9Very high97.7Very high16 Ų1665.6 Ų65.66%0.06334%0.335CS..Hα-helixtrans-65.2-47.5175.6170.9-93.8000110.7I76 E79 G80 P81 N87 W191 Y195I76-Y83 HydrophobicContact CD1-CE1 4.2Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CD1 3.61Å; E79-Y83 HydrophobicContact CB-CE1 4.26Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CE1 4.35Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; G80-Y83 WeakPolarHBondContact O-CB 3.3Å; G80-Y83 PolarHBondContact O-N 3.42Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.31Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.3Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.47Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.38Å; Y83-N87 WeakPolarHBondContact O-CB 3.17Å; Y83-N87 PolarHBondContact O-N 3.39Å; Y83-N87 PolarHBondContact O-ND2 2.85Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.07Å; Y83-W191 AromaticContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CE2-CE3 4.45Å; Y83-W191 AromaticContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CZ2 4.36Å; Y83-W191 AromaticContact CE2-CZ3 3.95Å; Y83-W191 HydrophobicContact CE2-CZ3 3.95Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.45Å; Y83-Y195 PolarHBondContact OH-OH 3.27Å
84W98.4Very high97.7Very high41 Ų4166.5 Ų66.516%0.15534%0.339CS..Hα-helixtrans-66.9-42.1-178.2-62.9111.8000112.3V58 T69 P71 I76 E79 G80 P81 T88V58-W84 HydrophobicContact CG1-CH2 4.25Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å; T69-W84 HydrophobicContact CG2-CE3 4.04Å; T69-W84 HydrophobicContact CG2-CZ3 3.9Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 4.11Å; P71-W84 HydrophobicContact CB-CZ3 4.45Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.14Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.48Å; I76-W84 WeakPolarHBondContact O-CZ2 3.5Å; E79-W84 HydrophobicContact CB-CZ2 4.47Å; E79-W84 PolarHBondContact O-NE1 2.87Å; G80-W84 VanDerWaalsContact O-CD1 3.23Å; P81-W84 PolarHBondContact O-N 3.13Å; P81-W84 VanDerWaalsContact O-N 3.12Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.78Å; W84-T88 PolarHBondContact O-OG1 3.36Å
85D98.3Very high97.8Very high114 Ų11462.3 Ų62.361%0.6131%0.312SS*.Hα-helixtrans-66.3-46.3178.1-73-20.2000111P81 T88 Q89P81-D85 WeakPolarHBondContact O-CB 3.16Å; P81-D85 PolarHBondContact O-N 3.4Å; D85-T88 PolarHBondContact O-N 2.9Å; D85-Q89 WeakPolarHBondContact O-CB 3.42Å; D85-Q89 PolarHBondContact O-N 3.4Å
86R97.9Very high97.8Very high144 Ų14465.5 Ų65.554%0.54333%0.328SS..Hα-helixtrans-59.3-50.6177.2-179.6179.8175.3-177.7-1.2111.6E82 Q89 I90E82-R86 WeakPolarHBondContact O-CB 3.31Å; E82-R86 PolarHBondContact O-N 3.34Å; R86-Q89 PolarHBondContact O-N 3.26Å; R86-I90 HydrophobicContact CG-CD1 4.01Å; R86-I90 WeakPolarHBondContact O-CG1 3.43Å; R86-I90 PolarHBondContact O-N 3.12Å
87N97.9Very high97.8Very high22 Ų2268.5 Ų68.512%0.11835%0.346CS..Hα-helixtrans-66.7-38-179.3-78.2-73.7000112.1T69 Y83 Q89 I90 F91T69-N87 HydrophobicContact CG2-CB 4.35Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.3Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.47Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.38Å; Y83-N87 WeakPolarHBondContact O-CB 3.17Å; Y83-N87 PolarHBondContact O-N 3.39Å; Y83-N87 PolarHBondContact O-ND2 2.85Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 2.86Å; N87-I90 PolarHBondContact O-N 2.99Å; N87-F91 HydrophobicContact CB-CE2 4.32Å; N87-F91 WeakPolarHBondContact O-CD2 3.34Å; N87-F91 PolarHBondContact O-N 2.8Å
88T98.6Very high97.8Very high15 Ų1563.1 Ų63.19%0.09232%0.32CS..Hα-helixtrans-59.6-44.1174.2-65.80000111.1R68 T69 W84 D85 F91 K92R68-T88 HydrophobicContact CB-CG2 4.21Å; T69-T88 PolarHBondContact N-OG1 3.08Å; T69-T88 WeakPolarHBondContact OG1-CA 3.31Å; T69-T88 PolarHBondContact OG1-N 3.5Å; T69-T88 VanDerWaalsContact OG1-N 3.12Å; T69-T88 PolarHBondContact OG1-OG1 3.43Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.78Å; W84-T88 PolarHBondContact O-OG1 3.36Å; D85-T88 PolarHBondContact O-N 2.9Å; T88-F91 PolarHBondContact O-N 2.65Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.21Å; T88-K92 WeakPolarHBondContact O-CG 3.24Å; T88-K92 PolarHBondContact O-N 3Å
89Q98.4Very high97.8Very high114 Ų11459.7 Ų59.753%0.53330%0.302SS..Hα-helixtrans-65.7-40.3177.1-170.758.824.200111.8D85 R86 N87 F91 K92 T93D85-Q89 WeakPolarHBondContact O-CB 3.42Å; D85-Q89 PolarHBondContact O-N 3.4Å; R86-Q89 PolarHBondContact O-N 3.26Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 2.86Å; Q89-F91 PolarHBondContact O-N 2.78Å; Q89-K92 PolarHBondContact O-N 3.42Å; Q89-T93 PolarHBondContact O-N 2.84Å; Q89-T93 PolarHBondContact O-OG1 2.95Å
90I97.8Very high97.8Very high64 Ų6464.7 Ų64.733%0.32833%0.326SS..Hα-helixtrans-58.4-47.7174.6-71.1165.9000110.9R86 N87 T93 N94R86-I90 HydrophobicContact CG-CD1 4.01Å; R86-I90 WeakPolarHBondContact O-CG1 3.43Å; R86-I90 PolarHBondContact O-N 3.12Å; N87-I90 PolarHBondContact O-N 2.99Å; I90-T93 PolarHBondContact O-N 3.2Å; I90-N94 WeakPolarHBondContact O-CB 3.17Å; I90-N94 PolarHBondContact O-N 2.85Å; I90-N94 PolarHBondContact O-ND2 3.18Å
91F98.4Very high97.9Very high3 Ų364.9 Ų64.91%0.01332%0.321CS..Hα-helixtrans-69.3-32.9179.3-65.1-46.4000113.2Y31 Y33 F46 A48 F60 T69 N87 T88 Q89 N94 T95Y31-F91 HydrophobicContact CD1-CZ 4.49Å; Y31-F91 HydrophobicContact CE1-CZ 4.35Å; Y33-F91 HydrophobicContact CE1-CD1 4.23Å; Y33-F91 AromaticContact CE1-CE1 3.6Å; Y33-F91 HydrophobicContact CE1-CE1 3.6Å; Y33-F91 AromaticContact CZ-CE1 3.69Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.07Å; F46-F91 HydrophobicContact CE1-CB 4.23Å; F46-F91 HydrophobicContact CE1-CD1 4.24Å; A48-F91 HydrophobicContact CB-CD1 3.67Å; A48-F91 HydrophobicContact CB-CE1 3.57Å; A48-F91 HydrophobicContact CB-CG 4.34Å; A48-F91 HydrophobicContact CB-CZ 4.14Å; F60-F91 HydrophobicContact CB-CB 4.07Å; F60-F91 HydrophobicContact CB-CD2 3.55Å; F60-F91 HydrophobicContact CB-CE2 4.14Å; F60-F91 HydrophobicContact CB-CG 3.86Å; F60-F91 HydrophobicContact CD1-CB 3.72Å; F60-F91 HydrophobicContact CD1-CG 4.38Å; F60-F91 HydrophobicContact CD2-CB 3.57Å; F60-F91 AromaticContact CD2-CD2 3.94Å; F60-F91 HydrophobicContact CD2-CD2 3.94Å; F60-F91 HydrophobicContact CD2-CG 4.15Å; F60-F91 HydrophobicContact CE1-CB 4Å; F60-F91 HydrophobicContact CE2-CB 3.86Å; F60-F91 HydrophobicContact CG-CB 3.51Å; F60-F91 AromaticContact CG-CD2 3.86Å; F60-F91 HydrophobicContact CG-CD2 3.86Å; F60-F91 AromaticContact CG-CG 3.89Å; F60-F91 HydrophobicContact CG-CG 3.89Å; F60-F91 HydrophobicContact CZ-CB 4.06Å; T69-F91 HydrophobicContact CG2-CD2 4.29Å; T69-F91 HydrophobicContact CG2-CE2 3.75Å; T69-F91 VanDerWaalsContact OG1-CD2 3.25Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.15Å; T69-F91 WeakPolarHBondContact OG1-CE2 3.37Å; N87-F91 HydrophobicContact CB-CE2 4.32Å; N87-F91 WeakPolarHBondContact O-CD2 3.34Å; N87-F91 PolarHBondContact O-N 2.8Å; T88-F91 PolarHBondContact O-N 2.65Å; Q89-F91 PolarHBondContact O-N 2.78Å; F91-N94 PolarHBondContact O-N 3.11Å; F91-T95 PolarHBondContact O-N 3Å; F91-T95 PolarHBondContact O-OG1 3.29Å
92K98.1Very high97.9Very high88 Ų8860.8 Ų60.838%0.38329%0.294SS..Hα-helixtrans-64.4-43.5171.6-76.2179.1178.3177.60112F60 P67 T88 Q89 T95 Q96F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.05Å; P67-K92 WeakPolarHBondContact O-CE 3.49Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.21Å; T88-K92 WeakPolarHBondContact O-CG 3.24Å; T88-K92 PolarHBondContact O-N 3Å; Q89-K92 PolarHBondContact O-N 3.42Å; K92-T95 WeakPolarHBondContact O-CB 3.25Å; K92-T95 PolarHBondContact O-N 3.3Å; K92-Q96 PolarHBondContact O-N 3.2Å
93T98.1Very high97.8Very high74 Ų7459.2 Ų59.245%0.45428%0.281SS..Hα-helixtrans-63.6-42.4174-62.40000111.5Q89 I90 T95 Q96 T97Q89-T93 PolarHBondContact O-N 2.84Å; Q89-T93 PolarHBondContact O-OG1 2.95Å; I90-T93 PolarHBondContact O-N 3.2Å; T93-T95 VanDerWaalsContact C-N 3.33Å; T93-T95 PolarHBondContact O-N 2.8Å; T93-Q96 PolarHBondContact O-N 2.82Å; T93-T97 PolarHBondContact O-N 3.49Å; T93-T97 PolarHBondContact O-OG1 3.46Å
94N97.6Very high97.8Very high23 Ų2362.1 Ų62.112%0.12330%0.298CS..Hα-helixtrans-60.9-41.3174.4-84.2-59.1000111.5F46 I90 F91 Q96 T97 Y98F46-N94 HydrophobicContact CE1-CB 4.21Å; F46-N94 HydrophobicContact CE2-CB 4.23Å; F46-N94 HydrophobicContact CZ-CB 3.75Å; I90-N94 WeakPolarHBondContact O-CB 3.17Å; I90-N94 PolarHBondContact O-N 2.85Å; I90-N94 PolarHBondContact O-ND2 3.18Å; F91-N94 PolarHBondContact O-N 3.11Å; N94-Q96 PolarHBondContact O-N 3.48Å; N94-Q96 VanDerWaalsContact O-N 3.15Å; N94-T97 WeakPolarHBondContact O-CB 3.44Å; N94-T97 PolarHBondContact O-N 3.19Å; N94-Y98 HydrophobicContact CB-CD2 4.27Å; N94-Y98 HydrophobicContact CB-CE2 4.38Å; N94-Y98 VanDerWaalsContact O-CD2 3.27Å; N94-Y98 WeakPolarHBondContact O-CD2 3.19Å; N94-Y98 PolarHBondContact O-N 3.04Å
95T97.7Very high97.8Very high16 Ų1660.6 Ų60.610%0.09829%0.293CS..Hα-helixtrans-53-40.5176.4-58.20000111.8F46 F91 K92 T93 R99F46-T95 HydrophobicContact CB-CG2 3.94Å; F46-T95 VanDerWaalsContact CD1-OG1 3.27Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.39Å; F91-T95 PolarHBondContact O-N 3Å; F91-T95 PolarHBondContact O-OG1 3.29Å; K92-T95 WeakPolarHBondContact O-CB 3.25Å; K92-T95 PolarHBondContact O-N 3.3Å; T93-T95 VanDerWaalsContact C-N 3.33Å; T93-T95 PolarHBondContact O-N 2.8Å; T95-R99 PolarHBondContact O-N 2.84Å
96Q97.4Very high97.8Very high86 Ų8658.2 Ų58.240%0.40228%0.275SS..Hα-helixtrans-71-44.6175-56.3-52.9-49.800112.3K92 T93 N94 Y98 R99 E100K92-Q96 PolarHBondContact O-N 3.2Å; T93-Q96 PolarHBondContact O-N 2.82Å; N94-Q96 PolarHBondContact O-N 3.48Å; N94-Q96 VanDerWaalsContact O-N 3.15Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.17Å; Q96-R99 WeakPolarHBondContact O-CB 3.23Å; Q96-R99 PolarHBondContact O-N 2.85Å; Q96-R99 VanDerWaalsContact O-N 3.17Å; Q96-E100 PolarHBondContact O-N 2.89Å; Q96-E100 VanDerWaalsContact O-N 3.1Å
97T97.3Very high97.7Very high62 Ų6253.4 Ų53.438%0.3827%0.271SS..Hα-helixtrans-58.8-42.3179.1-55.80000111.8T93 N94 E100 S101T93-T97 PolarHBondContact O-N 3.49Å; T93-T97 PolarHBondContact O-OG1 3.46Å; N94-T97 WeakPolarHBondContact O-CB 3.44Å; N94-T97 PolarHBondContact O-N 3.19Å; T97-E100 PolarHBondContact O-N 3.29Å; T97-S101 WeakPolarHBondContact O-CB 3.39Å; T97-S101 PolarHBondContact O-N 2.84Å; T97-S101 PolarHBondContact O-OG 2.89Å
98Y97.5Very high97.7Very high13 Ų1355.1 Ų55.15%0.05128%0.276CS..Hα-helixtrans-72.5-31.4178.7-84.7-87.5000112.9Y33 A35 F46 N94 Q96 S101 L102 I119 R121Y33-Y98 AromaticContact CD2-CE2 3.76Å; Y33-Y98 HydrophobicContact CD2-CE2 3.76Å; Y33-Y98 AromaticContact CD2-CZ 3.98Å; A35-Y98 HydrophobicContact CB-CD1 3.65Å; A35-Y98 HydrophobicContact CB-CG 3.85Å; F46-Y98 AromaticContact CD2-CD2 3.97Å; F46-Y98 HydrophobicContact CD2-CD2 3.97Å; F46-Y98 HydrophobicContact CD2-CG 4.11Å; F46-Y98 AromaticContact CE2-CD2 3.48Å; F46-Y98 HydrophobicContact CE2-CD2 3.48Å; F46-Y98 VanDerWaalsContact CE2-CD2 3.48Å; F46-Y98 AromaticContact CE2-CE2 3.77Å; F46-Y98 HydrophobicContact CE2-CE2 3.77Å; F46-Y98 HydrophobicContact CE2-CG 4.02Å; F46-Y98 HydrophobicContact CZ-CD2 4.42Å; N94-Y98 HydrophobicContact CB-CD2 4.27Å; N94-Y98 HydrophobicContact CB-CE2 4.38Å; N94-Y98 VanDerWaalsContact O-CD2 3.27Å; N94-Y98 WeakPolarHBondContact O-CD2 3.19Å; N94-Y98 PolarHBondContact O-N 3.04Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.17Å; Y98-S101 PolarHBondContact O-N 2.85Å; Y98-L102 WeakPolarHBondContact O-CB 3.25Å; Y98-L102 WeakPolarHBondContact O-CG 3.46Å; Y98-L102 PolarHBondContact O-N 2.99Å; Y98-I119 HydrophobicContact CD1-CB 4.09Å; Y98-I119 HydrophobicContact CD1-CD1 4.29Å; Y98-I119 HydrophobicContact CD1-CG2 3.98Å; Y98-I119 HydrophobicContact CE1-CB 4.26Å; Y98-I119 HydrophobicContact CE1-CG2 3.7Å; Y98-R121 WeakPolarHBondContact OH-CB 3.33Å; Y98-R121 WeakPolarHBondContact OH-CD 3.49Å
99R97.2Very high97.7Very high48 Ų4857.6 Ų57.618%0.18128%0.284CS..Hα-helixtrans-60.8-46171176.4-169-62.3171.5-5.8111.2E43 P44 T95 Q96 R103E43-R99 VanDerWaalsContact CD-CZ 3.47Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 3.47Å; E43-R99 IonicContact OE2-NE 2.62Å; E43-R99 PolarHBondContact OE2-NE 3.09Å; E43-R99 IonicContact OE2-NH2 3.1Å; E43-R99 PolarHBondContact OE2-NH2 3.15Å; P44-R99 HydrophobicContact CG-CB 4.45Å; P44-R99 HydrophobicContact CG-CG 4.27Å; T95-R99 PolarHBondContact O-N 2.84Å; Q96-R99 WeakPolarHBondContact O-CB 3.23Å; Q96-R99 PolarHBondContact O-N 2.85Å; Q96-R99 VanDerWaalsContact O-N 3.17Å; R99-R103 PolarHBondContact O-N 3.29Å
100E97.4Very high97.6Very high118 Ų11859.3 Ų59.355%0.55130%0.297SS*.Hα-helixtrans-66-41.8175.5-69.1179.4-177.500111.6Q96 T97 L102 R103 N104Q96-E100 PolarHBondContact O-N 2.89Å; Q96-E100 VanDerWaalsContact O-N 3.1Å; T97-E100 PolarHBondContact O-N 3.29Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 2.98Å; E100-R103 WeakPolarHBondContact O-CB 3.36Å; E100-R103 PolarHBondContact O-N 3.47Å; E100-R103 VanDerWaalsContact O-N 3.13Å; E100-N104 PolarHBondContact O-N 2.84Å; E100-N104 PolarHBondContact O-ND2 3.17Å
101S97.8Very high97.6Very high39 Ų3959.2 Ų59.227%0.27330%0.295SS..Hα-helixtrans-60.1-41.5177.4-58.70000112T97 Y98 R103 N104 L105T97-S101 WeakPolarHBondContact O-CB 3.39Å; T97-S101 PolarHBondContact O-N 2.84Å; T97-S101 PolarHBondContact O-OG 2.89Å; Y98-S101 PolarHBondContact O-N 2.85Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 2.86Å; S101-N104 PolarHBondContact O-N 2.95Å; S101-L105 WeakPolarHBondContact O-CB 3.44Å; S101-L105 VanDerWaalsContact O-CG 3.31Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 2.83Å
102L98.1Very high97.5Very high9 Ų963 Ų635%0.04732%0.321CS..Hα-helixtrans-60.6-40.5175.2-80.7164.3000111.9A35 P44 Y98 E100 R106 H117 I119 Y142A35-L102 HydrophobicContact CB-CD1 4.14Å; P44-L102 HydrophobicContact CB-CD1 3.52Å; P44-L102 HydrophobicContact CG-CD1 3.73Å; Y98-L102 WeakPolarHBondContact O-CB 3.25Å; Y98-L102 WeakPolarHBondContact O-CG 3.46Å; Y98-L102 PolarHBondContact O-N 2.99Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 2.98Å; L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.36Å; L102-R106 VanDerWaalsContact O-N 3.13Å; L102-H117 HydrophobicContact CD2-CB 4.1Å; L102-I119 HydrophobicContact CB-CD1 4.27Å; L102-I119 HydrophobicContact CD2-CD1 3.79Å; L102-I119 HydrophobicContact CD2-CG1 3.66Å; L102-I119 HydrophobicContact CG-CD1 3.6Å; L102-I119 HydrophobicContact CG-CG1 4.04Å; L102-Y142 HydrophobicContact CD2-CE2 4.36Å
103R96.8Very high97.3Very high134 Ų13465 Ų6551%0.50633%0.333SS..Hα-helixtrans-67.2-43.5176.5-67.6175.4-174.1164.91.2111.6R99 E100 S101 G107R99-R103 PolarHBondContact O-N 3.29Å; E100-R103 WeakPolarHBondContact O-CB 3.36Å; E100-R103 PolarHBondContact O-N 3.47Å; E100-R103 VanDerWaalsContact O-N 3.13Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 2.86Å; R103-G107 PolarHBondContact O-N 3.1Å; R103-G107 VanDerWaalsContact O-N 3.14Å
104N97.5Very high97.1Very high78 Ų7865.5 Ų65.542%0.41734%0.344SS..Hα-helixtrans-63.3-49.2179.3-70.3-22.7000111.7E100 S101 G107 Y108E100-N104 PolarHBondContact O-N 2.84Å; E100-N104 PolarHBondContact O-ND2 3.17Å; S101-N104 PolarHBondContact O-N 2.95Å; N104-G107 WeakPolarHBondContact O-CA 3.26Å; N104-G107 PolarHBondContact O-N 3.25Å; N104-G107 VanDerWaalsContact O-N 3.11Å; N104-Y108 HydrophobicContact CB-CE2 4.5Å; N104-Y108 WeakPolarHBondContact O-CD1 3.4Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 3.09Å
105L97.9Very high96.8Very high9 Ų965.5 Ų65.55%0.04735%0.35CS..Hα-helixtrans-62.1-46.3-179.6-71169.1000111.5S101 G107 Y108 Y109 I119 Y142 Y147S101-L105 WeakPolarHBondContact O-CB 3.44Å; S101-L105 VanDerWaalsContact O-CG 3.31Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 2.83Å; L105-G107 PolarHBondContact O-N 3.35Å; L105-Y108 HydrophobicContact CD2-CD2 4.32Å; L105-Y108 PolarHBondContact O-N 3.21Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.04Å; L105-Y109 PolarHBondContact O-N 2.93Å; L105-I119 HydrophobicContact CD1-CD1 3.38Å; L105-I119 HydrophobicContact CD1-CG1 3.54Å; L105-Y142 HydrophobicContact CB-CD1 4.37Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 3.97Å; L105-Y142 HydrophobicContact CG-CD2 4.47Å; L105-Y147 HydrophobicContact CD2-CD1 4.46Å; L105-Y147 HydrophobicContact CD2-CD2 4.06Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.34Å; L105-Y147 VanDerWaalsContact CD2-OH 3.29Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.36Å
106R97.4Very high96.8Very high64 Ų6468.6 Ų68.624%0.24237%0.372CS..Hα-helixtrans-53-41.9173.8-173.9-170.166.8175.310.5111.7L102 N110 Q111 E113L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.36Å; L102-R106 VanDerWaalsContact O-N 3.13Å; R106-N110 PolarHBondContact O-N 3.31Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.48Å; R106-Q111 PolarHBondContact O-N 3.08Å; R106-E113 IonicContact CZ-OE1 2.73Å; R106-E113 IonicContact NH1-OE1 3.48Å; R106-E113 PolarHBondContact NH1-OE1 2.87Å; R106-E113 IonicContact NH2-OE1 3Å; R106-E113 PolarHBondContact NH2-OE1 3.12Å
107G97.4Very high96.8Very high43 Ų4365.2 Ų65.244%0.44336%0.356SS..Hα-helixtrans-65.1-47.3174.900000113.2R103 N104 L105 Y109 N110R103-G107 PolarHBondContact O-N 3.1Å; R103-G107 VanDerWaalsContact O-N 3.14Å; N104-G107 WeakPolarHBondContact O-CA 3.26Å; N104-G107 PolarHBondContact O-N 3.25Å; N104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 3.35Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.44Å; G107-N110 PolarHBondContact O-N 2.89Å; G107-N110 VanDerWaalsContact O-N 3.09Å
108Y97.9Very high96.9Very high57 Ų5765.1 Ų65.122%0.22435%0.352CS..Hα-helixtrans-60.9-35.6179.4-61.7-15.9000112.8N104 L105 I166 K170N104-Y108 HydrophobicContact CB-CE2 4.5Å; N104-Y108 WeakPolarHBondContact O-CD1 3.4Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 3.09Å; L105-Y108 HydrophobicContact CD2-CD2 4.32Å; L105-Y108 PolarHBondContact O-N 3.21Å; Y108-I166 HydrophobicContact CD1-CD1 4.1Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.24Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.14Å; Y108-K170 PolarHBondContact OH-NZ 2.85Å
109Y98.1Very high96.9Very high67 Ų6764.9 Ų64.926%0.26335%0.352SS..THydrogen-bonded Turntrans-90.63.9178-69.8-72.4000114L105 G107 Q111 Y142 Y147 D161 A163L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.04Å; L105-Y109 PolarHBondContact O-N 2.93Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.44Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.36Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.36Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.03Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.97Å; Y109-D161 PolarHBondContact OH-OD2 3.42Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.67Å; Y109-A163 HydrophobicContact CE2-CB 3.85Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110N97.2Very high97Very high151 Ų15166.6 Ų66.681%0.80736%0.362SS*.THydrogen-bonded Turntrans51.639.5-177.6-57.6-60.5000113.4R106 G107R106-N110 PolarHBondContact O-N 3.31Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 2.89Å; G107-N110 VanDerWaalsContact O-N 3.09Å
111Q97.4Very high97.1Very high61 Ų6163.2 Ų63.229%0.28534%0.344SS..  trans-87.2153.1-176.4-71.1166-33.300112R106 Y109 H117 Y142 D143R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.48Å; R106-Q111 PolarHBondContact O-N 3.08Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Q111-H117 PolarHBondContact NE2-CE1 3.13Å; Q111-H117 PolarHBondContact OE1-CE1 2.76Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.22Å; Q111-Y142 PolarHBondContact OE1-OH 3.09Å; Q111-D143 PolarHBondContact NE2-OD2 2.72Å
112S95.8Very high97.1Very high82 Ų8262.2 Ų62.257%0.57334%0.336SS*.  trans-67.4147.2179.1176.80000112.5A114 G115S112-A114 PolarHBondContact O-N 3Å; S112-A114 PolarHBondContact OG-N 3.12Å; S112-G115 PolarHBondContact O-N 3.02Å
113E93.1Very high97.1Very high132 Ų13262.9 Ų62.962%0.61734%0.338SS*.THydrogen-bonded Turntrans-67.2-20.9175.3-54.3-151.8126.800113.9P39 R106 G115P39-E113 WeakPolarHBondContact CB-O 3.42Å; P39-E113 VanDerWaalsContact CG-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.14Å; R106-E113 IonicContact CZ-OE1 2.73Å; R106-E113 IonicContact NH1-OE1 3.48Å; R106-E113 PolarHBondContact NH1-OE1 2.87Å; R106-E113 IonicContact NH2-OE1 3Å; R106-E113 PolarHBondContact NH2-OE1 3.12Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.43Å
114A93.6Very high97.2Very high83 Ų8356.5 Ų56.569%0.68631%0.314SS*.THydrogen-bonded Turntrans-77.6-12177.100000113S112S112-A114 PolarHBondContact O-N 3Å; S112-A114 PolarHBondContact OG-N 3.12Å
115G93.4Very high97.3Very high24 Ų2452.8 Ų52.825%0.24729%0.294CS..  trans-73.7133.6-179.900000113.1P39 S112 E113 H117P39-G115 WeakPolarHBondContact CG-O 3.11Å; S112-G115 PolarHBondContact O-N 3.02Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.43Å; G115-H117 PolarHBondContact O-CD2 2.89Å
116S96.9Very high97.3Very high81 Ų8153.8 Ų53.857%0.56630%0.299SS*.  trans-83.8131.9166.2-176.50000108.9S37S37-S116 PolarHBondContact O-OG 2.87Å
117H98.1Very high97.3Very high14 Ų1451 Ų517%0.06529%0.289CS..  trans-134.2152.3-174.6-63.8-72.2000111M36 S37 L102 Q111 G115 Y142 D143M36-H117 WeakPolarHBondContact CA-O 3.27Å; S37-H117 PolarHBondContact N-O 3.15Å; S37-H117 PolarHBondContact OG-N 3.28Å; S37-H117 PolarHBondContact OG-O 3.4Å; L102-H117 HydrophobicContact CD2-CB 4.1Å; Q111-H117 PolarHBondContact NE2-CE1 3.13Å; Q111-H117 PolarHBondContact OE1-CE1 2.76Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.22Å; G115-H117 PolarHBondContact O-CD2 2.89Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.2Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.36Å; H117-D143 IonicContact CE1-OD2 3.27Å; H117-D143 IonicContact CG-OD1 2.82Å; H117-D143 IonicContact CG-OD2 3.48Å; H117-D143 IonicContact ND1-OD1 2.99Å; H117-D143 IonicContact ND1-OD2 3.56Å; H117-D143 PolarHBondContact ND1-OD2 3.42Å
118I98.3Very high97.1Very high60 Ų6049 Ų4931%0.30827%0.269SS..EExtended strand (participates in β ladder)trans-127.9131.6-176.8-51.1-175.2000109.5T34 A35 M36 Q120 Y142 D143T34-I118 HydrophobicContact CG2-CG2 3.88Å; A35-I118 CarbonylContact O-C 3.51Å; A35-I118 WeakPolarHBondContact O-CA 3.46Å; M36-I118 HydrophobicContact CG-CB 4.5Å; M36-I118 HydrophobicContact CG-CD1 4.16Å; M36-I118 HydrophobicContact CG-CG1 3.97Å; M36-I118 HydrophobicContact CG-CG2 4.02Å; I118-Q120 HydrophobicContact CG2-CG 3.97Å; I118-Y142 WeakPolarHBondContact O-CA 3.35Å; I118-Y142 VanDerWaalsContact O-CD2 3.23Å; I118-Y142 WeakPolarHBondContact O-CD2 3.39Å; I118-D143 PolarHBondContact N-OD1 2.94Å; I118-D143 PolarHBondContact O-N 2.87Å
119I98.4Very high96.7Very high8 Ų851 Ų514%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-110.9134.6163.9-54.7167.9000107.9T34 A35 Y98 L102 L105 A141 Y142T34-I119 WeakPolarHBondContact CA-O 3.49Å; A35-I119 PolarHBondContact N-O 3.24Å; A35-I119 PolarHBondContact O-N 3.4Å; Y98-I119 HydrophobicContact CD1-CB 4.09Å; Y98-I119 HydrophobicContact CD1-CD1 4.29Å; Y98-I119 HydrophobicContact CD1-CG2 3.98Å; Y98-I119 HydrophobicContact CE1-CB 4.26Å; Y98-I119 HydrophobicContact CE1-CG2 3.7Å; L102-I119 HydrophobicContact CB-CD1 4.27Å; L102-I119 HydrophobicContact CD2-CD1 3.79Å; L102-I119 HydrophobicContact CD2-CG1 3.66Å; L102-I119 HydrophobicContact CG-CD1 3.6Å; L102-I119 HydrophobicContact CG-CG1 4.04Å; L105-I119 HydrophobicContact CD1-CD1 3.38Å; L105-I119 HydrophobicContact CD1-CG1 3.54Å; I119-A141 WeakPolarHBondContact CA-O 3.43Å; I119-Y142 HydrophobicContact CG1-CD2 3.72Å; I119-Y142 HydrophobicContact CG1-CE2 4.08Å
120Q98.7Very high96.3Very high84 Ų8452.5 Ų52.539%0.39330%0.301SS..EExtended strand (participates in β ladder)trans-121.1146.1172.1-63.3172.2-86.500109.5Y33 T34 I118 S140 A141Y33-Q120 CarbonylContact O-C 3.54Å; Y33-Q120 VanDerWaalsContact O-CA 3.25Å; Y33-Q120 WeakPolarHBondContact O-CA 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.14Å; I118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-S140 CarbonylContact O-C 3.51Å; Q120-S140 WeakPolarHBondContact O-CA 3.42Å; Q120-A141 HydrophobicContact CB-CB 4.45Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 3.3Å
121R98.6Very high96Very high47 Ų4746.2 Ų46.218%0.17727%0.272CS..EExtended strand (participates in β ladder)trans-135.4136.6170.2-177.4-179.3177.3-171.1-4109.7F32 Y33 Y98 Y123 D138 Q139F32-R121 WeakPolarHBondContact CA-O 3.21Å; Y33-R121 PolarHBondContact N-O 2.92Å; Y33-R121 PolarHBondContact O-N 3.47Å; Y98-R121 WeakPolarHBondContact OH-CB 3.33Å; Y98-R121 WeakPolarHBondContact OH-CD 3.49Å; R121-Y123 HydrophobicContact CG-CD1 4.41Å; R121-D138 IonicContact CZ-OD1 2.77Å; R121-D138 IonicContact NE-OD1 3.55Å; R121-D138 PolarHBondContact NE-OD1 3.41Å; R121-D138 IonicContact NE-OD2 3.68Å; R121-D138 IonicContact NH2-OD1 3.78Å; R121-D138 PolarHBondContact NH2-OD1 2.85Å; R121-D138 IonicContact NH2-OD2 3.82Å; R121-Q139 CarbonylContact C-O 3.58Å; R121-Q139 VanDerWaalsContact CA-O 3.26Å; R121-Q139 WeakPolarHBondContact CA-O 3.41Å; R121-Q139 WeakPolarHBondContact CG-O 3.45Å
122M98.7Very high95.8Very high19 Ų1951.3 Ų51.39%0.09429%0.289CS..EExtended strand (participates in β ladder)trans-119.9128.6168.3-175.5-78.6-67.900108Y31 F32 H137 D138 Q139Y31-M122 WeakPolarHBondContact O-CA 3.46Å; F32-M122 HydrophobicContact CD1-CB 3.97Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.97Å; M122-H137 HydrophobicContact CE-CB 3.89Å; M122-H137 HydrophobicContact SD-CB 4.04Å; M122-D138 WeakPolarHBondContact O-CA 3.13Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 3.87Å; M122-Q139 VanDerWaalsContact CE-NE2 3.27Å; M122-Q139 PolarHBondContact N-O 2.95Å; M122-Q139 PolarHBondContact O-N 2.82Å
123Y98.7Very high95.9Very high23 Ų2350 Ų509%0.0928%0.275CS..EExtended strand (participates in β ladder)trans-145.1156.1172.874.9-83.9000110.7Y31 Y33 R121 H137 D138 Y183Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.82Å; Y31-Y123 HydrophobicContact CD2-CE2 3.82Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.03Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.29Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.32Å; Y31-Y123 PolarHBondContact O-N 3.05Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; Y33-Y123 HydrophobicContact CD1-CE1 4.42Å; Y33-Y123 HydrophobicContact CD2-CE1 4.4Å; Y33-Y123 AromaticContact CE1-CE1 3.75Å; Y33-Y123 HydrophobicContact CE1-CE1 3.75Å; Y33-Y123 AromaticContact CE2-CE1 3.79Å; Y33-Y123 HydrophobicContact CE2-CE1 3.79Å; Y33-Y123 AromaticContact CZ-CE1 3.42Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.42Å; Y33-Y123 AromaticContact CZ-CZ 3.9Å; Y33-Y123 WeakPolarHBondContact OH-CE1 3.36Å; Y33-Y123 PolarHBondContact OH-OH 2.71Å; R121-Y123 HydrophobicContact CG-CD1 4.41Å; Y123-H137 CarbonylContact C-O 3.5Å; Y123-H137 WeakPolarHBondContact CA-O 3.31Å; Y123-H137 VanDerWaalsContact CB-O 3.31Å; Y123-H137 WeakPolarHBondContact CB-O 3.39Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.21Å; Y123-Y183 AromaticContact CD2-CE1 3.83Å; Y123-Y183 HydrophobicContact CD2-CE1 3.83Å; Y123-Y183 AromaticContact CE2-CE1 3.65Å; Y123-Y183 HydrophobicContact CE2-CE1 3.65Å; Y123-Y183 AromaticContact CE2-CZ 3.9Å
124G98.6Very high96Very high0 Ų049.3 Ų49.30%028%0.275CS..EExtended strand (participates in β ladder)trans159.3-176-176.100000114M29 H137 L184M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.05Å; G124-H137 PolarHBondContact N-O 3.02Å; G124-H137 PolarHBondContact O-N 3.01Å; G124-L184 WeakPolarHBondContact O-CD2 3.36Å
125C98.6Very high96.2Very high0 Ų050.3 Ų50.30%026%0.261CS..EExtended strand (participates in β ladder)trans-132.7147.7-176.252.30000111S28 M29 L133 R135 C188S28-C125 WeakPolarHBondContact CA-O 3.38Å; M29-C125 PolarHBondContact N-O 2.92Å; M29-C125 PolarHBondContact O-N 3.06Å; C125-L133 HydrophobicContact CB-CD1 3.59Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.39Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 3.34Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 PolarHBondContact SG-O 3.48Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.07Å
126D98.2Very high96.4Very high30 Ų3049.4 Ų49.416%0.1625%0.252CS..EExtended strand (participates in β ladder)trans-111.9133173.3-53.3-23.9000108.6H27 S28 R30 L134 R135 H137H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.25Å; S28-D126 WeakPolarHBondContact CB-OD1 3.37Å; R30-D126 IonicContact CZ-OD1 3.33Å; R30-D126 IonicContact NE-OD1 3.67Å; R30-D126 PolarHBondContact NE-OD1 3.07Å; R30-D126 VanDerWaalsContact NE-OD1 3.12Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 3.34Å; R30-D126 PolarHBondContact NH2-OD1 2.88Å; R30-D126 IonicContact NH2-OD2 2.72Å; R30-D126 PolarHBondContact NH2-OD2 3.43Å; R30-D126 VanDerWaalsContact NH2-OD2 3.09Å; D126-L134 PolarHBondContact O-N 2.99Å; D126-R135 HydrophobicContact CB-CB 4.38Å; D126-R135 PolarHBondContact N-O 2.7Å; D126-R135 PolarHBondContact O-N 3.34Å; D126-H137 IonicContact OD1-CD2 2.77Å; D126-H137 IonicContact OD1-NE2 2.95Å; D126-H137 IonicContact OD2-CD2 2.69Å; D126-H137 IonicContact OD2-CE1 3.39Å; D126-H137 IonicContact OD2-NE2 3Å; D126-H137 PolarHBondContact OD2-NE2 3.42Å
127L97.3Very high96.4Very high4 Ų446.6 Ų46.62%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-108.5143.3175.3-55.6-176.7000110.5S26 H27 R132 V189 L192 R193S26-L127 VanDerWaalsContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CB-O 3.48Å; H27-L127 PolarHBondContact N-O 3.14Å; H27-L127 PolarHBondContact O-N 2.77Å; L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.35Å; L127-V189 HydrophobicContact CD1-CG1 4.4Å; L127-V189 HydrophobicContact CD2-CB 4.2Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L127-L192 HydrophobicContact CB-CD2 4.46Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.64Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CG-CD2 3.56Å; L127-L192 HydrophobicContact CG-CG 4.23Å; L127-R193 HydrophobicContact CD1-CG 3.97Å
128G94.1Very high96.5Very high3 Ų346.1 Ų46.13%0.03123%0.227CC..  trans-81.1177.6171.300000112D130 G131 R132 L134G128-D130 PolarHBondContact O-N 2.83Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.47Å; G128-G131 PolarHBondContact O-N 3.15Å; G128-R132 PolarHBondContact N-O 3.2Å; G128-L134 VanDerWaalsContact N-CG 3.34Å
129P90.1Very high96.5Very high97 Ų9747.2 Ų47.263%0.6323%0.231SC*.THydrogen-bonded Turntrans-58.7-24.9176.8-24.835000114.4G25 G131G25-P129 VanDerWaalsContact O-CA 3.25Å; G25-P129 WeakPolarHBondContact O-CA 3.24Å; P129-G131 PolarHBondContact O-N 3.03Å
130D89.4Confident96.5Very high99 Ų9947.6 Ų47.653%0.52924%0.235SC..THydrogen-bonded Turntrans-82.42.8174.370.7-13.3000113.3G128 R132G128-D130 PolarHBondContact O-N 2.83Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 2.95Å; D130-R132 WeakPolarHBondContact OD1-CB 3.33Å; D130-R132 PolarHBondContact OD1-N 3.1Å; D130-R132 WeakPolarHBondContact OD2-CD 3.06Å; D130-R132 WeakPolarHBondContact OD2-CG 3.31Å; D130-R132 IonicContact OD2-NE 2.78Å
131G89.3Confident96.5Very high19 Ų1944.3 Ų44.320%0.19622%0.222CC..SBendtrans71.89.4-178.200000114.2G128 P129 R193G128-G131 WeakPolarHBondContact O-CA 3.47Å; G128-G131 PolarHBondContact O-N 3.15Å; P129-G131 PolarHBondContact O-N 3.03Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.04Å; G131-R193 PolarHBondContact O-NH2 3.49Å
132R94.2Very high96.5Very high169 Ų16942.6 Ų42.664%0.63822%0.215SC*.  trans-87.6154.5177.8-62.4-173.7-177.4166.4-2.8111.4L127 G128 D130 L134L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.35Å; G128-R132 PolarHBondContact N-O 3.2Å; D130-R132 PolarHBondContact O-N 2.95Å; D130-R132 WeakPolarHBondContact OD1-CB 3.33Å; D130-R132 PolarHBondContact OD1-N 3.1Å; D130-R132 WeakPolarHBondContact OD2-CD 3.06Å; D130-R132 WeakPolarHBondContact OD2-CG 3.31Å; D130-R132 IonicContact OD2-NE 2.78Å; R132-L134 PolarHBondContact O-N 3.43Å
133L96.9Very high96.5Very high53 Ų5344.7 Ų44.728%0.27723%0.227SC..EExtended strand (participates in β ladder)trans-59.7120.7175.2-176.672.8000109.9C125 R135 L154 E185 V189C125-L133 HydrophobicContact CB-CD1 3.59Å; L133-R135 WeakPolarHBondContact CD1-O 3.33Å; L133-L154 HydrophobicContact CD2-CD1 4.34Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.08Å
134L96.4Very high96.4Very high118 Ų11846.5 Ų46.562%0.61825%0.253SS*.EExtended strand (participates in β ladder)trans-90.9-44.8168-70.1178.1000110.9D126 G128 R132D126-L134 PolarHBondContact O-N 2.99Å; G128-L134 VanDerWaalsContact N-CG 3.34Å; R132-L134 PolarHBondContact O-N 3.43Å
135R96.7Very high96.4Very high104 Ų10454.1 Ų54.139%0.39229%0.286SS..EExtended strand (participates in β ladder)trans-154.2137.9-174.1-170.3171.4175.5136.58.9111.6C125 D126 L133 H137 E152C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.39Å; D126-R135 HydrophobicContact CB-CB 4.38Å; D126-R135 PolarHBondContact N-O 2.7Å; D126-R135 PolarHBondContact O-N 3.34Å; L133-R135 WeakPolarHBondContact CD1-O 3.33Å; R135-H137 WeakPolarHBondContact CD-CE1 3.46Å; R135-H137 PolarHBondContact NE-CE1 3.49Å; R135-E152 IonicContact CZ-OE1 3.54Å; R135-E152 IonicContact NH1-OE1 3.56Å; R135-E152 PolarHBondContact NH1-OE1 3.16Å; R135-E152 IonicContact NH2-OE1 2.77Å; R135-E152 PolarHBondContact NH2-OE1 3.38Å
136G98.1Very high96.4Very high6 Ų660.4 Ų60.46%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-104.4148.9166.900000110.7
137H98.2Very high96.4Very high22 Ų2259.5 Ų59.510%0.10231%0.314CS..EExtended strand (participates in β ladder)trans-132137.8-179.1-56.2-94.6000110.1R30 M122 Y123 G124 D126 R135R30-H137 PolarHBondContact NH2-NE2 2.94Å; R30-H137 VanDerWaalsContact NH2-NE2 3.13Å; M122-H137 HydrophobicContact CE-CB 3.89Å; M122-H137 HydrophobicContact SD-CB 4.04Å; Y123-H137 CarbonylContact C-O 3.5Å; Y123-H137 WeakPolarHBondContact CA-O 3.31Å; Y123-H137 VanDerWaalsContact CB-O 3.31Å; Y123-H137 WeakPolarHBondContact CB-O 3.39Å; G124-H137 PolarHBondContact N-O 3.02Å; G124-H137 PolarHBondContact O-N 3.01Å; D126-H137 IonicContact OD1-CD2 2.77Å; D126-H137 IonicContact OD1-NE2 2.95Å; D126-H137 IonicContact OD2-CD2 2.69Å; D126-H137 IonicContact OD2-CE1 3.39Å; D126-H137 IonicContact OD2-NE2 3Å; D126-H137 PolarHBondContact OD2-NE2 3.42Å; R135-H137 WeakPolarHBondContact CD-CE1 3.46Å; R135-H137 PolarHBondContact NE-CE1 3.49Å
138D98.6Very high96.5Very high3 Ų359.6 Ų59.62%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-152.3111.4162.6-170.777.4000108.7R121 M122 Y123 L150 L180R121-D138 IonicContact CZ-OD1 2.77Å; R121-D138 IonicContact NE-OD1 3.55Å; R121-D138 PolarHBondContact NE-OD1 3.41Å; R121-D138 IonicContact NE-OD2 3.68Å; R121-D138 IonicContact NH2-OD1 3.78Å; R121-D138 PolarHBondContact NH2-OD1 2.85Å; R121-D138 IonicContact NH2-OD2 3.82Å; M122-D138 WeakPolarHBondContact O-CA 3.13Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.21Å; D138-L150 HydrophobicContact CB-CB 3.94Å; D138-L150 HydrophobicContact CB-CD2 4.14Å; D138-L150 WeakPolarHBondContact O-CB 3.43Å; D138-L150 PolarHBondContact O-N 3.23Å; D138-L180 HydrophobicContact CB-CD1 4.2Å
139Q98.6Very high96.7Very high83 Ų8360.8 Ų60.839%0.38832%0.324SS..EExtended strand (participates in β ladder)trans-143.3145-177.864.8-170.426.800111R121 M122 I148 A149R121-Q139 CarbonylContact C-O 3.58Å; R121-Q139 VanDerWaalsContact CA-O 3.26Å; R121-Q139 WeakPolarHBondContact CA-O 3.41Å; R121-Q139 WeakPolarHBondContact CG-O 3.45Å; M122-Q139 HydrophobicContact CB-CG 4.16Å; M122-Q139 HydrophobicContact CE-CG 3.87Å; M122-Q139 VanDerWaalsContact CE-NE2 3.27Å; M122-Q139 PolarHBondContact N-O 2.95Å; M122-Q139 PolarHBondContact O-N 2.82Å; Q139-I148 WeakPolarHBondContact CA-O 3.41Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140S98.6Very high97.1Very high16 Ų1656.9 Ų56.911%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-127.5146.2179.2-58.20000111.2Q120 Y147 I148Q120-S140 CarbonylContact O-C 3.51Å; Q120-S140 WeakPolarHBondContact O-CA 3.42Å; S140-Y147 WeakPolarHBondContact O-CB 3.3Å; S140-Y147 PolarHBondContact O-N 2.97Å; S140-I148 PolarHBondContact N-O 3.47Å; S140-I148 PolarHBondContact O-N 3.49Å
141A98.8Very high97.6Very high15 Ų1554.3 Ų54.312%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-125.2148.4175.900000110.3I119 Q120 K145I119-A141 WeakPolarHBondContact CA-O 3.43Å; Q120-A141 HydrophobicContact CB-CB 4.45Å; Q120-A141 PolarHBondContact N-O 2.9Å; Q120-A141 PolarHBondContact O-N 3.3Å; A141-K145 CarbonylContact C-O 3.44Å; A141-K145 WeakPolarHBondContact CA-O 3.41Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.23Å
142Y98.7Very high98Very high11 Ų1159.9 Ų59.94%0.04331%0.305CS..EExtended strand (participates in β ladder)trans-125.9127.4176-174.3-123.4000110.3L102 L105 Y109 Q111 H117 I118 I119 G144 K145L102-Y142 HydrophobicContact CD2-CE2 4.36Å; L105-Y142 HydrophobicContact CB-CD1 4.37Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 3.97Å; L105-Y142 HydrophobicContact CG-CD2 4.47Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.36Å; Q111-Y142 PolarHBondContact OE1-OH 3.09Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.2Å; I118-Y142 WeakPolarHBondContact O-CA 3.35Å; I118-Y142 VanDerWaalsContact O-CD2 3.23Å; I118-Y142 WeakPolarHBondContact O-CD2 3.39Å; I119-Y142 HydrophobicContact CG1-CD2 3.72Å; I119-Y142 HydrophobicContact CG1-CE2 4.08Å; Y142-G144 PolarHBondContact O-N 3.5Å; Y142-K145 PolarHBondContact N-O 2.87Å; Y142-K145 PolarHBondContact O-N 2.74Å
143D98.2Very high98.1Very high64 Ų6455.7 Ų55.734%0.34230%0.295SS..THydrogen-bonded Turntrans49.339.6-175.2-66.2-20.7000113.3Q111 H117 I118 K145Q111-D143 PolarHBondContact NE2-OD2 2.72Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.36Å; H117-D143 IonicContact CE1-OD2 3.27Å; H117-D143 IonicContact CG-OD1 2.82Å; H117-D143 IonicContact CG-OD2 3.48Å; H117-D143 IonicContact ND1-OD1 2.99Å; H117-D143 IonicContact ND1-OD2 3.56Å; H117-D143 PolarHBondContact ND1-OD2 3.42Å; I118-D143 PolarHBondContact N-OD1 2.94Å; I118-D143 PolarHBondContact O-N 2.87Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.84Å
144G97.1Very high98.2Very high61 Ų6153.6 Ų53.663%0.62928%0.284SS*.THydrogen-bonded Turntrans78.76.8177.900000115.3Y142Y142-G144 PolarHBondContact O-N 3.5Å
145K98.4Very high98.2Very high159 Ų15951.2 Ų51.269%0.69128%0.278SS*.EExtended strand (participates in β ladder)trans-113.6145176.6-61.8-179.7-177.7178.40110.7A141 Y142 D143 Y147A141-K145 CarbonylContact C-O 3.44Å; A141-K145 WeakPolarHBondContact CA-O 3.41Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.23Å; Y142-K145 PolarHBondContact N-O 2.87Å; Y142-K145 PolarHBondContact O-N 2.74Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.84Å; K145-Y147 PolarHBondContact O-N 2.87Å
146D98.7Very high98.3Very high132 Ų13248.1 Ų48.171%0.70627%0.272SS*.EExtended strand (participates in β ladder)trans-54135.6174.3-65.9-31.9000110.6A160D146-A160 WeakPolarHBondContact O-CB 3.19Å
147Y98.8Very high98.3Very high12 Ų1248.4 Ų48.45%0.04727%0.271CS..EExtended strand (participates in β ladder)trans-114.8-61.8-179.4179.3-106.4000110.5L105 Y109 S140 K145 A160 A163 A164 T167L105-Y147 HydrophobicContact CD2-CD1 4.46Å; L105-Y147 HydrophobicContact CD2-CD2 4.06Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.34Å; L105-Y147 VanDerWaalsContact CD2-OH 3.29Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.36Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.36Å; S140-Y147 WeakPolarHBondContact O-CB 3.3Å; S140-Y147 PolarHBondContact O-N 2.97Å; K145-Y147 PolarHBondContact O-N 2.87Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 3.48Å; Y147-A163 HydrophobicContact CE2-CB 4.4Å; Y147-A163 PolarHBondContact OH-O 2.82Å; Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 VanDerWaalsContact CZ-CA 3.48Å; Y147-A164 WeakPolarHBondContact O-CB 3.5Å; Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.48Å
148I98.8Very high98.4Very high5 Ų551.1 Ų51.13%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-150.1140.8179.4-160.6172.1000110.4Q139 S140 W157 T158 T167 Q168 W171Q139-I148 WeakPolarHBondContact CA-O 3.41Å; S140-I148 PolarHBondContact N-O 3.47Å; S140-I148 PolarHBondContact O-N 3.49Å; I148-W157 HydrophobicContact CD1-CB 4.37Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CG1-CB 4.44Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.33Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-Q168 HydrophobicContact CD1-CB 3.96Å; I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.38Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.81Å
149A98.8Very high98.4Very high29 Ų2952 Ų5224%0.2430%0.297CS..EExtended strand (participates in β ladder)trans-134.3139.4178.100000111.5Q139 W157 T158Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; A149-T158 PolarHBondContact N-O 2.81Å; A149-T158 PolarHBondContact O-N 2.91Å
150L98.8Very high98.4Very high15 Ų1551 Ų518%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-72.2128.6168.2-175.668.2000108.4D138 L154 W157 A177 L180 L184D138-L150 HydrophobicContact CB-CB 3.94Å; D138-L150 HydrophobicContact CB-CD2 4.14Å; D138-L150 WeakPolarHBondContact O-CB 3.43Å; D138-L150 PolarHBondContact O-N 3.23Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.95Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-A177 HydrophobicContact CD1-CB 4.03Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L180 HydrophobicContact CD2-CD1 4.43Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å
151N98.6Very high98.4Very high45 Ų4552.7 Ų52.724%0.24131%0.311CS..  trans-72.7163.3179.7-67.5-29.1000111.2D153 L154 S156 T158N151-D153 PolarHBondContact O-N 2.85Å; N151-L154 PolarHBondContact O-N 3.02Å; N151-S156 WeakPolarHBondContact CB-O 3.48Å; N151-S156 WeakPolarHBondContact CB-OG 3.25Å; N151-S156 PolarHBondContact N-O 2.74Å; N151-S156 PolarHBondContact ND2-OG 3.25Å; N151-T158 PolarHBondContact ND2-OG1 3.31Å; N151-T158 WeakPolarHBondContact OD1-CB 3.28Å; N151-T158 PolarHBondContact OD1-OG1 2.96Å
152E97.4Very high98.3Very high136 Ų13657.2 Ų57.264%0.63634%0.337SS*.THydrogen-bonded Turntrans-59.6-21.6-178.7-66.8-179.7-17300113.6R135 L154R135-E152 IonicContact CZ-OE1 3.54Å; R135-E152 IonicContact NH1-OE1 3.56Å; R135-E152 PolarHBondContact NH1-OE1 3.16Å; R135-E152 IonicContact NH2-OE1 2.77Å; R135-E152 PolarHBondContact NH2-OE1 3.38Å; E152-L154 PolarHBondContact O-N 2.76Å
153D97.6Very high98.3Very high80 Ų8057 Ų5743%0.42834%0.337SS..THydrogen-bonded Turntrans-72-7.1174.468.322.1000114.1N151 S155 S156N151-D153 PolarHBondContact O-N 2.85Å; D153-S155 PolarHBondContact O-N 2.95Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.22Å; D153-S155 PolarHBondContact OD1-N 2.83Å; D153-S155 PolarHBondContact OD1-OG 2.98Å; D153-S155 PolarHBondContact OD2-OG 3.41Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.85Å; D153-S156 PolarHBondContact OD1-OG 3.19Å; D153-S156 WeakPolarHBondContact OD2-CB 3.35Å; D153-S156 PolarHBondContact OD2-OG 3.17Å
154L98.1Very high98.3Very high9 Ų953.9 Ų53.95%0.04732%0.321CS..SBendtrans53.728.7-177.2-52.5-178.2000114L133 L150 N151 E152 R181 L184 E185L133-L154 HydrophobicContact CD2-CD1 4.34Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; N151-L154 PolarHBondContact O-N 3.02Å; E152-L154 PolarHBondContact O-N 2.76Å; L154-R181 HydrophobicContact CB-CB 4.15Å; L154-R181 HydrophobicContact CB-CG 4Å; L154-R181 HydrophobicContact CD1-CG 4.35Å; L154-L184 HydrophobicContact CD2-CD1 4.04Å; L154-E185 HydrophobicContact CD1-CG 4.14Å
155S97.8Very high98.4Very high69 Ų6954.6 Ų54.648%0.48331%0.307SS..SBendtrans-139.3-26.3-174.770.30000113.6D153D153-S155 PolarHBondContact O-N 2.95Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.22Å; D153-S155 PolarHBondContact OD1-N 2.83Å; D153-S155 PolarHBondContact OD1-OG 2.98Å; D153-S155 PolarHBondContact OD2-OG 3.41Å
156S98.1Very high98.4Very high38 Ų3849.9 Ų49.927%0.26629%0.289SS..  trans-119.6163.9-17870.20000112.3N151 D153N151-S156 WeakPolarHBondContact CB-O 3.48Å; N151-S156 WeakPolarHBondContact CB-OG 3.25Å; N151-S156 PolarHBondContact N-O 2.74Å; N151-S156 PolarHBondContact ND2-OG 3.25Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.85Å; D153-S156 PolarHBondContact OD1-OG 3.19Å; D153-S156 WeakPolarHBondContact OD2-CB 3.35Å; D153-S156 PolarHBondContact OD2-OG 3.17Å
157W98.8Very high98.4Very high12 Ų1244.4 Ų44.45%0.04526%0.261CS..EExtended strand (participates in β ladder)trans-121.5144.6-174.6-61.894.9000111.5I148 A149 L150 Q168 W171 V176 A177 L180I148-W157 HydrophobicContact CD1-CB 4.37Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CG1-CB 4.44Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.95Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 2.87Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CH2-CD2 4.41Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CH2 4.45Å; W157-W171 AromaticContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CZ2-CD2 4.35Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-V176 HydrophobicContact CH2-CG1 4.48Å; W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å; W157-L180 HydrophobicContact CZ3-CD1 4.5Å
158T98.8Very high98.4Very high79 Ų7945.8 Ų45.849%0.48527%0.267SS..EExtended strand (participates in β ladder)trans-107.3116.8164.9-66.30000109.1I148 A149 N151I148-T158 WeakPolarHBondContact CA-O 3.33Å; A149-T158 PolarHBondContact N-O 2.81Å; A149-T158 PolarHBondContact O-N 2.91Å; N151-T158 PolarHBondContact ND2-OG1 3.31Å; N151-T158 WeakPolarHBondContact OD1-CB 3.28Å; N151-T158 PolarHBondContact OD1-OG1 2.96Å
159A98.7Very high98.4Very high23 Ų2352.9 Ų52.919%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-97.5131.4175.400000110.3A164 Q165 Q168A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 3.98Å; A159-Q168 HydrophobicContact CB-CB 4.44Å
160A98.5Very high98.3Very high61 Ų6157 Ų5750%0.50431%0.307SS..SBendtrans-74.2-31.2-176.100000113.4D146 Y147D146-A160 WeakPolarHBondContact O-CB 3.19Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 3.48Å
161D98.4Very high98.3Very high52 Ų5259.3 Ų59.328%0.27831%0.314SS..SBendtrans-151.6-175.7-178.166.829.4000113.2Y109 A163 A164 Q165Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.03Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.97Å; Y109-D161 PolarHBondContact OH-OD2 3.42Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.39Å; D161-A163 WeakPolarHBondContact OD1-CA 3.11Å; D161-A163 WeakPolarHBondContact OD1-CB 3.43Å; D161-A163 PolarHBondContact OD1-N 2.98Å; D161-A164 PolarHBondContact O-N 2.92Å; D161-A164 PolarHBondContact OD1-N 3.28Å; D161-Q165 WeakPolarHBondContact O-CG 3.3Å; D161-Q165 PolarHBondContact O-N 3.21Å
162T98.3Very high98.3Very high110 Ų11061.7 Ų61.768%0.67532%0.324SS*.Hα-helixtrans-64.6-28.4-179.649.50000113.9
163A98.1Very high98.4Very high5 Ų559.4 Ų59.44%0.04133%0.328CS..Hα-helixtrans-73-43.3175.400000110Y109 Y147 D161 Q165 I166Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.67Å; Y109-A163 HydrophobicContact CE2-CB 3.85Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.4Å; Y147-A163 PolarHBondContact OH-O 2.82Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.39Å; D161-A163 WeakPolarHBondContact OD1-CA 3.11Å; D161-A163 WeakPolarHBondContact OD1-CB 3.43Å; D161-A163 PolarHBondContact OD1-N 2.98Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.01Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.49Å; A163-I166 PolarHBondContact O-N 3.39Å
164A98.5Very high98.4Very high0 Ų058.4 Ų58.40%033%0.331CS..Hα-helixtrans-60.3-35173.900000113.3Y147 A159 D161 I166 T167 Q168Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 VanDerWaalsContact CZ-CA 3.48Å; Y147-A164 WeakPolarHBondContact O-CB 3.5Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 2.92Å; D161-A164 PolarHBondContact OD1-N 3.28Å; A164-I166 PolarHBondContact O-N 2.94Å; A164-T167 WeakPolarHBondContact O-CB 3.49Å; A164-T167 PolarHBondContact O-N 3.37Å; A164-Q168 PolarHBondContact O-N 2.92Å
165Q98.7Very high98.4Very high75 Ų7565.3 Ų65.335%0.3536%0.357SS..Hα-helixtrans-60-28.2173.3-72.7174.111.300113A159 D161 A163 R169A159-Q165 HydrophobicContact CB-CG 3.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.3Å; D161-Q165 PolarHBondContact O-N 3.21Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.01Å; Q165-R169 WeakPolarHBondContact O-CG 3.22Å; Q165-R169 PolarHBondContact O-N 3.06Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166I98.5Very high98.4Very high60 Ų6063.4 Ų63.431%0.30834%0.342SS..Hα-helixtrans-66.7-45.2174-57171000109.7Y108 A163 A164 K170Y108-I166 HydrophobicContact CD1-CD1 4.1Å; Y108-I166 HydrophobicContact CD2-CD1 4.47Å; Y108-I166 HydrophobicContact CE1-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CG2 4.07Å; Y108-I166 HydrophobicContact CE2-CB 4.24Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.14Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.49Å; A163-I166 PolarHBondContact O-N 3.39Å; A164-I166 PolarHBondContact O-N 2.94Å; I166-K170 WeakPolarHBondContact O-CG 3.14Å; I166-K170 PolarHBondContact O-N 3.45Å
167T98.3Very high98.5Very high18 Ų1862 Ų6211%0.1133%0.333CS..Hα-helixtrans-63.4-45.4174.7-68.90000111.2Y147 I148 A164 R169 K170 W171Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.48Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; A164-T167 WeakPolarHBondContact O-CB 3.49Å; A164-T167 PolarHBondContact O-N 3.37Å; T167-R169 PolarHBondContact O-N 3.22Å; T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 3.19Å; T167-K170 VanDerWaalsContact O-N 3.11Å; T167-W171 HydrophobicContact CG2-CD2 3.71Å; T167-W171 HydrophobicContact CG2-CE3 4.21Å; T167-W171 HydrophobicContact CG2-CG 4.04Å; T167-W171 HydrophobicContact CG2-CH2 4.47Å; T167-W171 HydrophobicContact CG2-CZ2 3.97Å; T167-W171 WeakPolarHBondContact O-CB 3.32Å; T167-W171 PolarHBondContact O-N 3.01Å
168Q98.7Very high98.4Very high40 Ų4066.6 Ų66.619%0.18735%0.354CS..Hα-helixtrans-52-53.3177.7177175.31000111.5I148 W157 A159 A164 K170 W171 E172I148-Q168 HydrophobicContact CD1-CB 3.96Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 2.87Å; A159-Q168 HydrophobicContact CB-CB 4.44Å; A164-Q168 PolarHBondContact O-N 2.92Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.07Å; Q168-W171 PolarHBondContact O-N 2.97Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.5Å; Q168-E172 PolarHBondContact NE2-OE1 3.29Å; Q168-E172 WeakPolarHBondContact O-CB 3.24Å; Q168-E172 WeakPolarHBondContact O-CG 3.27Å; Q168-E172 PolarHBondContact O-N 2.89Å
169R98.7Very high98.4Very high154 Ų15469.5 Ų69.558%0.58136%0.362SS*.Hα-helixtrans-59.2-39179.5-68.7171.6-165.6151.28.3112.6Q165 T167 A173Q165-R169 WeakPolarHBondContact O-CG 3.22Å; Q165-R169 PolarHBondContact O-N 3.06Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 3.22Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 3.41Å
170K98.3Very high98.4Very high116 Ų11669.3 Ų69.350%0.50436%0.358SS..Hα-helixtrans-65.8-43176.5-71.6179.2176.8-173.50111.3Y108 I166 T167 Q168 A174Y108-K170 PolarHBondContact OH-NZ 2.85Å; I166-K170 WeakPolarHBondContact O-CG 3.14Å; I166-K170 PolarHBondContact O-N 3.45Å; T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 3.19Å; T167-K170 VanDerWaalsContact O-N 3.11Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.07Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 2.88Å
171W98.3Very high98.3Very high64 Ų6471.5 Ų71.524%0.24235%0.354CS..Hα-helixtrans-71.5-37.1-179-76.69.8000112.7I148 W157 T167 Q168 A174 R175 V176I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.38Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.81Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CH2-CD2 4.41Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CH2 4.45Å; W157-W171 AromaticContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CZ2-CD2 4.35Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.71Å; T167-W171 HydrophobicContact CG2-CE3 4.21Å; T167-W171 HydrophobicContact CG2-CG 4.04Å; T167-W171 HydrophobicContact CG2-CH2 4.47Å; T167-W171 HydrophobicContact CG2-CZ2 3.97Å; T167-W171 WeakPolarHBondContact O-CB 3.32Å; T167-W171 PolarHBondContact O-N 3.01Å; Q168-W171 PolarHBondContact O-N 2.97Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.5Å; W171-A174 PolarHBondContact O-N 2.88Å; W171-R175 PolarHBondContact O-N 3.23Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CG1 4.29Å; W171-V176 HydrophobicContact CE3-CG1 4.5Å; W171-V176 HydrophobicContact CG-CB 4.14Å; W171-V176 HydrophobicContact CG-CG1 4.41Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 3.25Å
172E98.6Very high98.3Very high94 Ų9472.2 Ų72.244%0.43937%0.367SS..Hα-helixtrans-64-48.5172-73169.7173.500111Q168 A174 R175Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.5Å; Q168-E172 PolarHBondContact NE2-OE1 3.29Å; Q168-E172 WeakPolarHBondContact O-CB 3.24Å; Q168-E172 WeakPolarHBondContact O-CG 3.27Å; Q168-E172 PolarHBondContact O-N 2.89Å; E172-A174 PolarHBondContact O-N 2.66Å; E172-R175 PolarHBondContact O-N 3.08Å
173A98.4Very high98.3Very high88 Ų8869.8 Ų69.873%0.72735%0.346SS*.Hα-helixtrans-60.6-35176.800000112.7R169R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 3.41Å
174A98.2Very high98.4Very high59 Ų5969.6 Ų69.649%0.48834%0.344SS..THydrogen-bonded Turntrans-88.32.2176.700000114.1K170 W171 E172 V176K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 2.88Å; W171-A174 CarbonylContact O-C 3.5Å; W171-A174 PolarHBondContact O-N 2.88Å; E172-A174 PolarHBondContact O-N 2.66Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 2.86Å
175R98.1Very high98.3Very high155 Ų15573.8 Ų73.859%0.58536%0.363SS*.THydrogen-bonded Turntrans51.940.2-178.7-60.6175.6171.4-133.27.4113.9W171 E172 A177 E178W171-R175 PolarHBondContact O-N 3.23Å; E172-R175 PolarHBondContact O-N 3.08Å; R175-A177 PolarHBondContact O-N 3.17Å; R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 WeakPolarHBondContact CD-OE1 3.45Å; R175-E178 IonicContact CZ-OE1 3.71Å; R175-E178 IonicContact NE-OE1 3.55Å; R175-E178 IonicContact NH1-OE1 2.74Å; R175-E178 PolarHBondContact NH1-OE1 3.49Å; R175-E178 IonicContact NH1-OE2 2.89Å; R175-E178 PolarHBondContact O-N 2.79Å; R175-E178 VanDerWaalsContact O-N 3.16Å
176V98.4Very high98.3Very high29 Ų2971.2 Ų71.218%0.17636%0.357CS..Hα-helixtrans-60.4-35-177.5176.10000111.8W157 W171 A174 E178 Q179 L180W157-V176 HydrophobicContact CH2-CG1 4.48Å; W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CG1 4.29Å; W171-V176 HydrophobicContact CE3-CG1 4.5Å; W171-V176 HydrophobicContact CG-CB 4.14Å; W171-V176 HydrophobicContact CG-CG1 4.41Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 3.25Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 2.86Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.15Å; V176-Q179 PolarHBondContact O-N 2.95Å; V176-L180 HydrophobicContact CG1-CD1 3.89Å; V176-L180 HydrophobicContact CG1-CG 4.23Å; V176-L180 PolarHBondContact O-N 3.48Å
177A98.5Very high98.3Very high8 Ų871.5 Ų71.57%0.06636%0.359CS..Hα-helixtrans-59.9-37.7178.400000112.6L150 W157 R175 Q179 L180 R181L150-A177 HydrophobicContact CD1-CB 4.03Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; R175-A177 PolarHBondContact O-N 3.17Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.74Å; A177-L180 PolarHBondContact O-N 2.73Å; A177-R181 VanDerWaalsContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.2Å; A177-R181 PolarHBondContact O-N 3.26Å
178E98.2Very high98.3Very high108 Ų10870.6 Ų70.651%0.50535%0.353SS..Hα-helixtrans-62.9-40.3177.9-63.3177.5-164.900111.5R175 V176 A182R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 WeakPolarHBondContact CD-OE1 3.45Å; R175-E178 IonicContact CZ-OE1 3.71Å; R175-E178 IonicContact NE-OE1 3.55Å; R175-E178 IonicContact NH1-OE1 2.74Å; R175-E178 PolarHBondContact NH1-OE1 3.49Å; R175-E178 IonicContact NH1-OE2 2.89Å; R175-E178 PolarHBondContact O-N 2.79Å; R175-E178 VanDerWaalsContact O-N 3.16Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.15Å; E178-A182 WeakPolarHBondContact O-CB 3.42Å; E178-A182 PolarHBondContact O-N 2.82Å
179Q97.7Very high98.3Very high140 Ų14069 Ų6965%0.65435%0.346SS*.Hα-helixtrans-68.7-42.8177.8-61.6179.85.900111.9V176 A177 A182 Y183V176-Q179 PolarHBondContact O-N 2.95Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.74Å; Q179-A182 PolarHBondContact O-N 3.19Å; Q179-Y183 PolarHBondContact O-N 2.77Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180L98.1Very high98.2Very high20 Ų2067.2 Ų67.211%0.10535%0.345CS..Hα-helixtrans-66-43.2177.7-69.5172.8000111.2D138 L150 W157 V176 A177 A182 Y183 L184D138-L180 HydrophobicContact CB-CD1 4.2Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L180 HydrophobicContact CD2-CD1 4.43Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å; W157-L180 HydrophobicContact CZ3-CD1 4.5Å; V176-L180 HydrophobicContact CG1-CD1 3.89Å; V176-L180 HydrophobicContact CG1-CG 4.23Å; V176-L180 PolarHBondContact O-N 3.48Å; A177-L180 PolarHBondContact O-N 2.73Å; L180-A182 PolarHBondContact O-N 2.97Å; L180-Y183 PolarHBondContact O-N 3.29Å; L180-L184 WeakPolarHBondContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.37Å; L180-L184 PolarHBondContact O-N 3.22Å
181R98.4Very high98.2Very high107 Ų10764.6 Ų64.640%0.40433%0.332SS..Hα-helixtrans-57.3-48.5174.4-177.5179.4175.8160.313.3111.5L154 A177 Y183 L184 E185L154-R181 HydrophobicContact CB-CB 4.15Å; L154-R181 HydrophobicContact CB-CG 4Å; L154-R181 HydrophobicContact CD1-CG 4.35Å; A177-R181 VanDerWaalsContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.2Å; A177-R181 PolarHBondContact O-N 3.26Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 3.41Å; R181-L184 PolarHBondContact O-N 2.89Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 WeakPolarHBondContact CG-OE2 3.44Å; R181-E185 IonicContact CZ-OE1 2.98Å; R181-E185 IonicContact CZ-OE2 3.64Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.82Å; R181-E185 PolarHBondContact NE-OE1 3.18Å; R181-E185 IonicContact NE-OE2 3.73Å; R181-E185 PolarHBondContact NE-OE2 2.8Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 3Å; R181-E185 IonicContact NH2-OE2 3.82Å; R181-E185 WeakPolarHBondContact O-CB 3.3Å; R181-E185 PolarHBondContact O-N 3Å
182A98.4Very high98.2Very high67 Ų6761.6 Ų61.655%0.55432%0.32SS*.Hα-helixtrans-59.3-38177.600000112.6E178 Q179 L180 G186E178-A182 WeakPolarHBondContact O-CB 3.42Å; E178-A182 PolarHBondContact O-N 2.82Å; Q179-A182 PolarHBondContact O-N 3.19Å; L180-A182 PolarHBondContact O-N 2.97Å; A182-G186 PolarHBondContact O-N 2.77Å
183Y98.3Very high98.2Very high59 Ų5962.9 Ų62.923%0.23132%0.321CS..Iπ-helixtrans-67.9-48.3173.5170.8-96.8000112.3Y123 Q179 L180 R181 G186 L187 C188Y123-Y183 AromaticContact CD2-CE1 3.83Å; Y123-Y183 HydrophobicContact CD2-CE1 3.83Å; Y123-Y183 AromaticContact CE2-CE1 3.65Å; Y123-Y183 HydrophobicContact CE2-CE1 3.65Å; Y123-Y183 AromaticContact CE2-CZ 3.9Å; Q179-Y183 PolarHBondContact O-N 2.77Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; L180-Y183 PolarHBondContact O-N 3.29Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 3.41Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.91Å; Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.17Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 3.29Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 3Å
184L98.6Very high98.1Very high1 Ų164.6 Ų64.61%0.00531%0.309CS..Iπ-helixtrans-69.8-39.4-173.8-70.5171.2000112.5G124 L150 L154 L180 R181 V189G124-L184 WeakPolarHBondContact O-CD2 3.36Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å; L154-L184 HydrophobicContact CD2-CD1 4.04Å; L180-L184 WeakPolarHBondContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.37Å; L180-L184 PolarHBondContact O-N 3.22Å; R181-L184 PolarHBondContact O-N 2.89Å; L184-V189 WeakPolarHBondContact O-CG2 3.11Å
185E98.1Very high98.1Very high87 Ų8761.9 Ų61.941%0.40729%0.286SS..Iπ-helixtrans-79.9-24177.1-68-179.916000113L133 L154 R181L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L154-E185 HydrophobicContact CD1-CG 4.14Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 WeakPolarHBondContact CG-OE2 3.44Å; R181-E185 IonicContact CZ-OE1 2.98Å; R181-E185 IonicContact CZ-OE2 3.64Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.82Å; R181-E185 PolarHBondContact NE-OE1 3.18Å; R181-E185 IonicContact NE-OE2 3.73Å; R181-E185 PolarHBondContact NE-OE2 2.8Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 3Å; R181-E185 IonicContact NH2-OE2 3.82Å; R181-E185 WeakPolarHBondContact O-CB 3.3Å; R181-E185 PolarHBondContact O-N 3Å
186G97.8Very high98.1Very high21 Ų2155.2 Ų55.222%0.21626%0.262CS..Iπ-helixtrans-107.7-92.3-17800000112.9A182 Y183 C188 V189 E190A182-G186 PolarHBondContact O-N 2.77Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.91Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.88Å; G186-V189 PolarHBondContact O-N 3.25Å; G186-V189 VanDerWaalsContact O-N 3.1Å; G186-E190 WeakPolarHBondContact O-CG 3.48Å; G186-E190 PolarHBondContact O-N 3.45Å
187L97.6Very high98Very high66 Ų6659.6 Ų59.635%0.34628%0.28SS..Iπ-helixtrans-56.2-39.4-170.1-70.6177.2000113.4Y183 E190 W191Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.17Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 3.29Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; L187-E190 PolarHBondContact O-N 2.94Å; L187-W191 WeakPolarHBondContact O-CB 3.14Å; L187-W191 PolarHBondContact O-N 3.07Å
188C98.4Very high97.9Very high0 Ų061.6 Ų61.60%029%0.29CS..Hα-helixtrans-61.2-47.3179-170.40000111.2M29 C125 Y183 G186 L192M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.45Å; M29-C188 WeakPolarHBondContact CE-SG 3.38Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 3.34Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 PolarHBondContact SG-O 3.48Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.07Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.32Å; Y183-C188 PolarHBondContact O-N 3Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.88Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 3.01Å
189V98.3Very high97.8Very high6 Ų656.6 Ų56.64%0.03627%0.267CS..Hα-helixtrans-63.1-45.6177.8177.80000111L127 L133 L184 G186 L192 R193L127-V189 HydrophobicContact CD1-CG1 4.4Å; L127-V189 HydrophobicContact CD2-CB 4.2Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.87Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.08Å; L184-V189 WeakPolarHBondContact O-CG2 3.11Å; G186-V189 PolarHBondContact O-N 3.25Å; G186-V189 VanDerWaalsContact O-N 3.1Å; V189-L192 PolarHBondContact O-N 3.12Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.82Å
190E98.1Very high97.6Very high117 Ų11755.1 Ų55.155%0.54726%0.259SS..Hα-helixtrans-60.6-48.2179.5-71.5175.6-178.400112G186 L187 R193 R194G186-E190 WeakPolarHBondContact O-CG 3.48Å; G186-E190 PolarHBondContact O-N 3.45Å; L187-E190 PolarHBondContact O-N 2.94Å; E190-R193 PolarHBondContact O-N 3.44Å; E190-R194 PolarHBondContact O-N 3.37Å
191W98.3Very high97.3Very high61 Ų6162.2 Ų62.223%0.23129%0.291CS..Hα-helixtrans-66.8-42.6179.1-82.7110.1000112.3M29 Y83 L187 R193 R194 Y195M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.42Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.07Å; Y83-W191 AromaticContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CD2-CZ3 3.95Å; Y83-W191 HydrophobicContact CE2-CE3 4.45Å; Y83-W191 AromaticContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CZ2 4.36Å; Y83-W191 AromaticContact CE2-CZ3 3.95Å; Y83-W191 HydrophobicContact CE2-CZ3 3.95Å; L187-W191 WeakPolarHBondContact O-CB 3.14Å; L187-W191 PolarHBondContact O-N 3.07Å; W191-R193 PolarHBondContact O-N 3.33Å; W191-R194 WeakPolarHBondContact O-CB 3.17Å; W191-R194 PolarHBondContact O-N 3.25Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.33Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.34Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.8Å; W191-Y195 HydrophobicContact CZ3-CE1 3.8Å; W191-Y195 WeakPolarHBondContact O-CD2 3.21Å; W191-Y195 PolarHBondContact O-N 2.71Å
192L98.5Very high97.1Very high0 Ų059.1 Ų59.10%028%0.284CS..Hα-helixtrans-60.8-44.5177.2174.950.8000111.3H27 M29 V52 L127 C188 V189 R194 Y195 L196H27-L192 HydrophobicContact CB-CD1 4.46Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CB-CD2 4.46Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.64Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CG-CD2 3.56Å; L127-L192 HydrophobicContact CG-CG 4.23Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 3.01Å; V189-L192 PolarHBondContact O-N 3.12Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.9Å; L192-Y195 PolarHBondContact O-N 3.41Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.85Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 2.89Å
193R97.3Very high96.9Very high121 Ų12156.1 Ų56.146%0.45726%0.259SS..Hα-helixtrans-59.3-43.9174.3-72.6175.7-176.6161.2-0.7112.2L127 G131 V189 E190 W191 L196 E197L127-R193 HydrophobicContact CD1-CG 3.97Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.04Å; G131-R193 PolarHBondContact O-NH2 3.49Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.82Å; E190-R193 PolarHBondContact O-N 3.44Å; W191-R193 PolarHBondContact O-N 3.33Å; R193-L196 PolarHBondContact O-N 3.1Å; R193-E197 PolarHBondContact O-N 2.8Å
194R97.5Very high96.6Very high124 Ų12457.5 Ų57.547%0.46827%0.268SS..Hα-helixtrans-61-44.3176.1179178.5173.8114.3-7.4111.6E79 E190 W191 L192 E197 N198E79-R194 IonicContact OE1-CZ 3.67Å; E79-R194 IonicContact OE1-NE 3.6Å; E79-R194 PolarHBondContact OE1-NE 2.93Å; E79-R194 IonicContact OE1-NH2 3.35Å; E79-R194 PolarHBondContact OE1-NH2 2.89Å; E79-R194 IonicContact OE2-CZ 2.94Å; E79-R194 IonicContact OE2-NE 3.95Å; E79-R194 IonicContact OE2-NH2 2.7Å; E79-R194 PolarHBondContact OE2-NH2 3.27Å; E190-R194 PolarHBondContact O-N 3.37Å; W191-R194 WeakPolarHBondContact O-CB 3.17Å; W191-R194 PolarHBondContact O-N 3.25Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.9Å; R194-E197 PolarHBondContact O-N 3.12Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.29Å; R194-N198 PolarHBondContact O-OD1 3.43Å
195Y98Very high96.3Very high2 Ų263.1 Ų63.11%0.00829%0.289CS..Hα-helixtrans-66.4-39.3178.6-61.9-26.3000112.5M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.96Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å; W75-Y195 HydrophobicContact CH2-CG 4.28Å; W75-Y195 AromaticContact CZ3-CD1 3.83Å; W75-Y195 HydrophobicContact CZ3-CD1 3.83Å; W75-Y195 HydrophobicContact CZ3-CD2 4.41Å; W75-Y195 AromaticContact CZ3-CG 3.74Å; W75-Y195 HydrophobicContact CZ3-CG 3.74Å; I76-Y195 HydrophobicContact CD1-CD1 3.86Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.45Å; Y83-Y195 PolarHBondContact OH-OH 3.27Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.33Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.34Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.8Å; W191-Y195 HydrophobicContact CZ3-CE1 3.8Å; W191-Y195 WeakPolarHBondContact O-CD2 3.21Å; W191-Y195 PolarHBondContact O-N 2.71Å; L192-Y195 PolarHBondContact O-N 3.41Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.06Å; Y195-N198 PolarHBondContact O-N 3.17Å; Y195-G199 WeakPolarHBondContact O-CA 3.5Å; Y195-G199 PolarHBondContact O-N 2.78Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å
196L96.8Very high96.2Very high15 Ų1560.5 Ų60.58%0.07928%0.282CS..Hα-helixtrans-63.1-36.5174.9-71169.2000112.4H27 V52 L192 R193 K200 L203 Q204H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.48Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.85Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 2.89Å; R193-L196 PolarHBondContact O-N 3.1Å; L196-K200 WeakPolarHBondContact O-CA 3.49Å; L196-K200 WeakPolarHBondContact O-CB 3.26Å; L196-K200 PolarHBondContact O-N 2.82Å; L196-K200 VanDerWaalsContact O-N 3.1Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; L196-Q204 HydrophobicContact CD2-CG 4.45Å; L196-Q204 PolarHBondContact O-NE2 3.5Å
197E96.3Very high96.2Very high121 Ų12161.3 Ų61.357%0.56528%0.281SS*.Hα-helixtrans-71.5-49.7174.6-17358.5-153.700111.1R193 R194 Y195 G199 K200R193-E197 PolarHBondContact O-N 2.8Å; R194-E197 PolarHBondContact O-N 3.12Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.06Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 2.66Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 2.8Å
198N96.9Very high96.2Very high50 Ų5061.3 Ų61.327%0.26729%0.285SS..Hα-helixtrans-57.9-39178.5-78.62.9000112.9W75 Q78 E79 R194 Y195W75-N198 WeakPolarHBondContact CB-O 3.4Å; Q78-N198 PolarHBondContact NE2-ND2 2.87Å; E79-N198 PolarHBondContact OE1-ND2 2.62Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.29Å; R194-N198 PolarHBondContact O-OD1 3.43Å; Y195-N198 PolarHBondContact O-N 3.17Å
199G96.1Very high96.2Very high3 Ų361.7 Ų61.73%0.03129%0.288CS..THydrogen-bonded Turntrans-10314.2-176.100000114.1Y195 E197 E201 T202 L203Y195-G199 WeakPolarHBondContact O-CA 3.5Å; Y195-G199 PolarHBondContact O-N 2.78Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 2.66Å; G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.29Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.56Å; G199-T202 WeakPolarHBondContact O-CA 3.3Å; G199-T202 PolarHBondContact O-N 3.01Å; G199-T202 PolarHBondContact O-OG1 2.85Å; G199-L203 PolarHBondContact O-N 2.82Å
200K94.3Very high96.2Very high109 Ų10968.9 Ų68.947%0.47432%0.318SS..Hα-helixtrans-48.7-44.6-168.9-178.5173.6-174.7173.90114.9L196 E197 T202 Q204L196-K200 WeakPolarHBondContact O-CA 3.49Å; L196-K200 WeakPolarHBondContact O-CB 3.26Å; L196-K200 PolarHBondContact O-N 2.82Å; L196-K200 VanDerWaalsContact O-N 3.1Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 2.8Å; K200-T202 PolarHBondContact O-N 3.04Å; K200-T202 VanDerWaalsContact O-N 3.15Å; K200-Q204 WeakPolarHBondContact O-CB 3.25Å; K200-Q204 PolarHBondContact O-N 3.26Å
201E92.4Very high96.2Very high170 Ų17065 Ų6579%0.79430%0.303SS*.Hα-helixtrans-62.3-22.9179.7-62.2-173.7163.900113.6G199 R205G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.29Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CB 3.47Å; E201-R205 PolarHBondContact O-NH1 2.99Å
202T93Very high96.1Very high42 Ų4265.9 Ų65.926%0.25831%0.31SS..Hα-helixtrans-102.4-69.3177.456.10000110.2G199 K200 Q204 R205 R263G199-T202 CarbonylContact O-C 3.56Å; G199-T202 WeakPolarHBondContact O-CA 3.3Å; G199-T202 PolarHBondContact O-N 3.01Å; G199-T202 PolarHBondContact O-OG1 2.85Å; K200-T202 PolarHBondContact O-N 3.04Å; K200-T202 VanDerWaalsContact O-N 3.15Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.02Å; T202-R205 WeakPolarHBondContact O-CB 3.36Å; T202-R205 PolarHBondContact O-N 2.78Å; T202-R263 VanDerWaalsContact C-NH2 3.26Å; T202-R263 VanDerWaalsContact CA-NH1 3.28Å; T202-R263 VanDerWaalsContact CB-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 2.86Å; T202-R263 PolarHBondContact O-NH2 2.81Å
203L93.8Very high96.1Very high4 Ų467 Ų672%0.02132%0.316CS..Hα-helixtrans-60.2-34-168.7-62.4172.1000114.2V52 T55 W75 Y195 L196 G199 R205V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.13Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.36Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; G199-L203 PolarHBondContact O-N 2.82Å; L203-R205 VanDerWaalsContact C-N 3.35Å
204Q92.1Very high96.1Very high88 Ų8862.9 Ų62.941%0.41130%0.304SS..THydrogen-bonded Turntrans-9612.1179.9-58.2-179.43700112.8L196 K200 T202L196-Q204 HydrophobicContact CD2-CG 4.45Å; L196-Q204 PolarHBondContact O-NE2 3.5Å; K200-Q204 WeakPolarHBondContact O-CB 3.25Å; K200-Q204 PolarHBondContact O-N 3.26Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.02Å
205R93.5Very high96Very high119 Ų11959.5 Ų59.545%0.44929%0.294SS..  trans-106.2117.4176.2-170.5-175.378.5-147.64.7110E201 T202 L203 D207 Y233 R263E201-R205 WeakPolarHBondContact O-CB 3.47Å; E201-R205 PolarHBondContact O-NH1 2.99Å; T202-R205 WeakPolarHBondContact O-CB 3.36Å; T202-R205 PolarHBondContact O-N 2.78Å; L203-R205 VanDerWaalsContact C-N 3.35Å; R205-D207 IonicContact CZ-OD1 3.57Å; R205-D207 IonicContact CZ-OD2 3.69Å; R205-D207 IonicContact NE-OD1 2.8Å; R205-D207 PolarHBondContact NE-OD1 2.76Å; R205-D207 IonicContact NE-OD2 3.51Å; R205-D207 IonicContact NH2-OD1 3.53Å; R205-D207 IonicContact NH2-OD2 2.95Å; R205-D207 PolarHBondContact NH2-OD2 3.15Å; R205-Y233 WeakPolarHBondContact O-CD1 3.35Å; R205-R263 PolarHBondContact O-NH2 2.94Å
206A95.3Very high95.8Very high32 Ų3263.2 Ų63.226%0.26431%0.311SS..PPolyproline II helixtrans-86.3126.4166.800000110.2Y233 E288A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.24Å; A206-E288 HydrophobicContact CB-CB 4.46Å; A206-E288 HydrophobicContact CB-CG 4.36Å
207D96.8Very high95.7Very high38 Ų3867.2 Ų67.220%0.20334%0.338CS..BIsolated β-bridgetrans-99.9116.5175.3-67.8-32.9000107.7R205 F232 Y233 H287R205-D207 IonicContact CZ-OD1 3.57Å; R205-D207 IonicContact CZ-OD2 3.69Å; R205-D207 IonicContact NE-OD1 2.8Å; R205-D207 PolarHBondContact NE-OD1 2.76Å; R205-D207 IonicContact NE-OD2 3.51Å; R205-D207 IonicContact NH2-OD1 3.53Å; R205-D207 IonicContact NH2-OD2 2.95Å; R205-D207 PolarHBondContact NH2-OD2 3.15Å; D207-F232 CarbonylContact O-C 3.58Å; D207-F232 WeakPolarHBondContact O-CA 3.43Å; D207-F232 WeakPolarHBondContact O-CB 3.21Å; D207-Y233 PolarHBondContact N-O 2.97Å; D207-Y233 PolarHBondContact O-N 2.85Å; D207-H287 PolarHBondContact O-CE1 2.92Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å
208P97.7Very high95.4Very high65 Ų6566 Ų6642%0.42234%0.338SS..PPolyproline II helixtrans-70.3149.8-176.124.4-32.2000112.8K210 G289 L290P208-K210 PolarHBondContact O-N 3.02Å; P208-G289 WeakPolarHBondContact CB-O 3.42Å; P208-L290 HydrophobicContact CB-CD2 3.88Å; P208-L290 HydrophobicContact CB-CG 4.43Å
209P98.3Very high95.2Very high9 Ų966 Ų666%0.05834%0.343CS..PPolyproline II helixtrans-68.5133.3179.428.5-35.5000112.4T211 A229 F232 I237 V285 H287 L290P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.16Å; P209-T211 PolarHBondContact O-N 3.4Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.1Å; P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.07Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210K98.4Very high94.8Very high156 Ų15673 Ų7368%0.67838%0.379SS*.EExtended strand (participates in β ladder)trans-77.6112.6163.2-64.1173.2-174169.80107.9P208 L230P208-K210 PolarHBondContact O-N 3.02Å; K210-L230 PolarHBondContact N-O 3.42Å; K210-L230 PolarHBondContact O-N 3.02Å
211T98.2Very high94.8Very high37 Ų3774.7 Ų74.723%0.22739%0.389CS..EExtended strand (participates in β ladder)trans-112.8143-171.851.30000112.1P209 W228 A229 V285 L294 L296P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.16Å; P209-T211 PolarHBondContact O-N 3.4Å; T211-W228 WeakPolarHBondContact CA-O 3.48Å; T211-A229 HydrophobicContact CG2-CB 4.25Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; T211-L294 HydrophobicContact CG2-CD1 4.38Å; T211-L296 HydrophobicContact CG2-CD1 4.46Å
212H97.4Very high94.9Very high79 Ų7971.1 Ų71.137%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-159.4158.5172.363.4-75.3000110.4W228H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3.2Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 3.19Å
213V98.3Very high95.1Very high22 Ų2269.1 Ų69.113%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-111.6129.8176.2-179.10000109.2L225 R226 C227 W241 L296 W298V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.42Å; V213-R226 WeakPolarHBondContact CA-O 3.36Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214T96.8Very high95.2Very high35 Ų3570 Ų7022%0.21537%0.365CS..EExtended strand (participates in β ladder)trans-108.1146.9174.452.30000110.3H216 L225 R226 W228T214-H216 PolarHBondContact OG1-CE1 2.94Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; T214-L225 WeakPolarHBondContact O-CA 3.41Å; T214-R226 PolarHBondContact N-O 2.63Å; T214-R226 PolarHBondContact O-N 2.93Å; T214-R226 WeakPolarHBondContact OG1-CB 3.39Å; T214-R226 PolarHBondContact OG1-O 2.94Å; T214-W228 PolarHBondContact OG1-NE1 2.7Å
215H96.1Very high95.5Very high53 Ų5365.8 Ų65.825%0.24535%0.346CS..EExtended strand (participates in β ladder)trans-120.4126.1-178.8168.9-94.8000109.6A223 L225 E278 W298H215-A223 WeakPolarHBondContact NE2-CB 3.44Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-E278 IonicContact NE2-OE1 3.94Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact ND1-CZ2 3.91Å
216H94.5Very high95.8Very high81 Ų8162.7 Ų62.738%0.37533%0.334SS..EExtended strand (participates in β ladder)trans-127.7104.6-179-58.180.8000108.8T214 V218 A223 T224 R226T214-H216 PolarHBondContact OG1-CE1 2.94Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; H216-V218 PolarHBondContact O-N 3.35Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; H216-T224 PolarHBondContact N-O 3.26Å; H216-T224 PolarHBondContact O-N 3Å; H216-R226 PolarHBondContact CE1-NH1 3.17Å
217P93.4Very high95.9Very high98 Ų9861.1 Ų61.164%0.63632%0.321SS*.EExtended strand (participates in β ladder)trans-57.7130.9172.6-21.231.4000110.6
218V90.8Very high96Very high95 Ų9561.6 Ų61.658%0.57632%0.32SS*.  trans-104.6-41176.6-178.30000110H216 E222 T224H216-V218 PolarHBondContact O-N 3.35Å; V218-E222 PolarHBondContact N-O 3.17Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.42Å
219S91.9Very high96Very high52 Ų5258.5 Ų58.536%0.36430%0.3SS..SBendtrans-147.3-179.1174.472.70000110.4H221 E222S219-H221 PolarHBondContact O-N 3.01Å; S219-H221 PolarHBondContact OG-N 3.3Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 2.97Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 2.95Å
220D89.1Confident96Very high149 Ų14960.6 Ų60.680%0.79731%0.311SS*.SBendtrans-62.7-20.5172.7-66.2-23.7000112.5S275D220-S275 PolarHBondContact O-OG 3.47Å
221H93Very high96Very high145 Ų14554.3 Ų54.367%0.67129%0.29SS*.SBendtrans-106-15.2-174.5-55.7-51.2000113.9S219 P274 S275S219-H221 PolarHBondContact O-N 3.01Å; S219-H221 PolarHBondContact OG-N 3.3Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.39Å; H221-S275 PolarHBondContact O-N 3.39Å; H221-S275 PolarHBondContact O-OG 2.83Å
222E95.1Very high96Very high94 Ų9452.5 Ų52.544%0.43928%0.279SS..EExtended strand (participates in β ladder)trans-144.6145.6-171.5-65.7-179.7163.400112.8V218 S219 V272 V273 S275V218-E222 PolarHBondContact N-O 3.17Å; S219-E222 PolarHBondContact N-O 2.97Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 2.95Å; E222-V272 HydrophobicContact CB-CG1 4.05Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; E222-V273 WeakPolarHBondContact CA-O 3.4Å; E222-S275 PolarHBondContact N-OG 2.61Å
223A95.9Very high96Very high1 Ų149 Ų491%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-134.7153.2171.800000111H215 H216 V273H215-A223 WeakPolarHBondContact NE2-CB 3.44Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 2.84Å; A223-V273 WeakPolarHBondContact O-CG2 3.17Å; A223-V273 PolarHBondContact O-N 2.95Å
224T97.6Very high95.9Very high22 Ų2248.7 Ų48.714%0.13526%0.261CS..EExtended strand (participates in β ladder)trans-94.4121.8169.8-56.20000109.8H216 V218 A270 V271H216-T224 PolarHBondContact N-O 3.26Å; H216-T224 PolarHBondContact O-N 3Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.42Å; T224-A270 HydrophobicContact CG2-CB 3.89Å; T224-V271 WeakPolarHBondContact CA-O 3.45Å
225L98.1Very high95.9Very high0 Ų047.8 Ų47.80%026%0.257CS..EExtended strand (participates in β ladder)trans-92.3125.7164.3-63.6-175.4000109V213 T214 H215 W241 A270 V271 V273 E278 W298V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.42Å; T214-L225 WeakPolarHBondContact O-CA 3.41Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.33Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.38Å; L225-V271 PolarHBondContact O-N 2.94Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.44Å; L225-W298 HydrophobicContact CD2-CG 4Å
226R98.3Very high96Very high53 Ų5350.6 Ų50.620%0.227%0.27CS..EExtended strand (participates in β ladder)trans-121.4117.1176.2-177.2-178.5-63.2115.72.1110.4V213 T214 H216 W228 W268 A269 A270V213-R226 WeakPolarHBondContact CA-O 3.36Å; T214-R226 PolarHBondContact N-O 2.63Å; T214-R226 PolarHBondContact O-N 2.93Å; T214-R226 WeakPolarHBondContact OG1-CB 3.39Å; T214-R226 PolarHBondContact OG1-O 2.94Å; H216-R226 PolarHBondContact CE1-NH1 3.17Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.38Å; R226-A270 HydrophobicContact CB-CB 4.04Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227C98.4Very high96.1Very high0 Ų047.1 Ų47.10%026%0.255CS..EExtended strand (participates in β ladder)trans-90122.2174.9-173.20000109.6V213 W241 W268 A269 C283V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.3Å; C227-W268 WeakPolarHBondContact O-CB 3.48Å; C227-A269 PolarHBondContact N-O 2.97Å; C227-A269 PolarHBondContact O-N 3.29Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.09Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.02Å
228W98.5Very high96.3Very high47 Ų4744.7 Ų44.718%0.17824%0.238CC..EExtended strand (participates in β ladder)trans-104.4142179.9-70.490.5000110.8T211 H212 T214 R226 L230 W268T211-W228 WeakPolarHBondContact CA-O 3.48Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.95Å; H212-W228 AromaticContact CE1-CG 3.7Å; H212-W228 PolarHBondContact N-O 3.2Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 3.19Å; T214-W228 PolarHBondContact OG1-NE1 2.7Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.4Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229A98.6Very high96.6Very high0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-124.9122.9162.400000107.9P209 T211 F232 I237 L239 Q266 K267P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.25Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.43Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.31Å; A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 2.98Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230L98.5Very high96.9Very high53 Ų5339.9 Ų39.928%0.27721%0.206SC..EExtended strand (participates in β ladder)trans-130.8147.6-174.7-59.2177.1000111.1K210 W228 F232 Q266K210-L230 PolarHBondContact N-O 3.42Å; K210-L230 PolarHBondContact O-N 3.02Å; W228-L230 HydrophobicContact CE3-CD2 3.87Å; W228-L230 HydrophobicContact CZ3-CD2 4.4Å; L230-F232 PolarHBondContact O-N 3.26Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231G97.9Very high97.4Very high24 Ų2432.9 Ų32.925%0.24717%0.169CC..EExtended strand (participates in β ladder)trans70.829.5167.400000114.2F265G231-F265 PolarHBondContact N-O 2.83Å
232F98.2Very high97.6Very high0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-102.2155.6-178.959.6-89000113.1D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287D207-F232 CarbonylContact O-C 3.58Å; D207-F232 WeakPolarHBondContact O-CA 3.43Å; D207-F232 WeakPolarHBondContact O-CB 3.21Å; P209-F232 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.1Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.43Å; L230-F232 PolarHBondContact O-N 3.26Å; F232-P234 VanDerWaalsContact CD2-O 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.27Å; F232-I237 HydrophobicContact CD1-CD1 3.92Å; F232-I237 HydrophobicContact CD2-CB 4.31Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.16Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.59Å; F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.96Å; F232-T264 CarbonylContact O-C 3.57Å; F232-T264 WeakPolarHBondContact O-CA 3.33Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.21Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.82Å; F232-F265 PolarHBondContact O-N 2.91Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.67Å
233Y97.1Very high97.7Very high4 Ų426.7 Ų26.72%0.01614%0.137CC..BIsolated β-bridgetrans-149.4136.8172178.2-81.7000108.9D54 T55 R205 A206 D207 R263 F265 H287D54-Y233 HydrophobicContact CB-CE2 3.96Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.33Å; T55-Y233 PolarHBondContact OG1-OH 2.81Å; R205-Y233 WeakPolarHBondContact O-CD1 3.35Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.24Å; D207-Y233 PolarHBondContact N-O 2.97Å; D207-Y233 PolarHBondContact O-N 2.85Å; Y233-R263 HydrophobicContact CD2-CG 3.84Å; Y233-R263 HydrophobicContact CE2-CG 4.03Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; Y233-H287 PolarHBondContact O-CE1 2.8Å
234P96.4Very high97.7Very high17 Ų1731.3 Ų31.311%0.1116%0.162CC..SBendcis-71.7179.51.630.3-36.4000113.3D54 F232 E236 H287 E288D54-P234 WeakPolarHBondContact OD2-CB 3.38Å; F232-P234 VanDerWaalsContact CD2-O 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.27Å; P234-E236 VanDerWaalsContact C-N 3.35Å; P234-H287 PolarHBondContact O-NE2 2.86Å; P234-E288 WeakPolarHBondContact CG-OE2 3.41Å
235A97.3Very high97.4Very high15 Ų1532.6 Ų32.612%0.12418%0.179CC..SBendtrans-70.8-28.5-175.900000113.6D54 I237 T257 F265D54-A235 HydrophobicContact CB-CB 4.36Å; D54-A235 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 PolarHBondContact OD2-N 2.81Å; A235-I237 PolarHBondContact O-N 2.62Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.43Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.64Å
236E96.6Very high97.3Very high112 Ų11239.5 Ų39.552%0.52321%0.211SC..  trans-60.5124.8178.2-159.631.7-115.600108.5W23 P234 H287W23-E236 HydrophobicContact CE3-CB 4.38Å; W23-E236 HydrophobicContact CE3-CG 4.23Å; W23-E236 HydrophobicContact CH2-CB 3.95Å; W23-E236 HydrophobicContact CH2-CG 3.39Å; W23-E236 HydrophobicContact CZ2-CG 3.92Å; W23-E236 HydrophobicContact CZ3-CB 3.66Å; W23-E236 HydrophobicContact CZ3-CG 3.56Å; W23-E236 VanDerWaalsContact CZ3-O 3.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.49Å; P234-E236 VanDerWaalsContact C-N 3.35Å; E236-H287 PolarHBondContact O-CD2 3.46Å
237I97.3Very high97.2Very high9 Ų941.5 Ų41.55%0.04623%0.226CC..  trans-162142.3-176.6-165.3170.7000109.3P209 A229 F232 A235 L239 K267 V285 Q286 H287P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; A229-I237 HydrophobicContact CB-CD1 3.72Å; F232-I237 HydrophobicContact CD1-CD1 3.92Å; F232-I237 HydrophobicContact CD2-CB 4.31Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.16Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.59Å; A235-I237 PolarHBondContact O-N 2.62Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; I237-V285 HydrophobicContact CD1-CG1 4.06Å; I237-V285 HydrophobicContact CG1-CG1 4.39Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; I237-H287 HydrophobicContact CD1-CB 4.32Å; I237-H287 HydrophobicContact CG1-CB 4.09Å
238T97.8Very high97Very high46 Ų4642.7 Ų42.728%0.28223%0.232SC..EExtended strand (participates in β ladder)trans-113.6122.7174.5-58.50000110.6T240 V285 Q286T238-T240 HydrophobicContact CG2-CG2 4.09Å; T238-V285 WeakPolarHBondContact O-CA 3.19Å; T238-Q286 PolarHBondContact N-O 2.99Å; T238-Q286 PolarHBondContact O-N 2.91Å
239L97.9Very high96.6Very high7 Ų745.6 Ų45.64%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-117.7124.3172.3-86.663.5000108.7A229 I237 L254 K267 A269 H284 V285A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; L239-H284 WeakPolarHBondContact CA-O 3.06Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240T97.8Very high96.2Very high39 Ų3954.6 Ų54.624%0.23930%0.297CS..EExtended strand (participates in β ladder)trans-135.6145.1178.747.40000111T238 C283 H284T238-T240 HydrophobicContact CG2-CG2 4.09Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.33Å; T240-H284 PolarHBondContact N-O 3.21Å; T240-H284 PolarHBondContact O-N 2.92Å; T240-H284 WeakPolarHBondContact OG1-CB 3.36Å
241W98.3Very high95.7Very high2 Ų257.4 Ų57.41%0.00831%0.312CS..EExtended strand (participates in β ladder)trans-102.1137.4169.4-82.7106000110V213 L225 C227 Q248 A269 V271 T282 C283V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.21Å; W241-A269 PolarHBondContact NE1-O 3.27Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.38Å; W241-T282 WeakPolarHBondContact CA-O 3.49Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242Q98Very high95.6Very high40 Ų4057.4 Ų57.419%0.18731%0.307CS..EExtended strand (participates in β ladder)trans-121.8145.2171.5-69.8-173.7-9.400110.2E246 D247 Y281 T282 H284Q242-E246 CarbonylContact C-O 3.51Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.33Å; Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 3.3Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; Q242-T282 PolarHBondContact N-O 3.38Å; Q242-T282 PolarHBondContact O-N 2.81Å; Q242-H284 PolarHBondContact OE1-CE1 2.81Å; Q242-H284 PolarHBondContact OE1-NE2 3.23Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.15Å
243R97.5Very high95.5Very high70 Ų7062.9 Ų62.926%0.26433%0.333SS..EExtended strand (participates in β ladder)trans-116.6118.4168-178-173.1-176.3176.50.7108.1G245 E246 Q248 E277 R280 Y281R243-G245 PolarHBondContact O-N 2.84Å; R243-E246 PolarHBondContact N-O 3.3Å; R243-E246 PolarHBondContact O-N 3.15Å; R243-Q248 HydrophobicContact CB-CG 3.97Å; R243-E277 IonicContact CZ-OE2 3.64Å; R243-E277 IonicContact NE-OE2 3.93Å; R243-E277 IonicContact NH2-OE1 3.62Å; R243-E277 IonicContact NH2-OE2 2.72Å; R243-E277 PolarHBondContact NH2-OE2 3.27Å; R243-R280 WeakPolarHBondContact CA-O 3.35Å; R243-R280 HydrophobicContact CG-CB 4.44Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 HydrophobicContact CG-CD2 4.5Å; R243-Y281 HydrophobicContact CG-CE1 4.14Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å
244D95.6Very high95.5Very high98 Ų9866.9 Ų66.952%0.52435%0.354SS..THydrogen-bonded Turntrans50.528.5-175.9-53.9-51.7000114.4R280D244-R280 PolarHBondContact N-O 3.15Å; D244-R280 IonicContact OD1-NE 3.2Å; D244-R280 PolarHBondContact OD1-NE 3.23Å; D244-R280 IonicContact OD2-CZ 3.55Å; D244-R280 IonicContact OD2-NE 3.12Å; D244-R280 PolarHBondContact OD2-NE 3.47Å; D244-R280 IonicContact OD2-NH2 3.94Å; D244-R280 PolarHBondContact OD2-NH2 2.89Å
245G91.8Very high95.5Very high48 Ų4867.6 Ų67.650%0.49536%0.358SS..THydrogen-bonded Turntrans91.6-0.5-177.700000115.6R243R243-G245 PolarHBondContact O-N 2.84Å
246E95.9Very high95.5Very high145 Ų14574.6 Ų74.668%0.67839%0.388SS*.EExtended strand (participates in β ladder)trans-98.7128.2176-63.1-173.3169.700111.7Q242 R243 Q248Q242-E246 CarbonylContact C-O 3.51Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.33Å; R243-E246 PolarHBondContact N-O 3.3Å; R243-E246 PolarHBondContact O-N 3.15Å; E246-Q248 PolarHBondContact O-NE2 3.05Å
247D95.3Very high95.6Very high96 Ų9671.2 Ų71.251%0.51338%0.375SS..EExtended strand (participates in β ladder)trans-62.5133.6-179.2-68.4-22.7000112.2Q242Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 3.3Å
248Q95.3Very high95.6Very high25 Ų2575.4 Ų75.412%0.11739%0.39CS..  trans-104.138.7-177.8-57.1-60.6-71.600111.9W241 R243 E246 Q250 D251 T252 Y281W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 3.21Å; R243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-NE2 3.05Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.15Å; Q248-D251 PolarHBondContact O-N 3.11Å; Q248-T252 WeakPolarHBondContact O-CB 3.48Å; Q248-T252 PolarHBondContact O-N 2.84Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.35Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å
249T90.1Very high95.6Very high107 Ų10777.6 Ų77.666%0.65641%0.406SS*.THydrogen-bonded Turntrans-58.8-38-169.1-48.70000113.8
250Q90Very high95.5Very high190 Ų19079.7 Ų79.789%0.88842%0.423SS*.THydrogen-bonded Turntrans-75-31.7-178.3-66.3-174.35.800113Q248 T252Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.15Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251D88.1Confident95.3Very high112 Ų11281.5 Ų81.560%0.59945%0.45SS*.THydrogen-bonded Turntrans-93.41.9-177.9-55.8-55.7000112.5Q248Q248-D251 PolarHBondContact O-N 3.11Å
252T95.3Very high95.1Very high23 Ų2386.6 Ų86.614%0.14148%0.478CS..EExtended strand (participates in β ladder)trans-96.4120.3179.7-63.90000110.7Q248 Q250 L254 A269 A270Q248-T252 WeakPolarHBondContact O-CB 3.48Å; Q248-T252 PolarHBondContact O-N 2.84Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.35Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.92Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.48Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.32Å
253E96.9Very high94.8Very high115 Ų11587.6 Ų87.654%0.53748%0.48SS..EExtended strand (participates in β ladder)trans-76.5106.5163.2-173.3-174.4-172.800108.9W268 A269 A270E253-W268 HydrophobicContact CB-CZ3 4.2Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.3Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.97Å; E253-A270 PolarHBondContact O-N 2.69Å
254L96.9Very high94.8Very high89 Ų8985.1 Ų85.147%0.46647%0.472SS..EExtended strand (participates in β ladder)trans-110.2119.9178-174.467.6000109.7L239 T252 K267 A269L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.92Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
255V96.9Very high95Very high32 Ų3281.7 Ų81.719%0.19445%0.453CS..PPolyproline II helixtrans-84.9153.9175.3-64.80000112.4K267 W268V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.36Å; V255-K267 WeakPolarHBondContact O-CG 3.19Å; V255-K267 PolarHBondContact O-NZ 2.89Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.44Å; V255-W268 PolarHBondContact N-O 2.82Å
256E97.1Very high95.3Very high161 Ų16181.6 Ų81.675%0.75244%0.439SS*.PPolyproline II helixtrans-57.5146.2168-68.1-57.4157.700111.7R258E256-R258 PolarHBondContact O-N 3.38Å
257T98.1Very high95.4Very high41 Ų4175.5 Ų75.525%0.25241%0.411SS..PPolyproline II helixtrans-67.3129.5174.5-56.60000108.5F232 A235 F265 K267F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.96Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.43Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 2.8Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
258R97.6Very high95.6Very high97 Ų9772 Ų7237%0.36639%0.391SS..EExtended strand (participates in β ladder)trans-126.1144-174.968.1-169.8-177-162.80.9111.6E256 F265 Q266E256-R258 PolarHBondContact O-N 3.38Å; R258-F265 WeakPolarHBondContact O-CA 3.03Å; R258-Q266 HydrophobicContact CG-CG 3.53Å; R258-Q266 PolarHBondContact N-O 3.06Å; R258-Q266 WeakPolarHBondContact O-CG 3.33Å; R258-Q266 PolarHBondContact O-N 2.03Å
259P97.4Very high95.7Very high93 Ų9370.9 Ų70.960%0.60439%0.385SS*.EExtended strand (participates in β ladder)trans-68.8145.4178.128.9-34.7000111.1F265P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260A96.6Very high96.1Very high50 Ų5065.9 Ų65.941%0.41336%0.355SS..  trans-90.1-15.1172.900000113D262 T264A260-D262 WeakPolarHBondContact CB-OD1 3.18Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 WeakPolarHBondContact CB-OG1 3.41Å; A260-T264 PolarHBondContact N-O 2.94Å
261G93.1Very high96.5Very high78 Ų7857 Ų5780%0.80431%0.314SS*.SBendtrans96.1-4.8179.200000114.7
262D92.9Very high96.9Very high108 Ų10855.3 Ų55.358%0.57831%0.307SS*.SBendtrans-117.532.4-17965-6.1000112A260 T264A260-D262 WeakPolarHBondContact CB-OD1 3.18Å; D262-T264 PolarHBondContact O-N 2.94Å; D262-T264 WeakPolarHBondContact OD1-CB 2.94Å; D262-T264 PolarHBondContact OD1-N 3.33Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 3.16Å
263R92.9Very high97Very high61 Ų6154.2 Ų54.223%0.2330%0.3CS..SBendtrans73.9-21.1-169.3-177.4-175165.3-141.6-14.7115T202 R205 Y233 F265T202-R263 VanDerWaalsContact C-NH2 3.26Å; T202-R263 VanDerWaalsContact CA-NH1 3.28Å; T202-R263 VanDerWaalsContact CB-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 2.86Å; T202-R263 PolarHBondContact O-NH2 2.81Å; R205-R263 PolarHBondContact O-NH2 2.94Å; Y233-R263 HydrophobicContact CD2-CG 3.84Å; Y233-R263 HydrophobicContact CE2-CG 4.03Å; R263-F265 WeakPolarHBondContact O-CE2 3.12Å
264T97.4Very high96.9Very high18 Ų1850.8 Ų50.811%0.1129%0.288CS..  trans-85.3168.3-178.175.90000113F232 A260 D262F232-T264 CarbonylContact O-C 3.57Å; F232-T264 WeakPolarHBondContact O-CA 3.33Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 WeakPolarHBondContact CB-OG1 3.41Å; A260-T264 PolarHBondContact N-O 2.94Å; D262-T264 PolarHBondContact O-N 2.94Å; D262-T264 WeakPolarHBondContact OD1-CB 2.94Å; D262-T264 PolarHBondContact OD1-N 3.33Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 3.16Å
265F98.4Very high96.7Very high27 Ų2749.3 Ų49.312%0.11829%0.285CS..EExtended strand (participates in β ladder)trans-119.8164.2180-64.2-88.7000111.8D54 G231 F232 Y233 A235 T257 R258 P259 R263D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.76Å; G231-F265 PolarHBondContact N-O 2.83Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.21Å; F232-F265 HydrophobicContact CD2-CB 3.99Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.52Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.82Å; F232-F265 PolarHBondContact O-N 2.91Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.65Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.64Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.03Å; P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.26Å; R263-F265 WeakPolarHBondContact O-CE2 3.12Å
266Q98.4Very high96.5Very high45 Ų4550.9 Ų50.921%0.2131%0.308CS..EExtended strand (participates in β ladder)trans-141.5144.6174.645.7169.9-24.600109.8A229 L230 R258A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.31Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.53Å; R258-Q266 PolarHBondContact N-O 3.06Å; R258-Q266 WeakPolarHBondContact O-CG 3.33Å; R258-Q266 PolarHBondContact O-N 2.03Å
267K98.6Very high96.4Very high18 Ų1845.8 Ų45.88%0.07828%0.284CS..EExtended strand (participates in β ladder)trans-149.5154.1176.9-161.9-176.9-171.370.20108.8A229 F232 I237 L239 L254 V255 T257A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 2.98Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.36Å; V255-K267 WeakPolarHBondContact O-CG 3.19Å; V255-K267 PolarHBondContact O-NZ 2.89Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 2.8Å; T257-K267 VanDerWaalsContact OG1-NZ 3.15Å
268W98.4Very high96.3Very high23 Ų2344.7 Ų44.79%0.08728%0.276CS..EExtended strand (participates in β ladder)trans-143.4156.4169.559.5-99.2000111.4R226 C227 W228 E253 V255 A270R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.3Å; C227-W268 WeakPolarHBondContact O-CB 3.48Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.2Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.44Å; V255-W268 PolarHBondContact N-O 2.82Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269A98.4Very high96.2Very high0 Ų044.3 Ų44.30%028%0.279CS..EExtended strand (participates in β ladder)trans-12913117400000108.5R226 C227 L239 W241 T252 E253 L254R226-A269 WeakPolarHBondContact CA-O 3.38Å; C227-A269 PolarHBondContact N-O 2.97Å; C227-A269 PolarHBondContact O-N 3.29Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; W241-A269 PolarHBondContact NE1-O 3.27Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.3Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
270A98.1Very high96.1Very high3 Ų344.8 Ų44.83%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-123.6145179.900000111.9T224 L225 R226 T252 E253 W268T224-A270 HydrophobicContact CG2-CB 3.89Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.33Å; R226-A270 HydrophobicContact CB-CB 4.04Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.48Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.32Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.97Å; E253-A270 PolarHBondContact O-N 2.69Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271V97.9Very high96.2Very high3 Ų342.7 Ų42.72%0.01825%0.25CC..EExtended strand (participates in β ladder)trans-135.2141.7175.863.30000108.8T224 L225 W241 V273 Y281T224-V271 WeakPolarHBondContact CA-O 3.45Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.38Å; L225-V271 PolarHBondContact O-N 2.94Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.38Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å
272V97.4Very high96.4Very high76 Ų7639.6 Ų39.646%0.46122%0.215SC..EExtended strand (participates in β ladder)trans-85.4128.6171.3-178.90000108E222E222-V272 HydrophobicContact CB-CG1 4.05Å; E222-V272 HydrophobicContact CG-CG1 4.29Å
273V96.6Very high96.7Very high0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-126.7146-175.8-51.10000110.4E222 A223 L225 V271 E278 Y281E222-V273 WeakPolarHBondContact CA-O 3.4Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 2.84Å; A223-V273 WeakPolarHBondContact O-CG2 3.17Å; A223-V273 PolarHBondContact O-N 2.95Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE1 4.49Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.69Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.61Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å
274P96.4Very high96.9Very high44 Ų4433.2 Ų33.229%0.28619%0.185SC..EExtended strand (participates in β ladder)trans-62.6139.8170.3-20.532.4000111.4H221 G276 E277H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.39Å; P274-G276 PolarHBondContact O-N 3.12Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.39Å; P274-E277 PolarHBondContact O-N 2.8Å
275S92.9Very high97Very high57 Ų5732.4 Ų32.440%0.39918%0.179SC..THydrogen-bonded Turntrans-55.4127.3175.1-63.60000110.8D220 H221 E222D220-S275 PolarHBondContact O-OG 3.47Å; H221-S275 PolarHBondContact O-N 3.39Å; H221-S275 PolarHBondContact O-OG 2.83Å; E222-S275 PolarHBondContact N-OG 2.61Å
276G91.8Very high96.9Very high66 Ų6634.5 Ų34.568%0.6819%0.19SC*.THydrogen-bonded Turntrans88.8-6.6-178.200000115P274 E278P274-G276 PolarHBondContact O-N 3.12Å; G276-E278 WeakPolarHBondContact CA-OE2 3.39Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.24Å; G276-E278 PolarHBondContact N-OE2 2.95Å
277E95.6Very high96.9Very high53 Ų5332.9 Ų32.925%0.24818%0.182CC..  trans-99.13.8175.4-66.1-159-153.600113.7R243 P274 Q279 R280 Y281R243-E277 IonicContact CZ-OE2 3.64Å; R243-E277 IonicContact NE-OE2 3.93Å; R243-E277 IonicContact NH2-OE1 3.62Å; R243-E277 IonicContact NH2-OE2 2.72Å; R243-E277 PolarHBondContact NH2-OE2 3.27Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.39Å; P274-E277 PolarHBondContact O-N 2.8Å; E277-Q279 PolarHBondContact O-N 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3.2Å; E277-R280 IonicContact OE1-NH1 3.38Å; E277-R280 IonicContact OE2-CZ 3.66Å; E277-R280 IonicContact OE2-NE 3.09Å; E277-R280 IonicContact OE2-NH1 2.76Å; E277-R280 PolarHBondContact OE2-NH1 3.01Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å
278E95.1Very high96.6Very high19 Ų1935.7 Ų35.79%0.08920%0.195CC..G310 helixtrans-57.1-33.3-170.8-56.680.9-177.900112.5H215 L225 V273 G276 R280 Y281 W298H215-E278 IonicContact NE2-OE1 3.94Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; G276-E278 WeakPolarHBondContact CA-OE2 3.39Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.24Å; G276-E278 PolarHBondContact N-OE2 2.95Å; E278-R280 PolarHBondContact O-N 3.19Å; E278-Y281 PolarHBondContact O-N 2.91Å; E278-Y281 VanDerWaalsContact O-N 3.16Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.88Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å
279Q95.3Very high96.4Very high89 Ų8935.5 Ų35.542%0.41620%0.201SC..G310 helixtrans-71.8-15.6-179.1-63.3-57.1-45.100114.1E277 Y281 W298E277-Q279 PolarHBondContact O-N 3.31Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.17Å
280R96.8Very high96.3Very high102 Ų10236.8 Ų36.839%0.38521%0.208SC..G310 helixtrans-77.5-16.3173.1-62.3173.967.71776.4112.2R243 D244 E277 E278R243-R280 WeakPolarHBondContact CA-O 3.35Å; R243-R280 HydrophobicContact CG-CB 4.44Å; D244-R280 PolarHBondContact N-O 3.15Å; D244-R280 IonicContact OD1-NE 3.2Å; D244-R280 PolarHBondContact OD1-NE 3.23Å; D244-R280 IonicContact OD2-CZ 3.55Å; D244-R280 IonicContact OD2-NE 3.12Å; D244-R280 PolarHBondContact OD2-NE 3.47Å; D244-R280 IonicContact OD2-NH2 3.94Å; D244-R280 PolarHBondContact OD2-NH2 2.89Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3.2Å; E277-R280 IonicContact OE1-NH1 3.38Å; E277-R280 IonicContact OE2-CZ 3.66Å; E277-R280 IonicContact OE2-NE 3.09Å; E277-R280 IonicContact OE2-NH1 2.76Å; E277-R280 PolarHBondContact OE2-NH1 3.01Å; E278-R280 PolarHBondContact O-N 3.19Å
281Y97.7Very high96.1Very high7 Ų743.1 Ų43.13%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-96.6130.9-177.5-69.5-100.9000111.2Q242 R243 Q248 V271 V273 E277 E278 Q279Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.42Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 HydrophobicContact CG-CD2 4.5Å; R243-Y281 HydrophobicContact CG-CE1 4.14Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å; Q248-Y281 HydrophobicContact CG-CE1 4.36Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE1 4.49Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.69Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.61Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å; E278-Y281 PolarHBondContact O-N 2.91Å; E278-Y281 VanDerWaalsContact O-N 3.16Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282T98.1Very high95.9Very high12 Ų1250.1 Ų50.17%0.07428%0.279CS..EExtended strand (participates in β ladder)trans-125.2132.1176.146.60000110.8W241 Q242 H284 T295 L296 R297W241-T282 WeakPolarHBondContact CA-O 3.49Å; Q242-T282 PolarHBondContact N-O 3.38Å; Q242-T282 PolarHBondContact O-N 2.81Å; T282-H284 PolarHBondContact O-CD2 3.03Å; T282-H284 PolarHBondContact OG1-NE2 3.05Å; T282-T295 HydrophobicContact CG2-CG2 3.92Å; T282-L296 CarbonylContact C-O 3.48Å; T282-L296 WeakPolarHBondContact CA-O 3.46Å; T282-R297 HydrophobicContact CG2-CG 3.6Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283C98.3Very high95.8Very high0 Ų049.6 Ų49.60%028%0.277CS..EExtended strand (participates in β ladder)trans-91.6128.7169.7174.90000109.6C227 T240 W241 T295 L296C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.49Å; C227-C283 WeakPolarHBondContact SG-CB 3.09Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.02Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.33Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.53Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 2.85Å; C283-L296 PolarHBondContact O-N 3.49Å
284H98.1Very high95.9Very high36 Ų3652.1 Ų52.117%0.16729%0.29CS..EExtended strand (participates in β ladder)trans-108.6129.6176.7-64-107.7000109.7L239 T240 Q242 T282 L294 T295L239-H284 WeakPolarHBondContact CA-O 3.06Å; T240-H284 PolarHBondContact N-O 3.21Å; T240-H284 PolarHBondContact O-N 2.92Å; T240-H284 WeakPolarHBondContact OG1-CB 3.36Å; Q242-H284 PolarHBondContact OE1-CE1 2.81Å; Q242-H284 PolarHBondContact OE1-NE2 3.23Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.15Å; T282-H284 PolarHBondContact O-CD2 3.03Å; T282-H284 PolarHBondContact OG1-NE2 3.05Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; H284-T295 PolarHBondContact ND1-OG1 2.84Å
285V98.3Very high95.9Very high0 Ų054 Ų540%030%0.301CS..EExtended strand (participates in β ladder)trans-123.3122.6-178.2-174.30000109.4P209 T211 I237 T238 L239 L290 P293 L294 L296P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; I237-V285 HydrophobicContact CD1-CG1 4.06Å; I237-V285 HydrophobicContact CG1-CG1 4.39Å; T238-V285 WeakPolarHBondContact O-CA 3.19Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.41Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 3.32Å; V285-L294 PolarHBondContact O-N 3.4Å; V285-L296 HydrophobicContact CG2-CD1 3.74Å
286Q97.8Very high96.1Very high71 Ų7152.7 Ų52.733%0.33229%0.29SS..EExtended strand (participates in β ladder)trans-119.1130.7174.3-52.8-179.815.900109.2I237 T238 P293I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; T238-Q286 PolarHBondContact N-O 2.99Å; T238-Q286 PolarHBondContact O-N 2.91Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287H96.6Very high96.4Very high11 Ų1156.4 Ų56.45%0.05128%0.283CS..  trans-158.6146-178-175-98.9000109D207 P209 F232 Y233 P234 E236 I237 G289 L290D207-H287 PolarHBondContact O-CE1 2.92Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å; P209-H287 HydrophobicContact CG-CB 4.07Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.67Å; Y233-H287 PolarHBondContact O-CE1 2.8Å; P234-H287 PolarHBondContact O-NE2 2.86Å; E236-H287 PolarHBondContact O-CD2 3.46Å; I237-H287 HydrophobicContact CD1-CB 4.32Å; I237-H287 HydrophobicContact CG1-CB 4.09Å; H287-G289 PolarHBondContact ND1-N 3.31Å; H287-G289 PolarHBondContact O-N 2.88Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.5Å; H287-L290 PolarHBondContact O-N 3.3Å
288E93.7Very high96.4Very high77 Ų7756.1 Ų56.136%0.3628%0.279SS..THydrogen-bonded Turntrans-57.4-35.4-179.5-171.4-172.6165.600113.1W23 A206 P234 L290W23-E288 HydrophobicContact CB-CB 4.36Å; W23-E288 HydrophobicContact CB-CG 4.28Å; W23-E288 HydrophobicContact CE3-CB 4.15Å; W23-E288 VanDerWaalsContact O-CD 3.32Å; A206-E288 HydrophobicContact CB-CB 4.46Å; A206-E288 HydrophobicContact CB-CG 4.36Å; P234-E288 WeakPolarHBondContact CG-OE2 3.41Å; E288-L290 PolarHBondContact O-N 3.27Å
289G94.1Very high96.1Very high20 Ų2062.9 Ų62.921%0.20631%0.311CS..THydrogen-bonded Turntrans-70.2-10178.900000113.9P208 H287P208-G289 WeakPolarHBondContact CB-O 3.42Å; H287-G289 PolarHBondContact ND1-N 3.31Å; H287-G289 PolarHBondContact O-N 2.88Å
290L95.8Very high95.5Very high26 Ų2662.5 Ų62.514%0.13632%0.316CS..  trans-95.4126.8179.4-65.2170.8000110.9P208 P209 V285 H287 E288 K292 L294P208-L290 HydrophobicContact CB-CD2 3.88Å; P208-L290 HydrophobicContact CB-CG 4.43Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.5Å; H287-L290 PolarHBondContact O-N 3.3Å; E288-L290 PolarHBondContact O-N 3.27Å; L290-K292 WeakPolarHBondContact CB-O 3.42Å; L290-K292 PolarHBondContact O-N 3.15Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 3.97Å
291P93.6Very high93.8Very high136 Ų13662.7 Ų62.788%0.88333%0.333SS*.SBendtrans-66.9-21176.828.2-35.4000112.9
292K94.1Very high91.5Very high150 Ų15067.7 Ų67.765%0.65237%0.369SS*.SBendtrans-151150.7172.562.6-178.1-178.9178.30109.2L290L290-K292 WeakPolarHBondContact CB-O 3.42Å; L290-K292 PolarHBondContact O-N 3.15Å
293P96.1Very high89Confident66 Ų6675.1 Ų75.143%0.42940%0.403SS..  trans-51.9142.2172.2-27.736.1000112.1V285 Q286V285-P293 WeakPolarHBondContact O-CA 3.41Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294L97.2Very high86.3Confident52 Ų5279.5 Ų79.527%0.27243%0.434SS..EExtended strand (participates in β ladder)trans-93.3145.7174-62.2178.1000110.1T211 H284 V285 L290 L296T211-L294 HydrophobicContact CG2-CD1 4.38Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 3.32Å; V285-L294 PolarHBondContact O-N 3.4Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 3.97Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
295T97.9Very high83.9Confident85 Ų8583.9 Ų83.952%0.52146%0.463SS..EExtended strand (participates in β ladder)trans-125.6115.3171.6-56.10000107.7T282 C283 H284T282-T295 HydrophobicContact CG2-CG2 3.92Å; C283-T295 CarbonylContact O-C 3.53Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; H284-T295 PolarHBondContact ND1-OG1 2.84Å
296L97.3Very high81.7Confident29 Ų2988.6 Ų88.615%0.15249%0.488CS..EExtended strand (participates in β ladder)trans-110.1143.3-177.8-60.3101.8000110.3T211 V213 T282 C283 V285 L294T211-L296 HydrophobicContact CG2-CD1 4.46Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; T282-L296 CarbonylContact C-O 3.48Å; T282-L296 WeakPolarHBondContact CA-O 3.46Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 2.85Å; C283-L296 PolarHBondContact O-N 3.49Å; V285-L296 HydrophobicContact CG2-CD1 3.74Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
297R96.3Very high79.6Confident144 Ų14489.4 Ų89.454%0.54350%0.499SS..  trans-115.9162.5164.3-70.6-173.8177.3159.5-0.9108.9T282 E299T282-R297 HydrophobicContact CG2-CG 3.6Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 3.37Å
298W95.9Very high77.8Confident46 Ų4694.6 Ų94.617%0.17453%0.526CS..PPolyproline II helixtrans-68.9121.4166.8170.858000109.8V213 H215 L225 E278 Q279 P300V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact ND1-CZ2 3.91Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.44Å; L225-W298 HydrophobicContact CD2-CG 4Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.88Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å; Q279-W298 PolarHBondContact NE2-O 3.17Å; W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.87Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 4Å; W298-P300 HydrophobicContact CZ3-CG 4.05Å
299E89.4Confident76.3Confident162 Ų16296.9 Ų96.976%0.75754%0.544SS*.PPolyproline II helixtrans-99.3119.1168.6-69.7-178.517500108.1R297 S301R297-E299 PolarHBondContact O-N 3.37Å; E299-S301 PolarHBondContact O-N 3.15Å; E299-S301 VanDerWaalsContact O-N 3.15Å
300P81.9Confident75Confident80 Ų8098 Ų9852%0.51956%0.556SS.*PPolyproline II helixtrans-55.8123.8170.2-19.329.8000107.7W298 S302W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.87Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 4Å; W298-P300 HydrophobicContact CZ3-CG 4.05Å; P300-S302 PolarHBondContact O-N 2.76Å
301S63.1Low74Confident106 Ų106101.3 Ų101.374%0.74157%0.573SS**  trans-53.8113178.935.50000108.5E299 Q303E299-S301 PolarHBondContact O-N 3.15Å; E299-S301 VanDerWaalsContact O-N 3.15Å; S301-Q303 PolarHBondContact O-N 2.89Å
302S48.8Very low73.2Confident112 Ų11299.1 Ų99.178%0.78356%0.557SS**  trans-69.276.5161.562.60000106.2P300 S304P300-S302 PolarHBondContact O-N 2.76Å; S302-S304 PolarHBondContact O-N 2.74Å
303Q45.3Very low72.5Confident169 Ų16994.5 Ų94.579%0.7955%0.547SS*.  trans-6085.4147-86.1-174.5-14.500104.4S301 T305S301-Q303 PolarHBondContact O-N 2.89Å; Q303-T305 PolarHBondContact O-N 2.73Å; Q303-T305 PolarHBondContact O-OG1 3.35Å
304S41.8Very low71.8Confident92 Ų9293.1 Ų93.164%0.64354%0.544SS*.  trans-51.2100.6163.5178.80000103.9S302 I306S302-S304 PolarHBondContact O-N 2.74Å; S304-I306 PolarHBondContact O-N 2.75Å
305T47.8Very low71.3Confident127 Ų12796 Ų9678%0.77956%0.559SS**  trans-70.274165.4-30.60000103.3Q303 P307Q303-T305 PolarHBondContact O-N 2.73Å; Q303-T305 PolarHBondContact O-OG1 3.35Å; T305-P307 WeakPolarHBondContact O-CD 3.44Å
306I50.9Low70.7Confident100 Ų10094.6 Ų94.651%0.51356%0.557SS.*  trans-47.4121.5155.9-61.2177.9000102.4S304 I308 I311S304-I306 PolarHBondContact O-N 2.75Å; I306-I308 WeakPolarHBondContact O-CG1 3.4Å; I306-I308 PolarHBondContact O-N 3.09Å; I306-I311 HydrophobicContact CG2-CD1 4.32Å
307P53.8Low70.1Confident87 Ų8797.8 Ų97.857%0.56558%0.577SS**  trans-73.976.1-172.230.3-33.3000107T305 V309 G310 I311T305-P307 WeakPolarHBondContact O-CD 3.44Å; P307-V309 PolarHBondContact O-N 2.65Å; P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 2.84Å; P307-I311 PolarHBondContact O-N 3.21Å; P307-I311 VanDerWaalsContact O-N 3.09Å
308I59.8Low69.7Low121 Ų12196.1 Ų96.162%0.62158%0.578SS**Hα-helixtrans-56.6-35.1176.7-66.6167.8000107.9I306 G310 I311 V312I306-I308 WeakPolarHBondContact O-CG1 3.4Å; I306-I308 PolarHBondContact O-N 3.09Å; I308-G310 PolarHBondContact O-N 2.93Å; I308-I311 PolarHBondContact O-N 2.97Å; I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.21Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 3.45Å
309V62.3Low69.2Low124 Ų12496.3 Ų96.375%0.75259%0.59SS**Hα-helixtrans-59.7-41.6171.6-179.40000112.2P307 A313P307-V309 PolarHBondContact O-N 2.65Å; V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.23Å; V309-A313 PolarHBondContact O-N 2.92Å
310G66.8Low69.1Low43 Ų4393.6 Ų93.644%0.44358%0.584SS.*Hα-helixtrans-68.2-38.8178.700000113.1P307 I308 G314P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 2.84Å; I308-G310 PolarHBondContact O-N 2.93Å; G310-G314 PolarHBondContact O-N 3.37Å
311I74.4Confident69.3Low97 Ų9794.3 Ų94.350%0.49759%0.587SS.*Hα-helixtrans-69.6-44176.8-61.5174.1000110.6I306 P307 I308 G314 L315I306-I311 HydrophobicContact CG2-CD1 4.32Å; P307-I311 PolarHBondContact O-N 3.21Å; P307-I311 VanDerWaalsContact O-N 3.09Å; I308-I311 PolarHBondContact O-N 2.97Å; I311-G314 PolarHBondContact O-N 3.42Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.35Å; I311-L315 WeakPolarHBondContact O-CG 3.48Å; I311-L315 PolarHBondContact O-N 2.93Å
312V77.1Confident70.4Confident90 Ų9093 Ų9355%0.54557%0.574SS.*Hα-helixtrans-65.1-43.5178.1172.60000111.2I308 L315 A316I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.21Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 3.45Å; V312-L315 PolarHBondContact O-N 3.35Å; V312-A316 WeakPolarHBondContact O-CB 3.35Å; V312-A316 PolarHBondContact O-N 3.08Å
313A78.4Confident72.1Confident53 Ų5393 Ų9344%0.43856%0.564SS.*Hα-helixtrans-62.3-43.417500000111.7V309 A316 V317V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.23Å; V309-A313 PolarHBondContact O-N 2.92Å; A313-A316 PolarHBondContact O-N 3.38Å; A313-V317 WeakPolarHBondContact O-CG2 3.41Å; A313-V317 PolarHBondContact O-N 2.98Å; A313-V317 VanDerWaalsContact O-N 3.08Å
314G83Confident73.9Confident37 Ų3786.9 Ų86.938%0.38155%0.546SS..Hα-helixtrans-60.8-45.3176.500000113G310 I311 V317 L318G310-G314 PolarHBondContact O-N 3.37Å; I311-G314 PolarHBondContact O-N 3.42Å; G314-V317 PolarHBondContact O-N 3.34Å; G314-L318 PolarHBondContact O-N 3.07Å
315L86.4Confident75.8Confident112 Ų11285.1 Ų85.159%0.58654%0.537SS*.Hα-helixtrans-66.3-38.5177.9-73.1171.9000112.5I311 V312 L318 A319I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.35Å; I311-L315 WeakPolarHBondContact O-CG 3.48Å; I311-L315 PolarHBondContact O-N 2.93Å; V312-L315 PolarHBondContact O-N 3.35Å; L315-L318 PolarHBondContact O-N 3.43Å; L315-A319 PolarHBondContact O-N 2.98Å
316A84.4Confident77.5Confident56 Ų5682.9 Ų82.946%0.46352%0.523SS..Hα-helixtrans-63.7-43.6176.600000111.8V312 A313 A319 V320V312-A316 WeakPolarHBondContact O-CB 3.35Å; V312-A316 PolarHBondContact O-N 3.08Å; A313-A316 PolarHBondContact O-N 3.38Å; A316-A319 PolarHBondContact O-N 3.44Å; A316-V320 WeakPolarHBondContact O-CG2 3.4Å; A316-V320 PolarHBondContact O-N 3.1Å; A316-V320 VanDerWaalsContact O-N 3.1Å
317V85.7Confident78.9Confident96 Ų9681.8 Ų81.858%0.58252%0.521SS*.Hα-helixtrans-62.5-44.2176172.80000110.9A313 G314 A319 V320 V321A313-V317 WeakPolarHBondContact O-CG2 3.41Å; A313-V317 PolarHBondContact O-N 2.98Å; A313-V317 VanDerWaalsContact O-N 3.08Å; G314-V317 PolarHBondContact O-N 3.34Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.38Å; V317-V320 PolarHBondContact O-N 3.03Å; V317-V321 WeakPolarHBondContact O-CG2 3.37Å; V317-V321 PolarHBondContact O-N 3.27Å
318L87.3Confident80Confident109 Ų10980 Ų8057%0.57151%0.514SS*.Hα-helixtrans-59.6-43.3177-115.6151.8000112.1G314 L315 V320 V321 V322G314-L318 PolarHBondContact O-N 3.07Å; L315-L318 PolarHBondContact O-N 3.43Å; L318-V320 PolarHBondContact O-N 2.92Å; L318-V321 PolarHBondContact O-N 3.49Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.44Å; L318-V322 PolarHBondContact O-N 3.36Å
319A85.7Confident80.7Confident50 Ų5078.2 Ų78.241%0.41351%0.509SS..Hα-helixtrans-62.1-43.2177.200000112.2L315 A316 V317 V321 V322 I323L315-A319 PolarHBondContact O-N 2.98Å; A316-A319 PolarHBondContact O-N 3.44Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.38Å; A319-V321 PolarHBondContact O-N 3.34Å; A319-V322 PolarHBondContact O-N 3Å; A319-I323 WeakPolarHBondContact O-CB 3.24Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.35Å; A319-I323 PolarHBondContact O-N 2.9Å
320V86.2Confident81.3Confident104 Ų10476.3 Ų76.363%0.6350%0.497SS*.Hα-helixtrans-63-42.6177.3173.50000111.3A316 V317 L318 I323 G324A316-V320 WeakPolarHBondContact O-CG2 3.4Å; A316-V320 PolarHBondContact O-N 3.1Å; A316-V320 VanDerWaalsContact O-N 3.1Å; V317-V320 PolarHBondContact O-N 3.03Å; L318-V320 PolarHBondContact O-N 2.92Å; V320-I323 PolarHBondContact O-N 3.49Å; V320-G324 PolarHBondContact O-N 3.35Å
321V87.3Confident81.5Confident96 Ų9680.4 Ų80.458%0.58251%0.506SS*.Hα-helixtrans-63-44.3177.6172.40000111.2V317 L318 A319 G324 A325V317-V321 WeakPolarHBondContact O-CG2 3.37Å; V317-V321 PolarHBondContact O-N 3.27Å; L318-V321 PolarHBondContact O-N 3.49Å; A319-V321 PolarHBondContact O-N 3.34Å; V321-G324 PolarHBondContact O-N 3.45Å; V321-A325 WeakPolarHBondContact O-CB 3.5Å; V321-A325 PolarHBondContact O-N 2.95Å
322V86Confident81.3Confident79 Ų7980 Ų8048%0.47951%0.511SS..Hα-helixtrans-63.9-46178.8172.30000110.9L318 A319 G324 A325 V326L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.44Å; L318-V322 PolarHBondContact O-N 3.36Å; A319-V322 PolarHBondContact O-N 3Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.93Å; V322-A325 PolarHBondContact O-N 2.93Å; V322-V326 HydrophobicContact CG1-CG2 4.48Å; V322-V326 VanDerWaalsContact O-CG2 3.32Å; V322-V326 WeakPolarHBondContact O-CG2 3.32Å; V322-V326 PolarHBondContact O-N 2.87Å
323I84.6Confident80.7Confident111 Ų11185.3 Ų85.357%0.56952%0.521SS*.Hα-helixtrans-61-44.8177-67.2165.6000110.3A319 V320 A325 V326 V327A319-I323 WeakPolarHBondContact O-CB 3.24Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.35Å; A319-I323 PolarHBondContact O-N 2.9Å; V320-I323 PolarHBondContact O-N 3.49Å; I323-A325 PolarHBondContact O-N 3.3Å; I323-V326 PolarHBondContact O-N 3.27Å; I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 WeakPolarHBondContact O-CG2 3.29Å; I323-V327 PolarHBondContact O-N 3.44Å
324G82.5Confident79.8Confident41 Ų4193 Ų9342%0.42354%0.539SS..Hα-helixtrans-58.7-44.3176.200000112.9V320 V321 V322 V327 A328V320-G324 PolarHBondContact O-N 3.35Å; V321-G324 PolarHBondContact O-N 3.45Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.93Å; G324-V327 PolarHBondContact O-N 3.41Å; G324-A328 WeakPolarHBondContact O-CB 3.34Å; G324-A328 PolarHBondContact O-N 3.45Å
325A82.1Confident78.4Confident55 Ų55100.5 Ų100.546%0.45556%0.561SS.*Hα-helixtrans-65.4-39.5177.600000112.8V321 V322 I323 T329V321-A325 WeakPolarHBondContact O-CB 3.5Å; V321-A325 PolarHBondContact O-N 2.95Å; V322-A325 PolarHBondContact O-N 2.93Å; I323-A325 PolarHBondContact O-N 3.3Å; A325-T329 WeakPolarHBondContact O-CB 3.45Å; A325-T329 WeakPolarHBondContact O-CG2 3.44Å; A325-T329 PolarHBondContact O-N 2.92Å; A325-T329 PolarHBondContact O-OG1 2.96Å
326V82.9Confident76.9Confident79 Ų7999.9 Ų99.948%0.47957%0.566SS.*Hα-helixtrans-66.1-44.1176173.20000110.8V322 I323 T329 V330V322-V326 HydrophobicContact CG1-CG2 4.48Å; V322-V326 VanDerWaalsContact O-CG2 3.32Å; V322-V326 WeakPolarHBondContact O-CG2 3.32Å; V322-V326 PolarHBondContact O-N 2.87Å; I323-V326 PolarHBondContact O-N 3.27Å; V326-T329 WeakPolarHBondContact CA-OG1 3.32Å; V326-T329 PolarHBondContact O-N 2.79Å; V326-T329 PolarHBondContact O-OG1 2.94Å; V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.36Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.49Å; V326-V330 PolarHBondContact O-N 2.93Å
327V80.7Confident75.3Confident77 Ų77104.7 Ų104.747%0.46760%0.597SS.*Hα-helixtrans-63.7-44.5177.4172.90000110.8I323 G324 T329 V330 M331I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 WeakPolarHBondContact O-CG2 3.29Å; I323-V327 PolarHBondContact O-N 3.44Å; G324-V327 PolarHBondContact O-N 3.41Å; V327-T329 PolarHBondContact O-N 3.36Å; V327-V330 PolarHBondContact O-N 3.46Å; V327-M331 HydrophobicContact CG1-CG 4.34Å; V327-M331 HydrophobicContact CG1-SD 4.01Å; V327-M331 WeakPolarHBondContact O-CB 3.4Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.44Å; V327-M331 PolarHBondContact O-N 2.97Å
328A76.5Confident74.8Confident51 Ų51105.2 Ų105.242%0.42160%0.597SS.*Hα-helixtrans-61.8-42.4177.800000112.5G324 M331 C332G324-A328 WeakPolarHBondContact O-CB 3.34Å; G324-A328 PolarHBondContact O-N 3.45Å; A328-M331 PolarHBondContact O-N 3.34Å; A328-C332 WeakPolarHBondContact O-CB 3.48Å; A328-C332 PolarHBondContact O-N 3.4Å; A328-C332 PolarHBondContact O-SG 3.19Å
329T74.5Confident74.1Confident83 Ų83104.9 Ų104.951%0.50960%0.599SS.*Hα-helixtrans-68.2-40177.344.50000112.4A325 V326 V327 C332 R333A325-T329 WeakPolarHBondContact O-CB 3.45Å; A325-T329 WeakPolarHBondContact O-CG2 3.44Å; A325-T329 PolarHBondContact O-N 2.92Å; A325-T329 PolarHBondContact O-OG1 2.96Å; V326-T329 WeakPolarHBondContact CA-OG1 3.32Å; V326-T329 PolarHBondContact O-N 2.79Å; V326-T329 PolarHBondContact O-OG1 2.94Å; V327-T329 PolarHBondContact O-N 3.36Å; T329-C332 PolarHBondContact O-N 3.33Å; T329-R333 WeakPolarHBondContact O-CB 3.26Å; T329-R333 PolarHBondContact O-N 3.33Å
330V73.8Confident73.5Confident83 Ų83108 Ų10850%0.50361%0.609SS.*Hα-helixtrans-64.1-43.4174.1170.80000111.1V326 V327 R333 R334V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.36Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.49Å; V326-V330 PolarHBondContact O-N 2.93Å; V327-V330 PolarHBondContact O-N 3.46Å; V330-R333 PolarHBondContact O-N 3.2Å; V330-R334 WeakPolarHBondContact O-CB 3.5Å; V330-R334 PolarHBondContact O-N 3.21Å
331M71.6Confident72.8Confident129 Ų129108.2 Ų108.264%0.63561%0.608SS**Hα-helixtrans-65.2-39.8177-74.4-174.769.400112.4V327 A328 R334 K335V327-M331 HydrophobicContact CG1-CG 4.34Å; V327-M331 HydrophobicContact CG1-SD 4.01Å; V327-M331 WeakPolarHBondContact O-CB 3.4Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.44Å; V327-M331 PolarHBondContact O-N 2.97Å; A328-M331 PolarHBondContact O-N 3.34Å; M331-R334 PolarHBondContact O-N 3.45Å; M331-K335 PolarHBondContact O-N 2.98Å
332C69.6Low71.8Confident89 Ų89109 Ų10960%0.60161%0.609SS**Hα-helixtrans-63.3-43.1174.4-70.50000111.4A328 T329 R334 K335 S336A328-C332 WeakPolarHBondContact O-CB 3.48Å; A328-C332 PolarHBondContact O-N 3.4Å; A328-C332 PolarHBondContact O-SG 3.19Å; T329-C332 PolarHBondContact O-N 3.33Å; C332-R334 VanDerWaalsContact C-N 3.32Å; C332-R334 PolarHBondContact O-N 3.44Å; C332-K335 PolarHBondContact O-N 3.25Å; C332-S336 PolarHBondContact O-N 3.15Å; C332-S336 PolarHBondContact O-OG 2.95Å
333R64.6Low70.9Confident202 Ų202111 Ų11176%0.76262%0.618SS**Hα-helixtrans-64.7-33.2176.1-81.8-174.4161.2-178.4-4.2113.4T329 V330 K335 S336T329-R333 WeakPolarHBondContact O-CB 3.26Å; T329-R333 PolarHBondContact O-N 3.33Å; V330-R333 PolarHBondContact O-N 3.2Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.43Å; R333-S336 PolarHBondContact O-OG 3.5Å
334R59.7Low69.9Low214 Ų214111 Ų11181%0.80862%0.622SS**Hα-helixtrans-73.6-18.4176.3-121.5-178.5171.6-178.5-3113.9V330 M331 C332V330-R334 WeakPolarHBondContact O-CB 3.5Å; V330-R334 PolarHBondContact O-N 3.21Å; M331-R334 PolarHBondContact O-N 3.45Å; C332-R334 VanDerWaalsContact C-N 3.32Å; C332-R334 PolarHBondContact O-N 3.44Å
335K55.4Low69Low194 Ų194116.4 Ų116.484%0.84364%0.637SS**Hα-helixtrans-95.2-12179.5-135.7176.3-175.7-178.20112.9M331 C332 R333M331-K335 PolarHBondContact O-N 2.98Å; C332-K335 PolarHBondContact O-N 3.25Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.43Å
336S54.8Low67.9Low99 Ų99121.5 Ų121.569%0.69265%0.652SS**  trans-105.17178.9600000113.9C332 R333C332-S336 PolarHBondContact O-N 3.15Å; C332-S336 PolarHBondContact O-OG 2.95Å; R333-S336 PolarHBondContact O-OG 3.5Å
337S50.4Low66.5Low158 Ų158125.4 Ų125.4100%1.10567%0.668SS**  trans-118.30167-178.10000108.6

Retrieved 337 of 337 residues in 210.3 ms (Link to these results)

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