A0A096N8U6_PAPAN Loading...

Zinc-alpha-2-glycoprotein

AlphaFold DB , UniProt , Accession A0A096N8U6, Species PAPAN (Papio anubis, Olive baboon), Gene AZGP1, Length 298 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.1Very low40.4Very low248 Ų248155.5 Ų155.5100%1.22283%0.829SS**  0138.50-99.9172.2-170.800108.8
2V35Very low40.8Very low146 Ų146154.3 Ų154.389%0.88582%0.822SS**  trans-67.8148.8-169.9174.10000112.2
3R40.3Very low41.2Very low230 Ų230153.5 Ų153.587%0.86882%0.817SS**  trans-47.9148.8176.2-71.1173.5164.4-179.9-5.3114.9
4M35Very low41.3Very low190 Ų190156.1 Ų156.194%0.93682%0.818SS**  trans-145.8114.4137.3-93.4-177.2-158.400109
5V42.6Very low41.7Very low124 Ų124156.1 Ų156.175%0.75282%0.818SS**  trans-116.7123.6160.2178.70000104.7V7V5-V7 PolarHBondContact O-N 3.25Å
6P42.4Very low42.2Very low112 Ų112149.8 Ų149.873%0.72780%0.803SS**  trans-75.6115-178.129.8-29000108.4L8P6-L8 PolarHBondContact O-N 3.36Å
7V41.5Very low42.4Very low118 Ų118148.3 Ų148.372%0.71580%0.803SS**  trans-83.7104.2167178.20000106.6V5 L9V5-V7 PolarHBondContact O-N 3.25Å; V7-L9 HydrophobicContact CG1-CD1 3.98Å; V7-L9 PolarHBondContact O-N 3.15Å; V7-L9 VanDerWaalsContact O-N 3.16Å
8L43.4Very low42.7Very low155 Ų155145.3 Ų145.381%0.81280%0.802SS**  trans-69.3103.2164.3-98.4119000107.9P6 S10P6-L8 PolarHBondContact O-N 3.36Å; L8-S10 PolarHBondContact O-N 3.25Å
9L40Very low42.5Very low140 Ų140144.3 Ų144.373%0.73380%0.799SS**  trans-81.9100167.6-133.584.8000107.7V7 L11V7-L9 HydrophobicContact CG1-CD1 3.98Å; V7-L9 PolarHBondContact O-N 3.15Å; V7-L9 VanDerWaalsContact O-N 3.16Å; L9-L11 PolarHBondContact O-N 3.42Å; L9-L11 VanDerWaalsContact O-N 3.15Å
10S41.8Very low42.4Very low102 Ų102142.7 Ų142.771%0.71380%0.796SS**  trans-69.3104.6170.4-60.50000109.5L8 L12L8-S10 PolarHBondContact O-N 3.25Å; S10-L12 PolarHBondContact O-N 3.15Å
11L40.1Very low42.1Very low145 Ų145144.5 Ų144.576%0.75980%0.798SS**  trans-73.6103.8166.7-116.489.2000108.6L9 L13L9-L11 PolarHBondContact O-N 3.42Å; L9-L11 VanDerWaalsContact O-N 3.15Å; L11-L13 PolarHBondContact O-N 3.16Å
12L45.4Very low41.9Very low142 Ų142141.5 Ų141.574%0.74378%0.781SS**  trans-74.7100.1164.8-83.1150.7000108.3S10 F14S10-L12 PolarHBondContact O-N 3.15Å; L12-F14 HydrophobicContact CB-CE2 4.44Å; L12-F14 PolarHBondContact O-N 3.22Å; L12-F14 VanDerWaalsContact O-N 3.15Å
13L46.3Very low42.3Very low144 Ų144140 Ų14075%0.75477%0.773SS**  trans-70.399.6167.2-80.7157.4000108.6L11 L15L11-L13 PolarHBondContact O-N 3.16Å; L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 2.98Å
14F42.2Very low42.9Very low190 Ų190136.7 Ų136.783%0.83377%0.767SS**  trans-71.586.3164-73.1-79.9000108.9L12 G16L12-F14 HydrophobicContact CB-CE2 4.44Å; L12-F14 PolarHBondContact O-N 3.22Å; L12-F14 VanDerWaalsContact O-N 3.15Å; F14-G16 VanDerWaalsContact C-N 3.3Å; F14-G16 PolarHBondContact O-N 3.12Å; F14-G16 VanDerWaalsContact O-N 3.12Å
15L47.1Very low44.6Very low155 Ų155129.7 Ų129.781%0.81273%0.734SS**  trans-76.188.9161.1-78.9160.1000107.4L13L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 2.98Å
16G50.5Low46.5Very low56 Ų56125.6 Ų125.658%0.57772%0.716SS**  trans-61.8144.6163.200000109.5F14 A18F14-G16 VanDerWaalsContact C-N 3.3Å; F14-G16 PolarHBondContact O-N 3.12Å; F14-G16 VanDerWaalsContact O-N 3.12Å; G16-A18 PolarHBondContact O-N 2.97Å
17P44.4Very low48.9Very low124 Ų124127.4 Ų127.481%0.80571%0.708SS**  trans-59.9126.5177.424.4-31.2000109V19P17-V19 PolarHBondContact O-N 3.22Å
18A47.8Very low51.6Low95 Ų95122.3 Ų122.379%0.78568%0.676SS**  trans-59.2107.9170.400000107.8G16 P20G16-A18 PolarHBondContact O-N 2.97Å; A18-P20 WeakPolarHBondContact O-CD 3.34Å
19V39.5Very low54.2Low125 Ų125115.8 Ų115.876%0.75864%0.644SS**  trans-61.9121164.5-179.70000105.2P17 Q21P17-V19 PolarHBondContact O-N 3.22Å; V19-Q21 PolarHBondContact O-N 2.99Å
20P39.6Very low57Low112 Ų112109.2 Ų109.273%0.72761%0.609SS**  trans-56.5112.4171.3-19.130.9000106.7A18 E22A18-P20 WeakPolarHBondContact O-CD 3.34Å; P20-E22 VanDerWaalsContact C-N 3.31Å; P20-E22 PolarHBondContact O-N 3.39Å
21Q36.8Very low59.7Low182 Ų182105 Ų10585%0.8558%0.58SS**  trans-64.1103.6168.9-154.1170.8-1600103.9V19 T23V19-Q21 PolarHBondContact O-N 2.99Å; Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.43Å
22E38Very low62.5Low185 Ų18598.8 Ų98.886%0.86455%0.546SS*.  trans-52.5104.7167.1-83.1-174.8159.900105.2P20 Q24P20-E22 VanDerWaalsContact C-N 3.31Å; P20-E22 PolarHBondContact O-N 3.39Å; E22-Q24 PolarHBondContact O-N 2.87Å
23T44.2Very low65Low115 Ų11594.2 Ų94.271%0.70652%0.522SS*.  trans-55.7110.5165.740.50000104.7Q21 D25Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.43Å; T23-D25 VanDerWaalsContact C-N 3.28Å; T23-D25 PolarHBondContact O-N 3.06Å
24Q51.9Low67.5Low160 Ų16087.6 Ų87.675%0.74849%0.487SS*.  trans-54.6101.7168.3-83.5-171.2-70.700106.6E22 G26 N127E22-Q24 PolarHBondContact O-N 2.87Å; Q24-G26 PolarHBondContact O-N 2.89Å; Q24-N127 VanDerWaalsContact CA-OD1 3.28Å; Q24-N127 WeakPolarHBondContact CA-OD1 3.38Å; Q24-N127 WeakPolarHBondContact CB-OD1 3.42Å; Q24-N127 VanDerWaalsContact CG-OD1 3.29Å; Q24-N127 WeakPolarHBondContact CG-OD1 3.07Å
25D70.9Confident70.2Confident43 Ų4380.2 Ų80.223%0.2346%0.457CS..PPolyproline II helixtrans-59.1127.5172.8-88.1-38.7000106.6T23 N127 K198T23-D25 VanDerWaalsContact C-N 3.28Å; T23-D25 PolarHBondContact O-N 3.06Å; D25-N127 WeakPolarHBondContact O-CA 3.34Å; D25-N127 PolarHBondContact O-N 3.41Å; D25-N127 PolarHBondContact O-OD1 2.99Å; D25-K198 IonicContact OD1-NZ 2.97Å; D25-K198 PolarHBondContact OD1-NZ 2.94Å
26G82.8Confident72.6Confident37 Ų3772.8 Ų72.838%0.38142%0.419SS..PPolyproline II helixtrans-58.7173.7-179.400000113Q24 Y28Q24-G26 PolarHBondContact O-N 2.89Å; G26-Y28 WeakPolarHBondContact O-CD2 2.89Å; G26-Y28 VanDerWaalsContact O-CE2 3.28Å; G26-Y28 WeakPolarHBondContact O-CE2 3.01Å
27R93.5Very high74.9Confident151 Ų15171.8 Ų71.857%0.5740%0.4SS*.PPolyproline II helixtrans-74.6128.4172.6-175.6176.3178.1-169.7-2.1109.4E124 I125R27-E124 IonicContact CZ-OE2 2.85Å; R27-E124 IonicContact NE-OE2 3.4Å; R27-E124 PolarHBondContact NE-OE2 2.79Å; R27-E124 VanDerWaalsContact NH2-CD 3.3Å; R27-E124 IonicContact NH2-OE1 3.78Å; R27-E124 PolarHBondContact NH2-OE1 3.28Å; R27-E124 IonicContact NH2-OE2 2.74Å; R27-E124 PolarHBondContact NH2-OE2 2.93Å; R27-I125 WeakPolarHBondContact CA-O 3.24Å
28Y96.9Very high77.4Confident11 Ų1167.2 Ų67.24%0.04337%0.371CS..EExtended strand (participates in β ladder)trans-125.9145.9173.6-57.9-81.8000110.8G26 N54 E124 I125 L194 L201 D202G26-Y28 WeakPolarHBondContact O-CD2 2.89Å; G26-Y28 VanDerWaalsContact O-CE2 3.28Å; G26-Y28 WeakPolarHBondContact O-CE2 3.01Å; Y28-N54 VanDerWaalsContact CA-OD1 3.25Å; Y28-N54 WeakPolarHBondContact CA-OD1 3.49Å; Y28-E124 CarbonylContact O-C 3.43Å; Y28-E124 VanDerWaalsContact O-CA 3.24Å; Y28-E124 WeakPolarHBondContact O-CA 3.35Å; Y28-I125 HydrophobicContact CD2-CD1 4.49Å; Y28-I125 HydrophobicContact CD2-CG1 4.29Å; Y28-I125 PolarHBondContact N-O 3.33Å; Y28-I125 PolarHBondContact O-N 3.39Å; Y28-L194 HydrophobicContact CD1-CD1 4.38Å; Y28-L194 HydrophobicContact CD1-CD2 3.37Å; Y28-L194 HydrophobicContact CD2-CD1 3.67Å; Y28-L194 HydrophobicContact CD2-CD2 4.16Å; Y28-L194 HydrophobicContact CE1-CD2 3.75Å; Y28-L194 HydrophobicContact CE2-CD1 4.21Å; Y28-L194 HydrophobicContact CE2-CD2 4.48Å; Y28-L194 HydrophobicContact CG-CD1 3.76Å; Y28-L194 HydrophobicContact CG-CD2 3.59Å; Y28-L194 HydrophobicContact CG-CG 4.32Å; Y28-L201 HydrophobicContact CD1-CD1 4.21Å; Y28-L201 HydrophobicContact CE1-CB 4.23Å; Y28-L201 HydrophobicContact CE1-CD1 4.47Å; Y28-D202 VanDerWaalsContact CE1-OD1 3.26Å; Y28-D202 WeakPolarHBondContact CE1-OD1 3.32Å; Y28-D202 PolarHBondContact OH-OD1 3.04Å; Y28-D202 PolarHBondContact OH-OD2 3.5Å; Y28-D202 VanDerWaalsContact OH-OD2 3.06Å
29S98.1Very high79.6Confident18 Ų1868 Ų6813%0.12636%0.356CS..EExtended strand (participates in β ladder)trans-129.4146.7175.668.40000111.9L53 N54 C123S29-L53 WeakPolarHBondContact O-CA 3.28Å; S29-N54 PolarHBondContact N-OD1 2.76Å; S29-N54 PolarHBondContact O-N 2.97Å; S29-N54 WeakPolarHBondContact OG-CA 3.4Å; S29-C123 WeakPolarHBondContact CA-O 3.43Å
30L98.7Very high82Confident1 Ų168 Ų681%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-118118.2166.8175.158.5000107.4Y32 L53 F58 G122 C123 T189 L190 Y193L30-Y32 HydrophobicContact CD1-CE2 3.81Å; L30-Y32 HydrophobicContact CD2-CE2 3.81Å; L30-Y32 HydrophobicContact CG-CD2 4.38Å; L30-Y32 HydrophobicContact CG-CE2 3.65Å; L30-L53 HydrophobicContact CB-CD2 4.4Å; L30-L53 HydrophobicContact CD1-CD2 4.07Å; L30-F58 HydrophobicContact CD1-CE1 3.63Å; L30-F58 HydrophobicContact CD1-CZ 3.93Å; L30-G122 CarbonylContact O-C 3.56Å; L30-G122 WeakPolarHBondContact O-CA 3.41Å; L30-C123 PolarHBondContact N-O 3.03Å; L30-C123 PolarHBondContact O-N 2.9Å; L30-T189 HydrophobicContact CD2-CG2 3.88Å; L30-L190 HydrophobicContact CB-CB 4.05Å; L30-L190 HydrophobicContact CB-CD1 4.07Å; L30-L190 HydrophobicContact CB-CD2 4.28Å; L30-L190 HydrophobicContact CB-CG 4.35Å; L30-L190 HydrophobicContact CD2-CB 4.33Å; L30-Y193 HydrophobicContact CD1-CD2 4.29Å; L30-Y193 HydrophobicContact CD1-CE2 4.33Å; L30-Y193 HydrophobicContact CD2-CD2 4.47Å; L30-Y193 HydrophobicContact CD2-CE2 4.45Å
31T98.6Very high84.3Confident15 Ų1565.9 Ų65.99%0.09234%0.336CS..EExtended strand (participates in β ladder)trans-127134.4-178.7-58.40000110.1I33 G51 S52 R120 F134T31-I33 HydrophobicContact CG2-CG1 4.39Å; T31-G51 CarbonylContact O-C 3.55Å; T31-G51 WeakPolarHBondContact O-CA 3.39Å; T31-S52 PolarHBondContact N-O 3.48Å; T31-S52 PolarHBondContact O-N 3.16Å; T31-R120 HydrophobicContact CG2-CG 4.31Å; T31-F134 HydrophobicContact CG2-CE2 4.15Å; T31-F134 HydrophobicContact CG2-CZ 3.84Å
32Y98.7Very high86.9Confident13 Ų1365.4 Ų65.45%0.05133%0.334CS..EExtended strand (participates in β ladder)trans-114143.5169.2-63.4-85.5000110.2L30 L50 F58 F59 R120 F121L30-Y32 HydrophobicContact CD1-CE2 3.81Å; L30-Y32 HydrophobicContact CD2-CE2 3.81Å; L30-Y32 HydrophobicContact CG-CD2 4.38Å; L30-Y32 HydrophobicContact CG-CE2 3.65Å; Y32-L50 WeakPolarHBondContact CA-O 3.44Å; Y32-F58 HydrophobicContact CE1-CZ 4.14Å; Y32-F59 HydrophobicContact CD1-CE1 4.37Å; Y32-F59 HydrophobicContact CE1-CD1 4.35Å; Y32-F59 HydrophobicContact CE1-CE1 4.39Å; Y32-R120 WeakPolarHBondContact O-CA 3.38Å; Y32-F121 VanDerWaalsContact CB-CZ 3.44Å; Y32-F121 AromaticContact CD2-CD2 3.96Å; Y32-F121 HydrophobicContact CD2-CD2 3.96Å; Y32-F121 AromaticContact CD2-CE2 3.49Å; Y32-F121 HydrophobicContact CD2-CE2 3.49Å; Y32-F121 VanDerWaalsContact CD2-CE2 3.49Å; Y32-F121 HydrophobicContact CD2-CZ 4.23Å; Y32-F121 HydrophobicContact CE2-CE2 4.41Å; Y32-F121 HydrophobicContact CG-CD2 4.38Å; Y32-F121 AromaticContact CG-CE2 3.69Å; Y32-F121 HydrophobicContact CG-CE2 3.69Å; Y32-F121 AromaticContact CG-CZ 3.95Å; Y32-F121 HydrophobicContact CG-CZ 3.95Å; Y32-F121 PolarHBondContact N-O 2.78Å; Y32-F121 PolarHBondContact O-N 2.94Å; Y32-F121 VanDerWaalsContact O-N 3.1Å
33I98.7Very high89.4Confident46 Ų4662.8 Ų62.824%0.23633%0.326CS..EExtended strand (participates in β ladder)trans-129.4119.5176.3-69174000107.9T31 A49 L50 H118 G119 R120T31-I33 HydrophobicContact CG2-CG1 4.39Å; I33-A49 WeakPolarHBondContact O-CA 3.46Å; I33-L50 PolarHBondContact N-O 2.92Å; I33-L50 PolarHBondContact O-N 3.36Å; I33-H118 WeakPolarHBondContact CG2-CE1 3.13Å; I33-G119 CarbonylContact C-O 3.52Å; I33-G119 WeakPolarHBondContact CA-O 3.47Å; I33-R120 HydrophobicContact CG1-CG 4.36Å
34Y98.8Very high91.8Very high5 Ų561 Ų612%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-111137.7173.8-68.5-4.9000109.5F47 Q48 A49 Q90 R93 F97 H118 G119 F121Y34-F47 HydrophobicContact CD1-CZ 4.12Å; Y34-F47 HydrophobicContact CD2-CE2 4.16Å; Y34-F47 AromaticContact CD2-CZ 3.82Å; Y34-F47 HydrophobicContact CD2-CZ 3.82Å; Y34-F47 HydrophobicContact CE2-CZ 4.27Å; Y34-F47 HydrophobicContact CG-CE2 4.07Å; Y34-F47 AromaticContact CG-CZ 3.74Å; Y34-F47 HydrophobicContact CG-CZ 3.74Å; Y34-Q48 CarbonylContact C-O 3.53Å; Y34-Q48 WeakPolarHBondContact CA-O 3.32Å; Y34-A49 HydrophobicContact CD1-CB 3.35Å; Y34-A49 HydrophobicContact CE1-CB 3.33Å; Y34-A49 HydrophobicContact CG-CB 4.38Å; Y34-Q90 PolarHBondContact OH-OE1 2.95Å; Y34-R93 HydrophobicContact CE2-CB 3.99Å; Y34-R93 WeakPolarHBondContact OH-CD 3.48Å; Y34-R93 PolarHBondContact OH-NH1 2.81Å; Y34-F97 HydrophobicContact CD2-CD2 4.01Å; Y34-F97 HydrophobicContact CD2-CE2 4.37Å; Y34-H118 CarbonylContact O-C 3.54Å; Y34-H118 VanDerWaalsContact O-CA 3.3Å; Y34-H118 WeakPolarHBondContact O-CA 3.18Å; Y34-G119 PolarHBondContact N-O 3.19Å; Y34-G119 PolarHBondContact O-N 3.27Å; Y34-F121 HydrophobicContact CD1-CE1 4.41Å; Y34-F121 AromaticContact CD2-CE1 3.81Å; Y34-F121 HydrophobicContact CD2-CE1 3.81Å; Y34-F121 HydrophobicContact CD2-CZ 4.28Å; Y34-F121 HydrophobicContact CE1-CE1 4.33Å; Y34-F121 HydrophobicContact CE1-CZ 4.11Å; Y34-F121 AromaticContact CE2-CE1 3.7Å; Y34-F121 HydrophobicContact CE2-CE1 3.7Å; Y34-F121 AromaticContact CE2-CZ 3.7Å; Y34-F121 HydrophobicContact CE2-CZ 3.7Å; Y34-F121 HydrophobicContact CG-CE1 4.17Å; Y34-F121 AromaticContact CZ-CZ 3.63Å
35T98.7Very high93.9Very high35 Ų3554.4 Ų54.422%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-132.4129.7175.7-58.30000108.6F47 Q48 L117 H118T35-F47 CarbonylContact O-C 3.57Å; T35-F47 VanDerWaalsContact O-CA 3.32Å; T35-F47 WeakPolarHBondContact O-CA 3.49Å; T35-Q48 PolarHBondContact N-O 2.88Å; T35-Q48 PolarHBondContact O-N 3.35Å; T35-L117 WeakPolarHBondContact CA-O 3.49Å; T35-H118 PolarHBondContact OG1-ND1 3.26Å; T35-H118 VanDerWaalsContact OG1-ND1 3.12Å
36G98.4Very high95.2Very high0 Ų055.4 Ų55.40%029%0.286CS..EExtended strand (participates in β ladder)trans-122.6140.5175.300000110.7Q46 N116 L117G36-Q46 CarbonylContact C-O 3.56Å; G36-Q46 WeakPolarHBondContact CA-O 3.42Å; G36-N116 WeakPolarHBondContact O-CA 3.41Å; G36-L117 PolarHBondContact N-O 2.66Å; G36-L117 PolarHBondContact O-N 3.03Å
37L98.1Very high95.9Very high34 Ų3453.7 Ų53.718%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-117.1126.6177.6-57.8178.8000109.5K39 I44 Q46 M98 N116L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 2.93Å; L37-I44 HydrophobicContact CD1-CG2 3.69Å; L37-Q46 PolarHBondContact N-O 3.49Å; L37-M98 WeakPolarHBondContact O-CE 3.44Å; L37-N116 HydrophobicContact CD2-CB 3.8Å
38S96.5Very high96.1Very high28 Ų2850.1 Ų50.120%0.19626%0.258CS..SBendtrans-68.3-34.8-179.267.30000111.4H115S38-H115 PolarHBondContact N-O 3.04Å; S38-H115 PolarHBondContact OG-N 2.94Å; S38-H115 PolarHBondContact OG-O 3.06Å
39K93.6Very high96.2Very high111 Ų11149.6 Ų49.648%0.48326%0.256SS..SBendtrans-104.3135.5-178.1-164.4169.6-174166.80111L37 V41L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 2.93Å; K39-V41 PolarHBondContact O-N 2.81Å
40L89.9Confident96.2Very high126 Ų12651.8 Ų51.866%0.6627%0.266SS*.  trans-63.7127.3170.9-75.2162.9000109.9Q46L40-Q46 HydrophobicContact CD2-CG 3.41Å; L40-Q46 VanDerWaalsContact CD2-CG 3.41Å; L40-Q46 HydrophobicContact CG-CG 4.13Å
41V89.7Confident96.2Very high67 Ų6751.8 Ų51.841%0.40627%0.265SS..BIsolated β-bridgetrans-116134.7167.6-178.40000106.9K39 D43 I44K39-V41 PolarHBondContact O-N 2.81Å; V41-D43 PolarHBondContact O-N 3.28Å; V41-I44 HydrophobicContact CB-CB 4.1Å; V41-I44 HydrophobicContact CB-CD1 4.11Å; V41-I44 HydrophobicContact CB-CG1 4.28Å; V41-I44 HydrophobicContact CG1-CB 4.41Å; V41-I44 HydrophobicContact CG1-CD1 3.67Å; V41-I44 HydrophobicContact CG1-CG1 4.02Å; V41-I44 PolarHBondContact O-N 3.2Å; V41-I44 VanDerWaalsContact O-N 3.14Å
42E90.2Very high96.2Very high173 Ų17352.4 Ų52.481%0.80827%0.271SS*.THydrogen-bonded Turntrans-54.8135.4179.8-168.8170.4-166.300110.3I44E42-I44 PolarHBondContact O-N 3.42Å
43D91.3Very high96.1Very high129 Ų12951.8 Ų51.869%0.6927%0.268SS*.THydrogen-bonded Turntrans60.5-0.2-176.9-64.6-43.4000118V41 K64V41-D43 PolarHBondContact O-N 3.28Å; D43-K64 IonicContact OD1-NZ 3.88Å
44I94.3Very high96Very high78 Ų7851.7 Ų51.740%0.427%0.268SS..BIsolated β-bridgetrans-103119.8174.6-53.8-175.4000109.4L37 V41 E42 Q46L37-I44 HydrophobicContact CD1-CG2 3.69Å; V41-I44 HydrophobicContact CB-CB 4.1Å; V41-I44 HydrophobicContact CB-CD1 4.11Å; V41-I44 HydrophobicContact CB-CG1 4.28Å; V41-I44 HydrophobicContact CG1-CB 4.41Å; V41-I44 HydrophobicContact CG1-CD1 3.67Å; V41-I44 HydrophobicContact CG1-CG1 4.02Å; V41-I44 PolarHBondContact O-N 3.2Å; V41-I44 VanDerWaalsContact O-N 3.14Å; E42-I44 PolarHBondContact O-N 3.42Å; I44-Q46 PolarHBondContact O-N 2.85Å
45P96.3Very high95.6Very high22 Ų2254.6 Ų54.614%0.14328%0.284CS..  trans-60.3135.6174-20.432000110.9F47 Q48 N62 K64P45-F47 PolarHBondContact O-N 2.97Å; P45-Q48 HydrophobicContact CB-CG 4.08Å; P45-Q48 HydrophobicContact CG-CG 4.36Å; P45-N62 HydrophobicContact CB-CB 3.79Å; P45-N62 HydrophobicContact CG-CB 3.78Å; P45-K64 HydrophobicContact CG-CB 4.43Å
46Q96.6Very high95.4Very high64 Ų6453 Ų5330%0.29927%0.274SS..SBendtrans-61.5-30.1177.1-69.6-173.4-74.300113G36 L37 L40 I44 S63 M98G36-Q46 CarbonylContact C-O 3.56Å; G36-Q46 WeakPolarHBondContact CA-O 3.42Å; L37-Q46 PolarHBondContact N-O 3.49Å; L40-Q46 HydrophobicContact CD2-CG 3.41Å; L40-Q46 VanDerWaalsContact CD2-CG 3.41Å; L40-Q46 HydrophobicContact CG-CG 4.13Å; I44-Q46 PolarHBondContact O-N 2.85Å; Q46-S63 PolarHBondContact N-OG 2.93Å; Q46-S63 VanDerWaalsContact N-OG 3.17Å; Q46-M98 HydrophobicContact CB-CE 4.3Å
47F98.6Very high95.3Very high0 Ų056.1 Ų56.10%029%0.288CS..EExtended strand (participates in β ladder)trans-127.9135.8175.7178-94.4000110.3Y34 T35 P45 A49 Y61 N62 S63 E94 F97 M98Y34-F47 HydrophobicContact CD1-CZ 4.12Å; Y34-F47 HydrophobicContact CD2-CE2 4.16Å; Y34-F47 AromaticContact CD2-CZ 3.82Å; Y34-F47 HydrophobicContact CD2-CZ 3.82Å; Y34-F47 HydrophobicContact CE2-CZ 4.27Å; Y34-F47 HydrophobicContact CG-CE2 4.07Å; Y34-F47 AromaticContact CG-CZ 3.74Å; Y34-F47 HydrophobicContact CG-CZ 3.74Å; T35-F47 CarbonylContact O-C 3.57Å; T35-F47 VanDerWaalsContact O-CA 3.32Å; T35-F47 WeakPolarHBondContact O-CA 3.49Å; P45-F47 PolarHBondContact O-N 2.97Å; F47-A49 HydrophobicContact CE1-CB 3.82Å; F47-A49 HydrophobicContact CZ-CB 4.11Å; F47-Y61 AromaticContact CD1-CD1 3.94Å; F47-Y61 HydrophobicContact CD1-CD1 3.94Å; F47-Y61 AromaticContact CD1-CE1 3.77Å; F47-Y61 HydrophobicContact CD1-CE1 3.77Å; F47-Y61 AromaticContact CE1-CD1 3.8Å; F47-Y61 HydrophobicContact CE1-CD1 3.8Å; F47-Y61 AromaticContact CE1-CE1 3.86Å; F47-Y61 HydrophobicContact CE1-CE1 3.86Å; F47-N62 CarbonylContact O-C 3.55Å; F47-N62 VanDerWaalsContact O-CA 3.25Å; F47-N62 WeakPolarHBondContact O-CA 3.4Å; F47-S63 PolarHBondContact N-OG 3.34Å; F47-S63 VanDerWaalsContact N-OG 3.16Å; F47-S63 PolarHBondContact O-N 3.06Å; F47-E94 HydrophobicContact CB-CG 3.89Å; F47-E94 HydrophobicContact CD1-CB 3.75Å; F47-E94 HydrophobicContact CD1-CG 3.72Å; F47-E94 HydrophobicContact CD2-CG 4.44Å; F47-E94 HydrophobicContact CE1-CB 3.85Å; F47-E94 HydrophobicContact CE1-CG 4.34Å; F47-E94 HydrophobicContact CG-CB 4.14Å; F47-E94 HydrophobicContact CG-CG 3.77Å; F47-E94 HydrophobicContact CZ-CB 4.33Å; F47-F97 HydrophobicContact CD2-CB 4.37Å; F47-F97 AromaticContact CD2-CD1 3.77Å; F47-F97 HydrophobicContact CD2-CD1 3.77Å; F47-F97 HydrophobicContact CD2-CE1 4.34Å; F47-F97 HydrophobicContact CD2-CG 4.17Å; F47-F97 HydrophobicContact CE2-CB 3.83Å; F47-F97 AromaticContact CE2-CD1 3.68Å; F47-F97 HydrophobicContact CE2-CD1 3.68Å; F47-F97 HydrophobicContact CE2-CD2 4.19Å; F47-F97 HydrophobicContact CE2-CE1 4.27Å; F47-F97 AromaticContact CE2-CG 3.63Å; F47-F97 HydrophobicContact CE2-CG 3.63Å; F47-M98 HydrophobicContact CB-CG 4.33Å; F47-M98 HydrophobicContact CB-SD 4.06Å; F47-M98 HydrophobicContact CD2-CG 4.48Å; F47-M98 HydrophobicContact CD2-SD 4.19Å
48Q98.6Very high95.2Very high77 Ų7754.5 Ų54.536%0.3628%0.28SS..EExtended strand (participates in β ladder)trans-134.8139.4176.7-61.2-178.3-69.200109.5Y34 T35 P45 N62Y34-Q48 CarbonylContact C-O 3.53Å; Y34-Q48 WeakPolarHBondContact CA-O 3.32Å; T35-Q48 PolarHBondContact N-O 2.88Å; T35-Q48 PolarHBondContact O-N 3.35Å; P45-Q48 HydrophobicContact CB-CG 4.08Å; P45-Q48 HydrophobicContact CG-CG 4.36Å; Q48-N62 HydrophobicContact CG-CB 4.34Å
49A98.7Very high95.2Very high0 Ų053.3 Ų53.30%027%0.271CS..EExtended strand (participates in β ladder)trans-130.6133177.400000109.9I33 Y34 F47 F59 R60 Y61I33-A49 WeakPolarHBondContact O-CA 3.46Å; Y34-A49 HydrophobicContact CD1-CB 3.35Å; Y34-A49 HydrophobicContact CE1-CB 3.33Å; Y34-A49 HydrophobicContact CG-CB 4.38Å; F47-A49 HydrophobicContact CE1-CB 3.82Å; F47-A49 HydrophobicContact CZ-CB 4.11Å; A49-F59 HydrophobicContact CB-CE1 4.4Å; A49-F59 HydrophobicContact CB-CZ 4.25Å; A49-R60 CarbonylContact O-C 3.56Å; A49-R60 VanDerWaalsContact O-CA 3.31Å; A49-R60 WeakPolarHBondContact O-CA 3.3Å; A49-Y61 HydrophobicContact CB-CD1 4.26Å; A49-Y61 PolarHBondContact N-O 3.42Å; A49-Y61 PolarHBondContact O-N 3.16Å
50L98.1Very high95.4Very high64 Ų6453.4 Ų53.434%0.33527%0.269SS..EExtended strand (participates in β ladder)trans-130.2143.3-179.5-53.1167.1000108.2Y32 I33 R60Y32-L50 WeakPolarHBondContact CA-O 3.44Å; I33-L50 PolarHBondContact N-O 2.92Å; I33-L50 PolarHBondContact O-N 3.36Å; L50-R60 HydrophobicContact CD2-CB 4.02Å
51G98.1Very high95.8Very high0 Ų047.5 Ų47.50%024%0.238CC..EExtended strand (participates in β ladder)trans-129.2136.3174.200000110.9T31 Q57 F58 F59T31-G51 CarbonylContact O-C 3.55Å; T31-G51 WeakPolarHBondContact O-CA 3.39Å; G51-Q57 WeakPolarHBondContact O-CA 3.5Å; G51-Q57 VanDerWaalsContact O-CG 3.29Å; G51-Q57 WeakPolarHBondContact O-CG 3.16Å; G51-F58 WeakPolarHBondContact O-CD1 3.35Å; G51-F58 PolarHBondContact O-N 2.91Å; G51-F59 PolarHBondContact N-O 2.89Å; G51-F59 VanDerWaalsContact N-O 3.12Å; G51-F59 PolarHBondContact O-N 3.14Å
52S97.6Very high96.3Very high29 Ų2945.3 Ų45.320%0.20322%0.224CC..EExtended strand (participates in β ladder)trans-125140.7179.9-57.10000111.6T31 L56T31-S52 PolarHBondContact N-O 3.48Å; T31-S52 PolarHBondContact O-N 3.16Å; S52-L56 CarbonylContact C-O 3.54Å; S52-L56 WeakPolarHBondContact CA-O 3.41Å; S52-L56 WeakPolarHBondContact CB-O 3.33Å
53L97.8Very high96.6Very high0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-106.5117.9164.5-76.2167.1000106.9S29 L30 D55 L56 F58 W74 M80 L190 Y193 L201S29-L53 WeakPolarHBondContact O-CA 3.28Å; L30-L53 HydrophobicContact CB-CD2 4.4Å; L30-L53 HydrophobicContact CD1-CD2 4.07Å; L53-D55 PolarHBondContact O-N 3.03Å; L53-L56 PolarHBondContact N-O 3.35Å; L53-L56 PolarHBondContact O-N 3.34Å; L53-F58 HydrophobicContact CB-CD1 4.42Å; L53-F58 HydrophobicContact CD1-CB 4.42Å; L53-F58 HydrophobicContact CD1-CD1 4.16Å; L53-F58 HydrophobicContact CD1-CG 4.21Å; L53-F58 HydrophobicContact CG-CD1 3.82Å; L53-F58 HydrophobicContact CG-CE1 4.17Å; L53-F58 HydrophobicContact CG-CG 4.37Å; L53-W74 HydrophobicContact CB-CH2 4.33Å; L53-W74 HydrophobicContact CB-CZ2 4.15Å; L53-W74 HydrophobicContact CD1-CZ2 3.66Å; L53-M80 HydrophobicContact CD1-CE 3.65Å; L53-L190 HydrophobicContact CD2-CD1 3.47Å; L53-L190 VanDerWaalsContact CD2-CD1 3.47Å; L53-Y193 HydrophobicContact CD1-CD2 4.34Å; L53-Y193 HydrophobicContact CD2-CD2 4.31Å; L53-L201 HydrophobicContact CB-CD1 4.14Å; L53-L201 HydrophobicContact CB-CD2 4.03Å
54N95.6Very high96.9Very high44 Ų4439 Ų3924%0.23519%0.19CC..THydrogen-bonded Turntrans51.7-121.5-166.1-64.9-3.9000111.2Y28 S29 L201Y28-N54 VanDerWaalsContact CA-OD1 3.25Å; Y28-N54 WeakPolarHBondContact CA-OD1 3.49Å; S29-N54 PolarHBondContact N-OD1 2.76Å; S29-N54 PolarHBondContact O-N 2.97Å; S29-N54 WeakPolarHBondContact OG-CA 3.4Å; N54-L201 HydrophobicContact CB-CD2 4.38Å
55D92.1Very high97.1Very high65 Ų6539.2 Ų39.235%0.34819%0.193SC..THydrogen-bonded Turntrans-93-2.9-178.354.3-14.1000113.5L53 Y231 Y262L53-D55 PolarHBondContact O-N 3.03Å; D55-Y231 WeakPolarHBondContact OD1-CE2 3.35Å; D55-Y231 PolarHBondContact OD1-OH 3.39Å; D55-Y262 WeakPolarHBondContact CB-OH 3.4Å; D55-Y262 PolarHBondContact OD2-OH 2.95Å
56L94.1Very high97.1Very high3 Ų343 Ų432%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-108.1128.9-175.7-57.6179.8000111.7S52 L53 W74 I200 L201 Y231 H256S52-L56 CarbonylContact C-O 3.54Å; S52-L56 WeakPolarHBondContact CA-O 3.41Å; S52-L56 WeakPolarHBondContact CB-O 3.33Å; L53-L56 PolarHBondContact N-O 3.35Å; L53-L56 PolarHBondContact O-N 3.34Å; L56-W74 HydrophobicContact CB-CH2 3.72Å; L56-W74 HydrophobicContact CB-CZ3 3.67Å; L56-W74 HydrophobicContact CD1-CH2 4Å; L56-W74 HydrophobicContact CD1-CZ3 4.2Å; L56-I200 HydrophobicContact CD1-CG2 3.75Å; L56-L201 HydrophobicContact CD1-CD2 4.33Å; L56-Y231 HydrophobicContact CD1-CE2 3.87Å; L56-Y231 HydrophobicContact CD2-CD2 4.45Å; L56-Y231 HydrophobicContact CD2-CE2 3.86Å; L56-Y231 HydrophobicContact CG-CE2 3.91Å; L56-H256 WeakPolarHBondContact CD2-NE2 3.29Å
57Q95.3Very high97.2Very high64 Ų6446 Ų4630%0.29922%0.216SC..EExtended strand (participates in β ladder)trans-72.9129.9171.5-166-174.4-2800110G51 F59 V71G51-Q57 WeakPolarHBondContact O-CA 3.5Å; G51-Q57 VanDerWaalsContact O-CG 3.29Å; G51-Q57 WeakPolarHBondContact O-CG 3.16Å; Q57-F59 PolarHBondContact NE2-O 3.3Å; Q57-V71 HydrophobicContact CB-CG2 4.06Å; Q57-V71 HydrophobicContact CG-CG2 3.71Å; Q57-V71 WeakPolarHBondContact O-CG2 3.13Å
58F96.6Very high97.2Very high1 Ų146.4 Ų46.40%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-111.9-21.4178.977-85.6000113.3L30 Y32 G51 L53 P70 V71 W74 M80 W83 Y193L30-F58 HydrophobicContact CD1-CE1 3.63Å; L30-F58 HydrophobicContact CD1-CZ 3.93Å; Y32-F58 HydrophobicContact CE1-CZ 4.14Å; G51-F58 WeakPolarHBondContact O-CD1 3.35Å; G51-F58 PolarHBondContact O-N 2.91Å; L53-F58 HydrophobicContact CB-CD1 4.42Å; L53-F58 HydrophobicContact CD1-CB 4.42Å; L53-F58 HydrophobicContact CD1-CD1 4.16Å; L53-F58 HydrophobicContact CD1-CG 4.21Å; L53-F58 HydrophobicContact CG-CD1 3.82Å; L53-F58 HydrophobicContact CG-CE1 4.17Å; L53-F58 HydrophobicContact CG-CG 4.37Å; F58-P70 CarbonylContact O-C 3.53Å; F58-P70 VanDerWaalsContact O-CA 3.27Å; F58-P70 WeakPolarHBondContact O-CA 3.28Å; F58-V71 PolarHBondContact O-N 3.49Å; F58-W74 HydrophobicContact CB-CB 4.3Å; F58-W74 HydrophobicContact CB-CD2 3.34Å; F58-W74 HydrophobicContact CB-CE3 3.47Å; F58-W74 VanDerWaalsContact CB-CE3 3.47Å; F58-W74 HydrophobicContact CB-CG 3.72Å; F58-W74 HydrophobicContact CB-CH2 4.26Å; F58-W74 HydrophobicContact CB-CZ2 4.16Å; F58-W74 HydrophobicContact CB-CZ3 3.94Å; F58-M80 HydrophobicContact CD2-CE 3.84Å; F58-M80 HydrophobicContact CE2-CE 4.18Å; F58-M80 HydrophobicContact CG-CE 4.42Å; F58-W83 AromaticContact CD2-CH2 3.97Å; F58-W83 HydrophobicContact CD2-CH2 3.97Å; F58-W83 HydrophobicContact CE2-CH2 4.06Å; F58-Y193 HydrophobicContact CE2-CD2 4.27Å; F58-Y193 AromaticContact CE2-CE2 3.68Å; F58-Y193 HydrophobicContact CE2-CE2 3.68Å; F58-Y193 HydrophobicContact CZ-CD2 4.18Å; F58-Y193 AromaticContact CZ-CE2 3.61Å; F58-Y193 HydrophobicContact CZ-CE2 3.61Å
59F96.7Very high97.2Very high2 Ų245.8 Ų45.81%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-143.2152.3-176.6140.1-90.1000112.9Y32 A49 G51 Q57 S68 Q69 W83 Q90Y32-F59 HydrophobicContact CD1-CE1 4.37Å; Y32-F59 HydrophobicContact CE1-CD1 4.35Å; Y32-F59 HydrophobicContact CE1-CE1 4.39Å; A49-F59 HydrophobicContact CB-CE1 4.4Å; A49-F59 HydrophobicContact CB-CZ 4.25Å; G51-F59 PolarHBondContact N-O 2.89Å; G51-F59 VanDerWaalsContact N-O 3.12Å; G51-F59 PolarHBondContact O-N 3.14Å; Q57-F59 PolarHBondContact NE2-O 3.3Å; F59-S68 VanDerWaalsContact CE2-CB 3.47Å; F59-S68 WeakPolarHBondContact CE2-OG 3.33Å; F59-Q69 CarbonylContact C-O 3.59Å; F59-Q69 WeakPolarHBondContact CA-O 3.31Å; F59-W83 HydrophobicContact CB-CH2 3.95Å; F59-W83 HydrophobicContact CB-CZ3 3.78Å; F59-W83 HydrophobicContact CD2-CE3 4.37Å; F59-W83 AromaticContact CD2-CZ3 3.85Å; F59-W83 HydrophobicContact CD2-CZ3 3.85Å; F59-W83 HydrophobicContact CG-CZ3 4.12Å; F59-Q90 HydrophobicContact CE2-CG 4.18Å; F59-Q90 HydrophobicContact CZ-CG 3.84Å
60R98.1Very high97.1Very high113 Ų11347.3 Ų47.343%0.42623%0.226SC..EExtended strand (participates in β ladder)trans-138.7154.2165.871.4-179-176.6-178.43.2112.5A49 L50 Q69 V71A49-R60 CarbonylContact O-C 3.56Å; A49-R60 VanDerWaalsContact O-CA 3.31Å; A49-R60 WeakPolarHBondContact O-CA 3.3Å; L50-R60 HydrophobicContact CD2-CB 4.02Å; R60-Q69 HydrophobicContact CG-CB 4.28Å; R60-Q69 PolarHBondContact N-O 3.3Å; R60-Q69 PolarHBondContact O-N 3.37Å; R60-V71 HydrophobicContact CB-CG1 4.15Å; R60-V71 HydrophobicContact CG-CG1 3.64Å
61Y98.7Very high97Very high3 Ų345 Ų451%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-144.7150.1169.4170.1-80.4000109.5F47 A49 R66 Q90 K91 E94F47-Y61 AromaticContact CD1-CD1 3.94Å; F47-Y61 HydrophobicContact CD1-CD1 3.94Å; F47-Y61 AromaticContact CD1-CE1 3.77Å; F47-Y61 HydrophobicContact CD1-CE1 3.77Å; F47-Y61 AromaticContact CE1-CD1 3.8Å; F47-Y61 HydrophobicContact CE1-CD1 3.8Å; F47-Y61 AromaticContact CE1-CE1 3.86Å; F47-Y61 HydrophobicContact CE1-CE1 3.86Å; A49-Y61 HydrophobicContact CB-CD1 4.26Å; A49-Y61 PolarHBondContact N-O 3.42Å; A49-Y61 PolarHBondContact O-N 3.16Å; Y61-R66 HydrophobicContact CE2-CB 4.36Å; Y61-Q90 HydrophobicContact CD1-CB 3.98Å; Y61-Q90 HydrophobicContact CD2-CB 3.41Å; Y61-Q90 VanDerWaalsContact CD2-CB 3.41Å; Y61-Q90 HydrophobicContact CD2-CG 3.95Å; Y61-Q90 HydrophobicContact CE1-CB 4.13Å; Y61-Q90 HydrophobicContact CE2-CB 3.57Å; Y61-Q90 HydrophobicContact CG-CB 3.65Å; Y61-Q90 HydrophobicContact CG-CG 4.05Å; Y61-K91 HydrophobicContact CE2-CG 4.32Å; Y61-K91 VanDerWaalsContact OH-CG 3.23Å; Y61-K91 WeakPolarHBondContact OH-CG 3.25Å; Y61-E94 HydrophobicContact CE1-CB 4.42Å; Y61-E94 VanDerWaalsContact CE1-OE2 3.24Å; Y61-E94 WeakPolarHBondContact CE1-OE2 3.19Å; Y61-E94 VanDerWaalsContact CZ-OE2 3.28Å; Y61-E94 PolarHBondContact OH-OE2 3.22Å
62N98.4Very high96.7Very high20 Ų2046.2 Ų46.211%0.10723%0.227CC..EExtended strand (participates in β ladder)trans-147.4158.8171.771.768000111.8P45 F47 Q48 K64 D65 R66P45-N62 HydrophobicContact CB-CB 3.79Å; P45-N62 HydrophobicContact CG-CB 3.78Å; F47-N62 CarbonylContact O-C 3.55Å; F47-N62 VanDerWaalsContact O-CA 3.25Å; F47-N62 WeakPolarHBondContact O-CA 3.4Å; Q48-N62 HydrophobicContact CG-CB 4.34Å; N62-K64 PolarHBondContact O-N 2.99Å; N62-K64 WeakPolarHBondContact OD1-CA 3.44Å; N62-K64 VanDerWaalsContact OD1-CB 3.31Å; N62-K64 WeakPolarHBondContact OD1-CB 3.15Å; N62-K64 PolarHBondContact OD1-N 3.39Å; N62-D65 PolarHBondContact ND2-OD2 3.43Å; N62-D65 PolarHBondContact OD1-N 3.39Å; N62-R66 WeakPolarHBondContact O-CA 3.16Å; N62-R66 PolarHBondContact O-N 2.92Å
63S98Very high96.5Very high25 Ų2547.3 Ų47.318%0.17523%0.23CC..THydrogen-bonded Turntrans-68.9-15.3-176.858.60000115.2Q46 F47 R66 E94Q46-S63 PolarHBondContact N-OG 2.93Å; Q46-S63 VanDerWaalsContact N-OG 3.17Å; F47-S63 PolarHBondContact N-OG 3.34Å; F47-S63 VanDerWaalsContact N-OG 3.16Å; F47-S63 PolarHBondContact O-N 3.06Å; S63-R66 WeakPolarHBondContact O-CG 3.5Å; S63-E94 WeakPolarHBondContact CB-OE1 3.33Å
64K96.9Very high96.5Very high144 Ų14447.5 Ų47.563%0.62623%0.231SC*.THydrogen-bonded Turntrans-80.2-50.6177.1-171.6176.3-177.71740111.1D43 P45 N62D43-K64 IonicContact OD1-NZ 3.88Å; P45-K64 HydrophobicContact CG-CB 4.43Å; N62-K64 PolarHBondContact O-N 2.99Å; N62-K64 WeakPolarHBondContact OD1-CA 3.44Å; N62-K64 VanDerWaalsContact OD1-CB 3.31Å; N62-K64 WeakPolarHBondContact OD1-CB 3.15Å; N62-K64 PolarHBondContact OD1-N 3.39Å
65D97.4Very high96.4Very high84 Ų8453 Ų5345%0.44925%0.248SC..THydrogen-bonded Turntrans-84.7-27.6-178.1-62.6-44.3000112.8N62 K67N62-D65 PolarHBondContact ND2-OD2 3.43Å; N62-D65 PolarHBondContact OD1-N 3.39Å; D65-K67 WeakPolarHBondContact O-CG 3.47Å; D65-K67 PolarHBondContact O-N 2.96Å; D65-K67 VanDerWaalsContact O-N 3.17Å
66R98Very high96.5Very high100 Ų10058.5 Ų58.538%0.37727%0.272SS..  trans47.740.3-177.4-54.4-170.671.1177.85.8113.6Y61 N62 S63 K91Y61-R66 HydrophobicContact CE2-CB 4.36Å; N62-R66 WeakPolarHBondContact O-CA 3.16Å; N62-R66 PolarHBondContact O-N 2.92Å; S63-R66 WeakPolarHBondContact O-CG 3.5Å; R66-K91 VanDerWaalsContact O-CE 3.25Å; R66-K91 WeakPolarHBondContact O-CE 3.05Å
67K98.4Very high96.6Very high129 Ų12959.8 Ų59.856%0.56128%0.28SS*.  trans-133.9131.4-179.8-73.7173.8-175.3176.30110.4D65 Q69D65-K67 WeakPolarHBondContact O-CG 3.47Å; D65-K67 PolarHBondContact O-N 2.96Å; D65-K67 VanDerWaalsContact O-N 3.17Å; K67-Q69 HydrophobicContact CB-CG 4.39Å
68S98.4Very high96.6Very high7 Ų765 Ų655%0.04930%0.304CS..  trans-74.8126.4165.7-60.70000109.3F59 D86 S87 Q90F59-S68 VanDerWaalsContact CE2-CB 3.47Å; F59-S68 WeakPolarHBondContact CE2-OG 3.33Å; S68-D86 WeakPolarHBondContact CB-OD2 3.35Å; S68-D86 PolarHBondContact OG-OD2 2.79Å; S68-S87 PolarHBondContact N-OG 3.39Å; S68-S87 WeakPolarHBondContact OG-CA 3.34Å; S68-S87 PolarHBondContact OG-N 3.36Å; S68-Q90 VanDerWaalsContact OG-CG 3.26Å; S68-Q90 WeakPolarHBondContact OG-CG 3.34Å
69Q97.8Very high96.6Very high65 Ų6567.7 Ų67.730%0.30433%0.333SS..EExtended strand (participates in β ladder)trans-129.6134-177.7-62.2-175.6-46.200110.3F59 R60 K67F59-Q69 CarbonylContact C-O 3.59Å; F59-Q69 WeakPolarHBondContact CA-O 3.31Å; R60-Q69 HydrophobicContact CG-CB 4.28Å; R60-Q69 PolarHBondContact N-O 3.3Å; R60-Q69 PolarHBondContact O-N 3.37Å; K67-Q69 HydrophobicContact CB-CG 4.39Å
70P97.3Very high96.6Very high32 Ų3267.6 Ų67.621%0.20833%0.332CS..EExtended strand (participates in β ladder)trans-65.2148.416727.7-32.1000110.5F58 W74 W83F58-P70 CarbonylContact O-C 3.53Å; F58-P70 VanDerWaalsContact O-CA 3.27Å; F58-P70 WeakPolarHBondContact O-CA 3.28Å; P70-W74 HydrophobicContact CB-CB 4.18Å; P70-W74 WeakPolarHBondContact CB-O 3.5Å; P70-W83 HydrophobicContact CB-CH2 4.36Å; P70-W83 HydrophobicContact CB-CZ2 3.67Å; P70-W83 HydrophobicContact CG-CZ2 4.29Å
71V94.8Very high96.6Very high14 Ų1464.3 Ų64.39%0.08532%0.321CS..  trans-131.4168176.5-58.40000111.4Q57 F58 R60 L73 W74Q57-V71 HydrophobicContact CB-CG2 4.06Å; Q57-V71 HydrophobicContact CG-CG2 3.71Å; Q57-V71 WeakPolarHBondContact O-CG2 3.13Å; F58-V71 PolarHBondContact O-N 3.49Å; R60-V71 HydrophobicContact CB-CG1 4.15Å; R60-V71 HydrophobicContact CG-CG1 3.64Å; V71-L73 PolarHBondContact O-N 2.94Å; V71-W74 PolarHBondContact O-N 2.72Å; V71-W74 VanDerWaalsContact O-N 3.15Å
72G92.6Very high96.5Very high26 Ų2668 Ų6827%0.26834%0.342SS..G310 helixtrans54.2-133.8-177.400000111.8W74 R75G72-W74 PolarHBondContact O-N 2.82Å; G72-R75 WeakPolarHBondContact O-CG 3.48Å; G72-R75 PolarHBondContact O-N 2.96Å
73L94.1Very high96.5Very high53 Ų5369.3 Ų69.328%0.27735%0.345SS..G310 helixtrans-68.5-18.6-177.4-60.8165000113.2V71 R75 I200V71-L73 PolarHBondContact O-N 2.94Å; L73-R75 VanDerWaalsContact C-N 3.27Å; L73-R75 PolarHBondContact O-N 2.69Å; L73-I200 HydrophobicContact CB-CD1 3.83Å; L73-I200 HydrophobicContact CB-CG1 4.19Å; L73-I200 HydrophobicContact CB-CG2 4.24Å; L73-I200 HydrophobicContact CD1-CG1 4.46Å; L73-I200 HydrophobicContact CD1-CG2 3.55Å
74W96.3Very high96.5Very high3 Ų376.3 Ų76.31%0.01137%0.372CS..G310 helixtrans-78.6-7.2179.1-74.1-87.6000114.1L53 L56 F58 P70 V71 G72 E76 V77 M80 S197 I200 L201L53-W74 HydrophobicContact CB-CH2 4.33Å; L53-W74 HydrophobicContact CB-CZ2 4.15Å; L53-W74 HydrophobicContact CD1-CZ2 3.66Å; L56-W74 HydrophobicContact CB-CH2 3.72Å; L56-W74 HydrophobicContact CB-CZ3 3.67Å; L56-W74 HydrophobicContact CD1-CH2 4Å; L56-W74 HydrophobicContact CD1-CZ3 4.2Å; F58-W74 HydrophobicContact CB-CB 4.3Å; F58-W74 HydrophobicContact CB-CD2 3.34Å; F58-W74 HydrophobicContact CB-CE3 3.47Å; F58-W74 VanDerWaalsContact CB-CE3 3.47Å; F58-W74 HydrophobicContact CB-CG 3.72Å; F58-W74 HydrophobicContact CB-CH2 4.26Å; F58-W74 HydrophobicContact CB-CZ2 4.16Å; F58-W74 HydrophobicContact CB-CZ3 3.94Å; P70-W74 HydrophobicContact CB-CB 4.18Å; P70-W74 WeakPolarHBondContact CB-O 3.5Å; V71-W74 PolarHBondContact O-N 2.72Å; V71-W74 VanDerWaalsContact O-N 3.15Å; G72-W74 PolarHBondContact O-N 2.82Å; W74-E76 PolarHBondContact O-N 3.28Å; W74-V77 HydrophobicContact CG-CG2 4.5Å; W74-V77 PolarHBondContact O-N 2.84Å; W74-M80 HydrophobicContact CG-SD 4.31Å; W74-M80 PolarHBondContact NE1-SD 3.19Å; W74-S197 PolarHBondContact NE1-OG 2.9Å; W74-I200 HydrophobicContact CD2-CD1 4.25Å; W74-I200 HydrophobicContact CH2-CG2 3.75Å; W74-I200 HydrophobicContact CZ2-CB 4.5Å; W74-I200 HydrophobicContact CZ2-CD1 4.34Å; W74-I200 HydrophobicContact CZ2-CG2 4.04Å; W74-I200 HydrophobicContact CZ3-CG2 4.19Å; W74-L201 HydrophobicContact CH2-CD2 4.01Å; W74-L201 HydrophobicContact CZ2-CD2 4.17Å; W74-L201 HydrophobicContact CZ2-CG 4.44Å
75R95.4Very high96.5Very high159 Ų15975.8 Ų75.860%0.637%0.372SS*.G310 helixtrans-60.9-27.3172.8-68.1-178.8-168.3156.37.9112.5G72 L73G72-R75 WeakPolarHBondContact O-CG 3.48Å; G72-R75 PolarHBondContact O-N 2.96Å; L73-R75 VanDerWaalsContact C-N 3.27Å; L73-R75 PolarHBondContact O-N 2.69Å
76E93.9Very high96.5Very high181 Ų18172.6 Ų72.685%0.84636%0.355SS*.G310 helixtrans-99.80.6-178.5-59.3-177.6179.200112.6W74W74-E76 PolarHBondContact O-N 3.28Å
77V95.9Very high96.6Very high30 Ų3068.3 Ų68.318%0.18234%0.34CS..  trans-94.3113.3-178.8178.80000110.1W74 M80 Y196 I200W74-V77 HydrophobicContact CG-CG2 4.5Å; W74-V77 PolarHBondContact O-N 2.84Å; V77-M80 HydrophobicContact CG1-CB 3.89Å; V77-M80 HydrophobicContact CG1-SD 4.35Å; V77-Y196 HydrophobicContact CG1-CD1 4.34Å; V77-I200 HydrophobicContact CG2-CD1 3.93Å
78E95.7Very high96.6Very high174 Ų17467.6 Ų67.681%0.81334%0.339SS*.  trans-93.5148.5177.4-63.5-173.2175.800112.5M80E78-M80 PolarHBondContact O-N 3.25Å
79G95.2Very high96.5Very high58 Ų5870.9 Ų70.960%0.59836%0.356SS*.SBendtrans76.1-3.9172.100000116.3Y196G79-Y196 PolarHBondContact O-OH 2.96Å
80M97.1Very high96.6Very high0 Ų067.8 Ų67.80%034%0.341CS..SBendtrans-65.9-40.7175.9178.3-173.7172.600112.3L53 F58 W74 V77 E78 K192 Y193 Y196L53-M80 HydrophobicContact CD1-CE 3.65Å; F58-M80 HydrophobicContact CD2-CE 3.84Å; F58-M80 HydrophobicContact CE2-CE 4.18Å; F58-M80 HydrophobicContact CG-CE 4.42Å; W74-M80 HydrophobicContact CG-SD 4.31Å; W74-M80 PolarHBondContact NE1-SD 3.19Å; V77-M80 HydrophobicContact CG1-CB 3.89Å; V77-M80 HydrophobicContact CG1-SD 4.35Å; E78-M80 PolarHBondContact O-N 3.25Å; M80-K192 WeakPolarHBondContact O-CE 3.1Å; M80-K192 PolarHBondContact O-NZ 2.95Å; M80-K192 VanDerWaalsContact O-NZ 3.16Å; M80-Y193 HydrophobicContact CE-CD1 3.52Å; M80-Y193 HydrophobicContact CE-CD2 3.55Å; M80-Y193 HydrophobicContact CE-CE1 4.07Å; M80-Y193 HydrophobicContact CE-CE2 4.1Å; M80-Y193 HydrophobicContact CE-CG 3.24Å; M80-Y193 HydrophobicContact CG-CD1 3.65Å; M80-Y193 HydrophobicContact CG-CE1 4.06Å; M80-Y193 HydrophobicContact CG-CG 4.32Å; M80-Y193 HydrophobicContact SD-CD1 4.43Å; M80-Y196 HydrophobicContact CB-CD1 4.06Å; M80-Y196 HydrophobicContact CB-CD2 4.11Å; M80-Y196 HydrophobicContact CB-CG 3.77Å; M80-Y196 HydrophobicContact CG-CD2 4.21Å; M80-Y196 HydrophobicContact CG-CG 4.17Å
81E97.6Very high96.6Very high43 Ų4368.5 Ų68.520%0.20134%0.341CS..  trans-147.6147.4177.9-16554.8-85.900112W83 D86 K192 Y193E81-W83 HydrophobicContact CB-CD2 4.26Å; E81-W83 HydrophobicContact CB-CE3 4.31Å; E81-W83 HydrophobicContact CB-CH2 4.15Å; E81-W83 HydrophobicContact CB-CZ2 4.09Å; E81-W83 HydrophobicContact CB-CZ3 4.25Å; E81-W83 HydrophobicContact CG-CE3 4.34Å; E81-W83 HydrophobicContact CG-CZ3 4.36Å; E81-W83 PolarHBondContact O-N 2.98Å; E81-D86 HydrophobicContact CG-CB 4.26Å; E81-K192 VanDerWaalsContact CD-NZ 3.34Å; E81-K192 IonicContact OE1-NZ 2.82Å; E81-K192 PolarHBondContact OE1-NZ 3.39Å; E81-K192 IonicContact OE2-NZ 2.69Å; E81-K192 PolarHBondContact OE2-NZ 2.91Å; E81-K192 VanDerWaalsContact OE2-NZ 3.08Å; E81-Y193 HydrophobicContact CB-CE1 4.36Å; E81-Y193 VanDerWaalsContact OE2-CE1 3.25Å; E81-Y193 WeakPolarHBondContact OE2-CE1 3.3Å; E81-Y193 PolarHBondContact OE2-OH 2.92Å
82D97.8Very high96.8Very high82 Ų8270.2 Ų70.244%0.43936%0.357SS..  trans-81.993.7164.3-175.1-21.6000109K84 Q85 D86D82-K84 PolarHBondContact O-N 2.84Å; D82-K84 WeakPolarHBondContact OD1-CA 3.08Å; D82-K84 WeakPolarHBondContact OD1-CB 3.03Å; D82-K84 PolarHBondContact OD1-N 2.74Å; D82-Q85 HydrophobicContact CB-CB 3.93Å; D82-Q85 PolarHBondContact O-N 3.26Å; D82-Q85 VanDerWaalsContact O-N 3.11Å; D82-Q85 PolarHBondContact OD1-N 2.92Å; D82-D86 PolarHBondContact O-N 3.25Å
83W97.8Very high97.1Very high47 Ų4772 Ų7218%0.17836%0.355CS..Hα-helixtrans-60.6-25.4-179.4-60.1115.7000113.9F58 F59 P70 E81 S87F58-W83 AromaticContact CD2-CH2 3.97Å; F58-W83 HydrophobicContact CD2-CH2 3.97Å; F58-W83 HydrophobicContact CE2-CH2 4.06Å; F59-W83 HydrophobicContact CB-CH2 3.95Å; F59-W83 HydrophobicContact CB-CZ3 3.78Å; F59-W83 HydrophobicContact CD2-CE3 4.37Å; F59-W83 AromaticContact CD2-CZ3 3.85Å; F59-W83 HydrophobicContact CD2-CZ3 3.85Å; F59-W83 HydrophobicContact CG-CZ3 4.12Å; P70-W83 HydrophobicContact CB-CH2 4.36Å; P70-W83 HydrophobicContact CB-CZ2 3.67Å; P70-W83 HydrophobicContact CG-CZ2 4.29Å; E81-W83 HydrophobicContact CB-CD2 4.26Å; E81-W83 HydrophobicContact CB-CE3 4.31Å; E81-W83 HydrophobicContact CB-CH2 4.15Å; E81-W83 HydrophobicContact CB-CZ2 4.09Å; E81-W83 HydrophobicContact CB-CZ3 4.25Å; E81-W83 HydrophobicContact CG-CE3 4.34Å; E81-W83 HydrophobicContact CG-CZ3 4.36Å; E81-W83 PolarHBondContact O-N 2.98Å; W83-S87 WeakPolarHBondContact O-CB 3.4Å; W83-S87 PolarHBondContact O-N 2.9Å; W83-S87 PolarHBondContact O-OG 3.34Å
84K97.5Very high97.3Very high171 Ų17170.5 Ų70.574%0.74335%0.347SS*.Hα-helixtrans-74.8-40.5176.2-67.1178.5-178.7172.50110.6D82 S87D82-K84 PolarHBondContact O-N 2.84Å; D82-K84 WeakPolarHBondContact OD1-CA 3.08Å; D82-K84 WeakPolarHBondContact OD1-CB 3.03Å; D82-K84 PolarHBondContact OD1-N 2.74Å; K84-S87 WeakPolarHBondContact O-CB 3.29Å; K84-S87 PolarHBondContact O-N 2.05Å
85Q97.6Very high97.4Very high134 Ų13474.8 Ų74.863%0.62637%0.37SS*.Hα-helixtrans-67.2-46.3174.2-173.9174.6-2.600110.9D82 S87 Q88 L89D82-Q85 HydrophobicContact CB-CB 3.93Å; D82-Q85 PolarHBondContact O-N 3.26Å; D82-Q85 VanDerWaalsContact O-N 3.11Å; D82-Q85 PolarHBondContact OD1-N 2.92Å; Q85-S87 PolarHBondContact O-N 3.38Å; Q85-Q88 WeakPolarHBondContact O-CB 3.46Å; Q85-Q88 PolarHBondContact O-N 3.02Å; Q85-L89 PolarHBondContact O-N 2.86Å
86D98.1Very high97.5Very high17 Ų1771.9 Ų71.99%0.09137%0.365CS..Hα-helixtrans-59.8-36.2176.4-178.265.2000111.4S68 E81 D82 Q88 L89 Q90S68-D86 WeakPolarHBondContact CB-OD2 3.35Å; S68-D86 PolarHBondContact OG-OD2 2.79Å; E81-D86 HydrophobicContact CG-CB 4.26Å; D82-D86 PolarHBondContact O-N 3.25Å; D86-Q88 PolarHBondContact O-N 3.43Å; D86-Q88 VanDerWaalsContact O-N 3.15Å; D86-L89 CarbonylContact O-C 3.54Å; D86-L89 WeakPolarHBondContact O-CA 3.36Å; D86-L89 WeakPolarHBondContact O-CB 3.29Å; D86-L89 PolarHBondContact O-N 3.03Å; D86-Q90 WeakPolarHBondContact O-CG 3.28Å; D86-Q90 PolarHBondContact O-N 3.28Å; D86-Q90 PolarHBondContact OD1-NE2 2.8Å
87S98.6Very high97.7Very high9 Ų963.6 Ų63.66%0.06333%0.326CS..Hα-helixtrans-56.9-32.9174.1-61.60000113.1S68 W83 K84 Q85 K91S68-S87 PolarHBondContact N-OG 3.39Å; S68-S87 WeakPolarHBondContact OG-CA 3.34Å; S68-S87 PolarHBondContact OG-N 3.36Å; W83-S87 WeakPolarHBondContact O-CB 3.4Å; W83-S87 PolarHBondContact O-N 2.9Å; W83-S87 PolarHBondContact O-OG 3.34Å; K84-S87 WeakPolarHBondContact O-CB 3.29Å; K84-S87 PolarHBondContact O-N 2.05Å; Q85-S87 PolarHBondContact O-N 3.38Å; S87-K91 VanDerWaalsContact O-CG 3.26Å; S87-K91 WeakPolarHBondContact O-CG 3.35Å; S87-K91 PolarHBondContact O-N 3.43Å
88Q98.4Very high97.8Very high114 Ų11463.3 Ų63.353%0.53332%0.324SS..Hα-helixtrans-75.8-37.5176-54.7-55.7-34.500111.5Q85 D86 K91 A92Q85-Q88 WeakPolarHBondContact O-CB 3.46Å; Q85-Q88 PolarHBondContact O-N 3.02Å; D86-Q88 PolarHBondContact O-N 3.43Å; D86-Q88 VanDerWaalsContact O-N 3.15Å; Q88-K91 PolarHBondContact O-N 3.35Å; Q88-A92 PolarHBondContact O-N 3.36Å; Q88-A92 VanDerWaalsContact O-N 3.12Å
89L97.6Very high98Very high77 Ų7760.5 Ų60.540%0.40331%0.31SS..Hα-helixtrans-60.8-44.9173.2178.963000111.3Q85 D86 K91 A92 R93Q85-L89 PolarHBondContact O-N 2.86Å; D86-L89 CarbonylContact O-C 3.54Å; D86-L89 WeakPolarHBondContact O-CA 3.36Å; D86-L89 WeakPolarHBondContact O-CB 3.29Å; D86-L89 PolarHBondContact O-N 3.03Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.17Å; L89-A92 PolarHBondContact O-N 3.2Å; L89-R93 WeakPolarHBondContact O-CG 3.37Å; L89-R93 PolarHBondContact O-N 2.9Å
90Q98.6Very high98.1Very high0 Ų058 Ų580%028%0.284CS..Hα-helixtrans-65.3-35.7178.6-60.2-50.3-46.100112.4Y34 F59 Y61 S68 D86 R93 E94Y34-Q90 PolarHBondContact OH-OE1 2.95Å; F59-Q90 HydrophobicContact CE2-CG 4.18Å; F59-Q90 HydrophobicContact CZ-CG 3.84Å; Y61-Q90 HydrophobicContact CD1-CB 3.98Å; Y61-Q90 HydrophobicContact CD2-CB 3.41Å; Y61-Q90 VanDerWaalsContact CD2-CB 3.41Å; Y61-Q90 HydrophobicContact CD2-CG 3.95Å; Y61-Q90 HydrophobicContact CE1-CB 4.13Å; Y61-Q90 HydrophobicContact CE2-CB 3.57Å; Y61-Q90 HydrophobicContact CG-CB 3.65Å; Y61-Q90 HydrophobicContact CG-CG 4.05Å; S68-Q90 VanDerWaalsContact OG-CG 3.26Å; S68-Q90 WeakPolarHBondContact OG-CG 3.34Å; D86-Q90 WeakPolarHBondContact O-CG 3.28Å; D86-Q90 PolarHBondContact O-N 3.28Å; D86-Q90 PolarHBondContact OD1-NE2 2.8Å; Q90-R93 PolarHBondContact O-N 2.86Å; Q90-E94 VanDerWaalsContact O-CB 3.31Å; Q90-E94 WeakPolarHBondContact O-CB 3.38Å; Q90-E94 PolarHBondContact O-N 2.75Å
91K98.8Very high98.2Very high47 Ų4758 Ų5820%0.20428%0.284CS..Hα-helixtrans-62.2-46.4173.1-72167.9-171.2170.20112.1Y61 R66 S87 Q88 L89 R93 E94 D95Y61-K91 HydrophobicContact CE2-CG 4.32Å; Y61-K91 VanDerWaalsContact OH-CG 3.23Å; Y61-K91 WeakPolarHBondContact OH-CG 3.25Å; R66-K91 VanDerWaalsContact O-CE 3.25Å; R66-K91 WeakPolarHBondContact O-CE 3.05Å; S87-K91 VanDerWaalsContact O-CG 3.26Å; S87-K91 WeakPolarHBondContact O-CG 3.35Å; S87-K91 PolarHBondContact O-N 3.43Å; Q88-K91 PolarHBondContact O-N 3.35Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.17Å; K91-R93 VanDerWaalsContact C-N 3.27Å; K91-R93 PolarHBondContact O-N 3.15Å; K91-E94 WeakPolarHBondContact O-CB 3.47Å; K91-E94 PolarHBondContact O-N 3.17Å; K91-D95 VanDerWaalsContact O-CG 3.3Å; K91-D95 PolarHBondContact O-N 3.15Å
92A98.2Very high98.2Very high50 Ų5059.8 Ų59.841%0.41329%0.294SS..Hα-helixtrans-62.5-37.4177.400000111.8Q88 L89 I96Q88-A92 PolarHBondContact O-N 3.36Å; Q88-A92 VanDerWaalsContact O-N 3.12Å; L89-A92 PolarHBondContact O-N 3.2Å; A92-I96 WeakPolarHBondContact O-CG1 3.36Å; A92-I96 PolarHBondContact O-N 3.38Å
93R98.3Very high98.2Very high62 Ų6258 Ų5823%0.23429%0.285CS..Hα-helixtrans-71.7-38175.9-71.7-176.8177.6174.21.2112.9Y34 L89 Q90 K91 F97Y34-R93 HydrophobicContact CE2-CB 3.99Å; Y34-R93 WeakPolarHBondContact OH-CD 3.48Å; Y34-R93 PolarHBondContact OH-NH1 2.81Å; L89-R93 WeakPolarHBondContact O-CG 3.37Å; L89-R93 PolarHBondContact O-N 2.9Å; Q90-R93 PolarHBondContact O-N 2.86Å; K91-R93 VanDerWaalsContact C-N 3.27Å; K91-R93 PolarHBondContact O-N 3.15Å; R93-F97 WeakPolarHBondContact O-CB 3.46Å; R93-F97 PolarHBondContact O-N 2.86Å
94E98.7Very high98.3Very high22 Ų2255.8 Ų55.810%0.10328%0.276CS..Hα-helixtrans-56.4-50.5173.1172.5-176.617200110.5F47 Y61 S63 Q90 K91 I96 F97 M98F47-E94 HydrophobicContact CB-CG 3.89Å; F47-E94 HydrophobicContact CD1-CB 3.75Å; F47-E94 HydrophobicContact CD1-CG 3.72Å; F47-E94 HydrophobicContact CD2-CG 4.44Å; F47-E94 HydrophobicContact CE1-CB 3.85Å; F47-E94 HydrophobicContact CE1-CG 4.34Å; F47-E94 HydrophobicContact CG-CB 4.14Å; F47-E94 HydrophobicContact CG-CG 3.77Å; F47-E94 HydrophobicContact CZ-CB 4.33Å; Y61-E94 HydrophobicContact CE1-CB 4.42Å; Y61-E94 VanDerWaalsContact CE1-OE2 3.24Å; Y61-E94 WeakPolarHBondContact CE1-OE2 3.19Å; Y61-E94 VanDerWaalsContact CZ-OE2 3.28Å; Y61-E94 PolarHBondContact OH-OE2 3.22Å; S63-E94 WeakPolarHBondContact CB-OE1 3.33Å; Q90-E94 VanDerWaalsContact O-CB 3.31Å; Q90-E94 WeakPolarHBondContact O-CB 3.38Å; Q90-E94 PolarHBondContact O-N 2.75Å; K91-E94 WeakPolarHBondContact O-CB 3.47Å; K91-E94 PolarHBondContact O-N 3.17Å; E94-I96 PolarHBondContact O-N 3.02Å; E94-F97 PolarHBondContact O-N 2.9Å; E94-M98 HydrophobicContact CG-CG 4.29Å; E94-M98 WeakPolarHBondContact O-CB 3.47Å; E94-M98 VanDerWaalsContact O-CG 3.31Å; E94-M98 WeakPolarHBondContact O-CG 3.36Å; E94-M98 PolarHBondContact O-N 3.29Å
95D98.3Very high98.3Very high93 Ų9348 Ų4850%0.49724%0.244SC..Hα-helixtrans-58.4-48.9-177.6-64.6-24.3000111.1K91 F97 M98 E99K91-D95 VanDerWaalsContact O-CG 3.3Å; K91-D95 PolarHBondContact O-N 3.15Å; D95-F97 PolarHBondContact O-N 3.16Å; D95-M98 PolarHBondContact O-N 3.24Å; D95-E99 WeakPolarHBondContact O-CB 3.24Å; D95-E99 PolarHBondContact O-N 3.08Å
96I98.1Very high98.3Very high98 Ų9847.5 Ų47.550%0.50324%0.241SC..Hα-helixtrans-64.1-41178.2-63.9166.8000111.6A92 E94 T100A92-I96 WeakPolarHBondContact O-CG1 3.36Å; A92-I96 PolarHBondContact O-N 3.38Å; E94-I96 PolarHBondContact O-N 3.02Å; I96-T100 PolarHBondContact O-N 3.4Å; I96-T100 PolarHBondContact O-OG1 3.24Å
97F98.7Very high98.3Very high7 Ų751.3 Ų51.33%0.03126%0.255CS..Hα-helixtrans-66-43.8-178.9-170.4-80.9000111.4Y34 F47 R93 E94 D95 T100 L101 L117 Y137Y34-F97 HydrophobicContact CD2-CD2 4.01Å; Y34-F97 HydrophobicContact CD2-CE2 4.37Å; F47-F97 HydrophobicContact CD2-CB 4.37Å; F47-F97 AromaticContact CD2-CD1 3.77Å; F47-F97 HydrophobicContact CD2-CD1 3.77Å; F47-F97 HydrophobicContact CD2-CE1 4.34Å; F47-F97 HydrophobicContact CD2-CG 4.17Å; F47-F97 HydrophobicContact CE2-CB 3.83Å; F47-F97 AromaticContact CE2-CD1 3.68Å; F47-F97 HydrophobicContact CE2-CD1 3.68Å; F47-F97 HydrophobicContact CE2-CD2 4.19Å; F47-F97 HydrophobicContact CE2-CE1 4.27Å; F47-F97 AromaticContact CE2-CG 3.63Å; F47-F97 HydrophobicContact CE2-CG 3.63Å; R93-F97 WeakPolarHBondContact O-CB 3.46Å; R93-F97 PolarHBondContact O-N 2.86Å; E94-F97 PolarHBondContact O-N 2.9Å; D95-F97 PolarHBondContact O-N 3.16Å; F97-T100 WeakPolarHBondContact O-CB 3.36Å; F97-T100 PolarHBondContact O-N 2.64Å; F97-L101 PolarHBondContact O-N 3.17Å; F97-L117 HydrophobicContact CD1-CD2 4.17Å; F97-L117 HydrophobicContact CE1-CB 3.82Å; F97-L117 HydrophobicContact CE1-CD2 3.79Å; F97-L117 HydrophobicContact CE1-CG 3.87Å; F97-L117 WeakPolarHBondContact CE1-O 3.02Å; F97-L117 HydrophobicContact CE2-CD2 4.2Å; F97-L117 HydrophobicContact CE2-CG 4.31Å; F97-L117 HydrophobicContact CZ-CB 3.99Å; F97-L117 HydrophobicContact CZ-CD2 3.83Å; F97-L117 HydrophobicContact CZ-CG 3.65Å; F97-L117 VanDerWaalsContact CZ-O 3.28Å; F97-L117 WeakPolarHBondContact CZ-O 3.37Å; F97-Y137 AromaticContact CD2-CE1 3.82Å; F97-Y137 HydrophobicContact CD2-CE1 3.82Å; F97-Y137 AromaticContact CE2-CD1 3.93Å; F97-Y137 HydrophobicContact CE2-CD1 3.93Å; F97-Y137 AromaticContact CE2-CE1 3.56Å; F97-Y137 HydrophobicContact CE2-CE1 3.56Å
98M98.4Very high98.3Very high25 Ų2555.1 Ų55.112%0.12327%0.268CS..Hα-helixtrans-73-34.7179.9-65.9-54.9-61.900112L37 Q46 F47 E94 D95 T100 L101 N102L37-M98 WeakPolarHBondContact O-CE 3.44Å; Q46-M98 HydrophobicContact CB-CE 4.3Å; F47-M98 HydrophobicContact CB-CG 4.33Å; F47-M98 HydrophobicContact CB-SD 4.06Å; F47-M98 HydrophobicContact CD2-CG 4.48Å; F47-M98 HydrophobicContact CD2-SD 4.19Å; E94-M98 HydrophobicContact CG-CG 4.29Å; E94-M98 WeakPolarHBondContact O-CB 3.47Å; E94-M98 VanDerWaalsContact O-CG 3.31Å; E94-M98 WeakPolarHBondContact O-CG 3.36Å; E94-M98 PolarHBondContact O-N 3.29Å; D95-M98 PolarHBondContact O-N 3.24Å; M98-T100 VanDerWaalsContact C-N 3.33Å; M98-L101 HydrophobicContact CE-CD2 4Å; M98-L101 PolarHBondContact O-N 2.92Å; M98-L101 HydrophobicContact SD-CD2 4.39Å; M98-N102 VanDerWaalsContact O-CG 3.25Å; M98-N102 PolarHBondContact O-N 3.24Å; M98-N102 PolarHBondContact O-ND2 3.16Å
99E98.4Very high98.2Very high114 Ų11456.5 Ų56.553%0.53328%0.28SS..Hα-helixtrans-58.8-45.8169.5-175.7-179-178.800111D95 L101 N102 D103D95-E99 WeakPolarHBondContact O-CB 3.24Å; D95-E99 PolarHBondContact O-N 3.08Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.06Å; E99-N102 PolarHBondContact O-N 2.94Å; E99-N102 VanDerWaalsContact O-N 3.14Å; E99-D103 PolarHBondContact O-N 3.3Å
100T98.6Very high98.1Very high7 Ų756.2 Ų56.24%0.04328%0.278CS..Hα-helixtrans-60-42.9176.6-54.70000111.5I96 F97 M98 D103 I104 L117 T164 W168I96-T100 PolarHBondContact O-N 3.4Å; I96-T100 PolarHBondContact O-OG1 3.24Å; F97-T100 WeakPolarHBondContact O-CB 3.36Å; F97-T100 PolarHBondContact O-N 2.64Å; M98-T100 VanDerWaalsContact C-N 3.33Å; T100-D103 PolarHBondContact O-N 3Å; T100-I104 HydrophobicContact CG2-CD1 4.17Å; T100-I104 WeakPolarHBondContact O-CD1 3.25Å; T100-I104 VanDerWaalsContact O-CG1 3.22Å; T100-I104 WeakPolarHBondContact O-CG1 3.14Å; T100-I104 PolarHBondContact O-N 3.11Å; T100-L117 HydrophobicContact CG2-CD2 4.07Å; T100-T164 HydrophobicContact CG2-CG2 4.11Å; T100-W168 HydrophobicContact CG2-CH2 4.44Å; T100-W168 HydrophobicContact CG2-CZ2 3.84Å
101L98.6Very high97.8Very high0 Ų060.5 Ų60.50%031%0.308CS..Hα-helixtrans-62.3-42.4175.7173.656.4000111.7F97 M98 E99 I104 V105 H115 L117 Y139F97-L101 PolarHBondContact O-N 3.17Å; M98-L101 HydrophobicContact CE-CD2 4Å; M98-L101 PolarHBondContact O-N 2.92Å; M98-L101 HydrophobicContact SD-CD2 4.39Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.06Å; L101-I104 PolarHBondContact O-N 3.18Å; L101-V105 HydrophobicContact CD1-CG2 4.03Å; L101-V105 WeakPolarHBondContact O-CG2 3.28Å; L101-V105 PolarHBondContact O-N 2.88Å; L101-H115 HydrophobicContact CD1-CB 4.41Å; L101-L117 HydrophobicContact CB-CB 4.09Å; L101-L117 HydrophobicContact CB-CD2 4.16Å; L101-L117 HydrophobicContact CD1-CB 3.89Å; L101-L117 HydrophobicContact CD2-CB 4.34Å; L101-L117 HydrophobicContact CG-CB 4.32Å; L101-Y139 HydrophobicContact CD1-CD2 4.31Å; L101-Y139 HydrophobicContact CD1-CE2 4.03Å
102N97.9Very high97.4Very high79 Ų7965.5 Ų65.542%0.42234%0.337SS..Hα-helixtrans-62.8-44.8178-68.8-22.1000111.8M98 E99 I104 V105 E106M98-N102 VanDerWaalsContact O-CG 3.25Å; M98-N102 PolarHBondContact O-N 3.24Å; M98-N102 PolarHBondContact O-ND2 3.16Å; E99-N102 PolarHBondContact O-N 2.94Å; E99-N102 VanDerWaalsContact O-N 3.14Å; N102-I104 PolarHBondContact O-N 3.05Å; N102-V105 PolarHBondContact O-N 2.81Å; N102-E106 WeakPolarHBondContact O-CB 3.33Å; N102-E106 WeakPolarHBondContact O-CG 3.45Å; N102-E106 PolarHBondContact O-N 2.85Å
103D98.3Very high97Very high44 Ų4463.8 Ų63.824%0.23533%0.325CS..Hα-helixtrans-55.5-40.4175.5-75.3-43.4000112.3E99 T100 Y107 K167E99-D103 PolarHBondContact O-N 3.3Å; T100-D103 PolarHBondContact O-N 3Å; D103-Y107 WeakPolarHBondContact O-CB 3.3Å; D103-Y107 PolarHBondContact O-N 2.98Å; D103-K167 IonicContact OD1-NZ 3.08Å; D103-K167 PolarHBondContact OD1-NZ 3.15Å; D103-K167 IonicContact OD2-NZ 2.8Å; D103-K167 PolarHBondContact OD2-NZ 2.91Å
104I98.4Very high96.9Very high1 Ų164.6 Ų64.61%0.00534%0.34CS..Hα-helixtrans-68.3-46.2179.4-61.8161.2000110.6T100 L101 N102 E106 Y107 Y108 L117 Y139 Y144 A160T100-I104 HydrophobicContact CG2-CD1 4.17Å; T100-I104 WeakPolarHBondContact O-CD1 3.25Å; T100-I104 VanDerWaalsContact O-CG1 3.22Å; T100-I104 WeakPolarHBondContact O-CG1 3.14Å; T100-I104 PolarHBondContact O-N 3.11Å; L101-I104 PolarHBondContact O-N 3.18Å; N102-I104 PolarHBondContact O-N 3.05Å; I104-E106 VanDerWaalsContact C-N 3.29Å; I104-E106 PolarHBondContact O-N 2.73Å; I104-Y107 WeakPolarHBondContact O-CB 3.4Å; I104-Y107 PolarHBondContact O-N 3.45Å; I104-Y108 HydrophobicContact CG2-CD2 4.08Å; I104-Y108 HydrophobicContact CG2-CE2 4.07Å; I104-Y108 WeakPolarHBondContact O-CD2 3.24Å; I104-Y108 PolarHBondContact O-N 2.66Å; I104-L117 HydrophobicContact CD1-CD1 3.95Å; I104-L117 HydrophobicContact CD1-CD2 4.4Å; I104-Y139 HydrophobicContact CB-CD2 4.47Å; I104-Y139 HydrophobicContact CB-CE2 4.29Å; I104-Y139 HydrophobicContact CD1-CD2 4.44Å; I104-Y139 HydrophobicContact CG2-CD1 3.8Å; I104-Y139 HydrophobicContact CG2-CD2 3.72Å; I104-Y139 HydrophobicContact CG2-CE1 3.63Å; I104-Y139 HydrophobicContact CG2-CE2 3.55Å; I104-Y139 HydrophobicContact CG2-CG 3.84Å; I104-Y144 HydrophobicContact CD1-CD1 4.25Å; I104-Y144 HydrophobicContact CD1-CD2 4.33Å; I104-Y144 HydrophobicContact CD1-CE1 3.65Å; I104-Y144 HydrophobicContact CD1-CE2 3.72Å; I104-Y144 HydrophobicContact CG1-CE1 4.28Å; I104-Y144 HydrophobicContact CG1-CE2 3.82Å; I104-Y144 WeakPolarHBondContact CG1-OH 3.14Å; I104-Y144 HydrophobicContact CG2-CE2 4.25Å; I104-A160 HydrophobicContact CG2-CB 4.3Å
105V98Very high96.8Very high9 Ų964.1 Ų64.16%0.05534%0.338CS..Hα-helixtrans-62.1-39.9178.9172.30000111L101 N102 Y108 N109 D110 H115L101-V105 HydrophobicContact CD1-CG2 4.03Å; L101-V105 WeakPolarHBondContact O-CG2 3.28Å; L101-V105 PolarHBondContact O-N 2.88Å; N102-V105 PolarHBondContact O-N 2.81Å; V105-Y108 PolarHBondContact O-N 3.44Å; V105-N109 PolarHBondContact O-N 2.96Å; V105-N109 VanDerWaalsContact O-N 3.13Å; V105-D110 PolarHBondContact O-N 2.85Å; V105-H115 HydrophobicContact CG2-CB 3.98Å
106E97.8Very high96.8Very high122 Ų12262.4 Ų62.457%0.5733%0.328SS*.Hα-helixtrans-65.1-42.4175-74.7-178.4-175.300112.2N102 I104 Y108 N109N102-E106 WeakPolarHBondContact O-CB 3.33Å; N102-E106 WeakPolarHBondContact O-CG 3.45Å; N102-E106 PolarHBondContact O-N 2.85Å; I104-E106 VanDerWaalsContact C-N 3.29Å; I104-E106 PolarHBondContact O-N 2.73Å; E106-Y108 PolarHBondContact O-N 3.15Å; E106-N109 PolarHBondContact O-N 2.84Å; E106-N109 PolarHBondContact O-OD1 3.48Å
107Y98.1Very high96.8Very high97 Ų9757.7 Ų57.738%0.3830%0.304SS..Hα-helixtrans-55.3-41.5176.4177.6-88.4000112.2D103 I104 N109 P159 A160 N163D103-Y107 WeakPolarHBondContact O-CB 3.3Å; D103-Y107 PolarHBondContact O-N 2.98Å; I104-Y107 WeakPolarHBondContact O-CB 3.4Å; I104-Y107 PolarHBondContact O-N 3.45Å; Y107-N109 VanDerWaalsContact C-N 3.32Å; Y107-P159 HydrophobicContact CE1-CB 4.41Å; Y107-A160 HydrophobicContact CD1-CB 3.36Å; Y107-A160 HydrophobicContact CD2-CB 4.32Å; Y107-A160 HydrophobicContact CE1-CB 3.73Å; Y107-A160 HydrophobicContact CG-CB 3.68Å; Y107-N163 WeakPolarHBondContact CD2-ND2 3.38Å
108Y98Very high96.8Very high89 Ų8959.9 Ų59.935%0.34931%0.314SS..THydrogen-bonded Turntrans-83.3-5177.4-72.7-66.9000114.3I104 V105 E106 D110 Y139 D158 A160I104-Y108 HydrophobicContact CG2-CD2 4.08Å; I104-Y108 HydrophobicContact CG2-CE2 4.07Å; I104-Y108 WeakPolarHBondContact O-CD2 3.24Å; I104-Y108 PolarHBondContact O-N 2.66Å; V105-Y108 PolarHBondContact O-N 3.44Å; E106-Y108 PolarHBondContact O-N 3.15Å; Y108-D110 PolarHBondContact O-N 2.87Å; Y108-Y139 AromaticContact CD2-CE1 3.93Å; Y108-Y139 HydrophobicContact CD2-CE1 3.93Å; Y108-Y139 HydrophobicContact CE2-CD1 4.43Å; Y108-Y139 AromaticContact CE2-CE1 3.9Å; Y108-Y139 HydrophobicContact CE2-CE1 3.9Å; Y108-D158 VanDerWaalsContact OH-CG 3.28Å; Y108-D158 PolarHBondContact OH-OD1 2.88Å; Y108-D158 PolarHBondContact OH-OD2 2.95Å; Y108-A160 HydrophobicContact CD2-CB 4.49Å; Y108-A160 HydrophobicContact CE2-CB 3.69Å
109N97.1Very high96.8Very high144 Ų14458.7 Ų58.777%0.7731%0.309SS*.THydrogen-bonded Turntrans53.535.4-174.8-57.9-77.3000113.3V105 E106 Y107V105-N109 PolarHBondContact O-N 2.96Å; V105-N109 VanDerWaalsContact O-N 3.13Å; E106-N109 PolarHBondContact O-N 2.84Å; E106-N109 PolarHBondContact O-OD1 3.48Å; Y107-N109 VanDerWaalsContact C-N 3.32Å
110D95.1Very high96.8Very high70 Ų7057.4 Ų57.437%0.37430%0.299SS..  trans-114.946-177.5-16514.2000112.9V105 Y108 N112 G113 H115V105-D110 PolarHBondContact O-N 2.85Å; Y108-D110 PolarHBondContact O-N 2.87Å; D110-N112 PolarHBondContact O-N 2.89Å; D110-G113 PolarHBondContact O-N 2.9Å; D110-G113 PolarHBondContact OD1-N 3Å; D110-H115 PolarHBondContact O-NE2 2.82Å; D110-H115 VanDerWaalsContact O-NE2 3.13Å; D110-H115 IonicContact OD2-CE1 2.66Å; D110-H115 PolarHBondContact OD2-CE1 3.01Å; D110-H115 IonicContact OD2-NE2 3.17Å; D110-H115 PolarHBondContact OD2-NE2 3.33Å
111S91.6Very high96.8Very high90 Ų9057.3 Ų57.363%0.62930%0.298SS*.THydrogen-bonded Turntrans-62.6-16.4-179.9-46.30000114.3
112N90.3Very high96.8Very high152 Ų15257.3 Ų57.381%0.81330%0.298SS*.THydrogen-bonded Turntrans-86.1-19.6176.3-69.7-32000112.7D110D110-N112 PolarHBondContact O-N 2.89Å
113G91.2Very high96.8Very high15 Ų1553.5 Ų53.516%0.15528%0.278CS..SBendtrans-68.4165.5175.700000113.3D110D110-G113 PolarHBondContact O-N 2.9Å; D110-G113 PolarHBondContact OD1-N 3Å
114S94.7Very high96.8Very high78 Ų7853.2 Ų53.255%0.54528%0.275SS..  trans-108.9107.3173.3-178.50000108.3
115H97.7Very high96.8Very high13 Ų1353.3 Ų53.36%0.0628%0.275CS..  trans-116.9157.1-175.8-56.4-76.2000111.2S38 L101 V105 D110 Y139 D140S38-H115 PolarHBondContact N-O 3.04Å; S38-H115 PolarHBondContact OG-N 2.94Å; S38-H115 PolarHBondContact OG-O 3.06Å; L101-H115 HydrophobicContact CD1-CB 4.41Å; V105-H115 HydrophobicContact CG2-CB 3.98Å; D110-H115 PolarHBondContact O-NE2 2.82Å; D110-H115 VanDerWaalsContact O-NE2 3.13Å; D110-H115 IonicContact OD2-CE1 2.66Å; D110-H115 PolarHBondContact OD2-CE1 3.01Å; D110-H115 IonicContact OD2-NE2 3.17Å; D110-H115 PolarHBondContact OD2-NE2 3.33Å; H115-Y139 HydrophobicContact CB-CE2 3.73Å; H115-Y139 PolarHBondContact CE1-OH 2.74Å; H115-Y139 AromaticContact CG-CZ 4Å; H115-Y139 VanDerWaalsContact CG-OH 3.26Å; H115-Y139 AromaticContact ND1-CZ 3.77Å; H115-Y139 PolarHBondContact ND1-OH 2.6Å; H115-D140 VanDerWaalsContact CA-OD1 3.23Å; H115-D140 WeakPolarHBondContact CA-OD1 3.41Å; H115-D140 IonicContact CE1-OD2 3.88Å; H115-D140 IonicContact CG-OD2 3.76Å; H115-D140 IonicContact ND1-OD1 3.22Å; H115-D140 IonicContact ND1-OD2 3.72Å; H115-D140 PolarHBondContact ND1-OD2 3.33Å
116N97.3Very high96.6Very high56 Ų5657.4 Ų57.430%0.29929%0.294SS..EExtended strand (participates in β ladder)trans-131.5144.8172.265.188.8000112.1G36 L37 Y139 D140G36-N116 WeakPolarHBondContact O-CA 3.41Å; L37-N116 HydrophobicContact CD2-CB 3.8Å; N116-Y139 WeakPolarHBondContact O-CA 3.45Å; N116-Y139 WeakPolarHBondContact O-CD2 3.45Å; N116-D140 PolarHBondContact N-OD1 2.88Å; N116-D140 PolarHBondContact ND2-OD1 3.01Å; N116-D140 PolarHBondContact O-N 3.4Å
117L98.7Very high96.3Very high0 Ų054.5 Ų54.50%028%0.282CS..EExtended strand (participates in β ladder)trans-114.4132.2166.5-177.468.9000107.6T35 G36 F97 T100 L101 I104 Y137 Y138 Y144T35-L117 WeakPolarHBondContact CA-O 3.49Å; G36-L117 PolarHBondContact N-O 2.66Å; G36-L117 PolarHBondContact O-N 3.03Å; F97-L117 HydrophobicContact CD1-CD2 4.17Å; F97-L117 HydrophobicContact CE1-CB 3.82Å; F97-L117 HydrophobicContact CE1-CD2 3.79Å; F97-L117 HydrophobicContact CE1-CG 3.87Å; F97-L117 WeakPolarHBondContact CE1-O 3.02Å; F97-L117 HydrophobicContact CE2-CD2 4.2Å; F97-L117 HydrophobicContact CE2-CG 4.31Å; F97-L117 HydrophobicContact CZ-CB 3.99Å; F97-L117 HydrophobicContact CZ-CD2 3.83Å; F97-L117 HydrophobicContact CZ-CG 3.65Å; F97-L117 VanDerWaalsContact CZ-O 3.28Å; F97-L117 WeakPolarHBondContact CZ-O 3.37Å; T100-L117 HydrophobicContact CG2-CD2 4.07Å; L101-L117 HydrophobicContact CB-CB 4.09Å; L101-L117 HydrophobicContact CB-CD2 4.16Å; L101-L117 HydrophobicContact CD1-CB 3.89Å; L101-L117 HydrophobicContact CD2-CB 4.34Å; L101-L117 HydrophobicContact CG-CB 4.32Å; I104-L117 HydrophobicContact CD1-CD1 3.95Å; I104-L117 HydrophobicContact CD1-CD2 4.4Å; L117-Y137 HydrophobicContact CD1-CD1 4.23Å; L117-Y137 HydrophobicContact CD2-CD1 4.22Å; L117-Y137 HydrophobicContact CG-CD1 4.21Å; L117-Y138 CarbonylContact C-O 3.53Å; L117-Y138 WeakPolarHBondContact CA-O 3.31Å; L117-Y144 HydrophobicContact CD1-CD1 4.41Å
118H98.1Very high95.7Very high52 Ų5253.9 Ų53.924%0.24129%0.285CS..EExtended strand (participates in β ladder)trans-120.7125.2176-172.185000109.2I33 Y34 T35 Y137 Y138I33-H118 WeakPolarHBondContact CG2-CE1 3.13Å; Y34-H118 CarbonylContact O-C 3.54Å; Y34-H118 VanDerWaalsContact O-CA 3.3Å; Y34-H118 WeakPolarHBondContact O-CA 3.18Å; T35-H118 PolarHBondContact OG1-ND1 3.26Å; T35-H118 VanDerWaalsContact OG1-ND1 3.12Å; H118-Y137 CarbonylContact O-C 3.58Å; H118-Y137 WeakPolarHBondContact O-CA 3.26Å; H118-Y138 HydrophobicContact CB-CD2 4.46Å; H118-Y138 AromaticContact CD2-CD2 3.89Å; H118-Y138 PolarHBondContact N-O 2.99Å; H118-Y138 PolarHBondContact O-N 2.79Å
119G98.6Very high95.4Very high0 Ų059.2 Ų59.20%031%0.305CS..EExtended strand (participates in β ladder)trans-113.4130175.500000110.6I33 Y34 K136I33-G119 CarbonylContact C-O 3.52Å; I33-G119 WeakPolarHBondContact CA-O 3.47Å; Y34-G119 PolarHBondContact N-O 3.19Å; Y34-G119 PolarHBondContact O-N 3.27Å; G119-K136 CarbonylContact C-O 3.58Å; G119-K136 WeakPolarHBondContact CA-O 3.37Å
120R98.6Very high95.2Very high88 Ų8855.4 Ų55.433%0.33229%0.29SS..EExtended strand (participates in β ladder)trans-127.3120.8177.1-178.6173.5-178.3-79.5-5.8109.6T31 Y32 I33 F134 W135 K136 Y138T31-R120 HydrophobicContact CG2-CG 4.31Å; Y32-R120 WeakPolarHBondContact O-CA 3.38Å; I33-R120 HydrophobicContact CG1-CG 4.36Å; R120-F134 HydrophobicContact CG-CD2 4.17Å; R120-F134 HydrophobicContact CG-CE2 3.62Å; R120-F134 VanDerWaalsContact CZ-CE2 3.48Å; R120-F134 VanDerWaalsContact CZ-CZ 3.47Å; R120-F134 VanDerWaalsContact NH1-CD2 3.35Å; R120-F134 VanDerWaalsContact NH1-CZ 3.31Å; R120-W135 WeakPolarHBondContact O-CA 3.37Å; R120-K136 PolarHBondContact N-O 2.66Å; R120-K136 PolarHBondContact O-N 2.91Å; R120-Y138 HydrophobicContact CB-CE2 4.44Å
121F98.7Very high95.2Very high4 Ų454.8 Ų54.82%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-146.1155.6-18059-88.1000112.1Y32 Y34 F134 W135 Y181Y32-F121 VanDerWaalsContact CB-CZ 3.44Å; Y32-F121 AromaticContact CD2-CD2 3.96Å; Y32-F121 HydrophobicContact CD2-CD2 3.96Å; Y32-F121 AromaticContact CD2-CE2 3.49Å; Y32-F121 HydrophobicContact CD2-CE2 3.49Å; Y32-F121 VanDerWaalsContact CD2-CE2 3.49Å; Y32-F121 HydrophobicContact CD2-CZ 4.23Å; Y32-F121 HydrophobicContact CE2-CE2 4.41Å; Y32-F121 HydrophobicContact CG-CD2 4.38Å; Y32-F121 AromaticContact CG-CE2 3.69Å; Y32-F121 HydrophobicContact CG-CE2 3.69Å; Y32-F121 AromaticContact CG-CZ 3.95Å; Y32-F121 HydrophobicContact CG-CZ 3.95Å; Y32-F121 PolarHBondContact N-O 2.78Å; Y32-F121 PolarHBondContact O-N 2.94Å; Y32-F121 VanDerWaalsContact O-N 3.1Å; Y34-F121 HydrophobicContact CD1-CE1 4.41Å; Y34-F121 AromaticContact CD2-CE1 3.81Å; Y34-F121 HydrophobicContact CD2-CE1 3.81Å; Y34-F121 HydrophobicContact CD2-CZ 4.28Å; Y34-F121 HydrophobicContact CE1-CE1 4.33Å; Y34-F121 HydrophobicContact CE1-CZ 4.11Å; Y34-F121 AromaticContact CE2-CE1 3.7Å; Y34-F121 HydrophobicContact CE2-CE1 3.7Å; Y34-F121 AromaticContact CE2-CZ 3.7Å; Y34-F121 HydrophobicContact CE2-CZ 3.7Å; Y34-F121 HydrophobicContact CG-CE1 4.17Å; Y34-F121 AromaticContact CZ-CZ 3.63Å; F121-F134 CarbonylContact C-O 3.57Å; F121-F134 WeakPolarHBondContact CA-O 3.42Å; F121-W135 HydrophobicContact CB-CB 3.96Å; F121-W135 HydrophobicContact CB-CD2 4.14Å; F121-W135 HydrophobicContact CB-CG 3.62Å; F121-W135 AromaticContact CD1-NE1 3.99Å; F121-W135 HydrophobicContact CG-CG 4.48Å; F121-Y181 AromaticContact CD2-CE1 3.76Å; F121-Y181 HydrophobicContact CD2-CE1 3.76Å; F121-Y181 AromaticContact CD2-CZ 3.93Å; F121-Y181 WeakPolarHBondContact CD2-OH 3.04Å; F121-Y181 HydrophobicContact CE2-CE1 4.26Å; F121-Y181 VanDerWaalsContact CE2-OH 3.24Å; F121-Y181 WeakPolarHBondContact CE2-OH 3.33Å
122G98.6Very high95.4Very high0 Ų051.8 Ų51.80%027%0.274CS..EExtended strand (participates in β ladder)trans168.3-177.8-17400000114.1L30 S133 F134L30-G122 CarbonylContact O-C 3.56Å; L30-G122 WeakPolarHBondContact O-CA 3.41Å; G122-S133 CarbonylContact O-C 3.59Å; G122-S133 VanDerWaalsContact O-CA 3.24Å; G122-S133 WeakPolarHBondContact O-CA 3.41Å; G122-S133 WeakPolarHBondContact O-CB 3.18Å; G122-F134 PolarHBondContact N-O 3.12Å; G122-F134 PolarHBondContact O-N 3.3Å
123C98.6Very high95.7Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-148162.5-178.858.80000111.1S29 L30 G132 C186 P187S29-C123 WeakPolarHBondContact CA-O 3.43Å; L30-C123 PolarHBondContact N-O 3.03Å; L30-C123 PolarHBondContact O-N 2.9Å; C123-G132 CarbonylContact C-O 3.49Å; C123-G132 WeakPolarHBondContact CA-O 3.07Å; C123-C186 HydrophobicContact CB-CB 3.85Å; C123-C186 WeakPolarHBondContact CB-SG 3.26Å; C123-C186 PolarHBondContact N-SG 2.95Å; C123-C186 WeakPolarHBondContact SG-CB 3.23Å; C123-C186 PolarHBondContact SG-O 3.05Å; C123-C186 VanDerWaalsContact SG-O 3.39Å; C123-C186 CovalentContact SG-SG 2.05Å; C123-C186 PolarHBondContact SG-SG 2.63Å; C123-P187 HydrophobicContact CB-CG 4.1Å
124E98.2Very high96.1Very high37 Ų3747.4 Ų47.417%0.17325%0.248CC..EExtended strand (participates in β ladder)trans-133.5146.5-179.8-55.9-173174.600110.6R27 Y28 S130 S131 G132R27-E124 IonicContact CZ-OE2 2.85Å; R27-E124 IonicContact NE-OE2 3.4Å; R27-E124 PolarHBondContact NE-OE2 2.79Å; R27-E124 VanDerWaalsContact NH2-CD 3.3Å; R27-E124 IonicContact NH2-OE1 3.78Å; R27-E124 PolarHBondContact NH2-OE1 3.28Å; R27-E124 IonicContact NH2-OE2 2.74Å; R27-E124 PolarHBondContact NH2-OE2 2.93Å; Y28-E124 CarbonylContact O-C 3.43Å; Y28-E124 VanDerWaalsContact O-CA 3.24Å; Y28-E124 WeakPolarHBondContact O-CA 3.35Å; E124-S130 WeakPolarHBondContact O-CA 3.49Å; E124-S131 WeakPolarHBondContact CB-OG 3.27Å; E124-S131 PolarHBondContact O-N 3.46Å; E124-S131 PolarHBondContact O-OG 3.35Å; E124-G132 PolarHBondContact N-O 3.24Å
125I96.8Very high96.2Very high4 Ų445.9 Ų45.92%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-125143.2168.966.8175.7000109.8R27 Y28 R129 P187 L190 R191 L194R27-I125 WeakPolarHBondContact CA-O 3.24Å; Y28-I125 HydrophobicContact CD2-CD1 4.49Å; Y28-I125 HydrophobicContact CD2-CG1 4.29Å; Y28-I125 PolarHBondContact N-O 3.33Å; Y28-I125 PolarHBondContact O-N 3.39Å; I125-R129 CarbonylContact C-O 3.47Å; I125-R129 WeakPolarHBondContact CA-O 3.44Å; I125-P187 HydrophobicContact CG2-CB 4.35Å; I125-L190 HydrophobicContact CB-CD2 4.48Å; I125-L190 HydrophobicContact CD1-CD2 4.33Å; I125-L190 HydrophobicContact CD1-CG 4.28Å; I125-L190 HydrophobicContact CG1-CD2 3.88Å; I125-L190 HydrophobicContact CG1-CG 4.36Å; I125-L190 HydrophobicContact CG2-CD2 4.17Å; I125-R191 HydrophobicContact CD1-CG 4.06Å; I125-L194 HydrophobicContact CD1-CD1 3.49Å; I125-L194 VanDerWaalsContact CD1-CD1 3.49Å; I125-L194 HydrophobicContact CG1-CD1 4.36Å
126E95.2Very high96.3Very high95 Ų9546.9 Ų46.944%0.44423%0.234SC..EExtended strand (participates in β ladder)trans-137.2132.2173.6-176.1174.3-136.100107.9N128 R129E126-N128 PolarHBondContact O-N 2.99Å; E126-R129 PolarHBondContact N-O 2.84Å; E126-R129 PolarHBondContact O-N 3.4Å; E126-R129 VanDerWaalsContact O-O 3.13Å
127N90.8Very high96.4Very high61 Ų6145 Ų4533%0.32622%0.223SC..THydrogen-bonded Turntrans50.341.3-172.2-58.1-58000112.1Q24 D25 R129Q24-N127 VanDerWaalsContact CA-OD1 3.28Å; Q24-N127 WeakPolarHBondContact CA-OD1 3.38Å; Q24-N127 WeakPolarHBondContact CB-OD1 3.42Å; Q24-N127 VanDerWaalsContact CG-OD1 3.29Å; Q24-N127 WeakPolarHBondContact CG-OD1 3.07Å; D25-N127 WeakPolarHBondContact O-CA 3.34Å; D25-N127 PolarHBondContact O-N 3.41Å; D25-N127 PolarHBondContact O-OD1 2.99Å; N127-R129 PolarHBondContact O-N 3.48Å
128N86.8Confident96.4Very high83 Ų8347.9 Ų47.944%0.44423%0.234SC..THydrogen-bonded Turntrans60.98.8-177.5-16221.6000115.9E126 R191E126-N128 PolarHBondContact O-N 2.99Å; N128-R191 PolarHBondContact O-NH2 2.55Å; N128-R191 PolarHBondContact OD1-NE 3.15Å
129R91.4Very high96.4Very high201 Ų20146.2 Ų46.276%0.75823%0.226SC*.EExtended strand (participates in β ladder)trans-106.1142.3174.9-61.5-177.1-172.2-155.32.2109.7I125 E126 N127 S131I125-R129 CarbonylContact C-O 3.47Å; I125-R129 WeakPolarHBondContact CA-O 3.44Å; E126-R129 PolarHBondContact N-O 2.84Å; E126-R129 PolarHBondContact O-N 3.4Å; E126-R129 VanDerWaalsContact O-O 3.13Å; N127-R129 PolarHBondContact O-N 3.48Å; R129-S131 PolarHBondContact O-N 3.26Å
130S92.6Very high96.4Very high64 Ų6449.1 Ų49.145%0.44824%0.241SC..EExtended strand (participates in β ladder)trans-59.8125.9174-65.20000109.7E124 P187E124-S130 WeakPolarHBondContact O-CA 3.49Å; S130-P187 WeakPolarHBondContact OG-CG 3.37Å
131S94.6Very high96.3Very high57 Ų5747.9 Ų47.940%0.39926%0.256SS..EExtended strand (participates in β ladder)trans-113.9-15.5-176.757.40000113E124 R129E124-S131 WeakPolarHBondContact CB-OG 3.27Å; E124-S131 PolarHBondContact O-N 3.46Å; E124-S131 PolarHBondContact O-OG 3.35Å; R129-S131 PolarHBondContact O-N 3.26Å
132G95.1Very high96.3Very high27 Ų2755 Ų5528%0.27829%0.287SS..EExtended strand (participates in β ladder)trans-174.5162.817800000113C123 E124C123-G132 CarbonylContact C-O 3.49Å; C123-G132 WeakPolarHBondContact CA-O 3.07Å; E124-G132 PolarHBondContact N-O 3.24Å
133S97.6Very high96.3Very high31 Ų3158.6 Ų58.622%0.21731%0.306CS..EExtended strand (participates in β ladder)trans-161.7152172.760.30000110G122 K149G122-S133 CarbonylContact O-C 3.59Å; G122-S133 VanDerWaalsContact O-CA 3.24Å; G122-S133 WeakPolarHBondContact O-CA 3.41Å; G122-S133 WeakPolarHBondContact O-CB 3.18Å; S133-K149 WeakPolarHBondContact OG-CD 3.37Å; S133-K149 WeakPolarHBondContact OG-CE 3.4Å
134F98.4Very high96.3Very high45 Ų4558.6 Ų58.620%0.19731%0.306CS..EExtended strand (participates in β ladder)trans-147.4153.6-179.854.9-91.8000110.5T31 R120 F121 G122T31-F134 HydrophobicContact CG2-CE2 4.15Å; T31-F134 HydrophobicContact CG2-CZ 3.84Å; R120-F134 HydrophobicContact CG-CD2 4.17Å; R120-F134 HydrophobicContact CG-CE2 3.62Å; R120-F134 VanDerWaalsContact CZ-CE2 3.48Å; R120-F134 VanDerWaalsContact CZ-CZ 3.47Å; R120-F134 VanDerWaalsContact NH1-CD2 3.35Å; R120-F134 VanDerWaalsContact NH1-CZ 3.31Å; F121-F134 CarbonylContact C-O 3.57Å; F121-F134 WeakPolarHBondContact CA-O 3.42Å; G122-F134 PolarHBondContact N-O 3.12Å; G122-F134 PolarHBondContact O-N 3.3Å
135W98.8Very high96.4Very high46 Ų4656.9 Ų56.917%0.17430%0.298CS..EExtended strand (participates in β ladder)trans-152112169.4-163.8-19.7000108.7R120 F121 Y137 E146 F147 W154 A178 Y181 L182R120-W135 WeakPolarHBondContact O-CA 3.37Å; F121-W135 HydrophobicContact CB-CB 3.96Å; F121-W135 HydrophobicContact CB-CD2 4.14Å; F121-W135 HydrophobicContact CB-CG 3.62Å; F121-W135 AromaticContact CD1-NE1 3.99Å; F121-W135 HydrophobicContact CG-CG 4.48Å; W135-Y137 AromaticContact CD1-CE2 3.45Å; W135-Y137 VanDerWaalsContact CD1-CE2 3.45Å; W135-Y137 AromaticContact NE1-CE2 3.17Å; W135-Y137 AromaticContact NE1-CZ 3.44Å; W135-Y137 PolarHBondContact NE1-OH 3.05Å; W135-E146 CarbonylContact O-C 3.59Å; W135-E146 WeakPolarHBondContact O-CA 3.45Å; W135-F147 HydrophobicContact CB-CB 4.07Å; W135-F147 PolarHBondContact O-N 3.24Å; W135-W154 AromaticContact CD1-CH2 3.95Å; W135-W154 AromaticContact CD2-CH2 3.84Å; W135-W154 HydrophobicContact CD2-CH2 3.84Å; W135-W154 AromaticContact CE2-CH2 3.82Å; W135-W154 HydrophobicContact CE3-CH2 4.39Å; W135-W154 AromaticContact CG-CH2 3.96Å; W135-W154 HydrophobicContact CG-CH2 3.96Å; W135-W154 HydrophobicContact CG-CZ3 4.41Å; W135-W154 HydrophobicContact CZ2-CH2 4.36Å; W135-W154 AromaticContact NE1-CH2 3.89Å; W135-A178 HydrophobicContact CZ3-CB 4.06Å; W135-Y181 AromaticContact CE3-CD1 3.98Å; W135-Y181 HydrophobicContact CE3-CD1 3.98Å; W135-Y181 HydrophobicContact CH2-CD1 4.32Å; W135-Y181 AromaticContact CZ3-CD1 3.64Å; W135-Y181 HydrophobicContact CZ3-CD1 3.64Å; W135-Y181 HydrophobicContact CZ3-CE1 4.38Å; W135-Y181 HydrophobicContact CZ3-CG 4.25Å; W135-L182 HydrophobicContact CB-CD1 4.19Å; W135-L182 HydrophobicContact CB-CD2 4.35Å; W135-L182 HydrophobicContact CE3-CD1 4.41Å; W135-L182 HydrophobicContact CE3-CD2 4.22Å; W135-L182 HydrophobicContact CE3-CG 4.23Å
136K98.8Very high96.4Very high33 Ų3359.9 Ų59.914%0.14331%0.312CS..EExtended strand (participates in β ladder)trans-142.5146.4-172.9-174.8158.7-174.6159.10111.3G119 R120 Y138 D143 I145 E146G119-K136 CarbonylContact C-O 3.58Å; G119-K136 WeakPolarHBondContact CA-O 3.37Å; R120-K136 PolarHBondContact N-O 2.66Å; R120-K136 PolarHBondContact O-N 2.91Å; K136-Y138 HydrophobicContact CB-CE2 4.27Å; K136-Y138 HydrophobicContact CD-CE1 4.22Å; K136-Y138 HydrophobicContact CD-CE2 4.33Å; K136-Y138 WeakPolarHBondContact CD-OH 3.39Å; K136-Y138 HydrophobicContact CG-CD2 4.49Å; K136-Y138 HydrophobicContact CG-CE1 4.39Å; K136-Y138 HydrophobicContact CG-CE2 3.84Å; K136-D143 WeakPolarHBondContact CE-OD1 3.35Å; K136-D143 WeakPolarHBondContact CE-OD2 3.33Å; K136-D143 IonicContact NZ-OD1 3.15Å; K136-D143 PolarHBondContact NZ-OD1 2.88Å; K136-D143 IonicContact NZ-OD2 2.94Å; K136-D143 PolarHBondContact NZ-OD2 3.49Å; K136-I145 CarbonylContact C-O 3.55Å; K136-I145 WeakPolarHBondContact CA-O 3.02Å; K136-E146 HydrophobicContact CB-CB 4.07Å; K136-E146 HydrophobicContact CD-CB 4.06Å; K136-E146 WeakPolarHBondContact CD-OE2 3.48Å; K136-E146 WeakPolarHBondContact CE-OE2 3.09Å; K136-E146 HydrophobicContact CG-CB 3.91Å; K136-E146 IonicContact NZ-OE2 3.17Å; K136-E146 PolarHBondContact NZ-OE2 3.3Å
137Y98.9Very high96.6Very high18 Ų1856 Ų567%0.07129%0.293CS..EExtended strand (participates in β ladder)trans-121.1151.8173.1-63.6-105.8000110.9F97 L117 H118 W135 Y144 I145 W154 W168F97-Y137 AromaticContact CD2-CE1 3.82Å; F97-Y137 HydrophobicContact CD2-CE1 3.82Å; F97-Y137 AromaticContact CE2-CD1 3.93Å; F97-Y137 HydrophobicContact CE2-CD1 3.93Å; F97-Y137 AromaticContact CE2-CE1 3.56Å; F97-Y137 HydrophobicContact CE2-CE1 3.56Å; L117-Y137 HydrophobicContact CD1-CD1 4.23Å; L117-Y137 HydrophobicContact CD2-CD1 4.22Å; L117-Y137 HydrophobicContact CG-CD1 4.21Å; H118-Y137 CarbonylContact O-C 3.58Å; H118-Y137 WeakPolarHBondContact O-CA 3.26Å; W135-Y137 AromaticContact CD1-CE2 3.45Å; W135-Y137 VanDerWaalsContact CD1-CE2 3.45Å; W135-Y137 AromaticContact NE1-CE2 3.17Å; W135-Y137 AromaticContact NE1-CZ 3.44Å; W135-Y137 PolarHBondContact NE1-OH 3.05Å; Y137-Y144 WeakPolarHBondContact O-CB 3.5Å; Y137-Y144 PolarHBondContact O-N 3.42Å; Y137-I145 HydrophobicContact CD2-CG2 3.82Å; Y137-I145 HydrophobicContact CG-CG2 4.25Å; Y137-I145 PolarHBondContact N-O 3.21Å; Y137-I145 PolarHBondContact O-N 3.37Å; Y137-W154 HydrophobicContact CD2-CZ3 4.17Å; Y137-W154 AromaticContact CE2-CH2 3.93Å; Y137-W154 HydrophobicContact CE2-CH2 3.93Å; Y137-W154 AromaticContact CE2-CZ3 3.95Å; Y137-W154 HydrophobicContact CE2-CZ3 3.95Å; Y137-W168 AromaticContact CD2-CH2 3.99Å; Y137-W168 HydrophobicContact CD2-CH2 3.99Å; Y137-W168 HydrophobicContact CD2-CZ3 4.05Å; Y137-W168 HydrophobicContact CE1-CH2 4.08Å; Y137-W168 AromaticContact CE2-CH2 3.52Å; Y137-W168 HydrophobicContact CE2-CH2 3.52Å; Y137-W168 AromaticContact CE2-CZ3 3.65Å; Y137-W168 HydrophobicContact CE2-CZ3 3.65Å; Y137-W168 HydrophobicContact CG-CH2 4.48Å; Y137-W168 AromaticContact CZ-CH2 3.58Å
138Y98.9Very high97Very high60 Ų6055.7 Ų55.724%0.23529%0.292CS..EExtended strand (participates in β ladder)trans-132.2132.2178.9-50.7-101.3000109L117 H118 R120 K136 K142 D143L117-Y138 CarbonylContact C-O 3.53Å; L117-Y138 WeakPolarHBondContact CA-O 3.31Å; H118-Y138 HydrophobicContact CB-CD2 4.46Å; H118-Y138 AromaticContact CD2-CD2 3.89Å; H118-Y138 PolarHBondContact N-O 2.99Å; H118-Y138 PolarHBondContact O-N 2.79Å; R120-Y138 HydrophobicContact CB-CE2 4.44Å; K136-Y138 HydrophobicContact CB-CE2 4.27Å; K136-Y138 HydrophobicContact CD-CE1 4.22Å; K136-Y138 HydrophobicContact CD-CE2 4.33Å; K136-Y138 WeakPolarHBondContact CD-OH 3.39Å; K136-Y138 HydrophobicContact CG-CD2 4.49Å; K136-Y138 HydrophobicContact CG-CE1 4.39Å; K136-Y138 HydrophobicContact CG-CE2 3.84Å; Y138-K142 CarbonylContact C-O 3.59Å; Y138-K142 WeakPolarHBondContact CA-O 3.25Å; Y138-K142 WeakPolarHBondContact CB-O 3.26Å; Y138-D143 WeakPolarHBondContact CD1-OD1 3.23Å; Y138-D143 WeakPolarHBondContact CE1-OD1 3.38Å
139Y98.7Very high97.4Very high16 Ų1653.8 Ų53.86%0.06328%0.28CS..EExtended strand (participates in β ladder)trans-113.2123.3176.8176.2-114000108.6L101 I104 Y108 H115 N116 G141 K142L101-Y139 HydrophobicContact CD1-CD2 4.31Å; L101-Y139 HydrophobicContact CD1-CE2 4.03Å; I104-Y139 HydrophobicContact CB-CD2 4.47Å; I104-Y139 HydrophobicContact CB-CE2 4.29Å; I104-Y139 HydrophobicContact CD1-CD2 4.44Å; I104-Y139 HydrophobicContact CG2-CD1 3.8Å; I104-Y139 HydrophobicContact CG2-CD2 3.72Å; I104-Y139 HydrophobicContact CG2-CE1 3.63Å; I104-Y139 HydrophobicContact CG2-CE2 3.55Å; I104-Y139 HydrophobicContact CG2-CG 3.84Å; Y108-Y139 AromaticContact CD2-CE1 3.93Å; Y108-Y139 HydrophobicContact CD2-CE1 3.93Å; Y108-Y139 HydrophobicContact CE2-CD1 4.43Å; Y108-Y139 AromaticContact CE2-CE1 3.9Å; Y108-Y139 HydrophobicContact CE2-CE1 3.9Å; H115-Y139 HydrophobicContact CB-CE2 3.73Å; H115-Y139 PolarHBondContact CE1-OH 2.74Å; H115-Y139 AromaticContact CG-CZ 4Å; H115-Y139 VanDerWaalsContact CG-OH 3.26Å; H115-Y139 AromaticContact ND1-CZ 3.77Å; H115-Y139 PolarHBondContact ND1-OH 2.6Å; N116-Y139 WeakPolarHBondContact O-CA 3.45Å; N116-Y139 WeakPolarHBondContact O-CD2 3.45Å; Y139-G141 PolarHBondContact O-N 2.85Å; Y139-G141 VanDerWaalsContact O-N 3.17Å; Y139-K142 PolarHBondContact N-O 2.8Å; Y139-K142 PolarHBondContact O-N 3.27Å
140D98Very high97.6Very high61 Ų6150.7 Ų50.733%0.32627%0.274SS..THydrogen-bonded Turntrans48.242.3-173.6-68.3-20.6000113.5H115 N116 K142H115-D140 VanDerWaalsContact CA-OD1 3.23Å; H115-D140 WeakPolarHBondContact CA-OD1 3.41Å; H115-D140 IonicContact CE1-OD2 3.88Å; H115-D140 IonicContact CG-OD2 3.76Å; H115-D140 IonicContact ND1-OD1 3.22Å; H115-D140 IonicContact ND1-OD2 3.72Å; H115-D140 PolarHBondContact ND1-OD2 3.33Å; N116-D140 PolarHBondContact N-OD1 2.88Å; N116-D140 PolarHBondContact ND2-OD1 3.01Å; N116-D140 PolarHBondContact O-N 3.4Å; D140-K142 PolarHBondContact O-N 3.17Å
141G97.3Very high97.7Very high62 Ų6253.5 Ų53.564%0.63928%0.283SS*.THydrogen-bonded Turntrans75.51.3179.300000115.6Y139Y139-G141 PolarHBondContact O-N 2.85Å; Y139-G141 VanDerWaalsContact O-N 3.17Å
142K98.4Very high97.7Very high155 Ų15552.8 Ų52.867%0.67428%0.277SS*.EExtended strand (participates in β ladder)trans-102.2148.8176.6-63175.9-174.9170.40111Y138 Y139 D140 Y144Y138-K142 CarbonylContact C-O 3.59Å; Y138-K142 WeakPolarHBondContact CA-O 3.25Å; Y138-K142 WeakPolarHBondContact CB-O 3.26Å; Y139-K142 PolarHBondContact N-O 2.8Å; Y139-K142 PolarHBondContact O-N 3.27Å; D140-K142 PolarHBondContact O-N 3.17Å; K142-Y144 PolarHBondContact O-N 3.44Å
143D98.7Very high97.9Very high74 Ų7452.4 Ų52.440%0.39627%0.271SS..EExtended strand (participates in β ladder)trans-54124.6173.5-824.8000111.2K136 Y138 L157K136-D143 WeakPolarHBondContact CE-OD1 3.35Å; K136-D143 WeakPolarHBondContact CE-OD2 3.33Å; K136-D143 IonicContact NZ-OD1 3.15Å; K136-D143 PolarHBondContact NZ-OD1 2.88Å; K136-D143 IonicContact NZ-OD2 2.94Å; K136-D143 PolarHBondContact NZ-OD2 3.49Å; Y138-D143 WeakPolarHBondContact CD1-OD1 3.23Å; Y138-D143 WeakPolarHBondContact CE1-OD1 3.38Å; D143-L157 HydrophobicContact CB-CB 4.18Å; D143-L157 HydrophobicContact CB-CD1 3.73Å
144Y98.9Very high97.9Very high1 Ų151.5 Ų51.50%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-110.1-63.9-176.4178.4-105.3000112.1I104 L117 Y137 K142 L157 D158 A160 A161 T164I104-Y144 HydrophobicContact CD1-CD1 4.25Å; I104-Y144 HydrophobicContact CD1-CD2 4.33Å; I104-Y144 HydrophobicContact CD1-CE1 3.65Å; I104-Y144 HydrophobicContact CD1-CE2 3.72Å; I104-Y144 HydrophobicContact CG1-CE1 4.28Å; I104-Y144 HydrophobicContact CG1-CE2 3.82Å; I104-Y144 WeakPolarHBondContact CG1-OH 3.14Å; I104-Y144 HydrophobicContact CG2-CE2 4.25Å; L117-Y144 HydrophobicContact CD1-CD1 4.41Å; Y137-Y144 WeakPolarHBondContact O-CB 3.5Å; Y137-Y144 PolarHBondContact O-N 3.42Å; K142-Y144 PolarHBondContact O-N 3.44Å; Y144-L157 WeakPolarHBondContact O-CB 3.47Å; Y144-L157 PolarHBondContact O-N 2.98Å; Y144-D158 HydrophobicContact CD2-CB 3.67Å; Y144-D158 HydrophobicContact CE2-CB 4.19Å; Y144-D158 PolarHBondContact O-N 2.83Å; Y144-A160 HydrophobicContact CE2-CB 4.09Å; Y144-A160 PolarHBondContact OH-O 2.81Å; Y144-A161 HydrophobicContact CD1-CB 4.27Å; Y144-A161 HydrophobicContact CD2-CB 3.98Å; Y144-A161 HydrophobicContact CE1-CB 3.98Å; Y144-A161 HydrophobicContact CE2-CB 3.67Å; Y144-A161 HydrophobicContact CG-CB 4.25Å; Y144-A161 VanDerWaalsContact CZ-CA 3.46Å; Y144-A161 WeakPolarHBondContact O-CB 3.24Å; Y144-A161 WeakPolarHBondContact OH-CA 3.34Å; Y144-A161 PolarHBondContact OH-N 2.89Å; Y144-T164 HydrophobicContact CE1-CG2 4.23Å; Y144-T164 WeakPolarHBondContact OH-CB 3.28Å; Y144-T164 PolarHBondContact OH-OG1 3.37Å
145I98.9Very high97.9Very high0 Ų051.8 Ų51.80%027%0.268CS..EExtended strand (participates in β ladder)trans-150.7144.8179.1-155.4173.6000110.4K136 Y137 W154 V155 A161 T164 K165 W168K136-I145 CarbonylContact C-O 3.55Å; K136-I145 WeakPolarHBondContact CA-O 3.02Å; Y137-I145 HydrophobicContact CD2-CG2 3.82Å; Y137-I145 HydrophobicContact CG-CG2 4.25Å; Y137-I145 PolarHBondContact N-O 3.21Å; Y137-I145 PolarHBondContact O-N 3.37Å; I145-W154 HydrophobicContact CD1-CB 3.76Å; I145-W154 HydrophobicContact CD1-CD2 4.39Å; I145-W154 HydrophobicContact CD1-CE3 4.19Å; I145-W154 HydrophobicContact CD1-CG 4.25Å; I145-W154 HydrophobicContact CG1-CB 4.07Å; I145-W154 HydrophobicContact CG1-CE3 4.04Å; I145-W154 HydrophobicContact CG2-CE3 4.04Å; I145-W154 HydrophobicContact CG2-CZ3 4.21Å; I145-V155 WeakPolarHBondContact CA-O 3.22Å; I145-V155 WeakPolarHBondContact CG1-O 3.46Å; I145-A161 HydrophobicContact CB-CB 4.06Å; I145-A161 HydrophobicContact CD1-CB 4.35Å; I145-A161 HydrophobicContact CG1-CB 4.3Å; I145-T164 HydrophobicContact CD1-CG2 4.26Å; I145-K165 HydrophobicContact CD1-CB 4.04Å; I145-W168 HydrophobicContact CG2-CH2 4.47Å; I145-W168 HydrophobicContact CG2-CZ3 3.88Å
146E98.7Very high97.9Very high67 Ų6750.7 Ų50.731%0.31327%0.268SS..EExtended strand (participates in β ladder)trans-137.1147.5175.166.2-177.4-160.400112.2W135 K136 W154 V155 L157W135-E146 CarbonylContact O-C 3.59Å; W135-E146 WeakPolarHBondContact O-CA 3.45Å; K136-E146 HydrophobicContact CB-CB 4.07Å; K136-E146 HydrophobicContact CD-CB 4.06Å; K136-E146 WeakPolarHBondContact CD-OE2 3.48Å; K136-E146 WeakPolarHBondContact CE-OE2 3.09Å; K136-E146 HydrophobicContact CG-CB 3.91Å; K136-E146 IonicContact NZ-OE2 3.17Å; K136-E146 PolarHBondContact NZ-OE2 3.3Å; E146-W154 CarbonylContact O-C 3.54Å; E146-W154 WeakPolarHBondContact O-CA 3.21Å; E146-V155 HydrophobicContact CG-CB 3.99Å; E146-V155 PolarHBondContact N-O 3.2Å; E146-V155 PolarHBondContact O-N 3.27Å; E146-L157 HydrophobicContact CG-CD1 4.2Å
147F98.8Very high97.9Very high13 Ų1352.9 Ų52.96%0.05728%0.282CS..EExtended strand (participates in β ladder)trans-92.1118.6178.1-169.8-106.5000110.9W135 K149 P152 W154 V175 A178 K179 L182W135-F147 HydrophobicContact CB-CB 4.07Å; W135-F147 PolarHBondContact O-N 3.24Å; F147-K149 HydrophobicContact CD1-CB 4.21Å; F147-K149 HydrophobicContact CE1-CB 3.96Å; F147-P152 HydrophobicContact CZ-CB 3.9Å; F147-W154 HydrophobicContact CB-CD2 4.12Å; F147-W154 HydrophobicContact CB-CE3 3.82Å; F147-W154 HydrophobicContact CB-CH2 4Å; F147-W154 HydrophobicContact CB-CZ2 4.29Å; F147-W154 HydrophobicContact CB-CZ3 3.75Å; F147-W154 AromaticContact CD2-CD1 3.93Å; F147-W154 AromaticContact CD2-CD2 3.75Å; F147-W154 HydrophobicContact CD2-CD2 3.75Å; F147-W154 AromaticContact CD2-CE2 3.64Å; F147-W154 HydrophobicContact CD2-CE3 4.33Å; F147-W154 AromaticContact CD2-CG 3.94Å; F147-W154 HydrophobicContact CD2-CG 3.94Å; F147-W154 HydrophobicContact CD2-CZ2 4.15Å; F147-W154 AromaticContact CD2-NE1 3.75Å; F147-W154 HydrophobicContact CG-CD2 4.41Å; F147-W154 HydrophobicContact CG-CZ2 4.48Å; F147-V175 HydrophobicContact CE2-CG1 4.34Å; F147-V175 HydrophobicContact CZ-CG1 4.35Å; F147-V175 WeakPolarHBondContact CZ-O 3.32Å; F147-A178 HydrophobicContact CD1-CB 4.31Å; F147-A178 HydrophobicContact CD2-CB 4.13Å; F147-A178 HydrophobicContact CE1-CB 3.92Å; F147-A178 HydrophobicContact CE2-CB 3.73Å; F147-A178 HydrophobicContact CG-CB 4.4Å; F147-A178 HydrophobicContact CZ-CB 3.61Å; F147-K179 HydrophobicContact CE1-CB 4.19Å; F147-K179 HydrophobicContact CZ-CB 4.3Å; F147-L182 HydrophobicContact CD1-CD1 3.78Å; F147-L182 HydrophobicContact CE1-CD1 4.43Å
148N98.2Very high97.9Very high55 Ų5553.5 Ų53.529%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-94.4103.9171.2-177.7-28.4000109.3E150 I151 P152 A153 V155N148-E150 VanDerWaalsContact C-N 3.29Å; N148-E150 PolarHBondContact O-N 2.78Å; N148-E150 WeakPolarHBondContact OD1-CB 3.42Å; N148-E150 PolarHBondContact OD1-N 2.65Å; N148-I151 PolarHBondContact OD1-N 3.28Å; N148-P152 CarbonylContact O-C 3.57Å; N148-P152 WeakPolarHBondContact O-CA 3.47Å; N148-A153 PolarHBondContact N-O 2.81Å; N148-A153 PolarHBondContact O-N 3.1Å; N148-V155 HydrophobicContact CB-CG2 3.97Å
149K96.6Very high97.9Very high44 Ų4454.4 Ų54.419%0.19130%0.299CS..THydrogen-bonded Turntrans-72.7-14-177.774.4-179.7-171.766.60115.4S133 F147 P152 K179 E183S133-K149 WeakPolarHBondContact OG-CD 3.37Å; S133-K149 WeakPolarHBondContact OG-CE 3.4Å; F147-K149 HydrophobicContact CD1-CB 4.21Å; F147-K149 HydrophobicContact CE1-CB 3.96Å; K149-P152 WeakPolarHBondContact O-CD 3.5Å; K149-K179 PolarHBondContact O-NZ 2.85Å; K149-E183 HydrophobicContact CD-CG 4.09Å; K149-E183 IonicContact NZ-OE1 2.79Å; K149-E183 PolarHBondContact NZ-OE1 3.13Å
150E95.5Very high97.8Very high136 Ų13653.8 Ų53.864%0.63630%0.297SS*.THydrogen-bonded Turntrans-79.2-34.9178.4-57.2-54.8140.200111N148 P152N148-E150 VanDerWaalsContact C-N 3.29Å; N148-E150 PolarHBondContact O-N 2.78Å; N148-E150 WeakPolarHBondContact OD1-CB 3.42Å; N148-E150 PolarHBondContact OD1-N 2.65Å; E150-P152 VanDerWaalsContact C-N 3.28Å; E150-P152 WeakPolarHBondContact O-CD 3.16Å
151I94.7Very high97.9Very high123 Ų12350.9 Ų50.963%0.63128%0.282SS*.THydrogen-bonded Turntrans-86.1-1171.6-62.1174.5000112.1N148 A153N148-I151 PolarHBondContact OD1-N 3.28Å; I151-A153 HydrophobicContact CG2-CB 3.99Å
152P94.6Very high97.9Very high42 Ų4252.3 Ų52.327%0.27327%0.272SS..THydrogen-bonded Turn-1.696.5-127.323.8-39.8000115.2F147 N148 K149 E150 V175 K179F147-P152 HydrophobicContact CZ-CB 3.9Å; N148-P152 CarbonylContact O-C 3.57Å; N148-P152 WeakPolarHBondContact O-CA 3.47Å; K149-P152 WeakPolarHBondContact O-CD 3.5Å; E150-P152 VanDerWaalsContact C-N 3.28Å; E150-P152 WeakPolarHBondContact O-CD 3.16Å; P152-V175 HydrophobicContact CB-CG1 3.62Å; P152-V175 HydrophobicContact CG-CG1 4.3Å; P152-V175 WeakPolarHBondContact O-CG1 3.15Å; P152-K179 HydrophobicContact CB-CB 4.25Å; P152-K179 HydrophobicContact CB-CD 4Å; P152-K179 HydrophobicContact CG-CD 4.06Å
153A98.1Very high97.9Very high18 Ų1848.4 Ų48.415%0.14926%0.258CS..EExtended strand (participates in β ladder)trans-157.7155.3173.400000111.5N148 I151 E169N148-A153 PolarHBondContact N-O 2.81Å; N148-A153 PolarHBondContact O-N 3.1Å; I151-A153 HydrophobicContact CG2-CB 3.99Å; A153-E169 WeakPolarHBondContact CA-OE1 3.43Å
154W98.6Very high97.9Very high12 Ų1245 Ų455%0.04524%0.241CC..EExtended strand (participates in β ladder)trans-77.3131.9169.2-66.997000110.9W135 Y137 I145 E146 F147 K165 W168 E169W135-W154 AromaticContact CD1-CH2 3.95Å; W135-W154 AromaticContact CD2-CH2 3.84Å; W135-W154 HydrophobicContact CD2-CH2 3.84Å; W135-W154 AromaticContact CE2-CH2 3.82Å; W135-W154 HydrophobicContact CE3-CH2 4.39Å; W135-W154 AromaticContact CG-CH2 3.96Å; W135-W154 HydrophobicContact CG-CH2 3.96Å; W135-W154 HydrophobicContact CG-CZ3 4.41Å; W135-W154 HydrophobicContact CZ2-CH2 4.36Å; W135-W154 AromaticContact NE1-CH2 3.89Å; Y137-W154 HydrophobicContact CD2-CZ3 4.17Å; Y137-W154 AromaticContact CE2-CH2 3.93Å; Y137-W154 HydrophobicContact CE2-CH2 3.93Å; Y137-W154 AromaticContact CE2-CZ3 3.95Å; Y137-W154 HydrophobicContact CE2-CZ3 3.95Å; I145-W154 HydrophobicContact CD1-CB 3.76Å; I145-W154 HydrophobicContact CD1-CD2 4.39Å; I145-W154 HydrophobicContact CD1-CE3 4.19Å; I145-W154 HydrophobicContact CD1-CG 4.25Å; I145-W154 HydrophobicContact CG1-CB 4.07Å; I145-W154 HydrophobicContact CG1-CE3 4.04Å; I145-W154 HydrophobicContact CG2-CE3 4.04Å; I145-W154 HydrophobicContact CG2-CZ3 4.21Å; E146-W154 CarbonylContact O-C 3.54Å; E146-W154 WeakPolarHBondContact O-CA 3.21Å; F147-W154 HydrophobicContact CB-CD2 4.12Å; F147-W154 HydrophobicContact CB-CE3 3.82Å; F147-W154 HydrophobicContact CB-CH2 4Å; F147-W154 HydrophobicContact CB-CZ2 4.29Å; F147-W154 HydrophobicContact CB-CZ3 3.75Å; F147-W154 AromaticContact CD2-CD1 3.93Å; F147-W154 AromaticContact CD2-CD2 3.75Å; F147-W154 HydrophobicContact CD2-CD2 3.75Å; F147-W154 AromaticContact CD2-CE2 3.64Å; F147-W154 HydrophobicContact CD2-CE3 4.33Å; F147-W154 AromaticContact CD2-CG 3.94Å; F147-W154 HydrophobicContact CD2-CG 3.94Å; F147-W154 HydrophobicContact CD2-CZ2 4.15Å; F147-W154 AromaticContact CD2-NE1 3.75Å; F147-W154 HydrophobicContact CG-CD2 4.41Å; F147-W154 HydrophobicContact CG-CZ2 4.48Å; W154-K165 HydrophobicContact CB-CG 4.22Å; W154-K165 WeakPolarHBondContact O-CD 3.38Å; W154-K165 WeakPolarHBondContact O-CE 3.27Å; W154-K165 PolarHBondContact O-NZ 3.12Å; W154-W168 AromaticContact CD2-CE3 3.61Å; W154-W168 HydrophobicContact CD2-CE3 3.61Å; W154-W168 HydrophobicContact CD2-CZ3 4.09Å; W154-W168 AromaticContact CE2-CE3 3.39Å; W154-W168 AromaticContact CE3-CE3 3.86Å; W154-W168 HydrophobicContact CE3-CE3 3.86Å; W154-W168 AromaticContact CE3-CZ3 3.83Å; W154-W168 HydrophobicContact CE3-CZ3 3.83Å; W154-W168 HydrophobicContact CG-CE3 4.28Å; W154-W168 AromaticContact CH2-CE3 3.71Å; W154-W168 HydrophobicContact CH2-CE3 3.71Å; W154-W168 HydrophobicContact CH2-CH2 4.48Å; W154-W168 AromaticContact CH2-CZ3 3.42Å; W154-W168 HydrophobicContact CH2-CZ3 3.42Å; W154-W168 VanDerWaalsContact CH2-CZ3 3.42Å; W154-W168 HydrophobicContact CZ2-CD2 4.44Å; W154-W168 AromaticContact CZ2-CE3 3.45Å; W154-W168 HydrophobicContact CZ2-CE3 3.45Å; W154-W168 VanDerWaalsContact CZ2-CE3 3.45Å; W154-W168 AromaticContact CZ2-CZ3 3.69Å; W154-W168 HydrophobicContact CZ2-CZ3 3.69Å; W154-W168 AromaticContact CZ3-CE3 3.91Å; W154-W168 HydrophobicContact CZ3-CE3 3.91Å; W154-W168 AromaticContact CZ3-CZ3 3.5Å; W154-W168 HydrophobicContact CZ3-CZ3 3.5Å; W154-W168 AromaticContact NE1-CE3 3.91Å; W154-E169 PolarHBondContact N-OE1 3.19Å
155V98.6Very high97.9Very high52 Ų5247.2 Ų47.232%0.31525%0.25SS..EExtended strand (participates in β ladder)trans-103.3108.3177-176.70000107.4I145 E146 N148 L157I145-V155 WeakPolarHBondContact CA-O 3.22Å; I145-V155 WeakPolarHBondContact CG1-O 3.46Å; E146-V155 HydrophobicContact CG-CB 3.99Å; E146-V155 PolarHBondContact N-O 3.2Å; E146-V155 PolarHBondContact O-N 3.27Å; N148-V155 HydrophobicContact CB-CG2 3.97Å; V155-L157 HydrophobicContact CG1-CD2 4.02Å
156A98.5Very high97.9Very high22 Ų2253.6 Ų53.618%0.18228%0.28CS..EExtended strand (participates in β ladder)trans-77.4125.1176.400000110.3A161 Q162 K165A156-A161 HydrophobicContact CB-CB 3.75Å; A156-Q162 HydrophobicContact CB-CG 4.23Å; A156-K165 HydrophobicContact CB-CD 4.49Å
157L98.5Very high97.8Very high80 Ų8055.2 Ų55.242%0.41929%0.286SS..  trans-111.5-14.8-177.9-58.9172.9000112.1D143 Y144 E146 V155D143-L157 HydrophobicContact CB-CB 4.18Å; D143-L157 HydrophobicContact CB-CD1 3.73Å; Y144-L157 WeakPolarHBondContact O-CB 3.47Å; Y144-L157 PolarHBondContact O-N 2.98Å; E146-L157 HydrophobicContact CG-CD1 4.2Å; V155-L157 HydrophobicContact CG1-CD2 4.02Å
158D98.6Very high97.8Very high30 Ų3056.8 Ų56.816%0.1629%0.291CS..SBendtrans-119.1149.1175.6178.2-87.7000110.7Y108 Y144 A160 A161Y108-D158 VanDerWaalsContact OH-CG 3.28Å; Y108-D158 PolarHBondContact OH-OD1 2.88Å; Y108-D158 PolarHBondContact OH-OD2 2.95Å; Y144-D158 HydrophobicContact CD2-CB 3.67Å; Y144-D158 HydrophobicContact CE2-CB 4.19Å; Y144-D158 PolarHBondContact O-N 2.83Å; D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 3.06Å; D158-A160 WeakPolarHBondContact OD1-CA 3.36Å; D158-A160 VanDerWaalsContact OD1-CB 3.28Å; D158-A160 WeakPolarHBondContact OD1-CB 3.2Å; D158-A160 PolarHBondContact OD1-N 2.81Å; D158-A161 HydrophobicContact CB-CB 4.2Å; D158-A161 VanDerWaalsContact O-CB 3.24Å; D158-A161 WeakPolarHBondContact O-CB 3.46Å; D158-A161 PolarHBondContact O-N 3.23Å
159P98.4Very high97.8Very high79 Ų7956.8 Ų56.851%0.51329%0.289SS..THydrogen-bonded Turntrans-55-41.3177.8-27.936.6000114.3Y107 A161 Q162Y107-P159 HydrophobicContact CE1-CB 4.41Å; P159-A161 PolarHBondContact O-N 2.81Å; P159-Q162 PolarHBondContact O-N 3.29Å
160A98.3Very high97.8Very high3 Ų357.9 Ų57.93%0.02531%0.307CS..THydrogen-bonded Turntrans-69.1-24.717800000111.8I104 Y107 Y108 Y144 D158 Q162 N163I104-A160 HydrophobicContact CG2-CB 4.3Å; Y107-A160 HydrophobicContact CD1-CB 3.36Å; Y107-A160 HydrophobicContact CD2-CB 4.32Å; Y107-A160 HydrophobicContact CE1-CB 3.73Å; Y107-A160 HydrophobicContact CG-CB 3.68Å; Y108-A160 HydrophobicContact CD2-CB 4.49Å; Y108-A160 HydrophobicContact CE2-CB 3.69Å; Y144-A160 HydrophobicContact CE2-CB 4.09Å; Y144-A160 PolarHBondContact OH-O 2.81Å; D158-A160 VanDerWaalsContact C-N 3.31Å; D158-A160 PolarHBondContact O-N 3.06Å; D158-A160 WeakPolarHBondContact OD1-CA 3.36Å; D158-A160 VanDerWaalsContact OD1-CB 3.28Å; D158-A160 WeakPolarHBondContact OD1-CB 3.2Å; D158-A160 PolarHBondContact OD1-N 2.81Å; A160-Q162 PolarHBondContact O-N 3.39Å; A160-N163 PolarHBondContact O-N 3.45Å; A160-N163 VanDerWaalsContact O-N 3.15Å
161A98.5Very high97.9Very high0 Ų056.4 Ų56.40%030%0.3CS..Hα-helixtrans-65.6-17.4176.700000113.6Y144 I145 A156 D158 P159 N163 T164 K165Y144-A161 HydrophobicContact CD1-CB 4.27Å; Y144-A161 HydrophobicContact CD2-CB 3.98Å; Y144-A161 HydrophobicContact CE1-CB 3.98Å; Y144-A161 HydrophobicContact CE2-CB 3.67Å; Y144-A161 HydrophobicContact CG-CB 4.25Å; Y144-A161 VanDerWaalsContact CZ-CA 3.46Å; Y144-A161 WeakPolarHBondContact O-CB 3.24Å; Y144-A161 WeakPolarHBondContact OH-CA 3.34Å; Y144-A161 PolarHBondContact OH-N 2.89Å; I145-A161 HydrophobicContact CB-CB 4.06Å; I145-A161 HydrophobicContact CD1-CB 4.35Å; I145-A161 HydrophobicContact CG1-CB 4.3Å; A156-A161 HydrophobicContact CB-CB 3.75Å; D158-A161 HydrophobicContact CB-CB 4.2Å; D158-A161 VanDerWaalsContact O-CB 3.24Å; D158-A161 WeakPolarHBondContact O-CB 3.46Å; D158-A161 PolarHBondContact O-N 3.23Å; P159-A161 PolarHBondContact O-N 2.81Å; A161-N163 VanDerWaalsContact C-N 3.34Å; A161-T164 PolarHBondContact O-N 3.05Å; A161-K165 VanDerWaalsContact O-CB 3.3Å; A161-K165 WeakPolarHBondContact O-CB 3.46Å; A161-K165 PolarHBondContact O-N 2.94Å
162Q98.5Very high97.9Very high93 Ų9355.2 Ų55.244%0.43530%0.3SS..Hα-helixtrans-65.1-38.3172.3-65.4-64.9-1100112A156 P159 A160 K165 Q166A156-Q162 HydrophobicContact CB-CG 4.23Å; P159-Q162 PolarHBondContact O-N 3.29Å; A160-Q162 PolarHBondContact O-N 3.39Å; Q162-K165 PolarHBondContact O-N 3.14Å; Q162-Q166 WeakPolarHBondContact O-CG 3.16Å; Q162-Q166 PolarHBondContact O-N 2.87Å
163N98.2Very high98Very high72 Ų7255.9 Ų55.939%0.38530%0.303SS..Hα-helixtrans-68.1-43.6176.6-69.9-1.1000110.6Y107 A160 A161 Q166 K167Y107-N163 WeakPolarHBondContact CD2-ND2 3.38Å; A160-N163 PolarHBondContact O-N 3.45Å; A160-N163 VanDerWaalsContact O-N 3.15Å; A161-N163 VanDerWaalsContact C-N 3.34Å; N163-Q166 PolarHBondContact O-N 2.94Å; N163-K167 PolarHBondContact O-N 3.46Å
164T98.5Very high97.9Very high4 Ų459.8 Ų59.83%0.02532%0.315CS..Hα-helixtrans-62-43.9175.7-62.20000111.7T100 Y144 I145 A161 Q166 K167 W168T100-T164 HydrophobicContact CG2-CG2 4.11Å; Y144-T164 HydrophobicContact CE1-CG2 4.23Å; Y144-T164 WeakPolarHBondContact OH-CB 3.28Å; Y144-T164 PolarHBondContact OH-OG1 3.37Å; I145-T164 HydrophobicContact CD1-CG2 4.26Å; A161-T164 PolarHBondContact O-N 3.05Å; T164-Q166 VanDerWaalsContact C-N 3.35Å; T164-Q166 PolarHBondContact O-N 3.37Å; T164-K167 PolarHBondContact O-N 3.28Å; T164-W168 HydrophobicContact CG2-CD2 3.61Å; T164-W168 VanDerWaalsContact CG2-CE2 3.48Å; T164-W168 HydrophobicContact CG2-CE3 3.88Å; T164-W168 HydrophobicContact CG2-CG 4.16Å; T164-W168 HydrophobicContact CG2-CH2 4Å; T164-W168 HydrophobicContact CG2-CZ2 3.71Å; T164-W168 HydrophobicContact CG2-CZ3 4.08Å; T164-W168 WeakPolarHBondContact O-CB 3.29Å; T164-W168 PolarHBondContact O-N 2.92Å
165K98.6Very high97.9Very high47 Ų4760.2 Ų60.220%0.20432%0.319CS..Hα-helixtrans-54.7-50172.9176.8175.9171.963.70111.2I145 W154 A156 A161 Q162 K167 W168 E169I145-K165 HydrophobicContact CD1-CB 4.04Å; W154-K165 HydrophobicContact CB-CG 4.22Å; W154-K165 WeakPolarHBondContact O-CD 3.38Å; W154-K165 WeakPolarHBondContact O-CE 3.27Å; W154-K165 PolarHBondContact O-NZ 3.12Å; A156-K165 HydrophobicContact CB-CD 4.49Å; A161-K165 VanDerWaalsContact O-CB 3.3Å; A161-K165 WeakPolarHBondContact O-CB 3.46Å; A161-K165 PolarHBondContact O-N 2.94Å; Q162-K165 PolarHBondContact O-N 3.14Å; K165-K167 VanDerWaalsContact C-N 3.32Å; K165-K167 PolarHBondContact O-N 3.37Å; K165-W168 PolarHBondContact O-N 2.88Å; K165-E169 WeakPolarHBondContact CE-OE2 3.31Å; K165-E169 HydrophobicContact CG-CG 4.34Å; K165-E169 IonicContact NZ-OE1 2.76Å; K165-E169 PolarHBondContact NZ-OE1 3.2Å; K165-E169 IonicContact NZ-OE2 2.89Å; K165-E169 PolarHBondContact NZ-OE2 3.47Å; K165-E169 WeakPolarHBondContact O-CB 3.43Å; K165-E169 WeakPolarHBondContact O-CG 3.31Å; K165-E169 PolarHBondContact O-N 3.35Å
166Q98.3Very high97.8Very high133 Ų13363.9 Ų63.962%0.62133%0.333SS*.Hα-helixtrans-59-41.9178.9-73.3174.34.600112.2Q162 N163 T164 A170Q162-Q166 WeakPolarHBondContact O-CG 3.16Å; Q162-Q166 PolarHBondContact O-N 2.87Å; N163-Q166 PolarHBondContact O-N 2.94Å; T164-Q166 VanDerWaalsContact C-N 3.35Å; T164-Q166 PolarHBondContact O-N 3.37Å; Q166-A170 WeakPolarHBondContact O-CA 3.27Å; Q166-A170 WeakPolarHBondContact O-CB 3.34Å; Q166-A170 PolarHBondContact O-N 3.25Å
167K97.9Very high97.7Very high102 Ų10270.5 Ų70.544%0.44335%0.353SS..Hα-helixtrans-64.8-47.5175.8-69-174.2-177.1-169.60111.8D103 N163 T164 K165 E169 A170D103-K167 IonicContact OD1-NZ 3.08Å; D103-K167 PolarHBondContact OD1-NZ 3.15Å; D103-K167 IonicContact OD2-NZ 2.8Å; D103-K167 PolarHBondContact OD2-NZ 2.91Å; N163-K167 PolarHBondContact O-N 3.46Å; T164-K167 PolarHBondContact O-N 3.28Å; K165-K167 VanDerWaalsContact C-N 3.32Å; K165-K167 PolarHBondContact O-N 3.37Å; K167-E169 VanDerWaalsContact C-N 3.26Å; K167-E169 PolarHBondContact O-N 2.88Å; K167-A170 WeakPolarHBondContact O-CB 3.24Å; K167-A170 PolarHBondContact O-N 3.39Å
168W98.1Very high97.7Very high46 Ų4667.1 Ų67.117%0.17434%0.336CS..Hα-helixtrans-75.9-12.6-175.3-68.13.7000113.8T100 Y137 I145 W154 T164 K165 Y174T100-W168 HydrophobicContact CG2-CH2 4.44Å; T100-W168 HydrophobicContact CG2-CZ2 3.84Å; Y137-W168 AromaticContact CD2-CH2 3.99Å; Y137-W168 HydrophobicContact CD2-CH2 3.99Å; Y137-W168 HydrophobicContact CD2-CZ3 4.05Å; Y137-W168 HydrophobicContact CE1-CH2 4.08Å; Y137-W168 AromaticContact CE2-CH2 3.52Å; Y137-W168 HydrophobicContact CE2-CH2 3.52Å; Y137-W168 AromaticContact CE2-CZ3 3.65Å; Y137-W168 HydrophobicContact CE2-CZ3 3.65Å; Y137-W168 HydrophobicContact CG-CH2 4.48Å; Y137-W168 AromaticContact CZ-CH2 3.58Å; I145-W168 HydrophobicContact CG2-CH2 4.47Å; I145-W168 HydrophobicContact CG2-CZ3 3.88Å; W154-W168 AromaticContact CD2-CE3 3.61Å; W154-W168 HydrophobicContact CD2-CE3 3.61Å; W154-W168 HydrophobicContact CD2-CZ3 4.09Å; W154-W168 AromaticContact CE2-CE3 3.39Å; W154-W168 AromaticContact CE3-CE3 3.86Å; W154-W168 HydrophobicContact CE3-CE3 3.86Å; W154-W168 AromaticContact CE3-CZ3 3.83Å; W154-W168 HydrophobicContact CE3-CZ3 3.83Å; W154-W168 HydrophobicContact CG-CE3 4.28Å; W154-W168 AromaticContact CH2-CE3 3.71Å; W154-W168 HydrophobicContact CH2-CE3 3.71Å; W154-W168 HydrophobicContact CH2-CH2 4.48Å; W154-W168 AromaticContact CH2-CZ3 3.42Å; W154-W168 HydrophobicContact CH2-CZ3 3.42Å; W154-W168 VanDerWaalsContact CH2-CZ3 3.42Å; W154-W168 HydrophobicContact CZ2-CD2 4.44Å; W154-W168 AromaticContact CZ2-CE3 3.45Å; W154-W168 HydrophobicContact CZ2-CE3 3.45Å; W154-W168 VanDerWaalsContact CZ2-CE3 3.45Å; W154-W168 AromaticContact CZ2-CZ3 3.69Å; W154-W168 HydrophobicContact CZ2-CZ3 3.69Å; W154-W168 AromaticContact CZ3-CE3 3.91Å; W154-W168 HydrophobicContact CZ3-CE3 3.91Å; W154-W168 AromaticContact CZ3-CZ3 3.5Å; W154-W168 HydrophobicContact CZ3-CZ3 3.5Å; W154-W168 AromaticContact NE1-CE3 3.91Å; T164-W168 HydrophobicContact CG2-CD2 3.61Å; T164-W168 VanDerWaalsContact CG2-CE2 3.48Å; T164-W168 HydrophobicContact CG2-CE3 3.88Å; T164-W168 HydrophobicContact CG2-CG 4.16Å; T164-W168 HydrophobicContact CG2-CH2 4Å; T164-W168 HydrophobicContact CG2-CZ2 3.71Å; T164-W168 HydrophobicContact CG2-CZ3 4.08Å; T164-W168 WeakPolarHBondContact O-CB 3.29Å; T164-W168 PolarHBondContact O-N 2.92Å; K165-W168 PolarHBondContact O-N 2.88Å; W168-Y174 WeakPolarHBondContact O-CB 3.34Å
169E98.3Very high97.7Very high54 Ų5468.2 Ų68.225%0.25234%0.339SS..THydrogen-bonded Turntrans-11611.2175.7-56.9-173.5165.100113.1A153 W154 K165 K167 E171 V175A153-E169 WeakPolarHBondContact CA-OE1 3.43Å; W154-E169 PolarHBondContact N-OE1 3.19Å; K165-E169 WeakPolarHBondContact CE-OE2 3.31Å; K165-E169 HydrophobicContact CG-CG 4.34Å; K165-E169 IonicContact NZ-OE1 2.76Å; K165-E169 PolarHBondContact NZ-OE1 3.2Å; K165-E169 IonicContact NZ-OE2 2.89Å; K165-E169 PolarHBondContact NZ-OE2 3.47Å; K165-E169 WeakPolarHBondContact O-CB 3.43Å; K165-E169 WeakPolarHBondContact O-CG 3.31Å; K165-E169 PolarHBondContact O-N 3.35Å; K167-E169 VanDerWaalsContact C-N 3.26Å; K167-E169 PolarHBondContact O-N 2.88Å; E169-E171 PolarHBondContact O-N 2.51Å; E169-E171 VanDerWaalsContact O-N 3.16Å; E169-V175 HydrophobicContact CB-CG2 4.13Å; E169-V175 HydrophobicContact CG-CG2 3.61Å
170A97.6Very high97.7Very high67 Ų6765.6 Ų65.655%0.55433%0.325SS*.SBendtrans-58.1-32-177.100000112.8Q166 K167 Y174Q166-A170 WeakPolarHBondContact O-CA 3.27Å; Q166-A170 WeakPolarHBondContact O-CB 3.34Å; Q166-A170 PolarHBondContact O-N 3.25Å; K167-A170 WeakPolarHBondContact O-CB 3.24Å; K167-A170 PolarHBondContact O-N 3.39Å; A170-Y174 HydrophobicContact CB-CE2 4.38Å
171E97.1Very high97.7Very high105 Ų10566.4 Ų66.449%0.49133%0.327SS..SBendtrans-120.6136173.7-64.4-67.5167.800110.2E169 V173 Y174E169-E171 PolarHBondContact O-N 2.51Å; E169-E171 VanDerWaalsContact O-N 3.16Å; E171-V173 HydrophobicContact CB-CG1 3.96Å; E171-V173 PolarHBondContact O-N 2.87Å; E171-Y174 HydrophobicContact CB-CD2 3.83Å; E171-Y174 HydrophobicContact CB-CE1 4.33Å; E171-Y174 HydrophobicContact CB-CE2 3.63Å; E171-Y174 HydrophobicContact CB-CG 4.27Å; E171-Y174 HydrophobicContact CG-CD2 4.47Å; E171-Y174 HydrophobicContact CG-CE2 3.78Å; E171-Y174 PolarHBondContact O-N 3.28Å
172P93.6Very high97.7Very high98 Ų9866.6 Ų66.664%0.63633%0.328SS*.Hα-helixtrans-54.3-27.9179.6-27.634.7000114.2Y174 Q176P172-Y174 VanDerWaalsContact C-N 3.29Å; P172-Y174 PolarHBondContact O-N 3.34Å; P172-Q176 PolarHBondContact O-N 3.17Å
173V96.8Very high97.6Very high56 Ų5665.3 Ų65.334%0.33932%0.322SS..Hα-helixtrans-65.9-28179.772.20000113.1E171 Q176 R177E171-V173 HydrophobicContact CB-CG1 3.96Å; E171-V173 PolarHBondContact O-N 2.87Å; V173-Q176 PolarHBondContact O-N 2.96Å; V173-R177 HydrophobicContact CG2-CG 4.37Å; V173-R177 WeakPolarHBondContact O-CB 2.99Å; V173-R177 WeakPolarHBondContact O-CG 3.38Å; V173-R177 PolarHBondContact O-N 3.03Å
174Y96.9Very high97.6Very high101 Ų10168.1 Ų68.140%0.39633%0.333SS..Hα-helixtrans-68.8-43.6-176.5-61.3-29000112W168 A170 E171 P172 Q176 R177 A178W168-Y174 WeakPolarHBondContact O-CB 3.34Å; A170-Y174 HydrophobicContact CB-CE2 4.38Å; E171-Y174 HydrophobicContact CB-CD2 3.83Å; E171-Y174 HydrophobicContact CB-CE1 4.33Å; E171-Y174 HydrophobicContact CB-CE2 3.63Å; E171-Y174 HydrophobicContact CB-CG 4.27Å; E171-Y174 HydrophobicContact CG-CD2 4.47Å; E171-Y174 HydrophobicContact CG-CE2 3.78Å; E171-Y174 PolarHBondContact O-N 3.28Å; P172-Y174 VanDerWaalsContact C-N 3.29Å; P172-Y174 PolarHBondContact O-N 3.34Å; Y174-Q176 VanDerWaalsContact C-N 3.33Å; Y174-Q176 PolarHBondContact O-N 2.87Å; Y174-R177 PolarHBondContact O-N 2.87Å; Y174-A178 PolarHBondContact O-N 3.44Å
175V97.6Very high97.6Very high20 Ų2073 Ų7312%0.12136%0.355CS..Hα-helixtrans-62.8-41.2174.2165.50000111.4F147 P152 E169 A178 K179F147-V175 HydrophobicContact CE2-CG1 4.34Å; F147-V175 HydrophobicContact CZ-CG1 4.35Å; F147-V175 WeakPolarHBondContact CZ-O 3.32Å; P152-V175 HydrophobicContact CB-CG1 3.62Å; P152-V175 HydrophobicContact CG-CG1 4.3Å; P152-V175 WeakPolarHBondContact O-CG1 3.15Å; E169-V175 HydrophobicContact CB-CG2 4.13Å; E169-V175 HydrophobicContact CG-CG2 3.61Å; V175-A178 PolarHBondContact O-N 3.42Å; V175-K179 PolarHBondContact O-N 3.2Å
176Q97.6Very high97.6Very high130 Ų13070.7 Ų70.761%0.60735%0.346SS*.Hα-helixtrans-64.2-41.8176-69.5178.8-14.500112P172 V173 Y174 K179 A180P172-Q176 PolarHBondContact O-N 3.17Å; V173-Q176 PolarHBondContact O-N 2.96Å; Y174-Q176 VanDerWaalsContact C-N 3.33Å; Y174-Q176 PolarHBondContact O-N 2.87Å; Q176-K179 PolarHBondContact O-N 3.25Å; Q176-A180 WeakPolarHBondContact O-CB 3.35Å; Q176-A180 PolarHBondContact O-N 2.81Å
177R97Very high97.6Very high161 Ų16164.4 Ų64.461%0.60832%0.316SS*.Hα-helixtrans-63-41.6174.6-75.2175.3179.8174.81.8112V173 Y174 K179 A180 Y181V173-R177 HydrophobicContact CG2-CG 4.37Å; V173-R177 WeakPolarHBondContact O-CB 2.99Å; V173-R177 WeakPolarHBondContact O-CG 3.38Å; V173-R177 PolarHBondContact O-N 3.03Å; Y174-R177 PolarHBondContact O-N 2.87Å; R177-K179 VanDerWaalsContact C-N 3.34Å; R177-K179 PolarHBondContact O-N 2.76Å; R177-A180 PolarHBondContact O-N 3.43Å; R177-Y181 WeakPolarHBondContact O-CB 3.44Å; R177-Y181 PolarHBondContact O-N 3.27Å
178A97.7Very high97.6Very high8 Ų862.1 Ų62.17%0.06632%0.316CS..Hα-helixtrans-62.6-41.5176.700000111.9W135 F147 Y174 V175 L182W135-A178 HydrophobicContact CZ3-CB 4.06Å; F147-A178 HydrophobicContact CD1-CB 4.31Å; F147-A178 HydrophobicContact CD2-CB 4.13Å; F147-A178 HydrophobicContact CE1-CB 3.92Å; F147-A178 HydrophobicContact CE2-CB 3.73Å; F147-A178 HydrophobicContact CG-CB 4.4Å; F147-A178 HydrophobicContact CZ-CB 3.61Å; Y174-A178 PolarHBondContact O-N 3.44Å; V175-A178 PolarHBondContact O-N 3.42Å; A178-L182 PolarHBondContact O-N 2.95Å
179K98.3Very high97.6Very high53 Ų5361.8 Ų61.823%0.2332%0.319CS..Hα-helixtrans-63.8-49.1173.4-176.7177.1176.164.50111.9F147 K149 P152 V175 Q176 R177 Y181 L182 E183F147-K179 HydrophobicContact CE1-CB 4.19Å; F147-K179 HydrophobicContact CZ-CB 4.3Å; K149-K179 PolarHBondContact O-NZ 2.85Å; P152-K179 HydrophobicContact CB-CB 4.25Å; P152-K179 HydrophobicContact CB-CD 4Å; P152-K179 HydrophobicContact CG-CD 4.06Å; V175-K179 PolarHBondContact O-N 3.2Å; Q176-K179 PolarHBondContact O-N 3.25Å; R177-K179 VanDerWaalsContact C-N 3.34Å; R177-K179 PolarHBondContact O-N 2.76Å; K179-Y181 VanDerWaalsContact C-N 3.28Å; K179-Y181 PolarHBondContact O-N 3.43Å; K179-L182 PolarHBondContact O-N 2.77Å; K179-L182 VanDerWaalsContact O-N 3.14Å; K179-E183 WeakPolarHBondContact CE-OE2 3.07Å; K179-E183 HydrophobicContact CG-CG 4.38Å; K179-E183 WeakPolarHBondContact CG-OE2 3.41Å; K179-E183 IonicContact NZ-OE1 2.66Å; K179-E183 PolarHBondContact NZ-OE1 2.97Å; K179-E183 IonicContact NZ-OE2 2.88Å; K179-E183 PolarHBondContact NZ-OE2 3.28Å; K179-E183 PolarHBondContact O-N 3.48Å
180A98.3Very high97.6Very high25 Ų2559.2 Ų59.221%0.20731%0.307CS..Hα-helixtrans-59.5-38.9179.100000111.9Q176 R177 L182 E183 E184 E185Q176-A180 WeakPolarHBondContact O-CB 3.35Å; Q176-A180 PolarHBondContact O-N 2.81Å; R177-A180 PolarHBondContact O-N 3.43Å; A180-L182 PolarHBondContact O-N 3.25Å; A180-E183 PolarHBondContact O-N 3.2Å; A180-E184 WeakPolarHBondContact O-CA 3.4Å; A180-E184 VanDerWaalsContact O-CB 3.28Å; A180-E184 WeakPolarHBondContact O-CB 3.28Å; A180-E184 PolarHBondContact O-N 2.69Å; A180-E185 PolarHBondContact O-N 3.24Å; A180-E185 VanDerWaalsContact O-N 3.16Å
181Y98.2Very high97.6Very high20 Ų2060.1 Ų60.18%0.07830%0.296CS..Iπ-helixtrans-57.9-47.2174.7174.1-100.9000112.2F121 W135 R177 K179 E185 C186F121-Y181 AromaticContact CD2-CE1 3.76Å; F121-Y181 HydrophobicContact CD2-CE1 3.76Å; F121-Y181 AromaticContact CD2-CZ 3.93Å; F121-Y181 WeakPolarHBondContact CD2-OH 3.04Å; F121-Y181 HydrophobicContact CE2-CE1 4.26Å; F121-Y181 VanDerWaalsContact CE2-OH 3.24Å; F121-Y181 WeakPolarHBondContact CE2-OH 3.33Å; W135-Y181 AromaticContact CE3-CD1 3.98Å; W135-Y181 HydrophobicContact CE3-CD1 3.98Å; W135-Y181 HydrophobicContact CH2-CD1 4.32Å; W135-Y181 AromaticContact CZ3-CD1 3.64Å; W135-Y181 HydrophobicContact CZ3-CD1 3.64Å; W135-Y181 HydrophobicContact CZ3-CE1 4.38Å; W135-Y181 HydrophobicContact CZ3-CG 4.25Å; R177-Y181 WeakPolarHBondContact O-CB 3.44Å; R177-Y181 PolarHBondContact O-N 3.27Å; K179-Y181 VanDerWaalsContact C-N 3.28Å; K179-Y181 PolarHBondContact O-N 3.43Å; Y181-E185 HydrophobicContact CD2-CB 4Å; Y181-E185 PolarHBondContact O-N 2.86Å; Y181-C186 HydrophobicContact CE1-CB 4.37Å; Y181-C186 HydrophobicContact CE2-CB 4.48Å; Y181-C186 VanDerWaalsContact O-CB 3.28Å; Y181-C186 WeakPolarHBondContact O-CB 3.48Å; Y181-C186 PolarHBondContact O-N 3.12Å
182L98.3Very high97.6Very high3 Ų358.6 Ų58.62%0.01629%0.288CS..Iπ-helixtrans-75-34.1-177.4-66.2-179.5000113.5W135 F147 A178 K179 A180 P187W135-L182 HydrophobicContact CB-CD1 4.19Å; W135-L182 HydrophobicContact CB-CD2 4.35Å; W135-L182 HydrophobicContact CE3-CD1 4.41Å; W135-L182 HydrophobicContact CE3-CD2 4.22Å; W135-L182 HydrophobicContact CE3-CG 4.23Å; F147-L182 HydrophobicContact CD1-CD1 3.78Å; F147-L182 HydrophobicContact CE1-CD1 4.43Å; A178-L182 PolarHBondContact O-N 2.95Å; K179-L182 PolarHBondContact O-N 2.77Å; K179-L182 VanDerWaalsContact O-N 3.14Å; A180-L182 PolarHBondContact O-N 3.25Å; L182-P187 VanDerWaalsContact O-CD 3.31Å; L182-P187 WeakPolarHBondContact O-CD 3.36Å; L182-P187 WeakPolarHBondContact O-CG 3.41Å
183E97.8Very high97.8Very high66 Ų6654.1 Ų54.131%0.30826%0.259SS..Iπ-helixtrans-92.5-26.5-174.6-65.9-172.2161.900113.6K149 K179 A180K149-E183 HydrophobicContact CD-CG 4.09Å; K149-E183 IonicContact NZ-OE1 2.79Å; K149-E183 PolarHBondContact NZ-OE1 3.13Å; K179-E183 WeakPolarHBondContact CE-OE2 3.07Å; K179-E183 HydrophobicContact CG-CG 4.38Å; K179-E183 WeakPolarHBondContact CG-OE2 3.41Å; K179-E183 IonicContact NZ-OE1 2.66Å; K179-E183 PolarHBondContact NZ-OE1 2.97Å; K179-E183 IonicContact NZ-OE2 2.88Å; K179-E183 PolarHBondContact NZ-OE2 3.28Å; K179-E183 PolarHBondContact O-N 3.48Å; A180-E183 PolarHBondContact O-N 3.2Å
184E97.6Very high97.8Very high131 Ų13152 Ų5261%0.61225%0.245SC*.Iπ-helixtrans-120.5-62.9-173-54.5179.4-15900111.7A180 P187 A188A180-E184 WeakPolarHBondContact O-CA 3.4Å; A180-E184 VanDerWaalsContact O-CB 3.28Å; A180-E184 WeakPolarHBondContact O-CB 3.28Å; A180-E184 PolarHBondContact O-N 2.69Å; E184-P187 WeakPolarHBondContact O-CD 3.43Å; E184-A188 WeakPolarHBondContact O-CB 3.43Å; E184-A188 PolarHBondContact O-N 2.85Å
185E98.2Very high97.8Very high106 Ų10655.7 Ų55.750%0.49526%0.263SS..Iπ-helixtrans-67.5-46.5-169.6-59.7-179.7-151.400112.7A180 Y181 A188 T189A180-E185 PolarHBondContact O-N 3.24Å; A180-E185 VanDerWaalsContact O-N 3.16Å; Y181-E185 HydrophobicContact CD2-CB 4Å; Y181-E185 PolarHBondContact O-N 2.86Å; E185-A188 PolarHBondContact O-N 2.98Å; E185-T189 WeakPolarHBondContact O-CB 3.39Å; E185-T189 PolarHBondContact O-N 2.88Å; E185-T189 PolarHBondContact O-OG1 2.79Å
186C98.5Very high97.8Very high0 Ų059.5 Ų59.50%028%0.276CS..Hα-helixtrans-63.5-51.6179.2178.50000111C123 Y181 A188 T189 L190C123-C186 HydrophobicContact CB-CB 3.85Å; C123-C186 WeakPolarHBondContact CB-SG 3.26Å; C123-C186 PolarHBondContact N-SG 2.95Å; C123-C186 WeakPolarHBondContact SG-CB 3.23Å; C123-C186 PolarHBondContact SG-O 3.05Å; C123-C186 VanDerWaalsContact SG-O 3.39Å; C123-C186 CovalentContact SG-SG 2.05Å; C123-C186 PolarHBondContact SG-SG 2.63Å; Y181-C186 HydrophobicContact CE1-CB 4.37Å; Y181-C186 HydrophobicContact CE2-CB 4.48Å; Y181-C186 VanDerWaalsContact O-CB 3.28Å; Y181-C186 WeakPolarHBondContact O-CB 3.48Å; Y181-C186 PolarHBondContact O-N 3.12Å; C186-A188 VanDerWaalsContact C-N 3.3Å; C186-A188 PolarHBondContact O-N 3.19Å; C186-T189 WeakPolarHBondContact O-CB 3.43Å; C186-T189 PolarHBondContact O-N 2.95Å; C186-T189 VanDerWaalsContact O-N 3.15Å; C186-L190 PolarHBondContact O-N 3.43Å
187P98.3Very high97.8Very high1 Ų153.3 Ų53.31%0.00625%0.247CC..Hα-helixtrans-62-34.9176.6-27.137000113.2C123 I125 S130 L182 E184 R191C123-P187 HydrophobicContact CB-CG 4.1Å; I125-P187 HydrophobicContact CG2-CB 4.35Å; S130-P187 WeakPolarHBondContact OG-CG 3.37Å; L182-P187 VanDerWaalsContact O-CD 3.31Å; L182-P187 WeakPolarHBondContact O-CD 3.36Å; L182-P187 WeakPolarHBondContact O-CG 3.41Å; E184-P187 WeakPolarHBondContact O-CD 3.43Å; P187-R191 WeakPolarHBondContact O-CB 3.46Å; P187-R191 VanDerWaalsContact O-CG 3.3Å; P187-R191 WeakPolarHBondContact O-CG 3.34Å; P187-R191 PolarHBondContact O-N 2.84Å; P187-R191 PolarHBondContact O-NH1 2.87Å
188A97.9Very high97.7Very high53 Ų5349.2 Ų49.244%0.43823%0.234SC..Hα-helixtrans-65-42.4174.200000111.8E184 E185 C186 R191 K192E184-A188 WeakPolarHBondContact O-CB 3.43Å; E184-A188 PolarHBondContact O-N 2.85Å; E185-A188 PolarHBondContact O-N 2.98Å; C186-A188 VanDerWaalsContact C-N 3.3Å; C186-A188 PolarHBondContact O-N 3.19Å; A188-R191 PolarHBondContact O-N 2.86Å; A188-K192 PolarHBondContact O-N 3.05Å
189T98.3Very high97.5Very high39 Ų3956 Ų5624%0.23927%0.269CS..Hα-helixtrans-62.6-46.5175.2-57.20000110.9L30 E185 C186 R191 K192 Y193L30-T189 HydrophobicContact CD2-CG2 3.88Å; E185-T189 WeakPolarHBondContact O-CB 3.39Å; E185-T189 PolarHBondContact O-N 2.88Å; E185-T189 PolarHBondContact O-OG1 2.79Å; C186-T189 WeakPolarHBondContact O-CB 3.43Å; C186-T189 PolarHBondContact O-N 2.95Å; C186-T189 VanDerWaalsContact O-N 3.15Å; T189-R191 PolarHBondContact O-N 2.86Å; T189-K192 WeakPolarHBondContact O-CB 3.49Å; T189-K192 PolarHBondContact O-N 2.77Å; T189-K192 VanDerWaalsContact O-N 3.16Å; T189-Y193 HydrophobicContact CG2-CD1 4.46Å; T189-Y193 HydrophobicContact CG2-CD2 4.04Å; T189-Y193 HydrophobicContact CG2-CE1 4.02Å; T189-Y193 HydrophobicContact CG2-CE2 3.54Å; T189-Y193 HydrophobicContact CG2-CG 4.46Å; T189-Y193 WeakPolarHBondContact O-CB 3.45Å; T189-Y193 PolarHBondContact O-N 3.16Å
190L98.3Very high97.3Very high0 Ų054.5 Ų54.50%026%0.263CS..Hα-helixtrans-58-47.5175.1176.753.1000111.1L30 L53 I125 C186 K192 Y193 L194L30-L190 HydrophobicContact CB-CB 4.05Å; L30-L190 HydrophobicContact CB-CD1 4.07Å; L30-L190 HydrophobicContact CB-CD2 4.28Å; L30-L190 HydrophobicContact CB-CG 4.35Å; L30-L190 HydrophobicContact CD2-CB 4.33Å; L53-L190 HydrophobicContact CD2-CD1 3.47Å; L53-L190 VanDerWaalsContact CD2-CD1 3.47Å; I125-L190 HydrophobicContact CB-CD2 4.48Å; I125-L190 HydrophobicContact CD1-CD2 4.33Å; I125-L190 HydrophobicContact CD1-CG 4.28Å; I125-L190 HydrophobicContact CG1-CD2 3.88Å; I125-L190 HydrophobicContact CG1-CG 4.36Å; I125-L190 HydrophobicContact CG2-CD2 4.17Å; C186-L190 PolarHBondContact O-N 3.43Å; L190-K192 VanDerWaalsContact C-N 3.34Å; L190-K192 PolarHBondContact O-N 2.71Å; L190-Y193 PolarHBondContact O-N 2.91Å; L190-L194 HydrophobicContact CD1-CD1 4.24Å; L190-L194 HydrophobicContact CD1-CD2 4.33Å; L190-L194 HydrophobicContact CD1-CG 4.04Å; L190-L194 HydrophobicContact CG-CD1 4.28Å; L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 2.86Å
191R97.3Very high97.2Very high86 Ų8653.7 Ų53.733%0.32526%0.256SS..Hα-helixtrans-60.8-38.8175.7-72.6-178.7-167.398.9-1113.1I125 N128 P187 A188 T189I125-R191 HydrophobicContact CD1-CG 4.06Å; N128-R191 PolarHBondContact O-NH2 2.55Å; N128-R191 PolarHBondContact OD1-NE 3.15Å; P187-R191 WeakPolarHBondContact O-CB 3.46Å; P187-R191 VanDerWaalsContact O-CG 3.3Å; P187-R191 WeakPolarHBondContact O-CG 3.34Å; P187-R191 PolarHBondContact O-N 2.84Å; P187-R191 PolarHBondContact O-NH1 2.87Å; A188-R191 PolarHBondContact O-N 2.86Å; T189-R191 PolarHBondContact O-N 2.86Å
192K97.8Very high97Very high74 Ų7456.2 Ų56.232%0.32227%0.27SS..Hα-helixtrans-59.5-51.8173176.5-166.2173.7-160.70109.7M80 E81 A188 T189 L190 L194 K195 Y196M80-K192 WeakPolarHBondContact O-CE 3.1Å; M80-K192 PolarHBondContact O-NZ 2.95Å; M80-K192 VanDerWaalsContact O-NZ 3.16Å; E81-K192 VanDerWaalsContact CD-NZ 3.34Å; E81-K192 IonicContact OE1-NZ 2.82Å; E81-K192 PolarHBondContact OE1-NZ 3.39Å; E81-K192 IonicContact OE2-NZ 2.69Å; E81-K192 PolarHBondContact OE2-NZ 2.91Å; E81-K192 VanDerWaalsContact OE2-NZ 3.08Å; A188-K192 PolarHBondContact O-N 3.05Å; T189-K192 WeakPolarHBondContact O-CB 3.49Å; T189-K192 PolarHBondContact O-N 2.77Å; T189-K192 VanDerWaalsContact O-N 3.16Å; L190-K192 VanDerWaalsContact C-N 3.34Å; L190-K192 PolarHBondContact O-N 2.71Å; K192-L194 VanDerWaalsContact C-N 3.35Å; K192-L194 PolarHBondContact O-N 3.27Å; K192-K195 WeakPolarHBondContact O-CB 3.4Å; K192-K195 PolarHBondContact O-N 3.27Å; K192-Y196 VanDerWaalsContact O-CD2 3.29Å; K192-Y196 WeakPolarHBondContact O-CD2 3.35Å
193Y98.1Very high96.8Very high4 Ų458 Ų582%0.01628%0.277CS..Hα-helixtrans-62.2-37.1-177.9-73.5-2.4000113.6L30 L53 F58 M80 E81 T189 L190 K195 Y196 S197L30-Y193 HydrophobicContact CD1-CD2 4.29Å; L30-Y193 HydrophobicContact CD1-CE2 4.33Å; L30-Y193 HydrophobicContact CD2-CD2 4.47Å; L30-Y193 HydrophobicContact CD2-CE2 4.45Å; L53-Y193 HydrophobicContact CD1-CD2 4.34Å; L53-Y193 HydrophobicContact CD2-CD2 4.31Å; F58-Y193 HydrophobicContact CE2-CD2 4.27Å; F58-Y193 AromaticContact CE2-CE2 3.68Å; F58-Y193 HydrophobicContact CE2-CE2 3.68Å; F58-Y193 HydrophobicContact CZ-CD2 4.18Å; F58-Y193 AromaticContact CZ-CE2 3.61Å; F58-Y193 HydrophobicContact CZ-CE2 3.61Å; M80-Y193 HydrophobicContact CE-CD1 3.52Å; M80-Y193 HydrophobicContact CE-CD2 3.55Å; M80-Y193 HydrophobicContact CE-CE1 4.07Å; M80-Y193 HydrophobicContact CE-CE2 4.1Å; M80-Y193 HydrophobicContact CE-CG 3.24Å; M80-Y193 HydrophobicContact CG-CD1 3.65Å; M80-Y193 HydrophobicContact CG-CE1 4.06Å; M80-Y193 HydrophobicContact CG-CG 4.32Å; M80-Y193 HydrophobicContact SD-CD1 4.43Å; E81-Y193 HydrophobicContact CB-CE1 4.36Å; E81-Y193 VanDerWaalsContact OE2-CE1 3.25Å; E81-Y193 WeakPolarHBondContact OE2-CE1 3.3Å; E81-Y193 PolarHBondContact OE2-OH 2.92Å; T189-Y193 HydrophobicContact CG2-CD1 4.46Å; T189-Y193 HydrophobicContact CG2-CD2 4.04Å; T189-Y193 HydrophobicContact CG2-CE1 4.02Å; T189-Y193 HydrophobicContact CG2-CE2 3.54Å; T189-Y193 HydrophobicContact CG2-CG 4.46Å; T189-Y193 WeakPolarHBondContact O-CB 3.45Å; T189-Y193 PolarHBondContact O-N 3.16Å; L190-Y193 PolarHBondContact O-N 2.91Å; Y193-K195 PolarHBondContact O-N 3.31Å; Y193-Y196 PolarHBondContact O-N 3.17Å; Y193-S197 VanDerWaalsContact O-CB 3.27Å; Y193-S197 WeakPolarHBondContact O-CB 3.35Å; Y193-S197 PolarHBondContact O-N 3.17Å; Y193-S197 PolarHBondContact O-OG 3.34Å
194L96.8Very high96.7Very high12 Ų1259.4 Ų59.46%0.06328%0.283CS..Hα-helixtrans-61.5-31176.3-70.6175.2000113.1Y28 I125 L190 K192 Y196 S197 K198 L201Y28-L194 HydrophobicContact CD1-CD1 4.38Å; Y28-L194 HydrophobicContact CD1-CD2 3.37Å; Y28-L194 HydrophobicContact CD2-CD1 3.67Å; Y28-L194 HydrophobicContact CD2-CD2 4.16Å; Y28-L194 HydrophobicContact CE1-CD2 3.75Å; Y28-L194 HydrophobicContact CE2-CD1 4.21Å; Y28-L194 HydrophobicContact CE2-CD2 4.48Å; Y28-L194 HydrophobicContact CG-CD1 3.76Å; Y28-L194 HydrophobicContact CG-CD2 3.59Å; Y28-L194 HydrophobicContact CG-CG 4.32Å; I125-L194 HydrophobicContact CD1-CD1 3.49Å; I125-L194 VanDerWaalsContact CD1-CD1 3.49Å; I125-L194 HydrophobicContact CG1-CD1 4.36Å; L190-L194 HydrophobicContact CD1-CD1 4.24Å; L190-L194 HydrophobicContact CD1-CD2 4.33Å; L190-L194 HydrophobicContact CD1-CG 4.04Å; L190-L194 HydrophobicContact CG-CD1 4.28Å; L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 2.86Å; K192-L194 VanDerWaalsContact C-N 3.35Å; K192-L194 PolarHBondContact O-N 3.27Å; L194-Y196 PolarHBondContact O-N 2.84Å; L194-Y196 VanDerWaalsContact O-N 3.15Å; L194-S197 PolarHBondContact O-N 2.86Å; L194-K198 WeakPolarHBondContact O-CG 3.42Å; L194-K198 PolarHBondContact O-N 2.94Å; L194-L201 HydrophobicContact CD2-CD1 3.59Å
195K96.8Very high96.7Very high177 Ų17755.5 Ų55.577%0.7727%0.267SS*.Hα-helixtrans-59.9-26.4174.7-62.5176.2-177.4-179.30113.1K192 Y193K192-K195 WeakPolarHBondContact O-CB 3.4Å; K192-K195 PolarHBondContact O-N 3.27Å; Y193-K195 PolarHBondContact O-N 3.31Å
196Y97.8Very high96.6Very high100 Ų10054 Ų5439%0.39227%0.266SS..Hα-helixtrans-102.3-21179.5-60.6-95.5000112.7V77 G79 M80 K192 Y193 L194V77-Y196 HydrophobicContact CG1-CD1 4.34Å; G79-Y196 PolarHBondContact O-OH 2.96Å; M80-Y196 HydrophobicContact CB-CD1 4.06Å; M80-Y196 HydrophobicContact CB-CD2 4.11Å; M80-Y196 HydrophobicContact CB-CG 3.77Å; M80-Y196 HydrophobicContact CG-CD2 4.21Å; M80-Y196 HydrophobicContact CG-CG 4.17Å; K192-Y196 VanDerWaalsContact O-CD2 3.29Å; K192-Y196 WeakPolarHBondContact O-CD2 3.35Å; Y193-Y196 PolarHBondContact O-N 3.17Å; L194-Y196 PolarHBondContact O-N 2.84Å; L194-Y196 VanDerWaalsContact O-N 3.15Å
197S96.8Very high96.5Very high0 Ų054.4 Ų54.40%027%0.269CS..Hα-helixtrans-112.5-7.4-165.8-47.70000113.9W74 Y193 L194 N199 I200 L201W74-S197 PolarHBondContact NE1-OG 2.9Å; Y193-S197 VanDerWaalsContact O-CB 3.27Å; Y193-S197 WeakPolarHBondContact O-CB 3.35Å; Y193-S197 PolarHBondContact O-N 3.17Å; Y193-S197 PolarHBondContact O-OG 3.34Å; L194-S197 PolarHBondContact O-N 2.86Å; S197-N199 VanDerWaalsContact C-N 3.29Å; S197-N199 PolarHBondContact O-N 2.78Å; S197-I200 WeakPolarHBondContact O-CA 3.37Å; S197-I200 WeakPolarHBondContact O-CB 3.46Å; S197-I200 PolarHBondContact O-N 3.49Å; S197-L201 WeakPolarHBondContact O-CG 3.19Å; S197-L201 PolarHBondContact O-N 3.06Å
198K94.3Very high96.5Very high75 Ų7556.9 Ų56.933%0.32629%0.286SS..Hα-helixtrans-54-42.7-179.7-91.7-168.4169.8-168.20112.8D25 L194 I200 L201 D202D25-K198 IonicContact OD1-NZ 2.97Å; D25-K198 PolarHBondContact OD1-NZ 2.94Å; L194-K198 WeakPolarHBondContact O-CG 3.42Å; L194-K198 PolarHBondContact O-N 2.94Å; K198-I200 PolarHBondContact O-N 3.2Å; K198-L201 PolarHBondContact O-N 3.11Å; K198-D202 WeakPolarHBondContact CG-OD2 3.22Å; K198-D202 VanDerWaalsContact O-CB 3.23Å; K198-D202 WeakPolarHBondContact O-CB 3.42Å; K198-D202 PolarHBondContact O-N 3.35Å
199N93.7Very high96.4Very high151 Ų15155.8 Ų55.881%0.80727%0.274SS*.Hα-helixtrans-63-25.8177.6-67.3-13.1000113.8S197S197-N199 VanDerWaalsContact C-N 3.29Å; S197-N199 PolarHBondContact O-N 2.78Å
200I94.9Very high96.3Very high21 Ų2156.7 Ų56.711%0.10828%0.28CS..Hα-helixtrans-83.8-45.9176.6-66.6165.6000110.1L56 L73 W74 V77 S197 K198 R203L56-I200 HydrophobicContact CD1-CG2 3.75Å; L73-I200 HydrophobicContact CB-CD1 3.83Å; L73-I200 HydrophobicContact CB-CG1 4.19Å; L73-I200 HydrophobicContact CB-CG2 4.24Å; L73-I200 HydrophobicContact CD1-CG1 4.46Å; L73-I200 HydrophobicContact CD1-CG2 3.55Å; W74-I200 HydrophobicContact CD2-CD1 4.25Å; W74-I200 HydrophobicContact CH2-CG2 3.75Å; W74-I200 HydrophobicContact CZ2-CB 4.5Å; W74-I200 HydrophobicContact CZ2-CD1 4.34Å; W74-I200 HydrophobicContact CZ2-CG2 4.04Å; W74-I200 HydrophobicContact CZ3-CG2 4.19Å; V77-I200 HydrophobicContact CG2-CD1 3.93Å; S197-I200 WeakPolarHBondContact O-CA 3.37Å; S197-I200 WeakPolarHBondContact O-CB 3.46Å; S197-I200 PolarHBondContact O-N 3.49Å; K198-I200 PolarHBondContact O-N 3.2Å; I200-R203 VanDerWaalsContact O-CD 3.27Å; I200-R203 WeakPolarHBondContact O-CD 3.42Å; I200-R203 VanDerWaalsContact O-CG 3.31Å; I200-R203 WeakPolarHBondContact O-CG 3.15Å; I200-R203 PolarHBondContact O-NE 2.84Å
201L94.9Very high96.2Very high9 Ų958.4 Ų58.45%0.04729%0.29CS..Hα-helixtrans-82.2-27.6-170.6-62.4172.3000113.6Y28 L53 N54 L56 W74 L194 S197 K198 Y231Y28-L201 HydrophobicContact CD1-CD1 4.21Å; Y28-L201 HydrophobicContact CE1-CB 4.23Å; Y28-L201 HydrophobicContact CE1-CD1 4.47Å; L53-L201 HydrophobicContact CB-CD1 4.14Å; L53-L201 HydrophobicContact CB-CD2 4.03Å; N54-L201 HydrophobicContact CB-CD2 4.38Å; L56-L201 HydrophobicContact CD1-CD2 4.33Å; W74-L201 HydrophobicContact CH2-CD2 4.01Å; W74-L201 HydrophobicContact CZ2-CD2 4.17Å; W74-L201 HydrophobicContact CZ2-CG 4.44Å; L194-L201 HydrophobicContact CD2-CD1 3.59Å; S197-L201 WeakPolarHBondContact O-CG 3.19Å; S197-L201 PolarHBondContact O-N 3.06Å; K198-L201 PolarHBondContact O-N 3.11Å; L201-Y231 WeakPolarHBondContact O-CE1 3.31Å
202D94.9Very high96.1Very high72 Ų7257.7 Ų57.739%0.38530%0.295SS..SBendtrans-98.52.9-177.8-58.5-23.8000112.4Y28 K198Y28-D202 VanDerWaalsContact CE1-OD1 3.26Å; Y28-D202 WeakPolarHBondContact CE1-OD1 3.32Å; Y28-D202 PolarHBondContact OH-OD1 3.04Å; Y28-D202 PolarHBondContact OH-OD2 3.5Å; Y28-D202 VanDerWaalsContact OH-OD2 3.06Å; K198-D202 WeakPolarHBondContact CG-OD2 3.22Å; K198-D202 VanDerWaalsContact O-CB 3.23Å; K198-D202 WeakPolarHBondContact O-CB 3.42Å; K198-D202 PolarHBondContact O-N 3.35Å
203R94.7Very high95.9Very high40 Ų4056.3 Ų56.315%0.15130%0.295CS..  trans-61.7149.9179.575.2-170.1170.2179.7-12.3110.9I200 D205 Y231 G260I200-R203 VanDerWaalsContact O-CD 3.27Å; I200-R203 WeakPolarHBondContact O-CD 3.42Å; I200-R203 VanDerWaalsContact O-CG 3.31Å; I200-R203 WeakPolarHBondContact O-CG 3.15Å; I200-R203 PolarHBondContact O-NE 2.84Å; R203-D205 WeakPolarHBondContact CD-OD2 3.45Å; R203-D205 IonicContact CZ-OD2 3.7Å; R203-D205 IonicContact NE-OD2 2.78Å; R203-D205 PolarHBondContact NE-OD2 3.2Å; R203-D205 IonicContact NH1-OD2 3.43Å; R203-Y231 HydrophobicContact CG-CD1 3.34Å; R203-Y231 HydrophobicContact CG-CE1 4.03Å; R203-Y231 HydrophobicContact CG-CG 3.96Å; R203-Y231 VanDerWaalsContact NE-CG 3.28Å; R203-Y231 WeakPolarHBondContact O-CD1 3.49Å; R203-G260 PolarHBondContact NH2-O 3.22Å
204Q95.6Very high95.5Very high96 Ų9661.8 Ų61.845%0.44932%0.32SS..  trans-126.780.9178.2-74.2-65.8-20.900107.1P206 S285 S286Q204-P206 WeakPolarHBondContact O-CD 3.25Å; Q204-S285 PolarHBondContact OE1-OG 2.99Å; Q204-S286 VanDerWaalsContact C-CB 3.48Å; Q204-S286 WeakPolarHBondContact O-CB 3.28Å; Q204-S286 VanDerWaalsContact OE1-N 3.11Å
205D96Very high95.1Very high49 Ų4967.3 Ų67.326%0.26235%0.346SS..BIsolated β-bridgetrans-85.6120.5-177.7-61.9-19.1000108.3R203 F230 Y231 H284 S286R203-D205 WeakPolarHBondContact CD-OD2 3.45Å; R203-D205 IonicContact CZ-OD2 3.7Å; R203-D205 IonicContact NE-OD2 2.78Å; R203-D205 PolarHBondContact NE-OD2 3.2Å; R203-D205 IonicContact NH1-OD2 3.43Å; D205-F230 WeakPolarHBondContact O-CA 3.48Å; D205-F230 WeakPolarHBondContact O-CB 3.21Å; D205-Y231 PolarHBondContact N-O 3.01Å; D205-Y231 PolarHBondContact O-N 3.32Å; D205-H284 PolarHBondContact O-CE1 3.33Å; D205-S286 PolarHBondContact O-OG 2.73Å; D205-S286 VanDerWaalsContact O-OG 3.06Å
206P97.4Very high94.7Very high75 Ų7559.9 Ų59.949%0.48732%0.317SS..PPolyproline II helixtrans-74.4139.6-17929.8-33.9000112.8Q204 S208 S286 L287Q204-P206 WeakPolarHBondContact O-CD 3.25Å; P206-S208 PolarHBondContact O-N 2.69Å; P206-S286 WeakPolarHBondContact CA-OG 3.31Å; P206-L287 HydrophobicContact CB-CD2 4.02Å
207P97.1Very high94.2Very high8 Ų861.6 Ų61.65%0.05234%0.34CS..PPolyproline II helixtrans-67.2132.7177.426.1-32.9000111.5A227 Y228 F230 I235 V282 H284 L287 L291P207-A227 HydrophobicContact CB-CB 4.13Å; P207-Y228 WeakPolarHBondContact CA-O 3.4Å; P207-F230 HydrophobicContact CB-CB 3.77Å; P207-F230 HydrophobicContact CB-CD1 3.89Å; P207-F230 HydrophobicContact CB-CG 4.06Å; P207-F230 HydrophobicContact CG-CB 4.37Å; P207-I235 HydrophobicContact CB-CD1 4.15Å; P207-I235 HydrophobicContact CG-CD1 4.25Å; P207-V282 HydrophobicContact CB-CG1 4.33Å; P207-V282 HydrophobicContact CG-CG1 3.8Å; P207-H284 HydrophobicContact CG-CB 4.1Å; P207-L287 HydrophobicContact CG-CD1 3.87Å; P207-L287 HydrophobicContact CG-CG 4.4Å; P207-L291 HydrophobicContact CG-CD1 4.35Å
208S96.8Very high93.6Very high53 Ų5366 Ų6637%0.37139%0.386SS..EExtended strand (participates in β ladder)trans-80.2139.9157.3-67.40000109.1P206 A227 Y228P206-S208 PolarHBondContact O-N 2.69Å; S208-A227 CarbonylContact O-C 3.43Å; S208-A227 VanDerWaalsContact O-CA 3.31Å; S208-A227 WeakPolarHBondContact O-CA 3.45Å; S208-Y228 PolarHBondContact N-O 3.43Å; S208-Y228 WeakPolarHBondContact O-CD1 3.49Å; S208-Y228 PolarHBondContact O-N 3.1Å
209V96.5Very high93.3Very high30 Ų3067.3 Ų67.318%0.18239%0.393CS..EExtended strand (participates in β ladder)trans-124127.5-175-175.70000110.3C225 L226 A227 V282 L291 V293V209-C225 VanDerWaalsContact CG1-SG 3.57Å; V209-L226 CarbonylContact C-O 3.58Å; V209-L226 WeakPolarHBondContact CA-O 3.44Å; V209-A227 HydrophobicContact CG2-CB 4.48Å; V209-V282 HydrophobicContact CG1-CG2 4.17Å; V209-V282 HydrophobicContact CG2-CB 4.22Å; V209-V282 HydrophobicContact CG2-CG1 4.41Å; V209-V282 HydrophobicContact CG2-CG2 3.74Å; V209-L291 HydrophobicContact CG2-CD1 3.98Å; V209-V293 HydrophobicContact CB-CG2 3.96Å; V209-V293 HydrophobicContact CG1-CB 4.31Å; V209-V293 HydrophobicContact CG1-CG2 3.74Å
210V96.1Very high93.1Very high59 Ų5965.7 Ų65.736%0.35838%0.379SS..EExtended strand (participates in β ladder)trans-122.5128.7174.9168.70000109.2T212 L226 Y228V210-T212 HydrophobicContact CG1-CG2 3.88Å; V210-L226 PolarHBondContact N-O 3.44Å; V210-L226 PolarHBondContact O-N 3.36Å; V210-Y228 HydrophobicContact CB-CE1 4.34Å; V210-Y228 HydrophobicContact CG2-CE1 3.72Å
211V96.2Very high92.9Very high35 Ų3567.7 Ų67.721%0.21239%0.387CS..EExtended strand (participates in β ladder)trans-102.8130.9171.2171.30000108.9K224 W239 C280 V293V211-K224 CarbonylContact C-O 3.57Å; V211-K224 WeakPolarHBondContact CA-O 3.23Å; V211-W239 HydrophobicContact CG1-CH2 3.66Å; V211-W239 HydrophobicContact CG1-CZ2 4.15Å; V211-W239 HydrophobicContact CG2-CH2 4.06Å; V211-W239 HydrophobicContact CG2-CZ2 4.43Å; V211-C280 HydrophobicContact CG2-CB 4.1Å; V211-V293 HydrophobicContact CB-CG1 4.48Å; V211-V293 HydrophobicContact CG2-CB 4.13Å; V211-V293 HydrophobicContact CG2-CG1 3.71Å
212T95Very high92.9Very high71 Ų7169.9 Ų69.944%0.43640%0.396SS..EExtended strand (participates in β ladder)trans-127.8157.9172.961.60000110.9V210 K224V210-T212 HydrophobicContact CG1-CG2 3.88Å; T212-K224 PolarHBondContact N-O 3.13Å; T212-K224 PolarHBondContact O-N 2.94Å
213S92.9Very high92.9Very high45 Ų4566.7 Ų66.732%0.31538%0.379SS..EExtended strand (participates in β ladder)trans-125.5144.7173.381.70000111.1K222 A297S213-K222 CarbonylContact C-O 3.51Å; S213-K222 VanDerWaalsContact CA-O 3.29Å; S213-K222 WeakPolarHBondContact CA-O 3.14Å; S213-A297 WeakPolarHBondContact OG-CB 3.49Å
214H89.9Confident93Very high120 Ų12068.1 Ų68.156%0.55639%0.386SS*.EExtended strand (participates in β ladder)trans-137.8135176.6176.7-97.8000109.8K222H214-K222 PolarHBondContact N-O 2.94Å; H214-K222 PolarHBondContact O-N 2.83Å
215Q89.9Confident93Very high128 Ų12863.6 Ų63.660%0.59837%0.365SS*.  trans-136.6107.1175.3-174172.516.900109.3K221Q215-K221 HydrophobicContact CB-CB 4.41Å; Q215-K221 HydrophobicContact CG-CB 4.44Å
216A87.6Confident93Very high20 Ų2062.9 Ų62.917%0.16536%0.361CS..  trans-76.4151.5170.800000110.4G218 E219A216-G218 PolarHBondContact O-N 3.06Å; A216-E219 HydrophobicContact CB-CB 4.12Å; A216-E219 HydrophobicContact CB-CG 4.11Å; A216-E219 PolarHBondContact O-N 3.43Å
217P87.3Confident93Very high136 Ų13659.3 Ų59.388%0.88334%0.338SS*.THydrogen-bonded Turntrans-55.4122.5174.7-23.933.8000111.5E219P217-E219 VanDerWaalsContact C-N 3.32Å; P217-E219 PolarHBondContact O-N 3.25Å
218G84.5Confident92.9Very high92 Ų9262.1 Ų62.195%0.94835%0.348SS*.THydrogen-bonded Turntrans83.4-2.5-179.800000115.6A216A216-G218 PolarHBondContact O-N 3.06Å
219E87.9Confident92.9Very high103 Ų10362.7 Ų62.748%0.48135%0.347SS..SBendtrans-104.1161.4178-67.1-171.5-15900113A216 P217A216-E219 HydrophobicContact CB-CB 4.12Å; A216-E219 HydrophobicContact CB-CG 4.11Å; A216-E219 PolarHBondContact O-N 3.43Å; P217-E219 VanDerWaalsContact C-N 3.32Å; P217-E219 PolarHBondContact O-N 3.25Å
220K88.6Confident92.8Very high118 Ų11861.3 Ų61.351%0.51334%0.338SS..  trans-63.7143.7169.4-65.1-179.8-176.1174.20109.4K222 A269K220-K222 PolarHBondContact O-N 3.42Å; K220-A269 HydrophobicContact CB-CB 4.11Å; K220-A269 HydrophobicContact CD-CB 4Å
221K91.8Very high92.8Very high63 Ų6358.7 Ų58.727%0.27432%0.322SS..EExtended strand (participates in β ladder)trans-60.6133.1169.7179.1180-178.1-178.80108.5Q215 V270Q215-K221 HydrophobicContact CB-CB 4.41Å; Q215-K221 HydrophobicContact CG-CB 4.44Å; K221-V270 HydrophobicContact CB-CB 4.36Å; K221-V270 PolarHBondContact O-N 2.81Å
222K94.4Very high92.6Very high55 Ų5558.5 Ų58.524%0.23932%0.322CS..EExtended strand (participates in β ladder)trans-109.5132.2176.3-65.1-174.6-176.2-172.40109.4S213 H214 K220 E249 V267 V268S213-K222 CarbonylContact C-O 3.51Å; S213-K222 VanDerWaalsContact CA-O 3.29Å; S213-K222 WeakPolarHBondContact CA-O 3.14Å; H214-K222 PolarHBondContact N-O 2.94Å; H214-K222 PolarHBondContact O-N 2.83Å; K220-K222 PolarHBondContact O-N 3.42Å; K222-E249 VanDerWaalsContact CE-OE1 3.24Å; K222-E249 WeakPolarHBondContact CE-OE1 3.29Å; K222-E249 IonicContact NZ-OE1 2.72Å; K222-E249 PolarHBondContact NZ-OE1 2.95Å; K222-E249 IonicContact NZ-OE2 3.98Å; K222-V267 HydrophobicContact CB-CG1 3.95Å; K222-V267 HydrophobicContact CD-CG1 4.28Å; K222-V267 HydrophobicContact CG-CG1 4.4Å; K222-V268 WeakPolarHBondContact CA-O 3.33Å
223L95.4Very high92.5Very high4 Ų455.9 Ų55.92%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-103.9127.1171.1-62.4178.2000108.5W239 V267 V268 V270 Y278L223-W239 HydrophobicContact CB-CH2 3.82Å; L223-W239 HydrophobicContact CB-CZ2 3.57Å; L223-W239 HydrophobicContact CB-CZ3 4.43Å; L223-W239 HydrophobicContact CD1-CE3 4.48Å; L223-W239 HydrophobicContact CD1-CH2 4.05Å; L223-W239 HydrophobicContact CD1-CZ3 3.99Å; L223-W239 HydrophobicContact CG-CH2 4.47Å; L223-V267 VanDerWaalsContact O-CA 3.23Å; L223-V267 WeakPolarHBondContact O-CA 3.43Å; L223-V268 HydrophobicContact CB-CG2 4.06Å; L223-V268 PolarHBondContact N-O 2.85Å; L223-V268 PolarHBondContact O-N 2.96Å; L223-V270 HydrophobicContact CD1-CG2 3.6Å; L223-V270 HydrophobicContact CG-CG2 3.64Å; L223-Y278 HydrophobicContact CD1-CD1 4.04Å; L223-Y278 HydrophobicContact CD1-CD2 4.36Å; L223-Y278 HydrophobicContact CD1-CG 3.76Å
224K96.1Very high92.5Very high71 Ų7162.5 Ų62.531%0.30933%0.331SS..EExtended strand (participates in β ladder)trans-110.9130.2174.6-179.3178178.5179.10108.8V211 T212 V266 V267V211-K224 CarbonylContact C-O 3.57Å; V211-K224 WeakPolarHBondContact CA-O 3.23Å; T212-K224 PolarHBondContact N-O 3.13Å; T212-K224 PolarHBondContact O-N 2.94Å; K224-V266 WeakPolarHBondContact CA-O 3.07Å; K224-V267 HydrophobicContact CB-CG2 3.88Å; K224-V267 HydrophobicContact CD-CG2 4.38Å; K224-V267 HydrophobicContact CG-CG2 3.86Å
225C96.5Very high92.8Very high0 Ų058.3 Ų58.30%031%0.313CS..EExtended strand (participates in β ladder)trans-109.2128.2166.3-174.20000108.8V209 V237 W239 W265 V266 C280V209-C225 VanDerWaalsContact CG1-SG 3.57Å; C225-V237 HydrophobicContact CB-CG1 4.46Å; C225-W239 HydrophobicContact CB-CZ2 3.73Å; C225-W265 CarbonylContact O-C 3.51Å; C225-W265 WeakPolarHBondContact O-CA 3.01Å; C225-W265 WeakPolarHBondContact O-CB 3.36Å; C225-V266 PolarHBondContact N-O 3Å; C225-V266 PolarHBondContact O-N 3.06Å; C225-C280 HydrophobicContact CB-CB 3.57Å; C225-C280 WeakPolarHBondContact CB-SG 3.34Å; C225-C280 WeakPolarHBondContact SG-CB 3.39Å; C225-C280 CovalentContact SG-SG 2Å; C225-C280 PolarHBondContact SG-SG 2.91Å
226L96.1Very high93.1Very high35 Ų3555.2 Ų55.218%0.18330%0.3CS..EExtended strand (participates in β ladder)trans-120.5117.7177.9172.666.4000108.8V209 V210 Y228 Q263 W265V209-L226 CarbonylContact C-O 3.58Å; V209-L226 WeakPolarHBondContact CA-O 3.44Å; V210-L226 PolarHBondContact N-O 3.44Å; V210-L226 PolarHBondContact O-N 3.36Å; L226-Y228 HydrophobicContact CD2-CD1 4.36Å; L226-Y228 HydrophobicContact CG-CD1 4.16Å; L226-Q263 HydrophobicContact CD1-CB 4.35Å; L226-W265 HydrophobicContact CB-CB 4.28Å; L226-W265 HydrophobicContact CD1-CB 3.86Å; L226-W265 HydrophobicContact CD1-CG 4.41Å
227A96.5Very high93.5Very high0 Ų054.5 Ų54.50%029%0.294CS..EExtended strand (participates in β ladder)trans-96.1133.8164.800000108.9P207 S208 V209 F230 I235 V237 Q263 S264 V282P207-A227 HydrophobicContact CB-CB 4.13Å; S208-A227 CarbonylContact O-C 3.43Å; S208-A227 VanDerWaalsContact O-CA 3.31Å; S208-A227 WeakPolarHBondContact O-CA 3.45Å; V209-A227 HydrophobicContact CG2-CB 4.48Å; A227-F230 HydrophobicContact CB-CD1 4.43Å; A227-F230 HydrophobicContact CB-CE1 4.17Å; A227-I235 HydrophobicContact CB-CD1 3.78Å; A227-V237 HydrophobicContact CB-CG2 3.96Å; A227-Q263 CarbonylContact O-C 3.51Å; A227-Q263 VanDerWaalsContact O-CA 3.3Å; A227-Q263 WeakPolarHBondContact O-CA 2.95Å; A227-S264 PolarHBondContact N-O 2.89Å; A227-S264 PolarHBondContact O-N 3.28Å; A227-V282 HydrophobicContact CB-CG1 4.27Å; A227-V282 HydrophobicContact CB-CG2 4.45Å
228Y95.7Very high93.9Very high67 Ų6749.6 Ų49.626%0.26326%0.259SS..EExtended strand (participates in β ladder)trans-148.8167-177.566.8-80000112P207 S208 V210 L226 F230 Y262P207-Y228 WeakPolarHBondContact CA-O 3.4Å; S208-Y228 PolarHBondContact N-O 3.43Å; S208-Y228 WeakPolarHBondContact O-CD1 3.49Å; S208-Y228 PolarHBondContact O-N 3.1Å; V210-Y228 HydrophobicContact CB-CE1 4.34Å; V210-Y228 HydrophobicContact CG2-CE1 3.72Å; L226-Y228 HydrophobicContact CD2-CD1 4.36Å; L226-Y228 HydrophobicContact CG-CD1 4.16Å; Y228-F230 VanDerWaalsContact C-N 3.29Å; Y228-F230 PolarHBondContact O-N 2.91Å; Y228-Y262 CarbonylContact C-O 3.48Å; Y228-Y262 WeakPolarHBondContact CA-O 3.42Å
229D95.2Very high94.6Very high65 Ų6545.2 Ų45.235%0.34821%0.214SC..EExtended strand (participates in β ladder)trans58.833.9-179.5-70.1-28.5000114.8T261 Y262D229-T261 PolarHBondContact OD1-OG1 2Å; D229-T261 VanDerWaalsContact OD1-OG1 3.1Å; D229-Y262 PolarHBondContact N-O 2.86Å; D229-Y262 VanDerWaalsContact N-O 3.09Å
230F95.4Very high95Very high0 Ų040.7 Ų40.70%019%0.193CC..EExtended strand (participates in β ladder)trans-110158.2175.765.1-85.9000113.3D205 P207 A227 Y228 P232 I235 T261 Y262 H284D205-F230 WeakPolarHBondContact O-CA 3.48Å; D205-F230 WeakPolarHBondContact O-CB 3.21Å; P207-F230 HydrophobicContact CB-CB 3.77Å; P207-F230 HydrophobicContact CB-CD1 3.89Å; P207-F230 HydrophobicContact CB-CG 4.06Å; P207-F230 HydrophobicContact CG-CB 4.37Å; A227-F230 HydrophobicContact CB-CD1 4.43Å; A227-F230 HydrophobicContact CB-CE1 4.17Å; Y228-F230 VanDerWaalsContact C-N 3.29Å; Y228-F230 PolarHBondContact O-N 2.91Å; F230-P232 WeakPolarHBondContact CD2-O 3.34Å; F230-I235 HydrophobicContact CD1-CD1 3.85Å; F230-I235 HydrophobicContact CD2-CB 4.37Å; F230-I235 HydrophobicContact CD2-CD1 3.93Å; F230-I235 HydrophobicContact CE1-CD1 3.65Å; F230-I235 HydrophobicContact CE2-CB 3.67Å; F230-I235 HydrophobicContact CE2-CD1 3.73Å; F230-I235 HydrophobicContact CE2-CG1 4.29Å; F230-I235 HydrophobicContact CE2-CG2 3.74Å; F230-I235 HydrophobicContact CG-CD1 4Å; F230-I235 HydrophobicContact CZ-CB 3.95Å; F230-I235 HydrophobicContact CZ-CD1 3.6Å; F230-I235 HydrophobicContact CZ-CG1 4.39Å; F230-I235 HydrophobicContact CZ-CG2 3.56Å; F230-T261 CarbonylContact O-C 3.59Å; F230-T261 WeakPolarHBondContact O-CA 3.39Å; F230-Y262 WeakPolarHBondContact CD1-O 3.31Å; F230-Y262 VanDerWaalsContact CE1-O 3.29Å; F230-Y262 WeakPolarHBondContact CE1-O 3.39Å; F230-Y262 VanDerWaalsContact CE2-CB 3.5Å; F230-Y262 HydrophobicContact CE2-CG 4.38Å; F230-Y262 VanDerWaalsContact CZ-CB 3.47Å; F230-Y262 PolarHBondContact O-N 2.82Å; F230-H284 AromaticContact CD2-CD2 3.7Å; F230-H284 AromaticContact CD2-NE2 3.58Å
231Y95.1Very high95.3Very high5 Ų539.7 Ų39.72%0.0219%0.186CC..BIsolated β-bridgetrans-154.6138.6170.9-176.2-86000108.6D55 L56 L201 R203 D205 G260 Y262 H284D55-Y231 WeakPolarHBondContact OD1-CE2 3.35Å; D55-Y231 PolarHBondContact OD1-OH 3.39Å; L56-Y231 HydrophobicContact CD1-CE2 3.87Å; L56-Y231 HydrophobicContact CD2-CD2 4.45Å; L56-Y231 HydrophobicContact CD2-CE2 3.86Å; L56-Y231 HydrophobicContact CG-CE2 3.91Å; L201-Y231 WeakPolarHBondContact O-CE1 3.31Å; R203-Y231 HydrophobicContact CG-CD1 3.34Å; R203-Y231 HydrophobicContact CG-CE1 4.03Å; R203-Y231 HydrophobicContact CG-CG 3.96Å; R203-Y231 VanDerWaalsContact NE-CG 3.28Å; R203-Y231 WeakPolarHBondContact O-CD1 3.49Å; D205-Y231 PolarHBondContact N-O 3.01Å; D205-Y231 PolarHBondContact O-N 3.32Å; Y231-G260 WeakPolarHBondContact CD2-O 3.43Å; Y231-Y262 AromaticContact CD2-CD2 3.99Å; Y231-Y262 HydrophobicContact CD2-CD2 3.99Å; Y231-Y262 AromaticContact CD2-CE2 3.56Å; Y231-Y262 HydrophobicContact CD2-CE2 3.56Å; Y231-Y262 AromaticContact CE2-CE2 3.83Å; Y231-Y262 HydrophobicContact CE2-CE2 3.83Å; Y231-H284 PolarHBondContact O-CE1 2.94Å; Y231-H284 VanDerWaalsContact O-CE1 3.28Å
232P93.9Very high95.4Very high31 Ų3142.4 Ų42.420%0.20120%0.204CC..SBendcis-75.2170.55.331.6-37.5000114.7F230 K234 H284 S285F230-P232 WeakPolarHBondContact CD2-O 3.34Å; P232-K234 PolarHBondContact O-N 3.13Å; P232-K234 VanDerWaalsContact O-N 3.11Å; P232-H284 PolarHBondContact O-NE2 2.85Å; P232-S285 WeakPolarHBondContact CD-OG 3.23Å
233G92.3Very high95.2Very high15 Ų1542.8 Ų42.816%0.15522%0.223CC..SBendtrans-67.5-12.3-174.700000116.1I235G233-I235 PolarHBondContact O-N 3.39Å
234K93.2Very high95.2Very high185 Ų18549.9 Ų49.980%0.80425%0.254SS*.  trans-75.9106.6179.9-174.3-179.5178.8-178.40110.6P232 H284P232-K234 PolarHBondContact O-N 3.13Å; P232-K234 VanDerWaalsContact O-N 3.11Å; K234-H284 PolarHBondContact O-CD2 3.42Å
235I94.9Very high95.2Very high31 Ų3150.9 Ų50.916%0.15927%0.266CS..EExtended strand (participates in β ladder)trans-135.8151.7-179.6-163.5165000110.9P207 A227 F230 G233 V237 V282 Q283 H284P207-I235 HydrophobicContact CB-CD1 4.15Å; P207-I235 HydrophobicContact CG-CD1 4.25Å; A227-I235 HydrophobicContact CB-CD1 3.78Å; F230-I235 HydrophobicContact CD1-CD1 3.85Å; F230-I235 HydrophobicContact CD2-CB 4.37Å; F230-I235 HydrophobicContact CD2-CD1 3.93Å; F230-I235 HydrophobicContact CE1-CD1 3.65Å; F230-I235 HydrophobicContact CE2-CB 3.67Å; F230-I235 HydrophobicContact CE2-CD1 3.73Å; F230-I235 HydrophobicContact CE2-CG1 4.29Å; F230-I235 HydrophobicContact CE2-CG2 3.74Å; F230-I235 HydrophobicContact CG-CD1 4Å; F230-I235 HydrophobicContact CZ-CB 3.95Å; F230-I235 HydrophobicContact CZ-CD1 3.6Å; F230-I235 HydrophobicContact CZ-CG1 4.39Å; F230-I235 HydrophobicContact CZ-CG2 3.56Å; G233-I235 PolarHBondContact O-N 3.39Å; I235-V237 HydrophobicContact CD1-CG2 3.99Å; I235-V237 HydrophobicContact CG1-CG2 3.94Å; I235-V237 HydrophobicContact CG2-CG2 4.23Å; I235-V282 HydrophobicContact CD1-CG1 3.7Å; I235-V282 HydrophobicContact CG1-CG1 4.05Å; I235-Q283 WeakPolarHBondContact CG1-O 3.35Å; I235-H284 HydrophobicContact CD1-CB 4.4Å; I235-H284 HydrophobicContact CG1-CB 4.16Å
236D95.9Very high95.2Very high64 Ų6453.5 Ų53.534%0.34228%0.278SS..EExtended strand (participates in β ladder)trans-114.2123.2164.317629.5000109.3H238 V282 Q283D236-H238 IonicContact OD1-ND1 3.27Å; D236-H238 PolarHBondContact OD1-ND1 3.25Å; D236-H238 IonicContact OD2-CE1 3.25Å; D236-H238 PolarHBondContact OD2-CE1 3.27Å; D236-H238 VanDerWaalsContact OD2-CE1 3.25Å; D236-H238 IonicContact OD2-ND1 3.02Å; D236-H238 PolarHBondContact OD2-ND1 3.02Å; D236-V282 CarbonylContact O-C 3.4Å; D236-V282 WeakPolarHBondContact O-CA 3.31Å; D236-Q283 HydrophobicContact CB-CB 4.29Å; D236-Q283 PolarHBondContact N-O 3.46Å; D236-Q283 PolarHBondContact O-N 3.44Å
237V96.5Very high95.1Very high4 Ų459.9 Ų59.92%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-128122.5177.9-177.10000107.5C225 A227 I235 V266 Y281 V282C225-V237 HydrophobicContact CB-CG1 4.46Å; A227-V237 HydrophobicContact CB-CG2 3.96Å; I235-V237 HydrophobicContact CD1-CG2 3.99Å; I235-V237 HydrophobicContact CG1-CG2 3.94Å; I235-V237 HydrophobicContact CG2-CG2 4.23Å; V237-V266 HydrophobicContact CB-CG2 4.12Å; V237-V266 HydrophobicContact CG1-CB 4.38Å; V237-V266 HydrophobicContact CG1-CG2 3.97Å; V237-V266 VanDerWaalsContact O-CG2 3.31Å; V237-V266 WeakPolarHBondContact O-CG2 3.31Å; V237-Y281 WeakPolarHBondContact CA-O 3.36Å; V237-V282 HydrophobicContact CG1-CG2 4.28Å; V237-V282 HydrophobicContact CG2-CG1 4.35Å; V237-V282 HydrophobicContact CG2-CG2 4.29Å
238H96.8Very high95Very high34 Ų3461.8 Ų61.816%0.15732%0.319CS..EExtended strand (participates in β ladder)trans-151.7158.6178.359.6-95000112.5D236 V245 Y281D236-H238 IonicContact OD1-ND1 3.27Å; D236-H238 PolarHBondContact OD1-ND1 3.25Å; D236-H238 IonicContact OD2-CE1 3.25Å; D236-H238 PolarHBondContact OD2-CE1 3.27Å; D236-H238 VanDerWaalsContact OD2-CE1 3.25Å; D236-H238 IonicContact OD2-ND1 3.02Å; D236-H238 PolarHBondContact OD2-ND1 3.02Å; H238-V245 HydrophobicContact CB-CG1 4.46Å; H238-Y281 PolarHBondContact N-O 2.87Å; H238-Y281 WeakPolarHBondContact NE2-CB 3.21Å; H238-Y281 AromaticContact NE2-CG 3.91Å; H238-Y281 PolarHBondContact O-N 3Å
239W97.6Very high94.8Very high0 Ų063.4 Ų63.40%033%0.329CS..EExtended strand (participates in β ladder)trans-94.5145.4173.6-80.698.9000110.5V211 L223 C225 V245 Q246 V266 V268 Y278 S279 C280V211-W239 HydrophobicContact CG1-CH2 3.66Å; V211-W239 HydrophobicContact CG1-CZ2 4.15Å; V211-W239 HydrophobicContact CG2-CH2 4.06Å; V211-W239 HydrophobicContact CG2-CZ2 4.43Å; L223-W239 HydrophobicContact CB-CH2 3.82Å; L223-W239 HydrophobicContact CB-CZ2 3.57Å; L223-W239 HydrophobicContact CB-CZ3 4.43Å; L223-W239 HydrophobicContact CD1-CE3 4.48Å; L223-W239 HydrophobicContact CD1-CH2 4.05Å; L223-W239 HydrophobicContact CD1-CZ3 3.99Å; L223-W239 HydrophobicContact CG-CH2 4.47Å; C225-W239 HydrophobicContact CB-CZ2 3.73Å; W239-V245 WeakPolarHBondContact O-CA 3.33Å; W239-Q246 HydrophobicContact CB-CB 4.26Å; W239-Q246 PolarHBondContact O-N 3.09Å; W239-V266 PolarHBondContact NE1-O 2.87Å; W239-V266 VanDerWaalsContact NE1-O 3.14Å; W239-V268 HydrophobicContact CB-CG1 3.74Å; W239-V268 HydrophobicContact CB-CG2 4Å; W239-V268 HydrophobicContact CD2-CG2 3.86Å; W239-V268 HydrophobicContact CG-CB 4.36Å; W239-V268 HydrophobicContact CG-CG1 3.86Å; W239-V268 HydrophobicContact CG-CG2 3.57Å; W239-Y278 HydrophobicContact CE3-CD1 4.35Å; W239-S279 VanDerWaalsContact CE3-C 3.43Å; W239-C280 HydrophobicContact CD2-CB 4.46Å; W239-C280 HydrophobicContact CE3-CB 4.36Å; W239-C280 HydrophobicContact CH2-CB 4.18Å; W239-C280 HydrophobicContact CZ2-CB 4.29Å; W239-C280 HydrophobicContact CZ3-CB 4.22Å
240T97.1Very high94.7Very high8 Ų865 Ų655%0.04934%0.337CS..EExtended strand (participates in β ladder)trans-119.9149.2164.962.10000110.3K244 V245 Y278 S279 Y281T240-K244 CarbonylContact C-O 3.57Å; T240-K244 WeakPolarHBondContact CA-O 3.29Å; T240-V245 HydrophobicContact CG2-CG2 4.39Å; T240-Y278 VanDerWaalsContact O-CA 3.26Å; T240-Y278 WeakPolarHBondContact O-CA 3.46Å; T240-S279 PolarHBondContact N-O 2.55Å; T240-S279 PolarHBondContact O-N 2.99Å; T240-S279 PolarHBondContact OG1-O 3.36Å; T240-Y281 HydrophobicContact CG2-CD2 3.6Å; T240-Y281 HydrophobicContact CG2-CE2 3.7Å; T240-Y281 HydrophobicContact CG2-CG 4.33Å; T240-Y281 WeakPolarHBondContact OG1-CD2 3.47Å; T240-Y281 WeakPolarHBondContact OG1-CE2 3.26Å
241R95.6Very high94.5Very high97 Ų9771.8 Ų71.837%0.36636%0.363SS..EExtended strand (participates in β ladder)trans-124.4115.9171.4-179.3-166.2-178.5-134.2-4107.4G243 K244 Q246 D274 A276 P277 Y278R241-G243 PolarHBondContact O-N 2.88Å; R241-K244 PolarHBondContact N-O 3.19Å; R241-K244 PolarHBondContact O-N 3.17Å; R241-Q246 HydrophobicContact CB-CG 3.75Å; R241-D274 IonicContact CZ-OD1 3.36Å; R241-D274 IonicContact CZ-OD2 3.25Å; R241-D274 VanDerWaalsContact CZ-OD2 3.25Å; R241-D274 VanDerWaalsContact NE-CG 3.29Å; R241-D274 IonicContact NE-OD1 3.14Å; R241-D274 PolarHBondContact NE-OD1 2.83Å; R241-D274 VanDerWaalsContact NE-OD1 3.14Å; R241-D274 IonicContact NE-OD2 2.69Å; R241-D274 PolarHBondContact NE-OD2 2.85Å; R241-D274 IonicContact NH2-OD1 2.73Å; R241-D274 PolarHBondContact NH2-OD1 2.99Å; R241-D274 IonicContact NH2-OD2 3.28Å; R241-D274 PolarHBondContact NH2-OD2 3.14Å; R241-A276 HydrophobicContact CG-CB 3.63Å; R241-P277 WeakPolarHBondContact CA-O 3.3Å; R241-Y278 HydrophobicContact CB-CD1 4.2Å; R241-Y278 HydrophobicContact CB-CE1 3.86Å; R241-Y278 HydrophobicContact CB-CE2 4.47Å; R241-Y278 WeakPolarHBondContact CD-OH 3.17Å; R241-Y278 HydrophobicContact CG-CD2 4.44Å; R241-Y278 HydrophobicContact CG-CE1 4.08Å; R241-Y278 HydrophobicContact CG-CE2 3.88Å
242D92.9Very high93.9Very high120 Ų12072 Ų7264%0.64237%0.366SS*.THydrogen-bonded Turntrans50.943.4-175.9-15624.4000112.4K244 A276 P277D242-K244 VanDerWaalsContact C-N 3.28Å; D242-K244 PolarHBondContact O-N 2.91Å; D242-A276 HydrophobicContact CB-CB 4.45Å; D242-P277 PolarHBondContact N-O 2.92Å
243G90.1Very high93Very high62 Ų6278.5 Ų78.564%0.63939%0.394SS*.THydrogen-bonded Turntrans77.1-2.5-17800000116R241R241-G243 PolarHBondContact O-N 2.88Å
244K95.3Very high92.2Very high153 Ų15380.9 Ų80.967%0.66541%0.405SS*.EExtended strand (participates in β ladder)trans-99.1127.8178.9-63.4-179.9-177.4175.50111.7T240 R241 D242 Q246T240-K244 CarbonylContact C-O 3.57Å; T240-K244 WeakPolarHBondContact CA-O 3.29Å; R241-K244 PolarHBondContact N-O 3.19Å; R241-K244 PolarHBondContact O-N 3.17Å; D242-K244 VanDerWaalsContact C-N 3.28Å; D242-K244 PolarHBondContact O-N 2.91Å; K244-Q246 PolarHBondContact O-N 2.88Å; K244-Q246 PolarHBondContact O-NE2 2.93Å
245V96.9Very high91.3Very high93 Ų9376.5 Ų76.556%0.56439%0.39SS*.EExtended strand (participates in β ladder)trans-55.7135.9175.8-178.50000110.4H238 W239 T240H238-V245 HydrophobicContact CB-CG1 4.46Å; W239-V245 WeakPolarHBondContact O-CA 3.33Å; T240-V245 HydrophobicContact CG2-CG2 4.39Å
246Q95.9Very high90.5Very high55 Ų5579.3 Ų79.326%0.25740%0.402SS..EExtended strand (participates in β ladder)trans-106.7138.5178.8-61.4-55.2-70.800110.4W239 R241 K244 V268 Y278W239-Q246 HydrophobicContact CB-CB 4.26Å; W239-Q246 PolarHBondContact O-N 3.09Å; R241-Q246 HydrophobicContact CB-CG 3.75Å; K244-Q246 PolarHBondContact O-N 2.88Å; K244-Q246 PolarHBondContact O-NE2 2.93Å; Q246-V268 HydrophobicContact CB-CG1 4.04Å; Q246-Y278 HydrophobicContact CG-CE1 4.38Å
247E94.4Very high89.7Confident169 Ų16977.9 Ų77.979%0.7940%0.395SS*.  trans-68.5131.4170-69.4-57.2146.800109.9
248P94.1Very high88.8Confident39 Ų3986 Ų8625%0.25343%0.433SS..  trans-73139.3-179.232.4-36.3000111.2L250 V266 V267P248-L250 VanDerWaalsContact C-N 3.32Å; P248-V266 HydrophobicContact CB-CG1 3.43Å; P248-V266 VanDerWaalsContact CB-CG1 3.43Å; P248-V266 HydrophobicContact CG-CG1 4.43Å; P248-V267 WeakPolarHBondContact CA-O 3.39Å
249E91.9Very high88.2Confident102 Ų10288 Ų8848%0.47744%0.444SS..SBendtrans-70.7-37.5166-176.7-175.5145.800109.9K222 V267 A269K222-E249 VanDerWaalsContact CE-OE1 3.24Å; K222-E249 WeakPolarHBondContact CE-OE1 3.29Å; K222-E249 IonicContact NZ-OE1 2.72Å; K222-E249 PolarHBondContact NZ-OE1 2.95Å; K222-E249 IonicContact NZ-OE2 3.98Å; E249-V267 PolarHBondContact N-O 2.91Å; E249-A269 VanDerWaalsContact OE2-CB 3.22Å; E249-A269 WeakPolarHBondContact OE2-CB 3.46Å
250L92.3Very high87.6Confident98 Ų9888.2 Ų88.251%0.51345%0.446SS..EExtended strand (participates in β ladder)trans-147.8139.4-179.6-16865000110.2P248 W265 V267P248-L250 VanDerWaalsContact C-N 3.32Å; L250-W265 HydrophobicContact CB-CH2 4.41Å; L250-W265 HydrophobicContact CB-CZ3 4.07Å; L250-W265 HydrophobicContact CD2-CH2 3.41Å; L250-W265 VanDerWaalsContact CD2-CH2 3.41Å; L250-W265 HydrophobicContact CD2-CZ3 3.74Å; L250-W265 HydrophobicContact CG-CH2 3.5Å; L250-W265 HydrophobicContact CG-CZ3 3.65Å; L250-V267 HydrophobicContact CB-CB 4.23Å; L250-V267 PolarHBondContact N-O 3.47Å; L250-V267 PolarHBondContact O-N 2.88Å
251R91.6Very high87.4Confident143 Ų14388.3 Ų88.354%0.5445%0.447SS..EExtended strand (participates in β ladder)trans-130.2133.2175.7173.9176.3-76.1173.6-5.8108.7V266R251-V266 HydrophobicContact CG-CG2 4.27Å
252G82.9Confident87.4Confident9 Ų984.5 Ų84.59%0.09343%0.433CS..  trans-79.4144.2170.800000111.6W265G252-W265 PolarHBondContact N-O 2.85Å
253E74.8Confident87.5Confident167 Ų16781.5 Ų81.578%0.7842%0.415SS*.  trans-61.6153.9162.3-65.2-176.4175.200110.1L255E253-L255 PolarHBondContact O-N 3.48Å; E253-L255 VanDerWaalsContact O-N 3.11Å
254V75.2Confident87.7Confident66 Ų6679 Ų7940%0.439%0.388SS..  trans-70.8106.4176.7173.50000108.2Y262 Q263V254-Y262 HydrophobicContact CG1-CD1 3.28Å; V254-Y262 HydrophobicContact CG1-CE1 4.03Å; V254-Y262 HydrophobicContact CG1-CG 3.86Å; V254-Q263 CarbonylContact C-O 3.58Å; V254-Q263 VanDerWaalsContact CA-O 3.31Å; V254-Q263 WeakPolarHBondContact CA-O 3.04Å
255L75Confident87.7Confident93 Ų9374.1 Ų74.149%0.48737%0.365SS..EExtended strand (participates in β ladder)trans-86.3131.1-177.9-63.2177000109.9E253 Y262 Q263E253-L255 PolarHBondContact O-N 3.48Å; E253-L255 VanDerWaalsContact O-N 3.11Å; L255-Y262 CarbonylContact O-C 3.58Å; L255-Y262 VanDerWaalsContact O-CA 3.29Å; L255-Y262 WeakPolarHBondContact O-CA 3.39Å; L255-Q263 PolarHBondContact N-O 3.25Å; L255-Q263 PolarHBondContact O-N 2.85Å
256H78.6Confident87.7Confident89 Ų8969.8 Ų69.841%0.41234%0.339SS..EExtended strand (participates in β ladder)trans-90.6122.3175.5-178.8-120.9000110.2L56 G260 Y262L56-H256 WeakPolarHBondContact CD2-NE2 3.29Å; H256-G260 WeakPolarHBondContact NE2-CA 3.05Å; H256-Y262 HydrophobicContact CB-CD1 4.24Å; H256-Y262 HydrophobicContact CB-CE1 3.84Å; H256-Y262 AromaticContact CD2-CE1 3.76Å; H256-Y262 AromaticContact CD2-CZ 3.71Å
257N78.3Confident87.7Confident34 Ų3467.9 Ų67.918%0.18233%0.331CS..PPolyproline II helixtrans-83.9154.6175.4-64.6-37.2000110.4N259 G260 T261 Q263N257-N259 WeakPolarHBondContact CB-OD1 3.39Å; N257-N259 PolarHBondContact O-N 3.02Å; N257-N259 VanDerWaalsContact O-N 3.13Å; N257-G260 PolarHBondContact O-N 3.38Å; N257-T261 WeakPolarHBondContact CB-O 3.47Å; N257-T261 PolarHBondContact N-O 2.88Å; N257-T261 PolarHBondContact ND2-OG1 2.92Å; N257-Q263 PolarHBondContact ND2-NE2 2.98Å; N257-Q263 PolarHBondContact OD1-NE2 3.14Å
258E77.9Confident87.8Confident175 Ų17560 Ų6082%0.81829%0.294SS*.THydrogen-bonded Turntrans-62-22.6178.9-65.4-166.9166.800114.2G260E258-G260 PolarHBondContact O-N 2.85Å
259N83Confident87.8Confident76 Ų7659.6 Ų59.641%0.40629%0.294SS..THydrogen-bonded Turntrans-79.11.5175.166.5-1.7000113N257 T261N257-N259 WeakPolarHBondContact CB-OD1 3.39Å; N257-N259 PolarHBondContact O-N 3.02Å; N257-N259 VanDerWaalsContact O-N 3.13Å; N259-T261 PolarHBondContact ND2-OG1 3.11Å; N259-T261 PolarHBondContact OD1-N 3.05Å; N259-T261 PolarHBondContact OD1-OG1 2.82Å
260G86.8Confident87.9Confident4 Ų455.4 Ų55.44%0.04128%0.275CS..SBendtrans84.64.8-179.600000114.9R203 Y231 H256 N257 E258R203-G260 PolarHBondContact NH2-O 3.22Å; Y231-G260 WeakPolarHBondContact CD2-O 3.43Å; H256-G260 WeakPolarHBondContact NE2-CA 3.05Å; N257-G260 PolarHBondContact O-N 3.38Å; E258-G260 PolarHBondContact O-N 2.85Å
261T93.1Very high87.8Confident10 Ų1053.3 Ų53.36%0.06127%0.268CS..  trans-93169176.570.70000111.6D229 F230 N257 N259D229-T261 PolarHBondContact OD1-OG1 2Å; D229-T261 VanDerWaalsContact OD1-OG1 3.1Å; F230-T261 CarbonylContact O-C 3.59Å; F230-T261 WeakPolarHBondContact O-CA 3.39Å; N257-T261 WeakPolarHBondContact CB-O 3.47Å; N257-T261 PolarHBondContact N-O 2.88Å; N257-T261 PolarHBondContact ND2-OG1 2.92Å; N259-T261 PolarHBondContact ND2-OG1 3.11Å; N259-T261 PolarHBondContact OD1-N 3.05Å; N259-T261 PolarHBondContact OD1-OG1 2.82Å
262Y93.9Very high87.5Confident17 Ų1752 Ų527%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-115.5157-178.2-70.4-78.5000112.7D55 Y228 D229 F230 Y231 V254 L255 H256D55-Y262 WeakPolarHBondContact CB-OH 3.4Å; D55-Y262 PolarHBondContact OD2-OH 2.95Å; Y228-Y262 CarbonylContact C-O 3.48Å; Y228-Y262 WeakPolarHBondContact CA-O 3.42Å; D229-Y262 PolarHBondContact N-O 2.86Å; D229-Y262 VanDerWaalsContact N-O 3.09Å; F230-Y262 WeakPolarHBondContact CD1-O 3.31Å; F230-Y262 VanDerWaalsContact CE1-O 3.29Å; F230-Y262 WeakPolarHBondContact CE1-O 3.39Å; F230-Y262 VanDerWaalsContact CE2-CB 3.5Å; F230-Y262 HydrophobicContact CE2-CG 4.38Å; F230-Y262 VanDerWaalsContact CZ-CB 3.47Å; F230-Y262 PolarHBondContact O-N 2.82Å; Y231-Y262 AromaticContact CD2-CD2 3.99Å; Y231-Y262 HydrophobicContact CD2-CD2 3.99Å; Y231-Y262 AromaticContact CD2-CE2 3.56Å; Y231-Y262 HydrophobicContact CD2-CE2 3.56Å; Y231-Y262 AromaticContact CE2-CE2 3.83Å; Y231-Y262 HydrophobicContact CE2-CE2 3.83Å; V254-Y262 HydrophobicContact CG1-CD1 3.28Å; V254-Y262 HydrophobicContact CG1-CE1 4.03Å; V254-Y262 HydrophobicContact CG1-CG 3.86Å; L255-Y262 CarbonylContact O-C 3.58Å; L255-Y262 VanDerWaalsContact O-CA 3.29Å; L255-Y262 WeakPolarHBondContact O-CA 3.39Å; H256-Y262 HydrophobicContact CB-CD1 4.24Å; H256-Y262 HydrophobicContact CB-CE1 3.84Å; H256-Y262 AromaticContact CD2-CE1 3.76Å; H256-Y262 AromaticContact CD2-CZ 3.71Å
263Q94.9Very high87.7Confident58 Ų5860.5 Ų60.527%0.27132%0.315SS..EExtended strand (participates in β ladder)trans-128.3142166.7-49.1-169.417.800110.5L226 A227 V254 L255 N257L226-Q263 HydrophobicContact CD1-CB 4.35Å; A227-Q263 CarbonylContact O-C 3.51Å; A227-Q263 VanDerWaalsContact O-CA 3.3Å; A227-Q263 WeakPolarHBondContact O-CA 2.95Å; V254-Q263 CarbonylContact C-O 3.58Å; V254-Q263 VanDerWaalsContact CA-O 3.31Å; V254-Q263 WeakPolarHBondContact CA-O 3.04Å; L255-Q263 PolarHBondContact N-O 3.25Å; L255-Q263 PolarHBondContact O-N 2.85Å; N257-Q263 PolarHBondContact ND2-NE2 2.98Å; N257-Q263 PolarHBondContact OD1-NE2 3.14Å
264S95.4Very high88.3Confident9 Ų953.8 Ų53.86%0.06329%0.285CS..EExtended strand (participates in β ladder)trans-143.5142.6173.9-173.20000109.9A227A227-S264 PolarHBondContact N-O 2.89Å; A227-S264 PolarHBondContact O-N 3.28Å
265W95.6Very high88.9Confident51 Ų5157.3 Ų57.319%0.19331%0.306CS..EExtended strand (participates in β ladder)trans-146.4153.4-179.260.2-91.9000113.6C225 L226 L250 G252 V267C225-W265 CarbonylContact O-C 3.51Å; C225-W265 WeakPolarHBondContact O-CA 3.01Å; C225-W265 WeakPolarHBondContact O-CB 3.36Å; L226-W265 HydrophobicContact CB-CB 4.28Å; L226-W265 HydrophobicContact CD1-CB 3.86Å; L226-W265 HydrophobicContact CD1-CG 4.41Å; L250-W265 HydrophobicContact CB-CH2 4.41Å; L250-W265 HydrophobicContact CB-CZ3 4.07Å; L250-W265 HydrophobicContact CD2-CH2 3.41Å; L250-W265 VanDerWaalsContact CD2-CH2 3.41Å; L250-W265 HydrophobicContact CD2-CZ3 3.74Å; L250-W265 HydrophobicContact CG-CH2 3.5Å; L250-W265 HydrophobicContact CG-CZ3 3.65Å; G252-W265 PolarHBondContact N-O 2.85Å; W265-V267 HydrophobicContact CE3-CG2 3.72Å; W265-V267 HydrophobicContact CZ3-CB 4.46Å; W265-V267 HydrophobicContact CZ3-CG2 3.59Å
266V96.8Very high89.7Confident2 Ų253.9 Ų53.91%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-138.7137.4-178.8-176.30000110.8K224 C225 V237 W239 P248 R251K224-V266 WeakPolarHBondContact CA-O 3.07Å; C225-V266 PolarHBondContact N-O 3Å; C225-V266 PolarHBondContact O-N 3.06Å; V237-V266 HydrophobicContact CB-CG2 4.12Å; V237-V266 HydrophobicContact CG1-CB 4.38Å; V237-V266 HydrophobicContact CG1-CG2 3.97Å; V237-V266 VanDerWaalsContact O-CG2 3.31Å; V237-V266 WeakPolarHBondContact O-CG2 3.31Å; W239-V266 PolarHBondContact NE1-O 2.87Å; W239-V266 VanDerWaalsContact NE1-O 3.14Å; P248-V266 HydrophobicContact CB-CG1 3.43Å; P248-V266 VanDerWaalsContact CB-CG1 3.43Å; P248-V266 HydrophobicContact CG-CG1 4.43Å; R251-V266 HydrophobicContact CG-CG2 4.27Å
267V96.3Very high90.4Very high15 Ų1553.6 Ų53.69%0.09130%0.297CS..EExtended strand (participates in β ladder)trans-119.1136.6179.3179.70000111.1K222 L223 K224 P248 E249 L250 W265K222-V267 HydrophobicContact CB-CG1 3.95Å; K222-V267 HydrophobicContact CD-CG1 4.28Å; K222-V267 HydrophobicContact CG-CG1 4.4Å; L223-V267 VanDerWaalsContact O-CA 3.23Å; L223-V267 WeakPolarHBondContact O-CA 3.43Å; K224-V267 HydrophobicContact CB-CG2 3.88Å; K224-V267 HydrophobicContact CD-CG2 4.38Å; K224-V267 HydrophobicContact CG-CG2 3.86Å; P248-V267 WeakPolarHBondContact CA-O 3.39Å; E249-V267 PolarHBondContact N-O 2.91Å; L250-V267 HydrophobicContact CB-CB 4.23Å; L250-V267 PolarHBondContact N-O 3.47Å; L250-V267 PolarHBondContact O-N 2.88Å; W265-V267 HydrophobicContact CE3-CG2 3.72Å; W265-V267 HydrophobicContact CZ3-CB 4.46Å; W265-V267 HydrophobicContact CZ3-CG2 3.59Å
268V96.1Very high91.2Very high4 Ų452.9 Ų52.92%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-126144.3170-67.90000111K222 L223 W239 Q246 Y278K222-V268 WeakPolarHBondContact CA-O 3.33Å; L223-V268 HydrophobicContact CB-CG2 4.06Å; L223-V268 PolarHBondContact N-O 2.85Å; L223-V268 PolarHBondContact O-N 2.96Å; W239-V268 HydrophobicContact CB-CG1 3.74Å; W239-V268 HydrophobicContact CB-CG2 4Å; W239-V268 HydrophobicContact CD2-CG2 3.86Å; W239-V268 HydrophobicContact CG-CB 4.36Å; W239-V268 HydrophobicContact CG-CG1 3.86Å; W239-V268 HydrophobicContact CG-CG2 3.57Å; Q246-V268 HydrophobicContact CB-CG1 4.04Å; V268-Y278 HydrophobicContact CG2-CD1 4.27Å; V268-Y278 HydrophobicContact CG2-CE1 4.28Å
269A94.4Very high92.1Very high30 Ų3045.6 Ų45.625%0.24826%0.261CS..EExtended strand (participates in β ladder)trans-86.1130.1168.800000111.1K220 E249K220-A269 HydrophobicContact CB-CB 4.11Å; K220-A269 HydrophobicContact CD-CB 4Å; E249-A269 VanDerWaalsContact OE2-CB 3.22Å; E249-A269 WeakPolarHBondContact OE2-CB 3.46Å
270V92.6Very high92.8Very high13 Ų1342 Ų428%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-97121.4175.8-176.40000108.8K221 L223 D274 Y278K221-V270 HydrophobicContact CB-CB 4.36Å; K221-V270 PolarHBondContact O-N 2.81Å; L223-V270 HydrophobicContact CD1-CG2 3.6Å; L223-V270 HydrophobicContact CG-CG2 3.64Å; V270-D274 HydrophobicContact CG1-CB 3.95Å; V270-Y278 HydrophobicContact CG1-CE2 3.89Å; V270-Y278 HydrophobicContact CG2-CD2 4.46Å; V270-Y278 HydrophobicContact CG2-CE1 4.21Å; V270-Y278 HydrophobicContact CG2-CE2 4.14Å
271P90.2Very high93.3Very high55 Ų5545.3 Ų45.336%0.35725%0.253SS..PPolyproline II helixtrans-59.4144.2174-2131.3000111.7Q273 D274P271-Q273 PolarHBondContact O-N 3.28Å; P271-Q273 VanDerWaalsContact O-N 3.09Å; P271-D274 HydrophobicContact CB-CB 4.09Å; P271-D274 HydrophobicContact CG-CB 4.26Å; P271-D274 WeakPolarHBondContact O-CB 3.21Å; P271-D274 PolarHBondContact O-N 3.01Å
272P85.7Confident93.5Very high114 Ų11444.9 Ų44.974%0.7425%0.25SS*.THydrogen-bonded Turntrans-58.8-27.3-174.3-27.534.9000116
273Q87Confident93.7Very high188 Ų18849.6 Ų49.688%0.87927%0.273SS*.THydrogen-bonded Turntrans-98.88.9179.6-58.7-164.216.400113.1P271 T275P271-Q273 PolarHBondContact O-N 3.28Å; P271-Q273 VanDerWaalsContact O-N 3.09Å; Q273-T275 PolarHBondContact O-N 2.86Å
274D87.7Confident93.8Very high27 Ų2747.2 Ų47.214%0.14426%0.262CS..  trans-83.4117.9-176.2-165.91.1000111.4R241 V270 P271 A276 Y278R241-D274 IonicContact CZ-OD1 3.36Å; R241-D274 IonicContact CZ-OD2 3.25Å; R241-D274 VanDerWaalsContact CZ-OD2 3.25Å; R241-D274 VanDerWaalsContact NE-CG 3.29Å; R241-D274 IonicContact NE-OD1 3.14Å; R241-D274 PolarHBondContact NE-OD1 2.83Å; R241-D274 VanDerWaalsContact NE-OD1 3.14Å; R241-D274 IonicContact NE-OD2 2.69Å; R241-D274 PolarHBondContact NE-OD2 2.85Å; R241-D274 IonicContact NH2-OD1 2.73Å; R241-D274 PolarHBondContact NH2-OD1 2.99Å; R241-D274 IonicContact NH2-OD2 3.28Å; R241-D274 PolarHBondContact NH2-OD2 3.14Å; V270-D274 HydrophobicContact CG1-CB 3.95Å; P271-D274 HydrophobicContact CB-CB 4.09Å; P271-D274 HydrophobicContact CG-CB 4.26Å; P271-D274 WeakPolarHBondContact O-CB 3.21Å; P271-D274 PolarHBondContact O-N 3.01Å; D274-A276 WeakPolarHBondContact OD1-CB 3.49Å; D274-A276 PolarHBondContact OD1-N 2.93Å; D274-Y278 VanDerWaalsContact OD2-CE2 3.28Å; D274-Y278 WeakPolarHBondContact OD2-CE2 3.48Å; D274-Y278 VanDerWaalsContact OD2-CZ 3.32Å; D274-Y278 PolarHBondContact OD2-OH 2.87Å
275T87.9Confident93.8Very high140 Ų14050.4 Ų50.486%0.85928%0.284SS*.  trans-108.32.6176.855.90000112.5Q273Q273-T275 PolarHBondContact O-N 2.86Å
276A91.6Very high93.8Very high21 Ų2149.3 Ų49.317%0.17428%0.284CS..SBendtrans-64.5145179.400000110.8R241 D242 D274 Y278R241-A276 HydrophobicContact CG-CB 3.63Å; D242-A276 HydrophobicContact CB-CB 4.45Å; D274-A276 WeakPolarHBondContact OD1-CB 3.49Å; D274-A276 PolarHBondContact OD1-N 2.93Å; A276-Y278 VanDerWaalsContact O-CD2 3.26Å; A276-Y278 WeakPolarHBondContact O-CD2 3.26Å; A276-Y278 PolarHBondContact O-N 2.88Å
277P93.1Very high93.9Very high82 Ų8250.9 Ų50.953%0.53229%0.293SS..PPolyproline II helixtrans-68.412817628.2-33.2000110R241 D242R241-P277 WeakPolarHBondContact CA-O 3.3Å; D242-P277 PolarHBondContact N-O 2.92Å
278Y95.6Very high93.9Very high20 Ų2055.5 Ų55.58%0.07833%0.332CS..EExtended strand (participates in β ladder)trans-99.3144.3169.9-76.6-102.1000109.9L223 W239 T240 R241 Q246 V268 V270 D274 A276 G295L223-Y278 HydrophobicContact CD1-CD1 4.04Å; L223-Y278 HydrophobicContact CD1-CD2 4.36Å; L223-Y278 HydrophobicContact CD1-CG 3.76Å; W239-Y278 HydrophobicContact CE3-CD1 4.35Å; T240-Y278 VanDerWaalsContact O-CA 3.26Å; T240-Y278 WeakPolarHBondContact O-CA 3.46Å; R241-Y278 HydrophobicContact CB-CD1 4.2Å; R241-Y278 HydrophobicContact CB-CE1 3.86Å; R241-Y278 HydrophobicContact CB-CE2 4.47Å; R241-Y278 WeakPolarHBondContact CD-OH 3.17Å; R241-Y278 HydrophobicContact CG-CD2 4.44Å; R241-Y278 HydrophobicContact CG-CE1 4.08Å; R241-Y278 HydrophobicContact CG-CE2 3.88Å; Q246-Y278 HydrophobicContact CG-CE1 4.38Å; V268-Y278 HydrophobicContact CG2-CD1 4.27Å; V268-Y278 HydrophobicContact CG2-CE1 4.28Å; V270-Y278 HydrophobicContact CG1-CE2 3.89Å; V270-Y278 HydrophobicContact CG2-CD2 4.46Å; V270-Y278 HydrophobicContact CG2-CE1 4.21Å; V270-Y278 HydrophobicContact CG2-CE2 4.14Å; D274-Y278 VanDerWaalsContact OD2-CE2 3.28Å; D274-Y278 WeakPolarHBondContact OD2-CE2 3.48Å; D274-Y278 VanDerWaalsContact OD2-CZ 3.32Å; D274-Y278 PolarHBondContact OD2-OH 2.87Å; A276-Y278 VanDerWaalsContact O-CD2 3.26Å; A276-Y278 WeakPolarHBondContact O-CD2 3.26Å; A276-Y278 PolarHBondContact O-N 2.88Å; Y278-G295 WeakPolarHBondContact O-CA 3.47Å; Y278-G295 PolarHBondContact O-N 2.85Å
279S96.8Very high93.9Very high22 Ų2262.8 Ų62.815%0.15437%0.366CS..EExtended strand (participates in β ladder)trans-144.8136.7174.5-68.80000110.4W239 T240 V293W239-S279 VanDerWaalsContact CE3-C 3.43Å; T240-S279 PolarHBondContact N-O 2.55Å; T240-S279 PolarHBondContact O-N 2.99Å; T240-S279 PolarHBondContact OG1-O 3.36Å; S279-V293 WeakPolarHBondContact CA-O 3.44Å
280C97.4Very high94Very high0 Ų064.5 Ų64.50%038%0.375CS..EExtended strand (participates in β ladder)trans-85.8128.9170.5-179.70000109.7V211 C225 W239 V292 V293V211-C280 HydrophobicContact CG2-CB 4.1Å; C225-C280 HydrophobicContact CB-CB 3.57Å; C225-C280 WeakPolarHBondContact CB-SG 3.34Å; C225-C280 WeakPolarHBondContact SG-CB 3.39Å; C225-C280 CovalentContact SG-SG 2Å; C225-C280 PolarHBondContact SG-SG 2.91Å; W239-C280 HydrophobicContact CD2-CB 4.46Å; W239-C280 HydrophobicContact CE3-CB 4.36Å; W239-C280 HydrophobicContact CH2-CB 4.18Å; W239-C280 HydrophobicContact CZ2-CB 4.29Å; W239-C280 HydrophobicContact CZ3-CB 4.22Å; C280-V292 WeakPolarHBondContact O-CA 3.29Å; C280-V293 PolarHBondContact N-O 3.09Å; C280-V293 PolarHBondContact O-N 2.98Å
281Y97.5Very high94.2Very high74 Ų7467 Ų6729%0.2939%0.387SS..EExtended strand (participates in β ladder)trans-108.1132.7175.7-79.6-108.5000109V237 H238 T240 L291 V292V237-Y281 WeakPolarHBondContact CA-O 3.36Å; H238-Y281 PolarHBondContact N-O 2.87Å; H238-Y281 WeakPolarHBondContact NE2-CB 3.21Å; H238-Y281 AromaticContact NE2-CG 3.91Å; H238-Y281 PolarHBondContact O-N 3Å; T240-Y281 HydrophobicContact CG2-CD2 3.6Å; T240-Y281 HydrophobicContact CG2-CE2 3.7Å; T240-Y281 HydrophobicContact CG2-CG 4.33Å; T240-Y281 WeakPolarHBondContact OG1-CD2 3.47Å; T240-Y281 WeakPolarHBondContact OG1-CE2 3.26Å; Y281-L291 WeakPolarHBondContact CA-O 3.22Å; Y281-V292 HydrophobicContact CD1-CG2 3.75Å; Y281-V292 HydrophobicContact CD2-CG1 4.29Å; Y281-V292 HydrophobicContact CE1-CB 4.46Å; Y281-V292 HydrophobicContact CE1-CG1 4.22Å; Y281-V292 HydrophobicContact CE1-CG2 3.43Å; Y281-V292 VanDerWaalsContact CE1-CG2 3.43Å; Y281-V292 HydrophobicContact CE2-CG1 3.72Å; Y281-V292 HydrophobicContact CE2-CG2 4.4Å; Y281-V292 HydrophobicContact CG-CG2 4.38Å
282V97.6Very high94.5Very high0 Ų067.6 Ų67.60%039%0.39CS..EExtended strand (participates in β ladder)trans-130117.4177.6-178.80000109.5P207 V209 A227 I235 D236 V237 P290 L291P207-V282 HydrophobicContact CB-CG1 4.33Å; P207-V282 HydrophobicContact CG-CG1 3.8Å; V209-V282 HydrophobicContact CG1-CG2 4.17Å; V209-V282 HydrophobicContact CG2-CB 4.22Å; V209-V282 HydrophobicContact CG2-CG1 4.41Å; V209-V282 HydrophobicContact CG2-CG2 3.74Å; A227-V282 HydrophobicContact CB-CG1 4.27Å; A227-V282 HydrophobicContact CB-CG2 4.45Å; I235-V282 HydrophobicContact CD1-CG1 3.7Å; I235-V282 HydrophobicContact CG1-CG1 4.05Å; D236-V282 CarbonylContact O-C 3.4Å; D236-V282 WeakPolarHBondContact O-CA 3.31Å; V237-V282 HydrophobicContact CG1-CG2 4.28Å; V237-V282 HydrophobicContact CG2-CG1 4.35Å; V237-V282 HydrophobicContact CG2-CG2 4.29Å; V282-P290 CarbonylContact O-C 3.57Å; V282-P290 WeakPolarHBondContact O-CA 3.24Å; V282-L291 HydrophobicContact CB-CB 4.29Å; V282-L291 PolarHBondContact N-O 3.46Å; V282-L291 PolarHBondContact O-N 3.41Å
283Q97.5Very high95Very high116 Ų11664.1 Ų64.154%0.54237%0.366SS..EExtended strand (participates in β ladder)trans-113.5128.2174.4-177.2175.8-2.400109.8I235 D236I235-Q283 WeakPolarHBondContact CG1-O 3.35Å; D236-Q283 HydrophobicContact CB-CB 4.29Å; D236-Q283 PolarHBondContact N-O 3.46Å; D236-Q283 PolarHBondContact O-N 3.44Å
284H96.8Very high95.3Very high9 Ų958.6 Ų58.64%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-150.2151.5-175.7-176.6-101.1000110.1D205 P207 F230 Y231 P232 K234 I235 S286 L287D205-H284 PolarHBondContact O-CE1 3.33Å; P207-H284 HydrophobicContact CG-CB 4.1Å; F230-H284 AromaticContact CD2-CD2 3.7Å; F230-H284 AromaticContact CD2-NE2 3.58Å; Y231-H284 PolarHBondContact O-CE1 2.94Å; Y231-H284 VanDerWaalsContact O-CE1 3.28Å; P232-H284 PolarHBondContact O-NE2 2.85Å; K234-H284 PolarHBondContact O-CD2 3.42Å; I235-H284 HydrophobicContact CD1-CB 4.4Å; I235-H284 HydrophobicContact CG1-CB 4.16Å; H284-S286 PolarHBondContact CE1-OG 2.75Å; H284-S286 PolarHBondContact ND1-N 2.69Å; H284-S286 PolarHBondContact ND1-OG 3.14Å; H284-S286 PolarHBondContact O-N 3.28Å; H284-L287 HydrophobicContact CB-CD1 3.94Å; H284-L287 HydrophobicContact CB-CG 4.18Å; H284-L287 WeakPolarHBondContact O-CB 3.2Å; H284-L287 PolarHBondContact O-N 2.72Å
285S95.6Very high95.1Very high75 Ų7558 Ų5852%0.52435%0.346SS..THydrogen-bonded Turntrans-64.1-27.1-174.4550000114.2Q204 P232 L287Q204-S285 PolarHBondContact OE1-OG 2.99Å; P232-S285 WeakPolarHBondContact CD-OG 3.23Å; S285-L287 PolarHBondContact O-N 3.25Å
286S96.5Very high94.2Very high29 Ų2959.3 Ų59.320%0.20334%0.343CS..THydrogen-bonded Turntrans-79.4-4.1177.467.70000113.7Q204 D205 P206 H284Q204-S286 VanDerWaalsContact C-CB 3.48Å; Q204-S286 WeakPolarHBondContact O-CB 3.28Å; Q204-S286 VanDerWaalsContact OE1-N 3.11Å; D205-S286 PolarHBondContact O-OG 2.73Å; D205-S286 VanDerWaalsContact O-OG 3.06Å; P206-S286 WeakPolarHBondContact CA-OG 3.31Å; H284-S286 PolarHBondContact CE1-OG 2.75Å; H284-S286 PolarHBondContact ND1-N 2.69Å; H284-S286 PolarHBondContact ND1-OG 3.14Å; H284-S286 PolarHBondContact O-N 3.28Å
287L97.5Very high92.2Very high35 Ų3560.8 Ų60.818%0.18336%0.355CS..  trans-102.8128.7179.4-61173.4000110.6P206 P207 H284 S285 Q289 L291P206-L287 HydrophobicContact CB-CD2 4.02Å; P207-L287 HydrophobicContact CG-CD1 3.87Å; P207-L287 HydrophobicContact CG-CG 4.4Å; H284-L287 HydrophobicContact CB-CD1 3.94Å; H284-L287 HydrophobicContact CB-CG 4.18Å; H284-L287 WeakPolarHBondContact O-CB 3.2Å; H284-L287 PolarHBondContact O-N 2.72Å; S285-L287 PolarHBondContact O-N 3.25Å; L287-Q289 VanDerWaalsContact C-N 3.27Å; L287-Q289 WeakPolarHBondContact CB-O 3.22Å; L287-Q289 PolarHBondContact O-N 2.9Å; L287-L291 HydrophobicContact CD1-CB 4.48Å; L287-L291 HydrophobicContact CD1-CD1 3.89Å; L287-L291 HydrophobicContact CD1-CG 3.73Å; L287-L291 HydrophobicContact CD2-CD1 4.05Å; L287-L291 HydrophobicContact CD2-CD2 4.5Å; L287-L291 HydrophobicContact CD2-CG 4.08Å
288A96.4Very high89.7Confident111 Ų11171.6 Ų71.692%0.91739%0.385SS*.SBendtrans-67.6-30174.100000112.7
289Q96.3Very high89.4Confident157 Ų15774.2 Ų74.273%0.73440%0.4SS*.SBendtrans-141.4151.8176.2-63.8-177.24.800109.3L287 L291L287-Q289 VanDerWaalsContact C-N 3.27Å; L287-Q289 WeakPolarHBondContact CB-O 3.22Å; L287-Q289 PolarHBondContact O-N 2.9Å; Q289-L291 PolarHBondContact O-N 2.78Å
290P96.8Very high89.1Confident67 Ų6776.9 Ų76.944%0.43541%0.413SS..  trans-57138.7176.7-23.634000112.2V282V282-P290 CarbonylContact O-C 3.57Å; V282-P290 WeakPolarHBondContact O-CA 3.24Å
291L97.1Very high88.6Confident64 Ų6481.2 Ų81.234%0.33544%0.436SS..EExtended strand (participates in β ladder)trans-77.3135.1169.7-67.6173.8000109.2P207 V209 Y281 V282 L287 Q289P207-L291 HydrophobicContact CG-CD1 4.35Å; V209-L291 HydrophobicContact CG2-CD1 3.98Å; Y281-L291 WeakPolarHBondContact CA-O 3.22Å; V282-L291 HydrophobicContact CB-CB 4.29Å; V282-L291 PolarHBondContact N-O 3.46Å; V282-L291 PolarHBondContact O-N 3.41Å; L287-L291 HydrophobicContact CD1-CB 4.48Å; L287-L291 HydrophobicContact CD1-CD1 3.89Å; L287-L291 HydrophobicContact CD1-CG 3.73Å; L287-L291 HydrophobicContact CD2-CD1 4.05Å; L287-L291 HydrophobicContact CD2-CD2 4.5Å; L287-L291 HydrophobicContact CD2-CG 4.08Å; Q289-L291 PolarHBondContact O-N 2.78Å
292V96.8Very high88.1Confident69 Ų6981.6 Ų81.642%0.41845%0.445SS..EExtended strand (participates in β ladder)trans-122.7113.1176.2-173.10000108.3C280 Y281C280-V292 WeakPolarHBondContact O-CA 3.29Å; Y281-V292 HydrophobicContact CD1-CG2 3.75Å; Y281-V292 HydrophobicContact CD2-CG1 4.29Å; Y281-V292 HydrophobicContact CE1-CB 4.46Å; Y281-V292 HydrophobicContact CE1-CG1 4.22Å; Y281-V292 HydrophobicContact CE1-CG2 3.43Å; Y281-V292 VanDerWaalsContact CE1-CG2 3.43Å; Y281-V292 HydrophobicContact CE2-CG1 3.72Å; Y281-V292 HydrophobicContact CE2-CG2 4.4Å; Y281-V292 HydrophobicContact CG-CG2 4.38Å
293V96.3Very high87.5Confident40 Ų4086.7 Ų86.724%0.24247%0.473CS..EExtended strand (participates in β ladder)trans-113.1115.8-179.1-173.60000109.1V209 V211 S279 C280V209-V293 HydrophobicContact CB-CG2 3.96Å; V209-V293 HydrophobicContact CG1-CB 4.31Å; V209-V293 HydrophobicContact CG1-CG2 3.74Å; V211-V293 HydrophobicContact CB-CG1 4.48Å; V211-V293 HydrophobicContact CG2-CB 4.13Å; V211-V293 HydrophobicContact CG2-CG1 3.71Å; S279-V293 WeakPolarHBondContact CA-O 3.44Å; C280-V293 PolarHBondContact N-O 3.09Å; C280-V293 PolarHBondContact O-N 2.98Å
294P93.6Very high86.8Confident73 Ų7384.7 Ų84.747%0.47447%0.468SS..EExtended strand (participates in β ladder)trans-57.6139.6177.8-25.734.6000112.4E296P294-E296 HydrophobicContact CB-CG 4.2Å; P294-E296 PolarHBondContact O-N 3.05Å
295G82.7Confident86.1Confident13 Ų1390.1 Ų90.113%0.13450%0.499CS..  trans-74.928.9176.100000114.2Y278 A297Y278-G295 WeakPolarHBondContact O-CA 3.47Å; Y278-G295 PolarHBondContact O-N 2.85Å; G295-A297 PolarHBondContact O-N 3.2Å
296E69.4Low85.4Confident168 Ų16891.3 Ų91.379%0.78550%0.497SS*.  trans-72.8118.8-179.7-69.1-174.4177.800109.1P294 R298P294-E296 HydrophobicContact CB-CG 4.2Å; P294-E296 PolarHBondContact O-N 3.05Å; E296-R298 PolarHBondContact O-N 3.49Å
297A49.4Very low84.4Confident52 Ų5296.5 Ų96.543%0.4352%0.521SS..  trans-70.1116.3179.500000109.9S213 G295S213-A297 WeakPolarHBondContact OG-CB 3.49Å; G295-A297 PolarHBondContact O-N 3.2Å
298R40.9Very low83.3Confident309 Ų309102.1 Ų102.1100%1.16655%0.552SS**  trans-74.90146.4-73.5-172.8-173.7-176.43.2109.5E296E296-R298 PolarHBondContact O-N 3.49Å

Retrieved 298 of 298 residues in 161.5 ms (Link to these results)

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