A0A075B5J6_MOUSE Loading...

Predicted gene, 20730

AlphaFold DB , UniProt , Accession A0A075B5J6, Species MOUSE (Mus musculus, Mouse), Gene Gm20730, Length 119 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
1M46.3Very low55.7Low241 Ų241153.7 Ų153.7100%1.18775%0.75SS**  091.20-97144.861.900109.6C3M1-C3 PolarHBondContact O-N 3.01Å
2R48.4Very low56.1Low257 Ų257149.3 Ų149.397%0.9774%0.738SS**  trans-85.989.8165-68.4177175.4-141.7-0.2106.3
3C60Low56.5Low80 Ų80149.1 Ų149.154%0.54174%0.74SS.*  trans-16750.8173.8-135.10000113.6M1M1-C3 PolarHBondContact O-N 3.01Å
4L55.2Low56.6Low145 Ų145154.6 Ų154.676%0.75975%0.749SS**SBendtrans-136.2-30.3165.7-73.5175.2000112.2E6L4-E6 PolarHBondContact O-N 3Å
5A58.3Low56.8Low76 Ų76153.2 Ų153.263%0.62875%0.745SS**Hα-helixtrans-72.4-24.1-178.600000114.6
6E56Low56.9Low151 Ų151149.7 Ų149.771%0.70674%0.737SS**Hα-helixtrans-78.9-36.3179.6-63.3-157.6173.300112.7L4 L8 R9 L10L4-E6 PolarHBondContact O-N 3Å; E6-L8 VanDerWaalsContact C-N 3.27Å; E6-L8 PolarHBondContact O-N 3.24Å; E6-R9 PolarHBondContact O-N 3.25Å; E6-L10 PolarHBondContact O-N 3.19Å
7F57.1Low57.3Low138 Ų138146.5 Ų146.561%0.60574%0.741SS**Hα-helixtrans-63.1-35.4174.8-74-78.5000112.1R9 L10 L11F7-R9 VanDerWaalsContact C-N 3.33Å; F7-R9 PolarHBondContact O-N 3.02Å; F7-L10 PolarHBondContact O-N 3.05Å; F7-L11 PolarHBondContact O-N 3.18Å
8L56.9Low57.9Low125 Ų125144.8 Ų144.865%0.65474%0.739SS**Hα-helixtrans-69.2-29.8177.3-125127.5000112.7E6E6-L8 VanDerWaalsContact C-N 3.27Å; E6-L8 PolarHBondContact O-N 3.24Å
9R59.8Low58.9Low207 Ų207139.5 Ų139.578%0.78172%0.724SS**Hα-helixtrans-71.3-32.8174.2-76.6-177.1176.6-125-0.4112.8E6 F7E6-R9 PolarHBondContact O-N 3.25Å; F7-R9 VanDerWaalsContact C-N 3.33Å; F7-R9 PolarHBondContact O-N 3.02Å
10L56.1Low60.4Low127 Ų127138.4 Ų138.467%0.66572%0.719SS**Hα-helixtrans-74.6-33.4175.9-91.5122.1000113E6 F7 V12 L13E6-L10 PolarHBondContact O-N 3.19Å; F7-L10 PolarHBondContact O-N 3.05Å; L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 3.31Å
11L58.1Low62Low144 Ų144132.6 Ų132.675%0.75469%0.689SS**Hα-helixtrans-68.5-26.7-176.3-150.381.7000113.6F7F7-L11 PolarHBondContact O-N 3.18Å
12V60.6Low64.3Low100 Ų100125.1 Ų125.161%0.60666%0.657SS**G310 helixtrans-78-21.3-176.7179.40000112.9L10 W14L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 2.86Å; V12-W14 VanDerWaalsContact C-N 3.28Å; V12-W14 PolarHBondContact O-N 2.82Å
13L61.3Low66.6Low147 Ų147115.1 Ų115.177%0.7762%0.622SS**G310 helixtrans-81.80.5-176.2-75.6162.4000114.5L10L10-L13 PolarHBondContact O-N 3.31Å
14W58.4Low68.3Low226 Ų226115.2 Ų115.286%0.85662%0.62SS**G310 helixtrans-116.425-178.1-87.153.9000113.4V12 P16V12-W14 VanDerWaalsContact C-N 3.28Å; V12-W14 PolarHBondContact O-N 2.82Å; W14-P16 WeakPolarHBondContact O-CD 3.46Å
15I60Low70.3Confident134 Ų134111.5 Ų111.569%0.68760%0.599SS**  trans-87.996.6163.6-55.9171.4000106.1A17I15-A17 PolarHBondContact O-N 3.43Å
16P58.6Low71.5Confident97 Ų97112.2 Ų112.263%0.6361%0.605SS**  trans-54.9120.7162.723.1-30.3000106.2W14 T18W14-P16 WeakPolarHBondContact O-CD 3.46Å; P16-T18 HydrophobicContact CB-CG2 4.25Å; P16-T18 HydrophobicContact CG-CG2 4.21Å; P16-T18 WeakPolarHBondContact O-CG2 3.26Å; P16-T18 PolarHBondContact O-N 3.08Å
17A62.1Low72.9Confident96 Ų96107.5 Ų107.579%0.79359%0.591SS**  trans-66.488.917400000107.2I15 G19I15-A17 PolarHBondContact O-N 3.43Å; A17-G19 PolarHBondContact O-N 3.43Å
18T68.4Low74.1Confident115 Ų115107.6 Ų107.671%0.70661%0.606SS**  trans-80.549.7-175.857.20000111.2P16 D20P16-T18 HydrophobicContact CB-CG2 4.25Å; P16-T18 HydrophobicContact CG-CG2 4.21Å; P16-T18 WeakPolarHBondContact O-CG2 3.26Å; P16-T18 PolarHBondContact O-N 3.08Å; T18-D20 VanDerWaalsContact C-N 3.32Å
19G78.2Confident75.6Confident44 Ų44106 Ų10645%0.45461%0.605SS.*  trans-67-36.1176.200000111.8A17 K46 E117A17-G19 PolarHBondContact O-N 3.43Å; G19-K46 PolarHBondContact O-NZ 2.86Å; G19-E117 VanDerWaalsContact O-OE2 3.13Å
20D88.4Confident77.2Confident118 Ų11899.2 Ų99.263%0.63159%0.587SS**SBendtrans-82147.6-167.8-55.2-19.3000113.7T18 V22T18-D20 VanDerWaalsContact C-N 3.32Å; D20-V22 PolarHBondContact O-N 2.89Å
21I93.4Very high79Confident16 Ų1698.8 Ų98.88%0.08259%0.591CS.*PPolyproline II helixtrans-75.6119.3165.7-63.5161.1000110M23 S45 K46 L48 Q114 L116 E117I21-M23 HydrophobicContact CG2-SD 3.91Å; I21-S45 WeakPolarHBondContact CA-OG 3.45Å; I21-K46 HydrophobicContact CG1-CB 4.23Å; I21-K46 HydrophobicContact CG1-CD 3.97Å; I21-K46 HydrophobicContact CG1-CG 4.29Å; I21-L48 HydrophobicContact CD1-CD2 4.06Å; I21-L48 HydrophobicContact CG2-CD2 3.92Å; I21-Q114 HydrophobicContact CB-CG 3.92Å; I21-Q114 HydrophobicContact CD1-CG 4.44Å; I21-Q114 HydrophobicContact CG2-CB 4.26Å; I21-Q114 HydrophobicContact CG2-CG 3.71Å; I21-L116 HydrophobicContact CD1-CB 4Å; I21-L116 HydrophobicContact CD1-CD1 4.25Å; I21-E117 HydrophobicContact CD1-CB 4.18Å; I21-E117 HydrophobicContact CD1-CG 3.74Å; I21-E117 HydrophobicContact CG1-CG 4.31Å; I21-E117 WeakPolarHBondContact CG1-OE2 3.37Å; I21-E117 PolarHBondContact N-OE2 2.86Å; I21-E117 VanDerWaalsContact N-OE2 3.09Å
22V94.6Very high80.7Confident85 Ų8593.7 Ų93.752%0.51557%0.57SS.*PPolyproline II helixtrans-98.8130.4177.7-1790000109.5D20 S44 S45D20-V22 PolarHBondContact O-N 2.89Å; V22-S44 CarbonylContact O-C 3.49Å; V22-S44 WeakPolarHBondContact O-CA 3.38Å; V22-S45 PolarHBondContact N-OG 3.17Å; V22-S45 PolarHBondContact O-N 3.3Å
23M96.2Very high82.4Confident47 Ų4793.7 Ų93.723%0.23257%0.567CS.*EExtended strand (participates in β ladder)trans-101.1132.3175-53.3-54.3-62.800110.2I21 C42 R43 L48 L57 Q114I21-M23 HydrophobicContact CG2-SD 3.91Å; M23-C42 WeakPolarHBondContact CE-SG 3.4Å; M23-R43 CarbonylContact C-O 3.5Å; M23-R43 WeakPolarHBondContact CA-O 3.33Å; M23-L48 HydrophobicContact CE-CD1 4.18Å; M23-L57 HydrophobicContact CE-CD1 3.92Å; M23-Q114 HydrophobicContact CG-CG 4.3Å; M23-Q114 HydrophobicContact SD-CB 3.74Å; M23-Q114 HydrophobicContact SD-CG 3.89Å
24T97.4Very high84.1Confident82 Ų8291.9 Ų91.950%0.50356%0.563SS.*EExtended strand (participates in β ladder)trans-127.2129-178-55.50000110.8C42 R43T24-C42 CarbonylContact O-C 3.59Å; T24-C42 WeakPolarHBondContact O-CA 3.26Å; T24-R43 PolarHBondContact N-O 3.47Å; T24-R43 PolarHBondContact O-N 3.47Å
25Q96.7Very high86Confident67 Ų6783.7 Ų83.731%0.31355%0.549SS..EExtended strand (participates in β ladder)trans-113.4133.2173.5-71.9174.8-134.600109.6C42 Y110 C112Q25-C42 HydrophobicContact CG-CB 4.22Å; Q25-Y110 PolarHBondContact NE2-O 3.05Å; Q25-C112 PolarHBondContact OE1-SG 3.34Å; Q25-C112 VanDerWaalsContact OE1-SG 3.34Å
26A84Confident87.8Confident91 Ų9181.3 Ų81.375%0.75254%0.535SS*.SBendtrans-80.7-33.8-167.500000114.5
27A84.1Confident89.7Confident52 Ų5279.4 Ų79.443%0.4352%0.524SS..  trans-112.6126.2-175.300000110.6S29 V30A27-S29 VanDerWaalsContact C-N 3.29Å; A27-S29 PolarHBondContact O-N 2.89Å; A27-V30 HydrophobicContact CB-CG2 4.06Å
28P83.1Confident91.4Very high139 Ų13975.7 Ų75.790%0.90349%0.491SS*.SBendtrans-70.2-27.6177.128.1-34.3000112.5
29S88.8Confident92.7Very high92 Ų9272.9 Ų72.964%0.64348%0.476SS*.  trans-151.2141.417960.80000110.4A27A27-S29 VanDerWaalsContact C-N 3.29Å; A27-S29 PolarHBondContact O-N 2.89Å
30V92.7Very high93.7Very high65 Ų6571.9 Ų71.939%0.39446%0.46SS..  trans-122.5104.1174.9-175.90000107.9A27 V38 I40A27-V30 HydrophobicContact CB-CG2 4.06Å; V30-V38 HydrophobicContact CG1-CB 4.04Å; V30-V38 HydrophobicContact CG1-CG1 3.98Å; V30-I40 HydrophobicContact CG2-CG1 4.41Å
31P94.1Very high94.1Very high118 Ų11869.4 Ų69.477%0.76645%0.452SS*.  trans-67.4142.5174.529.4-33.3000109.8
32A94.6Very high94.3Very high37 Ų3768.7 Ų68.731%0.30645%0.449SS..  trans-148.5137.8-179.500000109.7V38 V102A32-V38 HydrophobicContact CB-CG1 3.54Å; A32-V102 HydrophobicContact CB-CB 4.38Å; A32-V102 HydrophobicContact CB-CG1 4Å; A32-V102 HydrophobicContact CB-CG2 4.13Å
33N96.4Very high94.5Very high100 Ų10071.7 Ų71.754%0.53545%0.451SS..  trans-90.6152.8169.5-56.3-38.5000110.4G35 E36N33-G35 PolarHBondContact O-N 3.46Å; N33-E36 HydrophobicContact CB-CG 4.04Å; N33-E36 WeakPolarHBondContact CB-OE1 3.41Å; N33-E36 PolarHBondContact N-OE2 2.79Å; N33-E36 PolarHBondContact ND2-OE1 3.28Å; N33-E36 VanDerWaalsContact O-CB 3.3Å; N33-E36 WeakPolarHBondContact O-CB 3.47Å; N33-E36 PolarHBondContact O-N 2.84Å
34P97.1Very high94.5Very high108 Ų10869.6 Ų69.670%0.70144%0.441SS*.THydrogen-bonded Turntrans-52.4133.5174-27.835.5000112.5E36 V102P34-E36 VanDerWaalsContact C-N 3.3Å; P34-E36 PolarHBondContact O-N 2.86Å; P34-V102 CarbonylContact C-O 3.58Å; P34-V102 VanDerWaalsContact CA-O 3.24Å; P34-V102 WeakPolarHBondContact CA-O 3.24Å
35G97.8Very high94.4Very high54 Ų5469 Ų6956%0.55744%0.44SS*.THydrogen-bonded Turntrans86.2-14.4-177.600000115.3N33 V102N33-G35 PolarHBondContact O-N 3.46Å; G35-V102 PolarHBondContact N-O 2.95Å
36E98Very high94.4Very high85 Ų8569.3 Ų69.340%0.39744%0.44SS..  trans-69.9171.4173.7-68.6179.117500111.6N33 P34 R101 V102N33-E36 HydrophobicContact CB-CG 4.04Å; N33-E36 WeakPolarHBondContact CB-OE1 3.41Å; N33-E36 PolarHBondContact N-OE2 2.79Å; N33-E36 PolarHBondContact ND2-OE1 3.28Å; N33-E36 VanDerWaalsContact O-CB 3.3Å; N33-E36 WeakPolarHBondContact O-CB 3.47Å; N33-E36 PolarHBondContact O-N 2.84Å; P34-E36 VanDerWaalsContact C-N 3.3Å; P34-E36 PolarHBondContact O-N 2.86Å; E36-R101 WeakPolarHBondContact O-CA 3.3Å; E36-R101 PolarHBondContact O-N 3.37Å; E36-V102 PolarHBondContact O-N 2.92Å
37S98Very high94.9Very high56 Ų5667.9 Ų67.939%0.39243%0.425SS..  trans-120134.2170.5-55.90000110.3I99S37-I99 CarbonylContact C-O 3.53Å; S37-I99 WeakPolarHBondContact CA-O 3.3Å
38V97Very high95.5Very high18 Ų1865.4 Ų65.411%0.10940%0.404CS..EExtended strand (participates in β ladder)trans-124.8156.3179-64.70000111.5V30 A32 R98 I99 V102V30-V38 HydrophobicContact CG1-CB 4.04Å; V30-V38 HydrophobicContact CG1-CG1 3.98Å; A32-V38 HydrophobicContact CB-CG1 3.54Å; V38-R98 WeakPolarHBondContact O-CA 3.26Å; V38-I99 HydrophobicContact CG2-CB 3.99Å; V38-I99 HydrophobicContact CG2-CD1 4.07Å; V38-I99 HydrophobicContact CG2-CG1 4.23Å; V38-I99 PolarHBondContact N-O 3.43Å; V38-I99 PolarHBondContact O-N 2.93Å; V38-V102 HydrophobicContact CG2-CG2 3.83Å
39S97.2Very high96.2Very high56 Ų5663.4 Ų63.439%0.39239%0.386SS..EExtended strand (participates in β ladder)trans-128.8137.3176.8-64.70000109.8L97 R98S39-L97 CarbonylContact C-O 3.52Å; S39-L97 VanDerWaalsContact CA-O 3.26Å; S39-L97 WeakPolarHBondContact CA-O 3.2Å; S39-R98 PolarHBondContact OG-NH1 2.91Å
40I97.4Very high96.5Very high23 Ų2362.6 Ų62.612%0.11837%0.372CS..EExtended strand (participates in β ladder)trans-119119.9177.4-60.2166000107.3V30 W59 T96 L97 Y110V30-I40 HydrophobicContact CG2-CG1 4.41Å; I40-W59 HydrophobicContact CB-CH2 4.44Å; I40-W59 HydrophobicContact CG2-CH2 4.03Å; I40-W59 HydrophobicContact CG2-CZ3 3.96Å; I40-W59 WeakPolarHBondContact O-CH2 3.47Å; I40-T96 WeakPolarHBondContact O-CA 2.92Å; I40-L97 HydrophobicContact CB-CB 4.37Å; I40-L97 HydrophobicContact CD1-CD2 4.24Å; I40-L97 PolarHBondContact N-O 2.75Å; I40-L97 PolarHBondContact O-N 2.91Å; I40-Y110 HydrophobicContact CD1-CD1 4.5Å; I40-Y110 HydrophobicContact CD1-CD2 3.76Å; I40-Y110 HydrophobicContact CD1-CE2 4.42Å; I40-Y110 HydrophobicContact CD1-CG 3.79Å
41S97.5Very high96.6Very high66 Ų6665.1 Ų65.146%0.46239%0.392SS..EExtended strand (participates in β ladder)trans-91.8141.3179.8-58.80000111.6F95S41-F95 WeakPolarHBondContact CA-O 3.26Å
42C97.8Very high96.7Very high2 Ų262.7 Ų62.71%0.01438%0.378CS..EExtended strand (participates in β ladder)trans-134.3136.3173.6173.90000110.1M23 T24 Q25 W59 F95 C112M23-C42 WeakPolarHBondContact CE-SG 3.4Å; T24-C42 CarbonylContact O-C 3.59Å; T24-C42 WeakPolarHBondContact O-CA 3.26Å; Q25-C42 HydrophobicContact CG-CB 4.22Å; C42-W59 HydrophobicContact CB-CH2 3.54Å; C42-W59 HydrophobicContact CB-CZ2 3.79Å; C42-W59 HydrophobicContact CB-CZ3 4.45Å; C42-F95 PolarHBondContact N-O 3.37Å; C42-F95 PolarHBondContact O-N 3.43Å; C42-C112 HydrophobicContact CB-CB 3.51Å; C42-C112 WeakPolarHBondContact CB-SG 3.17Å; C42-C112 WeakPolarHBondContact SG-CB 3.44Å; C42-C112 CovalentContact SG-SG 2.01Å; C42-C112 PolarHBondContact SG-SG 3.18Å
43R98Very high96.8Very high147 Ų14763.4 Ų63.456%0.55539%0.389SS*.EExtended strand (participates in β ladder)trans-121.2134.1176.6-178.3173.7-68.2155.71.7111.2M23 T24 T93 D94M23-R43 CarbonylContact C-O 3.5Å; M23-R43 WeakPolarHBondContact CA-O 3.33Å; T24-R43 PolarHBondContact N-O 3.47Å; T24-R43 PolarHBondContact O-N 3.47Å; R43-T93 CarbonylContact C-O 3.19Å; R43-T93 WeakPolarHBondContact CA-O 3.41Å; R43-D94 IonicContact CZ-OD1 3.53Å; R43-D94 VanDerWaalsContact CZ-OD1 3.32Å; R43-D94 IonicContact NE-OD1 2.79Å; R43-D94 PolarHBondContact NE-OD1 3.34Å; R43-D94 IonicContact NH2-OD1 3.59Å; R43-D94 PolarHBondContact NH2-OD1 3.09Å
44S97Very high96.7Very high4 Ų462 Ų623%0.02838%0.382CS..EExtended strand (participates in β ladder)trans-98151.116959.20000111.3V22 K46 T93V22-S44 CarbonylContact O-C 3.49Å; V22-S44 WeakPolarHBondContact O-CA 3.38Å; S44-K46 VanDerWaalsContact C-N 3.26Å; S44-K46 WeakPolarHBondContact CB-O 3.49Å; S44-K46 PolarHBondContact O-N 3.37Å; S44-K46 PolarHBondContact OG-O 3.33Å; S44-T93 PolarHBondContact N-O 3.47Å; S44-T93 WeakPolarHBondContact O-CB 3.35Å; S44-T93 WeakPolarHBondContact O-CG2 3.38Å; S44-T93 WeakPolarHBondContact OG-CA 3.21Å
45S96Very high96.8Very high68 Ų6857.8 Ų57.848%0.47635%0.354SS..SBendtrans-71.7-18.3176.562.60000114I21 V22I21-S45 WeakPolarHBondContact CA-OG 3.45Å; V22-S45 PolarHBondContact N-OG 3.17Å; V22-S45 PolarHBondContact O-N 3.3Å
46K95.1Very high96.7Very high74 Ų7457.4 Ų57.432%0.32234%0.336SS..SBendtrans-138.8163.5178.2-53.4-178.9-162.61620110.3G19 I21 S44 L48 E117G19-K46 PolarHBondContact O-NZ 2.86Å; I21-K46 HydrophobicContact CG1-CB 4.23Å; I21-K46 HydrophobicContact CG1-CD 3.97Å; I21-K46 HydrophobicContact CG1-CG 4.29Å; S44-K46 VanDerWaalsContact C-N 3.26Å; S44-K46 WeakPolarHBondContact CB-O 3.49Å; S44-K46 PolarHBondContact O-N 3.37Å; S44-K46 PolarHBondContact OG-O 3.33Å; K46-L48 PolarHBondContact O-N 2.91Å; K46-E117 IonicContact NZ-OE1 3.34Å; K46-E117 PolarHBondContact NZ-OE1 3.36Å; K46-E117 IonicContact NZ-OE2 3.53Å
47S96.1Very high96.7Very high61 Ų6153.3 Ų53.343%0.42732%0.317SS..  trans-58.4133.4171.9-177.90000111L49 G92S47-L49 VanDerWaalsContact C-N 3.31Å; S47-L49 WeakPolarHBondContact OG-CB 3.23Å; S47-L49 PolarHBondContact OG-N 3.49Å; S47-G92 WeakPolarHBondContact CA-O 3.31Å
48L96.7Very high96.7Very high0 Ų052.6 Ų52.60%031%0.306CS..  trans-90.88.3175.1-57.9-171.6000113.6I21 M23 K46 H50 T55 Y56 L57 G92 F95 Q114 L116I21-L48 HydrophobicContact CD1-CD2 4.06Å; I21-L48 HydrophobicContact CG2-CD2 3.92Å; M23-L48 HydrophobicContact CE-CD1 4.18Å; K46-L48 PolarHBondContact O-N 2.91Å; L48-H50 PolarHBondContact O-N 3.05Å; L48-T55 HydrophobicContact CB-CG2 3.64Å; L48-T55 VanDerWaalsContact O-CA 3.29Å; L48-T55 WeakPolarHBondContact O-CA 3.33Å; L48-Y56 PolarHBondContact O-N 2.9Å; L48-L57 HydrophobicContact CD1-CB 4.1Å; L48-L57 HydrophobicContact CD1-CD1 3.8Å; L48-G92 PolarHBondContact N-O 2.76Å; L48-F95 HydrophobicContact CB-CE2 4.48Å; L48-F95 HydrophobicContact CB-CZ 4.05Å; L48-F95 HydrophobicContact CD1-CD2 4.45Å; L48-F95 HydrophobicContact CD1-CE2 3.61Å; L48-F95 HydrophobicContact CD1-CZ 3.87Å; L48-F95 HydrophobicContact CG-CE2 3.95Å; L48-F95 HydrophobicContact CG-CZ 4.03Å; L48-Q114 HydrophobicContact CD1-CB 3.88Å; L48-Q114 HydrophobicContact CD2-CB 3.61Å; L48-Q114 HydrophobicContact CD2-CG 4.47Å; L48-Q114 HydrophobicContact CG-CB 4.41Å; L48-L116 HydrophobicContact CB-CD1 4.42Å; L48-L116 HydrophobicContact CD2-CD1 4.31Å
49L97.2Very high96.8Very high97 Ų9751.8 Ų51.851%0.50830%0.301SS..BIsolated β-bridgetrans-75.7116.2178-17864.3000110.8S47 G53S47-L49 VanDerWaalsContact C-N 3.31Å; S47-L49 WeakPolarHBondContact OG-CB 3.23Å; S47-L49 PolarHBondContact OG-N 3.49Å; L49-G53 WeakPolarHBondContact CD1-O 3.45Å
50H95.3Very high96.9Very high76 Ų7651.4 Ų51.435%0.35229%0.292SS..  trans-81.8161.4173.9-172-110.4000111.8L48 S52 G53 N54 Y56 L116L48-H50 PolarHBondContact O-N 3.05Å; H50-S52 WeakPolarHBondContact ND1-CB 3.34Å; H50-S52 PolarHBondContact ND1-N 2.81Å; H50-S52 PolarHBondContact ND1-OG 2.89Å; H50-S52 PolarHBondContact O-N 3.34Å; H50-S52 VanDerWaalsContact O-N 3.1Å; H50-G53 PolarHBondContact O-N 2.77Å; H50-N54 WeakPolarHBondContact CB-O 3.45Å; H50-N54 PolarHBondContact N-O 3.04Å; H50-Y56 HydrophobicContact CB-CD2 3.68Å; H50-Y56 HydrophobicContact CB-CE2 3.37Å; H50-Y56 AromaticContact CG-CE2 3.75Å; H50-L116 HydrophobicContact CB-CD2 3.84Å
51S95.5Very high96.9Very high118 Ų11850.6 Ų50.683%0.82529%0.288SS*.THydrogen-bonded Turntrans-59.5-21.9177.559.80000114.1G53S51-G53 PolarHBondContact O-N 2.92Å
52S95.4Very high96.9Very high66 Ų6650.3 Ų50.346%0.46228%0.279SS..THydrogen-bonded Turntrans-75.9-3.3173.968.40000114H50 N54H50-S52 WeakPolarHBondContact ND1-CB 3.34Å; H50-S52 PolarHBondContact ND1-N 2.81Å; H50-S52 PolarHBondContact ND1-OG 2.89Å; H50-S52 PolarHBondContact O-N 3.34Å; H50-S52 VanDerWaalsContact O-N 3.1Å; S52-N54 VanDerWaalsContact C-N 3.29Å; S52-N54 PolarHBondContact O-N 2.8Å; S52-N54 PolarHBondContact OG-ND2 2.79Å
53G95.5Very high96.9Very high53 Ų5353.5 Ų53.555%0.54629%0.291SS..SBendtrans84.1-3.5-174.300000114.5L49 H50 S51L49-G53 WeakPolarHBondContact CD1-O 3.45Å; H50-G53 PolarHBondContact O-N 2.77Å; S51-G53 PolarHBondContact O-N 2.92Å
54N96.2Very high96.8Very high71 Ų7151.5 Ų51.538%0.3830%0.297SS..  trans-86.3143.6176.9-65.8-37.6000110.7H50 S52 Y56H50-N54 WeakPolarHBondContact CB-O 3.45Å; H50-N54 PolarHBondContact N-O 3.04Å; S52-N54 VanDerWaalsContact C-N 3.29Å; S52-N54 PolarHBondContact O-N 2.8Å; S52-N54 PolarHBondContact OG-ND2 2.79Å; N54-Y56 HydrophobicContact CB-CD2 4.34Å; N54-Y56 HydrophobicContact CB-CE2 3.76Å
55T97.8Very high96.8Very high19 Ų1955.8 Ų55.812%0.11734%0.343CS..BIsolated β-bridgetrans-103.6121.3172.8-58.20000110L48 L57 Y74 I75 F95L48-T55 HydrophobicContact CB-CG2 3.64Å; L48-T55 VanDerWaalsContact O-CA 3.29Å; L48-T55 WeakPolarHBondContact O-CA 3.33Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.89Å; T55-L57 VanDerWaalsContact O-N 3.11Å; T55-Y74 WeakPolarHBondContact O-CA 3.34Å; T55-I75 HydrophobicContact CG2-CD1 3.62Å; T55-I75 HydrophobicContact CG2-CG1 3.82Å; T55-F95 HydrophobicContact CG2-CE1 3.83Å; T55-F95 HydrophobicContact CG2-CZ 3.89Å
56Y96.4Very high96.8Very high45 Ų4556.5 Ų56.518%0.17634%0.338CS..  trans-91.963-171.1-73.8-104.5000111.9L48 H50 N54 Y58 Y74 Q114 G115 L116L48-Y56 PolarHBondContact O-N 2.9Å; H50-Y56 HydrophobicContact CB-CD2 3.68Å; H50-Y56 HydrophobicContact CB-CE2 3.37Å; H50-Y56 AromaticContact CG-CE2 3.75Å; N54-Y56 HydrophobicContact CB-CD2 4.34Å; N54-Y56 HydrophobicContact CB-CE2 3.76Å; Y56-Y58 HydrophobicContact CD1-CE2 4.32Å; Y56-Y58 WeakPolarHBondContact CD1-OH 3.4Å; Y56-Y74 HydrophobicContact CD1-CD1 4.49Å; Y56-Y74 AromaticContact CD1-CE1 3.74Å; Y56-Y74 HydrophobicContact CD1-CE1 3.74Å; Y56-Y74 AromaticContact CE1-CE1 3.63Å; Y56-Y74 HydrophobicContact CE1-CE1 3.63Å; Y56-Y74 HydrophobicContact CG-CE1 4.26Å; Y56-Q114 WeakPolarHBondContact O-CA 3.49Å; Y56-G115 PolarHBondContact O-N 3.5Å; Y56-L116 HydrophobicContact CD2-CD2 3.48Å; Y56-L116 VanDerWaalsContact CD2-CD2 3.48Å; Y56-L116 HydrophobicContact CE2-CD2 4.26Å; Y56-L116 HydrophobicContact CG-CD2 3.79Å
57L98.2Very high97Very high0 Ų057 Ų570%035%0.351CS..EExtended strand (participates in β ladder)trans-103.5135.3169.1-175.884.8000110.4M23 L48 T55 Y74 I75 F95 C112M23-L57 HydrophobicContact CE-CD1 3.92Å; L48-L57 HydrophobicContact CD1-CB 4.1Å; L48-L57 HydrophobicContact CD1-CD1 3.8Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.89Å; T55-L57 VanDerWaalsContact O-N 3.11Å; L57-Y74 PolarHBondContact O-N 2.89Å; L57-I75 HydrophobicContact CB-CG1 4.3Å; L57-I75 PolarHBondContact O-N 2.84Å; L57-F95 HydrophobicContact CB-CD1 4.41Å; L57-F95 HydrophobicContact CB-CE1 4.36Å; L57-F95 HydrophobicContact CD1-CB 4.27Å; L57-F95 HydrophobicContact CD1-CD1 4.47Å; L57-F95 HydrophobicContact CD1-CD2 3.73Å; L57-F95 HydrophobicContact CD1-CE2 4.15Å; L57-F95 HydrophobicContact CD1-CG 3.9Å; L57-F95 HydrophobicContact CD2-CB 3.45Å; L57-F95 VanDerWaalsContact CD2-CB 3.45Å; L57-F95 HydrophobicContact CD2-CD1 3.53Å; L57-F95 HydrophobicContact CD2-CD2 4.17Å; L57-F95 HydrophobicContact CD2-CE1 4.28Å; L57-F95 HydrophobicContact CD2-CG 3.44Å; L57-F95 VanDerWaalsContact CD2-CG 3.44Å; L57-F95 HydrophobicContact CG-CB 4.47Å; L57-F95 HydrophobicContact CG-CD1 4.33Å; L57-F95 HydrophobicContact CG-CD2 4.44Å; L57-F95 HydrophobicContact CG-CG 4.16Å; L57-C112 HydrophobicContact CD1-CB 4.29Å
58Y98.4Very high97.1Very high41 Ų4157.2 Ų57.216%0.16135%0.351CS..EExtended strand (participates in β ladder)trans-125.8145175.3-56.1-97000110.3Y56 L70 I72 Y73 Y74 C112 M113Y56-Y58 HydrophobicContact CD1-CE2 4.32Å; Y56-Y58 WeakPolarHBondContact CD1-OH 3.4Å; Y58-L70 HydrophobicContact CD1-CD1 3.96Å; Y58-I72 CarbonylContact C-O 3.56Å; Y58-I72 VanDerWaalsContact CA-O 3.27Å; Y58-I72 WeakPolarHBondContact CA-O 3.48Å; Y58-Y73 VanDerWaalsContact CD1-CB 3.49Å; Y58-Y74 WeakPolarHBondContact OH-CE1 3.49Å; Y58-C112 CarbonylContact O-C 3.59Å; Y58-C112 WeakPolarHBondContact O-CA 3.38Å; Y58-M113 PolarHBondContact N-O 2.92Å; Y58-M113 PolarHBondContact O-N 3.1Å
59W98.6Very high97.1Very high0 Ų061.5 Ų61.50%037%0.371CS..EExtended strand (participates in β ladder)trans-113.6136.6168.4-70.597.1000109.8I40 C42 L71 I72 L97 Y111 C112I40-W59 HydrophobicContact CB-CH2 4.44Å; I40-W59 HydrophobicContact CG2-CH2 4.03Å; I40-W59 HydrophobicContact CG2-CZ3 3.96Å; I40-W59 WeakPolarHBondContact O-CH2 3.47Å; C42-W59 HydrophobicContact CB-CH2 3.54Å; C42-W59 HydrophobicContact CB-CZ2 3.79Å; C42-W59 HydrophobicContact CB-CZ3 4.45Å; W59-L71 HydrophobicContact CB-CB 4.32Å; W59-L71 HydrophobicContact CB-CD2 4.41Å; W59-L71 WeakPolarHBondContact O-CA 3.36Å; W59-L71 WeakPolarHBondContact O-CB 3.32Å; W59-L71 PolarHBondContact O-N 3.45Å; W59-I72 HydrophobicContact CB-CB 4.14Å; W59-I72 PolarHBondContact N-O 3.16Å; W59-I72 PolarHBondContact O-N 3.32Å; W59-L97 HydrophobicContact CD2-CB 3.67Å; W59-L97 HydrophobicContact CD2-CD2 4.12Å; W59-L97 HydrophobicContact CD2-CG 4.35Å; W59-L97 HydrophobicContact CE3-CB 3.87Å; W59-L97 HydrophobicContact CE3-CD2 3.85Å; W59-L97 HydrophobicContact CE3-CG 4.46Å; W59-L97 HydrophobicContact CG-CB 4.28Å; W59-L97 HydrophobicContact CG-CD1 4.37Å; W59-L97 HydrophobicContact CG-CD2 4.48Å; W59-L97 HydrophobicContact CH2-CB 3.81Å; W59-L97 HydrophobicContact CZ2-CB 3.64Å; W59-L97 VanDerWaalsContact CZ2-N 3.34Å; W59-L97 HydrophobicContact CZ3-CB 3.93Å; W59-L97 HydrophobicContact CZ3-CD2 4.31Å; W59-Y111 CarbonylContact C-O 3.54Å; W59-Y111 WeakPolarHBondContact CA-O 3.33Å; W59-C112 HydrophobicContact CD2-CB 4.21Å; W59-C112 HydrophobicContact CE3-CB 3.94Å; W59-C112 HydrophobicContact CH2-CB 3.93Å; W59-C112 HydrophobicContact CZ2-CB 4.16Å; W59-C112 HydrophobicContact CZ3-CB 3.81Å
60F98.4Very high97.2Very high48 Ų4860.1 Ų60.121%0.21136%0.364CS..EExtended strand (participates in β ladder)trans-122.4144.6175-64.9-96.8000110.2P68 Q69 L70 Y110 Y111 M113F60-P68 HydrophobicContact CB-CB 4.33Å; F60-Q69 CarbonylContact C-O 3.52Å; F60-Q69 WeakPolarHBondContact CA-O 3.49Å; F60-L70 HydrophobicContact CD1-CB 4.27Å; F60-L70 HydrophobicContact CD1-CD1 4.4Å; F60-L70 HydrophobicContact CE1-CB 3.98Å; F60-L70 HydrophobicContact CE1-CD1 3.9Å; F60-L70 HydrophobicContact CE2-CD1 4.31Å; F60-L70 HydrophobicContact CZ-CD1 3.85Å; F60-Y110 CarbonylContact O-C 3.56Å; F60-Y110 VanDerWaalsContact O-CA 3.3Å; F60-Y110 WeakPolarHBondContact O-CA 3.48Å; F60-Y111 PolarHBondContact N-O 3.35Å; F60-Y111 PolarHBondContact O-N 3.03Å; F60-M113 HydrophobicContact CD2-CB 4.32Å; F60-M113 HydrophobicContact CE2-CB 4Å; F60-M113 HydrophobicContact CE2-SD 4.05Å
61L98.1Very high97.3Very high7 Ų756.9 Ų56.94%0.03735%0.349CS..EExtended strand (participates in β ladder)trans-113126170.4171.255.6000109.2R63 Q69 Y110L61-R63 HydrophobicContact CD2-CG 4.35Å; L61-R63 HydrophobicContact CG-CG 4.24Å; L61-Q69 PolarHBondContact N-O 3.09Å; L61-Q69 PolarHBondContact O-N 3.06Å; L61-Y110 HydrophobicContact CB-CD1 4.21Å; L61-Y110 HydrophobicContact CB-CE1 3.98Å; L61-Y110 HydrophobicContact CD1-CD1 4.11Å; L61-Y110 HydrophobicContact CD1-CD2 4.14Å; L61-Y110 HydrophobicContact CD1-CE1 3.71Å; L61-Y110 HydrophobicContact CD1-CE2 3.73Å; L61-Y110 HydrophobicContact CD1-CG 4.32Å; L61-Y110 HydrophobicContact CD2-CE1 4.14Å; L61-Y110 HydrophobicContact CG-CE1 4.15Å
62Q98Very high97.5Very high59 Ų5951.3 Ų51.328%0.27631%0.31SS..EExtended strand (participates in β ladder)trans-111.6107.9169.4-171.2175.31400110.2Q66 P68 G108 V109 Y111Q62-Q66 VanDerWaalsContact CG-O 3.26Å; Q62-Q66 WeakPolarHBondContact CG-O 3.39Å; Q62-Q66 PolarHBondContact NE2-O 2.81Å; Q62-P68 HydrophobicContact CB-CB 4.37Å; Q62-P68 HydrophobicContact CB-CG 4.18Å; Q62-P68 HydrophobicContact CG-CG 4.18Å; Q62-G108 CarbonylContact O-C 3.55Å; Q62-G108 VanDerWaalsContact O-CA 3.26Å; Q62-G108 WeakPolarHBondContact O-CA 3.44Å; Q62-V109 PolarHBondContact N-O 2.75Å; Q62-V109 PolarHBondContact O-N 2.83Å; Q62-Y111 HydrophobicContact CB-CE2 3.85Å; Q62-Y111 PolarHBondContact OE1-OH 3.24Å
63R96.4Very high97.6Very high69 Ų6951.9 Ų51.926%0.2630%0.303SS..  trans-77.4156.3172.4-64.8-173.7-174.1102.1-5.9111L61 G65 Q66 E105L61-R63 HydrophobicContact CD2-CG 4.35Å; L61-R63 HydrophobicContact CG-CG 4.24Å; R63-G65 PolarHBondContact O-N 3.23Å; R63-Q66 HydrophobicContact CB-CB 4.26Å; R63-Q66 HydrophobicContact CB-CG 4.21Å; R63-Q66 PolarHBondContact O-N 2.82Å; R63-E105 PolarHBondContact NE-O 3.21Å; R63-E105 VanDerWaalsContact NE-O 3.08Å
64P96.1Very high97.8Very high105 Ų10553.1 Ų53.168%0.68229%0.291SS*.THydrogen-bonded Turntrans-50.7127.6175.5-27.435.4000112.2Q66 V107P64-Q66 PolarHBondContact O-N 2.97Å; P64-V107 WeakPolarHBondContact CD-O 3.48Å
65G97Very high97.9Very high95 Ų9551 Ų5198%0.97928%0.28SS*.THydrogen-bonded Turntrans72.24.1179.400000115.7R63R63-G65 PolarHBondContact O-N 3.23Å
66Q97.4Very high97.9Very high83 Ų8353.4 Ų53.439%0.38830%0.297SS..SBendtrans-109.4160.1177.4-60.2-172.3-8.300111.4Q62 R63 P64Q62-Q66 VanDerWaalsContact CG-O 3.26Å; Q62-Q66 WeakPolarHBondContact CG-O 3.39Å; Q62-Q66 PolarHBondContact NE2-O 2.81Å; R63-Q66 HydrophobicContact CB-CB 4.26Å; R63-Q66 HydrophobicContact CB-CG 4.21Å; R63-Q66 PolarHBondContact O-N 2.82Å; P64-Q66 PolarHBondContact O-N 2.97Å
67S97.7Very high98Very high83 Ų8354.4 Ų54.458%0.5831%0.306SS*.  trans-74155.3166.557.60000110.7Q69S67-Q69 PolarHBondContact O-N 3.48Å
68P97.8Very high98Very high66 Ų6657.3 Ų57.343%0.42932%0.321SS..  trans-55.2135.2171.2-23.933.7000111.8F60 Q62F60-P68 HydrophobicContact CB-CB 4.33Å; Q62-P68 HydrophobicContact CB-CB 4.37Å; Q62-P68 HydrophobicContact CB-CG 4.18Å; Q62-P68 HydrophobicContact CG-CG 4.18Å
69Q98.3Very high98Very high91 Ų9156.1 Ų56.143%0.42532%0.319SS..EExtended strand (participates in β ladder)trans-117.2140.5176.4-67.1177.524.100109.8F60 L61 S67 L71F60-Q69 CarbonylContact C-O 3.52Å; F60-Q69 WeakPolarHBondContact CA-O 3.49Å; L61-Q69 PolarHBondContact N-O 3.09Å; L61-Q69 PolarHBondContact O-N 3.06Å; S67-Q69 PolarHBondContact O-N 3.48Å; Q69-L71 PolarHBondContact O-N 3.3Å
70L98.6Very high98Very high68 Ų6862.4 Ų62.436%0.35636%0.363SS..EExtended strand (participates in β ladder)trans-65.4127.5176.4-179.266.5000109.6Y58 F60 Y73 A79Y58-L70 HydrophobicContact CD1-CD1 3.96Å; F60-L70 HydrophobicContact CD1-CB 4.27Å; F60-L70 HydrophobicContact CD1-CD1 4.4Å; F60-L70 HydrophobicContact CE1-CB 3.98Å; F60-L70 HydrophobicContact CE1-CD1 3.9Å; F60-L70 HydrophobicContact CE2-CD1 4.31Å; F60-L70 HydrophobicContact CZ-CD1 3.85Å; L70-Y73 HydrophobicContact CD2-CD1 4.38Å; L70-A79 HydrophobicContact CB-CB 4.39Å; L70-A79 HydrophobicContact CD2-CB 4.17Å; L70-A79 HydrophobicContact CG-CB 4.02Å; L70-A79 WeakPolarHBondContact O-CB 3.31Å
71L98.5Very high98Very high8 Ų864 Ų644%0.04239%0.394CS..EExtended strand (participates in β ladder)trans-105.1-54.5179.7-171.276.2000110.7W59 Q69 A79 V82 F86 L97 Y110W59-L71 HydrophobicContact CB-CB 4.32Å; W59-L71 HydrophobicContact CB-CD2 4.41Å; W59-L71 WeakPolarHBondContact O-CA 3.36Å; W59-L71 WeakPolarHBondContact O-CB 3.32Å; W59-L71 PolarHBondContact O-N 3.45Å; Q69-L71 PolarHBondContact O-N 3.3Å; L71-A79 PolarHBondContact O-N 2.85Å; L71-V82 HydrophobicContact CD1-CB 4.42Å; L71-V82 HydrophobicContact CD1-CG1 3.45Å; L71-V82 VanDerWaalsContact CD1-CG1 3.45Å; L71-V82 HydrophobicContact CD1-CG2 4.03Å; L71-V82 HydrophobicContact CG-CG1 4.08Å; L71-F86 HydrophobicContact CD1-CD1 4.03Å; L71-F86 HydrophobicContact CD1-CD2 4.25Å; L71-F86 HydrophobicContact CD1-CE1 4.14Å; L71-F86 HydrophobicContact CD1-CE2 4.37Å; L71-F86 HydrophobicContact CD1-CG 4.07Å; L71-F86 HydrophobicContact CD1-CZ 4.3Å; L71-F86 HydrophobicContact CD2-CD1 3.71Å; L71-F86 HydrophobicContact CD2-CE1 4.08Å; L71-F86 HydrophobicContact CD2-CG 4.34Å; L71-F86 HydrophobicContact CG-CD1 4.27Å; L71-F86 HydrophobicContact CG-CG 4.44Å; L71-L97 HydrophobicContact CD2-CD1 3.8Å; L71-L97 HydrophobicContact CD2-CD2 3.85Å; L71-Y110 HydrophobicContact CD2-CD1 4.09Å; L71-Y110 HydrophobicContact CD2-CE1 3.85Å
72I98.8Very high98Very high0 Ų065 Ų650%040%0.4CS..EExtended strand (participates in β ladder)trans-136.6140.8-178.5-64.3178.1000109.3Y58 W59 I75 N77 L78 S87 L97Y58-I72 CarbonylContact C-O 3.56Å; Y58-I72 VanDerWaalsContact CA-O 3.27Å; Y58-I72 WeakPolarHBondContact CA-O 3.48Å; W59-I72 HydrophobicContact CB-CB 4.14Å; W59-I72 PolarHBondContact N-O 3.16Å; W59-I72 PolarHBondContact O-N 3.32Å; I72-I75 VanDerWaalsContact CG2-C 3.49Å; I72-I75 WeakPolarHBondContact CG2-O 3.32Å; I72-N77 CarbonylContact C-O 3.49Å; I72-N77 WeakPolarHBondContact CA-O 3.37Å; I72-N77 WeakPolarHBondContact CG2-O 2.98Å; I72-L78 HydrophobicContact CD1-CD2 4.04Å; I72-L78 HydrophobicContact CG1-CD2 3.73Å; I72-S87 VanDerWaalsContact CD1-C 3.48Å; I72-L97 HydrophobicContact CD1-CD1 3.67Å
73Y98.4Very high98Very high79 Ų7964.3 Ų64.331%0.3140%0.401SS..EExtended strand (participates in β ladder)trans-126.8157.3172.266.7-81.1000110.8Y58 L70 I75 N77Y58-Y73 VanDerWaalsContact CD1-CB 3.49Å; L70-Y73 HydrophobicContact CD2-CD1 4.38Å; Y73-I75 VanDerWaalsContact C-N 3.34Å; Y73-I75 PolarHBondContact O-N 2.81Å; Y73-N77 HydrophobicContact CD1-CB 3.9Å; Y73-N77 VanDerWaalsContact CD1-O 3.26Å; Y73-N77 WeakPolarHBondContact CD1-O 3.34Å; Y73-N77 HydrophobicContact CD2-CB 4Å; Y73-N77 HydrophobicContact CE1-CB 3.56Å; Y73-N77 HydrophobicContact CE2-CB 3.68Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.19Å; Y73-N77 HydrophobicContact CG-CB 4.11Å; Y73-N77 VanDerWaalsContact CZ-CB 3.43Å; Y73-N77 PolarHBondContact N-O 3.28Å; Y73-N77 VanDerWaalsContact O-CB 3.31Å; Y73-N77 WeakPolarHBondContact O-CB 3.46Å; Y73-N77 PolarHBondContact O-N 2.97Å
74Y97.8Very high98.1Very high78 Ų7867.1 Ų67.131%0.30642%0.421SS..THydrogen-bonded Turntrans48.552.1-176.4-58.3-37000113.6T55 Y56 L57 Y58 S76T55-Y74 WeakPolarHBondContact O-CA 3.34Å; Y56-Y74 HydrophobicContact CD1-CD1 4.49Å; Y56-Y74 AromaticContact CD1-CE1 3.74Å; Y56-Y74 HydrophobicContact CD1-CE1 3.74Å; Y56-Y74 AromaticContact CE1-CE1 3.63Å; Y56-Y74 HydrophobicContact CE1-CE1 3.63Å; Y56-Y74 HydrophobicContact CG-CE1 4.26Å; L57-Y74 PolarHBondContact O-N 2.89Å; Y58-Y74 WeakPolarHBondContact OH-CE1 3.49Å; Y74-S76 PolarHBondContact O-N 2.92Å
75I98.2Very high98.2Very high27 Ų2762.8 Ų62.814%0.13839%0.391CS..THydrogen-bonded Turntrans68.3-49.3-178.1-55.3162.8000114.6T55 L57 I72 Y73 G88 F95T55-I75 HydrophobicContact CG2-CD1 3.62Å; T55-I75 HydrophobicContact CG2-CG1 3.82Å; L57-I75 HydrophobicContact CB-CG1 4.3Å; L57-I75 PolarHBondContact O-N 2.84Å; I72-I75 VanDerWaalsContact CG2-C 3.49Å; I72-I75 WeakPolarHBondContact CG2-O 3.32Å; Y73-I75 VanDerWaalsContact C-N 3.34Å; Y73-I75 PolarHBondContact O-N 2.81Å; I75-G88 CarbonylContact O-C 3.54Å; I75-G88 WeakPolarHBondContact O-CA 2.95Å; I75-F95 HydrophobicContact CD1-CE1 4.32Å; I75-F95 HydrophobicContact CG1-CD1 4.34Å; I75-F95 HydrophobicContact CG1-CE1 4.09Å
76S98.3Very high98.2Very high70 Ų7058.4 Ų58.449%0.4935%0.345SS..THydrogen-bonded Turntrans-133.5-8.2-164.259.70000115.7Y74 G88Y74-S76 PolarHBondContact O-N 2.92Å; S76-G88 WeakPolarHBondContact CB-O 3.27Å
77N98.6Very high98.3Very high66 Ų6657 Ų5735%0.35334%0.344SS..EExtended strand (participates in β ladder)trans-82122.7-178.4-61.3-22.7000110.6I72 Y73I72-N77 CarbonylContact C-O 3.49Å; I72-N77 WeakPolarHBondContact CA-O 3.37Å; I72-N77 WeakPolarHBondContact CG2-O 2.98Å; Y73-N77 HydrophobicContact CD1-CB 3.9Å; Y73-N77 VanDerWaalsContact CD1-O 3.26Å; Y73-N77 WeakPolarHBondContact CD1-O 3.34Å; Y73-N77 HydrophobicContact CD2-CB 4Å; Y73-N77 HydrophobicContact CE1-CB 3.56Å; Y73-N77 HydrophobicContact CE2-CB 3.68Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.19Å; Y73-N77 HydrophobicContact CG-CB 4.11Å; Y73-N77 VanDerWaalsContact CZ-CB 3.43Å; Y73-N77 PolarHBondContact N-O 3.28Å; Y73-N77 VanDerWaalsContact O-CB 3.31Å; Y73-N77 WeakPolarHBondContact O-CB 3.46Å; Y73-N77 PolarHBondContact O-N 2.97Å
78L98.8Very high98.3Very high61 Ų6153.6 Ų53.632%0.31932%0.322SS..EExtended strand (participates in β ladder)trans-73.2136.6176.5-66.4166.6000110.6I72 V82 F86I72-L78 HydrophobicContact CD1-CD2 4.04Å; I72-L78 HydrophobicContact CG1-CD2 3.73Å; L78-V82 HydrophobicContact CB-CB 4.31Å; L78-V82 HydrophobicContact CD2-CB 4.23Å; L78-V82 HydrophobicContact CD2-CG1 3.6Å; L78-F86 HydrophobicContact CD2-CB 3.82Å; L78-F86 WeakPolarHBondContact CD2-O 3.43Å
79A98.7Very high98.4Very high15 Ų1553.4 Ų53.412%0.12432%0.322CS..PPolyproline II helixtrans-67.7159.2168.600000111L70 L71 G81 V82L70-A79 HydrophobicContact CB-CB 4.39Å; L70-A79 HydrophobicContact CD2-CB 4.17Å; L70-A79 HydrophobicContact CG-CB 4.02Å; L70-A79 WeakPolarHBondContact O-CB 3.31Å; L71-A79 PolarHBondContact O-N 2.85Å; A79-G81 PolarHBondContact O-N 3.43Å; A79-V82 HydrophobicContact CB-CG2 3.94Å; A79-V82 WeakPolarHBondContact O-CB 3.39Å; A79-V82 WeakPolarHBondContact O-CG2 3.37Å; A79-V82 PolarHBondContact O-N 2.88Å; A79-V82 VanDerWaalsContact O-N 3.09Å
80S98.3Very high98.4Very high132 Ų13250.7 Ų50.792%0.92332%0.318SS*.THydrogen-bonded Turntrans-55.6128.8-180-59.40000112V82S80-V82 VanDerWaalsContact C-N 3.29Å; S80-V82 PolarHBondContact O-N 2.01Å
81G97.8Very high98.2Very high83 Ų8351.8 Ų51.886%0.85633%0.332SS*.THydrogen-bonded Turntrans82.2-1.3179.200000115A79 P83A79-G81 PolarHBondContact O-N 3.43Å; G81-P83 WeakPolarHBondContact O-CD 3.21Å
82V98.3Very high98.1Very high28 Ų2852.8 Ų52.817%0.1734%0.344CS..  trans-77.5127.1174.1179.70000109.9L71 L78 A79 S80 F86L71-V82 HydrophobicContact CD1-CB 4.42Å; L71-V82 HydrophobicContact CD1-CG1 3.45Å; L71-V82 VanDerWaalsContact CD1-CG1 3.45Å; L71-V82 HydrophobicContact CD1-CG2 4.03Å; L71-V82 HydrophobicContact CG-CG1 4.08Å; L78-V82 HydrophobicContact CB-CB 4.31Å; L78-V82 HydrophobicContact CD2-CB 4.23Å; L78-V82 HydrophobicContact CD2-CG1 3.6Å; A79-V82 HydrophobicContact CB-CG2 3.94Å; A79-V82 WeakPolarHBondContact O-CB 3.39Å; A79-V82 WeakPolarHBondContact O-CG2 3.37Å; A79-V82 PolarHBondContact O-N 2.88Å; A79-V82 VanDerWaalsContact O-N 3.09Å; S80-V82 VanDerWaalsContact C-N 3.29Å; S80-V82 PolarHBondContact O-N 2.01Å; V82-F86 HydrophobicContact CG1-CB 4.03Å; V82-F86 HydrophobicContact CG1-CD2 3.71Å; V82-F86 HydrophobicContact CG1-CE2 4.49Å; V82-F86 HydrophobicContact CG1-CG 4.06Å
83P98.3Very high98Very high44 Ų4455 Ų5529%0.28636%0.358SS..  trans-61.1148.8178.7-27.437.2000113.9G81 R85 F86G81-P83 WeakPolarHBondContact O-CD 3.21Å; P83-R85 HydrophobicContact CB-CG 4.1Å; P83-R85 PolarHBondContact O-N 2.84Å; P83-F86 HydrophobicContact CB-CD2 4.26Å; P83-F86 HydrophobicContact CB-CE2 4.47Å; P83-F86 HydrophobicContact CG-CE2 4.37Å; P83-F86 WeakPolarHBondContact O-CD2 3.34Å; P83-F86 PolarHBondContact O-N 2.9Å; P83-F86 VanDerWaalsContact O-N 3.16Å
84D98Very high98Very high127 Ų12754.6 Ų54.668%0.67936%0.361SS*.THydrogen-bonded Turntrans-65.1-11.2179.172.1-11.3000114.2F86 R101D84-F86 PolarHBondContact O-N 2.84Å; D84-R101 IonicContact OD1-NH2 3.43Å
85R98.1Very high98Very high14 Ų1451 Ų515%0.05335%0.347CS..THydrogen-bonded Turntrans-66.7-21.7175.685.2-177.5166.5-107.2-7.3112.1P83 I99 S100 E103 E105 D106P83-R85 HydrophobicContact CB-CG 4.1Å; P83-R85 PolarHBondContact O-N 2.84Å; R85-I99 HydrophobicContact CG-CG2 4.44Å; R85-S100 VanDerWaalsContact CA-OG 3.31Å; R85-S100 WeakPolarHBondContact CA-OG 3.41Å; R85-S100 VanDerWaalsContact CB-O 3.23Å; R85-S100 WeakPolarHBondContact CB-O 3.39Å; R85-S100 WeakPolarHBondContact CG-O 3.14Å; R85-S100 PolarHBondContact O-N 3.03Å; R85-S100 PolarHBondContact O-OG 3.11Å; R85-E103 VanDerWaalsContact CZ-CD 3.47Å; R85-E103 IonicContact CZ-OE1 3.61Å; R85-E103 IonicContact CZ-OE2 3.64Å; R85-E103 IonicContact NE-OE1 2.9Å; R85-E103 IonicContact NH1-OE1 2.88Å; R85-E103 PolarHBondContact NH1-OE1 3.24Å; R85-E103 IonicContact NH1-OE2 2.85Å; R85-E103 PolarHBondContact NH1-OE2 2.9Å; R85-E103 IonicContact NH2-OE2 3.32Å; R85-E105 IonicContact CZ-OE1 3.97Å; R85-E105 IonicContact NH1-OE1 3.28Å; R85-E105 IonicContact NH2-OE1 3.9Å; R85-E105 PolarHBondContact NH2-OE1 2.85Å; R85-D106 IonicContact CZ-OD1 3.92Å; R85-D106 IonicContact CZ-OD2 2.93Å; R85-D106 IonicContact NE-OD1 2.75Å; R85-D106 PolarHBondContact NE-OD1 3.43Å; R85-D106 IonicContact NE-OD2 2.91Å; R85-D106 PolarHBondContact NE-OD2 2.83Å; R85-D106 IonicContact NH2-OD1 3.63Å; R85-D106 PolarHBondContact NH2-OD1 3.06Å; R85-D106 IonicContact NH2-OD2 3.57Å
86F98.7Very high98Very high4 Ų451.5 Ų51.52%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-85.9138.3171.9-65.6-84.1000111L71 L78 V82 P83 D84 L97 R98 I99 D106 Y110L71-F86 HydrophobicContact CD1-CD1 4.03Å; L71-F86 HydrophobicContact CD1-CD2 4.25Å; L71-F86 HydrophobicContact CD1-CE1 4.14Å; L71-F86 HydrophobicContact CD1-CE2 4.37Å; L71-F86 HydrophobicContact CD1-CG 4.07Å; L71-F86 HydrophobicContact CD1-CZ 4.3Å; L71-F86 HydrophobicContact CD2-CD1 3.71Å; L71-F86 HydrophobicContact CD2-CE1 4.08Å; L71-F86 HydrophobicContact CD2-CG 4.34Å; L71-F86 HydrophobicContact CG-CD1 4.27Å; L71-F86 HydrophobicContact CG-CG 4.44Å; L78-F86 HydrophobicContact CD2-CB 3.82Å; L78-F86 WeakPolarHBondContact CD2-O 3.43Å; V82-F86 HydrophobicContact CG1-CB 4.03Å; V82-F86 HydrophobicContact CG1-CD2 3.71Å; V82-F86 HydrophobicContact CG1-CE2 4.49Å; V82-F86 HydrophobicContact CG1-CG 4.06Å; P83-F86 HydrophobicContact CB-CD2 4.26Å; P83-F86 HydrophobicContact CB-CE2 4.47Å; P83-F86 HydrophobicContact CG-CE2 4.37Å; P83-F86 WeakPolarHBondContact O-CD2 3.34Å; P83-F86 PolarHBondContact O-N 2.9Å; P83-F86 VanDerWaalsContact O-N 3.16Å; D84-F86 PolarHBondContact O-N 2.84Å; F86-L97 HydrophobicContact CD1-CD1 4.48Å; F86-R98 CarbonylContact C-O 3.57Å; F86-R98 WeakPolarHBondContact CA-O 3.13Å; F86-I99 HydrophobicContact CD1-CB 4.4Å; F86-I99 HydrophobicContact CD1-CD1 4.34Å; F86-I99 HydrophobicContact CD1-CG1 3.78Å; F86-I99 HydrophobicContact CD1-CG2 4.14Å; F86-I99 HydrophobicContact CE1-CB 4.34Å; F86-I99 HydrophobicContact CE1-CD1 3.78Å; F86-I99 HydrophobicContact CE1-CG1 3.7Å; F86-I99 HydrophobicContact CE1-CG2 3.82Å; F86-I99 HydrophobicContact CZ-CG2 4.22Å; F86-D106 VanDerWaalsContact CZ-OD1 3.26Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.48Å; F86-Y110 HydrophobicContact CE1-CE1 4.02Å
87S98.7Very high98Very high54 Ų5448.2 Ų48.238%0.37833%0.328SS..EExtended strand (participates in β ladder)trans-149.6146.5174.355.40000110.5I72 R98I72-S87 VanDerWaalsContact CD1-C 3.48Å; S87-R98 PolarHBondContact N-O 3.27Å; S87-R98 PolarHBondContact O-N 2.88Å
88G98.6Very high98Very high11 Ų1149.8 Ų49.811%0.11333%0.329CS..EExtended strand (participates in β ladder)trans-121.4145.5176.900000110.6I75 S76 T96I75-G88 CarbonylContact O-C 3.54Å; I75-G88 WeakPolarHBondContact O-CA 2.95Å; S76-G88 WeakPolarHBondContact CB-O 3.27Å; G88-T96 CarbonylContact C-O 3.51Å; G88-T96 WeakPolarHBondContact CA-O 3.38Å
89S98.4Very high98Very high62 Ų6247 Ų4743%0.43432%0.315SS..EExtended strand (participates in β ladder)trans-146.5165.2-178.866.10000111F95 T96S89-F95 CarbonylContact O-C 3.57Å; S89-F95 WeakPolarHBondContact O-CA 3.45Å; S89-T96 PolarHBondContact N-O 2.99Å; S89-T96 PolarHBondContact O-N 2.85Å
90G97.7Very high98Very high33 Ų3347.6 Ų47.634%0.3432%0.318SS..EExtended strand (participates in β ladder)trans130.3173176.900000113.4D94G90-D94 WeakPolarHBondContact CA-O 3.26Å
91S96.2Very high98Very high91 Ų9147.9 Ų47.964%0.63630%0.299SS*.EExtended strand (participates in β ladder)trans-162.5162.417863.20000109.9T93 D94S91-T93 PolarHBondContact O-N 2.98Å; S91-D94 PolarHBondContact N-O 2.68Å; S91-D94 PolarHBondContact O-N 3.47Å
92G95.2Very high98Very high29 Ų2944.6 Ų44.630%0.29926%0.262SS..THydrogen-bonded Turntrans61.6-104.5-17800000111S47 L48 F95S47-G92 WeakPolarHBondContact CA-O 3.31Å; L48-G92 PolarHBondContact N-O 2.76Å; G92-F95 VanDerWaalsContact O-CZ 3.31Å; G92-F95 WeakPolarHBondContact O-CZ 3.46Å
93T97.6Very high98Very high48 Ų4847 Ų4729%0.29427%0.272SS..THydrogen-bonded Turntrans-112.3-11.4-174.849.30000114.9R43 S44 S91R43-T93 CarbonylContact C-O 3.19Å; R43-T93 WeakPolarHBondContact CA-O 3.41Å; S44-T93 PolarHBondContact N-O 3.47Å; S44-T93 WeakPolarHBondContact O-CB 3.35Å; S44-T93 WeakPolarHBondContact O-CG2 3.38Å; S44-T93 WeakPolarHBondContact OG-CA 3.21Å; S91-T93 PolarHBondContact O-N 2.98Å
94D98.2Very high97.9Very high70 Ų7049 Ų4937%0.37429%0.292SS..EExtended strand (participates in β ladder)trans-121.3123.6-169.2-65.6-95.5000110.5R43 G90 S91R43-D94 IonicContact CZ-OD1 3.53Å; R43-D94 VanDerWaalsContact CZ-OD1 3.32Å; R43-D94 IonicContact NE-OD1 2.79Å; R43-D94 PolarHBondContact NE-OD1 3.34Å; R43-D94 IonicContact NH2-OD1 3.59Å; R43-D94 PolarHBondContact NH2-OD1 3.09Å; G90-D94 WeakPolarHBondContact CA-O 3.26Å; S91-D94 PolarHBondContact N-O 2.68Å; S91-D94 PolarHBondContact O-N 3.47Å
95F98.3Very high97.7Very high2 Ų247.8 Ų47.81%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-133.5150.7-172.7-54.2-78.4000111.5S41 C42 L48 T55 L57 I75 S89 G92S41-F95 WeakPolarHBondContact CA-O 3.26Å; C42-F95 PolarHBondContact N-O 3.37Å; C42-F95 PolarHBondContact O-N 3.43Å; L48-F95 HydrophobicContact CB-CE2 4.48Å; L48-F95 HydrophobicContact CB-CZ 4.05Å; L48-F95 HydrophobicContact CD1-CD2 4.45Å; L48-F95 HydrophobicContact CD1-CE2 3.61Å; L48-F95 HydrophobicContact CD1-CZ 3.87Å; L48-F95 HydrophobicContact CG-CE2 3.95Å; L48-F95 HydrophobicContact CG-CZ 4.03Å; T55-F95 HydrophobicContact CG2-CE1 3.83Å; T55-F95 HydrophobicContact CG2-CZ 3.89Å; L57-F95 HydrophobicContact CB-CD1 4.41Å; L57-F95 HydrophobicContact CB-CE1 4.36Å; L57-F95 HydrophobicContact CD1-CB 4.27Å; L57-F95 HydrophobicContact CD1-CD1 4.47Å; L57-F95 HydrophobicContact CD1-CD2 3.73Å; L57-F95 HydrophobicContact CD1-CE2 4.15Å; L57-F95 HydrophobicContact CD1-CG 3.9Å; L57-F95 HydrophobicContact CD2-CB 3.45Å; L57-F95 VanDerWaalsContact CD2-CB 3.45Å; L57-F95 HydrophobicContact CD2-CD1 3.53Å; L57-F95 HydrophobicContact CD2-CD2 4.17Å; L57-F95 HydrophobicContact CD2-CE1 4.28Å; L57-F95 HydrophobicContact CD2-CG 3.44Å; L57-F95 VanDerWaalsContact CD2-CG 3.44Å; L57-F95 HydrophobicContact CG-CB 4.47Å; L57-F95 HydrophobicContact CG-CD1 4.33Å; L57-F95 HydrophobicContact CG-CD2 4.44Å; L57-F95 HydrophobicContact CG-CG 4.16Å; I75-F95 HydrophobicContact CD1-CE1 4.32Å; I75-F95 HydrophobicContact CG1-CD1 4.34Å; I75-F95 HydrophobicContact CG1-CE1 4.09Å; S89-F95 CarbonylContact O-C 3.57Å; S89-F95 WeakPolarHBondContact O-CA 3.45Å; G92-F95 VanDerWaalsContact O-CZ 3.31Å; G92-F95 WeakPolarHBondContact O-CZ 3.46Å
96T98.2Very high97.7Very high38 Ų3847.5 Ų47.523%0.23328%0.282CS..EExtended strand (participates in β ladder)trans-136.8128.6-179.4-60.80000110I40 G88 S89I40-T96 WeakPolarHBondContact O-CA 2.92Å; G88-T96 CarbonylContact C-O 3.51Å; G88-T96 WeakPolarHBondContact CA-O 3.38Å; S89-T96 PolarHBondContact N-O 2.99Å; S89-T96 PolarHBondContact O-N 2.85Å
97L98.4Very high97.6Very high0 Ų052.1 Ų52.10%031%0.31CS..EExtended strand (participates in β ladder)trans-90.9132.2160.3174.265.7000108.1S39 I40 W59 L71 I72 F86 Y110S39-L97 CarbonylContact C-O 3.52Å; S39-L97 VanDerWaalsContact CA-O 3.26Å; S39-L97 WeakPolarHBondContact CA-O 3.2Å; I40-L97 HydrophobicContact CB-CB 4.37Å; I40-L97 HydrophobicContact CD1-CD2 4.24Å; I40-L97 PolarHBondContact N-O 2.75Å; I40-L97 PolarHBondContact O-N 2.91Å; W59-L97 HydrophobicContact CD2-CB 3.67Å; W59-L97 HydrophobicContact CD2-CD2 4.12Å; W59-L97 HydrophobicContact CD2-CG 4.35Å; W59-L97 HydrophobicContact CE3-CB 3.87Å; W59-L97 HydrophobicContact CE3-CD2 3.85Å; W59-L97 HydrophobicContact CE3-CG 4.46Å; W59-L97 HydrophobicContact CG-CB 4.28Å; W59-L97 HydrophobicContact CG-CD1 4.37Å; W59-L97 HydrophobicContact CG-CD2 4.48Å; W59-L97 HydrophobicContact CH2-CB 3.81Å; W59-L97 HydrophobicContact CZ2-CB 3.64Å; W59-L97 VanDerWaalsContact CZ2-N 3.34Å; W59-L97 HydrophobicContact CZ3-CB 3.93Å; W59-L97 HydrophobicContact CZ3-CD2 4.31Å; L71-L97 HydrophobicContact CD2-CD1 3.8Å; L71-L97 HydrophobicContact CD2-CD2 3.85Å; I72-L97 HydrophobicContact CD1-CD1 3.67Å; F86-L97 HydrophobicContact CD1-CD1 4.48Å; L97-Y110 HydrophobicContact CD2-CD1 3.33Å; L97-Y110 HydrophobicContact CD2-CE1 3.83Å; L97-Y110 HydrophobicContact CD2-CG 4.03Å
98R98.2Very high97.5Very high99 Ų9951 Ų5137%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-120.7132.4173.6176.1167.7-173.574.6-3.8110V38 S39 F86 S87V38-R98 WeakPolarHBondContact O-CA 3.26Å; S39-R98 PolarHBondContact OG-NH1 2.91Å; F86-R98 CarbonylContact C-O 3.57Å; F86-R98 WeakPolarHBondContact CA-O 3.13Å; S87-R98 PolarHBondContact N-O 3.27Å; S87-R98 PolarHBondContact O-N 2.88Å
99I98.3Very high97.4Very high4 Ų454 Ų542%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-113.6114.6173.1-44.5175000105.9S37 V38 R85 F86 V102 Y110S37-I99 CarbonylContact C-O 3.53Å; S37-I99 WeakPolarHBondContact CA-O 3.3Å; V38-I99 HydrophobicContact CG2-CB 3.99Å; V38-I99 HydrophobicContact CG2-CD1 4.07Å; V38-I99 HydrophobicContact CG2-CG1 4.23Å; V38-I99 PolarHBondContact N-O 3.43Å; V38-I99 PolarHBondContact O-N 2.93Å; R85-I99 HydrophobicContact CG-CG2 4.44Å; F86-I99 HydrophobicContact CD1-CB 4.4Å; F86-I99 HydrophobicContact CD1-CD1 4.34Å; F86-I99 HydrophobicContact CD1-CG1 3.78Å; F86-I99 HydrophobicContact CD1-CG2 4.14Å; F86-I99 HydrophobicContact CE1-CB 4.34Å; F86-I99 HydrophobicContact CE1-CD1 3.78Å; F86-I99 HydrophobicContact CE1-CG1 3.7Å; F86-I99 HydrophobicContact CE1-CG2 3.82Å; F86-I99 HydrophobicContact CZ-CG2 4.22Å; I99-V102 HydrophobicContact CB-CG2 4.2Å; I99-V102 HydrophobicContact CG2-CG2 3.95Å; I99-Y110 HydrophobicContact CD1-CE1 4.05Å; I99-Y110 HydrophobicContact CD1-CE2 4.07Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.48Å
100S98.1Very high97.3Very high27 Ų2752 Ų5219%0.18931%0.305CS..SBendtrans-90.8151.3169.363.30000109.5R85 V102R85-S100 VanDerWaalsContact CA-OG 3.31Å; R85-S100 WeakPolarHBondContact CA-OG 3.41Å; R85-S100 VanDerWaalsContact CB-O 3.23Å; R85-S100 WeakPolarHBondContact CB-O 3.39Å; R85-S100 WeakPolarHBondContact CG-O 3.14Å; R85-S100 PolarHBondContact O-N 3.03Å; R85-S100 PolarHBondContact O-OG 3.11Å; S100-V102 PolarHBondContact O-N 3.35Å
101R98Very high97.3Very high137 Ų13754.9 Ų54.952%0.51731%0.307SS..SBendtrans47.459.7177.6-58.1-178.4-64.1-84.50.8112.3E36 D84 E103E36-R101 WeakPolarHBondContact O-CA 3.3Å; E36-R101 PolarHBondContact O-N 3.37Å; D84-R101 IonicContact OD1-NH2 3.43Å; R101-E103 PolarHBondContact O-N 2.84Å
102V98.3Very high97.4Very high15 Ų1551 Ų519%0.09128%0.28CS..  trans-51.1138.1-178.5170.90000111A32 P34 G35 E36 V38 I99 S100 D106A32-V102 HydrophobicContact CB-CB 4.38Å; A32-V102 HydrophobicContact CB-CG1 4Å; A32-V102 HydrophobicContact CB-CG2 4.13Å; P34-V102 CarbonylContact C-O 3.58Å; P34-V102 VanDerWaalsContact CA-O 3.24Å; P34-V102 WeakPolarHBondContact CA-O 3.24Å; G35-V102 PolarHBondContact N-O 2.95Å; E36-V102 PolarHBondContact O-N 2.92Å; V38-V102 HydrophobicContact CG2-CG2 3.83Å; I99-V102 HydrophobicContact CB-CG2 4.2Å; I99-V102 HydrophobicContact CG2-CG2 3.95Å; S100-V102 PolarHBondContact O-N 3.35Å; V102-D106 HydrophobicContact CG1-CB 4.36Å
103E98Very high97.4Very high79 Ų7953.9 Ų53.937%0.36929%0.286SS..  trans-118.5163.4177.2-70.4171.6-155.400111.2R85 R101 E105 D106R85-E103 VanDerWaalsContact CZ-CD 3.47Å; R85-E103 IonicContact CZ-OE1 3.61Å; R85-E103 IonicContact CZ-OE2 3.64Å; R85-E103 IonicContact NE-OE1 2.9Å; R85-E103 IonicContact NH1-OE1 2.88Å; R85-E103 PolarHBondContact NH1-OE1 3.24Å; R85-E103 IonicContact NH1-OE2 2.85Å; R85-E103 PolarHBondContact NH1-OE2 2.9Å; R85-E103 IonicContact NH2-OE2 3.32Å; R101-E103 PolarHBondContact O-N 2.84Å; E103-E105 HydrophobicContact CB-CG 3.93Å; E103-E105 PolarHBondContact O-N 2.92Å; E103-D106 PolarHBondContact N-OD2 2.88Å; E103-D106 WeakPolarHBondContact O-CB 3.31Å; E103-D106 PolarHBondContact O-N 3.19Å
104A95.8Very high97.4Very high86 Ų8652.7 Ų52.771%0.71128%0.278SS*.G310 helixtrans-61.3-26.7-179.400000113.2D106 V107A104-D106 VanDerWaalsContact C-N 3.26Å; A104-D106 PolarHBondContact O-N 3.44Å; A104-V107 WeakPolarHBondContact O-CG2 3.29Å
105E95.5Very high97.2Very high100 Ų10049.8 Ų49.847%0.46726%0.264SS..G310 helixtrans-76.1-8.4177.460.9-177.3-13500114.6R63 R85 E103R63-E105 PolarHBondContact NE-O 3.21Å; R63-E105 VanDerWaalsContact NE-O 3.08Å; R85-E105 IonicContact CZ-OE1 3.97Å; R85-E105 IonicContact NH1-OE1 3.28Å; R85-E105 IonicContact NH2-OE1 3.9Å; R85-E105 PolarHBondContact NH2-OE1 2.85Å; E103-E105 HydrophobicContact CB-CG 3.93Å; E103-E105 PolarHBondContact O-N 2.92Å
106D96.8Very high96.9Very high9 Ų952 Ų525%0.04828%0.275CS..G310 helixtrans-84-1.3177.6-59-26.1000111.9R85 F86 V102 E103 A104 G108 Y110R85-D106 IonicContact CZ-OD1 3.92Å; R85-D106 IonicContact CZ-OD2 2.93Å; R85-D106 IonicContact NE-OD1 2.75Å; R85-D106 PolarHBondContact NE-OD1 3.43Å; R85-D106 IonicContact NE-OD2 2.91Å; R85-D106 PolarHBondContact NE-OD2 2.83Å; R85-D106 IonicContact NH2-OD1 3.63Å; R85-D106 PolarHBondContact NH2-OD1 3.06Å; R85-D106 IonicContact NH2-OD2 3.57Å; F86-D106 VanDerWaalsContact CZ-OD1 3.26Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.48Å; V102-D106 HydrophobicContact CG1-CB 4.36Å; E103-D106 PolarHBondContact N-OD2 2.88Å; E103-D106 WeakPolarHBondContact O-CB 3.31Å; E103-D106 PolarHBondContact O-N 3.19Å; A104-D106 VanDerWaalsContact C-N 3.26Å; A104-D106 PolarHBondContact O-N 3.44Å; D106-G108 PolarHBondContact O-N 3.33Å; D106-Y110 PolarHBondContact O-OH 2.65Å
107V96.4Very high96.3Very high101 Ų10153.4 Ų53.461%0.61228%0.279SS*.  trans-67.5115174.2177.10000110.1P64 A104P64-V107 WeakPolarHBondContact CD-O 3.48Å; A104-V107 WeakPolarHBondContact O-CG2 3.29Å
108G96.5Very high95.3Very high29 Ų2961.6 Ų61.630%0.29931%0.312SS..SBendtrans177.5-174.9177.300000112.6Q62 D106Q62-G108 CarbonylContact O-C 3.55Å; Q62-G108 VanDerWaalsContact O-CA 3.26Å; Q62-G108 WeakPolarHBondContact O-CA 3.44Å; D106-G108 PolarHBondContact O-N 3.33Å
109V96.9Very high93.7Very high75 Ų7566.3 Ų66.346%0.45536%0.355SS..EExtended strand (participates in β ladder)trans-98.2129.6174-169.80000108.9Q62 Y111Q62-V109 PolarHBondContact N-O 2.75Å; Q62-V109 PolarHBondContact O-N 2.83Å; V109-Y111 HydrophobicContact CB-CE2 3.91Å; V109-Y111 HydrophobicContact CG1-CD1 4.39Å; V109-Y111 HydrophobicContact CG1-CD2 4.42Å; V109-Y111 HydrophobicContact CG1-CE1 3.7Å; V109-Y111 HydrophobicContact CG1-CE2 3.73Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.4Å
110Y97.5Very high93.4Very high19 Ų1969.4 Ų69.48%0.07537%0.371CS..EExtended strand (participates in β ladder)trans-105.4128.8178.1-68.6-94.1000110.1Q25 I40 F60 L61 L71 F86 L97 I99 D106Q25-Y110 PolarHBondContact NE2-O 3.05Å; I40-Y110 HydrophobicContact CD1-CD1 4.5Å; I40-Y110 HydrophobicContact CD1-CD2 3.76Å; I40-Y110 HydrophobicContact CD1-CE2 4.42Å; I40-Y110 HydrophobicContact CD1-CG 3.79Å; F60-Y110 CarbonylContact O-C 3.56Å; F60-Y110 VanDerWaalsContact O-CA 3.3Å; F60-Y110 WeakPolarHBondContact O-CA 3.48Å; L61-Y110 HydrophobicContact CB-CD1 4.21Å; L61-Y110 HydrophobicContact CB-CE1 3.98Å; L61-Y110 HydrophobicContact CD1-CD1 4.11Å; L61-Y110 HydrophobicContact CD1-CD2 4.14Å; L61-Y110 HydrophobicContact CD1-CE1 3.71Å; L61-Y110 HydrophobicContact CD1-CE2 3.73Å; L61-Y110 HydrophobicContact CD1-CG 4.32Å; L61-Y110 HydrophobicContact CD2-CE1 4.14Å; L61-Y110 HydrophobicContact CG-CE1 4.15Å; L71-Y110 HydrophobicContact CD2-CD1 4.09Å; L71-Y110 HydrophobicContact CD2-CE1 3.85Å; F86-Y110 HydrophobicContact CE1-CE1 4.02Å; L97-Y110 HydrophobicContact CD2-CD1 3.33Å; L97-Y110 HydrophobicContact CD2-CE1 3.83Å; L97-Y110 HydrophobicContact CD2-CG 4.03Å; I99-Y110 HydrophobicContact CD1-CE1 4.05Å; I99-Y110 HydrophobicContact CD1-CE2 4.07Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.48Å; D106-Y110 PolarHBondContact O-OH 2.65Å
111Y97Very high93.2Very high95 Ų9571.6 Ų71.637%0.37338%0.381SS..EExtended strand (participates in β ladder)trans-118.1132179.7-56.8-80000110.1W59 F60 Q62 V109W59-Y111 CarbonylContact C-O 3.54Å; W59-Y111 WeakPolarHBondContact CA-O 3.33Å; F60-Y111 PolarHBondContact N-O 3.35Å; F60-Y111 PolarHBondContact O-N 3.03Å; Q62-Y111 HydrophobicContact CB-CE2 3.85Å; Q62-Y111 PolarHBondContact OE1-OH 3.24Å; V109-Y111 HydrophobicContact CB-CE2 3.91Å; V109-Y111 HydrophobicContact CG1-CD1 4.39Å; V109-Y111 HydrophobicContact CG1-CD2 4.42Å; V109-Y111 HydrophobicContact CG1-CE1 3.7Å; V109-Y111 HydrophobicContact CG1-CE2 3.73Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.4Å
112C97.4Very high92.9Very high10 Ų1068 Ų687%0.06837%0.373CS..EExtended strand (participates in β ladder)trans-94139.4161.962.70000110.5Q25 C42 L57 Y58 W59Q25-C112 PolarHBondContact OE1-SG 3.34Å; Q25-C112 VanDerWaalsContact OE1-SG 3.34Å; C42-C112 HydrophobicContact CB-CB 3.51Å; C42-C112 WeakPolarHBondContact CB-SG 3.17Å; C42-C112 WeakPolarHBondContact SG-CB 3.44Å; C42-C112 CovalentContact SG-SG 2.01Å; C42-C112 PolarHBondContact SG-SG 3.18Å; L57-C112 HydrophobicContact CD1-CB 4.29Å; Y58-C112 CarbonylContact O-C 3.59Å; Y58-C112 WeakPolarHBondContact O-CA 3.38Å; W59-C112 HydrophobicContact CD2-CB 4.21Å; W59-C112 HydrophobicContact CE3-CB 3.94Å; W59-C112 HydrophobicContact CH2-CB 3.93Å; W59-C112 HydrophobicContact CZ2-CB 4.16Å; W59-C112 HydrophobicContact CZ3-CB 3.81Å
113M96.7Very high92.6Very high89 Ų8971.1 Ų71.144%0.43839%0.39SS..EExtended strand (participates in β ladder)trans-136.1142.3180179.1-177.8170.700109.9Y58 F60Y58-M113 PolarHBondContact N-O 2.92Å; Y58-M113 PolarHBondContact O-N 3.1Å; F60-M113 HydrophobicContact CD2-CB 4.32Å; F60-M113 HydrophobicContact CE2-CB 4Å; F60-M113 HydrophobicContact CE2-SD 4.05Å
114Q96.4Very high92.3Very high23 Ų2370.6 Ų70.611%0.10739%0.391CS..EExtended strand (participates in β ladder)trans-93.2145.21696783.423.100110.7I21 M23 L48 Y56 E117I21-Q114 HydrophobicContact CB-CG 3.92Å; I21-Q114 HydrophobicContact CD1-CG 4.44Å; I21-Q114 HydrophobicContact CG2-CB 4.26Å; I21-Q114 HydrophobicContact CG2-CG 3.71Å; M23-Q114 HydrophobicContact CG-CG 4.3Å; M23-Q114 HydrophobicContact SD-CB 3.74Å; M23-Q114 HydrophobicContact SD-CG 3.89Å; L48-Q114 HydrophobicContact CD1-CB 3.88Å; L48-Q114 HydrophobicContact CD2-CB 3.61Å; L48-Q114 HydrophobicContact CD2-CG 4.47Å; L48-Q114 HydrophobicContact CG-CB 4.41Å; Y56-Q114 WeakPolarHBondContact O-CA 3.49Å; Q114-E117 PolarHBondContact NE2-O 3.36Å
115G94.8Very high92Very high8 Ų869.6 Ų69.68%0.08237%0.37CS..  trans-118.522.7177.500000114.7Y56Y56-G115 PolarHBondContact O-N 3.5Å
116L92.1Very high91.8Very high48 Ų4867.4 Ų67.425%0.25136%0.363SS..SBendtrans-87.2-48.2177.7-72.1-171.3000113I21 L48 H50 Y56I21-L116 HydrophobicContact CD1-CB 4Å; I21-L116 HydrophobicContact CD1-CD1 4.25Å; L48-L116 HydrophobicContact CB-CD1 4.42Å; L48-L116 HydrophobicContact CD2-CD1 4.31Å; H50-L116 HydrophobicContact CB-CD2 3.84Å; Y56-L116 HydrophobicContact CD2-CD2 3.48Å; Y56-L116 VanDerWaalsContact CD2-CD2 3.48Å; Y56-L116 HydrophobicContact CE2-CD2 4.26Å; Y56-L116 HydrophobicContact CG-CD2 3.79Å
117E85.8Confident91.4Very high69 Ų6971.9 Ų71.932%0.32239%0.387SS..  trans-112.4126.5-175.5-67.9176.4-172.200108.9G19 I21 K46 Q114G19-E117 VanDerWaalsContact O-OE2 3.13Å; I21-E117 HydrophobicContact CD1-CB 4.18Å; I21-E117 HydrophobicContact CD1-CG 3.74Å; I21-E117 HydrophobicContact CG1-CG 4.31Å; I21-E117 WeakPolarHBondContact CG1-OE2 3.37Å; I21-E117 PolarHBondContact N-OE2 2.86Å; I21-E117 VanDerWaalsContact N-OE2 3.09Å; K46-E117 IonicContact NZ-OE1 3.34Å; K46-E117 PolarHBondContact NZ-OE1 3.36Å; K46-E117 IonicContact NZ-OE2 3.53Å; Q114-E117 PolarHBondContact NE2-O 3.36Å
118Y77.2Confident91Very high172 Ų17269.5 Ų69.568%0.67537%0.369SS*.  trans-106.2145.7171.3-61.8-87.4000108.4
119P63.4Low90.5Very high197 Ų19773.2 Ų73.2100%1.27938%0.375SS*.  trans-580173.3-18.730.7000113.1

Retrieved 119 of 119 residues in 145 ms (Link to these results)