A0A060XC73_ONCMY Loading...

Protein yippee-like

AlphaFold DB (G3PI85), UniProt , Accession A0A060XC73, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ypel3, 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
1M40Very low50.3Low239 Ų239147.9 Ų147.9100%1.17776%0.762SS**  0104.40-68.6173177.200107.6K3M1-K3 PolarHBondContact O-N 3.01Å
2V38.1Very low52.6Low134 Ų134139 Ų13981%0.81273%0.726SS**  trans-77.9113.3178.3-179.30000107.1L4V2-L4 PolarHBondContact O-N 3.37Å
3K38Very low54.5Low195 Ų195141.5 Ų141.585%0.84872%0.722SS**  trans-67.2100.9169.2-72.6-176.6178-179.20106.7M1 T5M1-K3 PolarHBondContact O-N 3.01Å; K3-T5 VanDerWaalsContact C-N 3.31Å; K3-T5 PolarHBondContact O-N 2.83Å
4L44.4Very low56.2Low162 Ų162133.4 Ų133.485%0.84868%0.681SS**  trans-65.595.5166.5-88.2117.2000107.5V2 K6V2-L4 PolarHBondContact O-N 3.37Å; L4-K6 PolarHBondContact O-N 2.84Å; L4-K6 VanDerWaalsContact O-N 3.17Å
5T49.3Very low57.4Low100 Ų100132.6 Ų132.661%0.61368%0.679SS**  trans-67.6110.7162.342.80000106.4K3 A7K3-T5 VanDerWaalsContact C-N 3.31Å; K3-T5 PolarHBondContact O-N 2.83Å; T5-A7 PolarHBondContact O-N 2.79Å
6K47.6Very low57.8Low198 Ų198130.2 Ų130.286%0.86168%0.678SS**  trans-57.6108.8176.3-152179.9-171.9-177.50106.5L4 K8L4-K6 PolarHBondContact O-N 2.84Å; L4-K6 VanDerWaalsContact O-N 3.17Å; K6-K8 PolarHBondContact O-N 3.33Å
7A48.3Very low58.1Low91 Ų91128.4 Ų128.475%0.75268%0.678SS**  trans-55.7113.8174.400000107.2T5 T9T5-A7 PolarHBondContact O-N 2.79Å; A7-T9 PolarHBondContact O-N 3.02Å; A7-T9 VanDerWaalsContact O-N 3.17Å
8K55.9Low58.8Low141 Ų141125.7 Ų125.761%0.61366%0.66SS**  trans-63.1119.7171.9-83.2-172.7179.6178.60106.6K6 F10 E80K6-K8 PolarHBondContact O-N 3.33Å; K8-F10 PolarHBondContact O-N 2.95Å; K8-F10 VanDerWaalsContact O-N 3.15Å; K8-E80 WeakPolarHBondContact CD-OE2 3.22Å; K8-E80 WeakPolarHBondContact CE-OE1 3.15Å; K8-E80 IonicContact NZ-OE1 2.77Å; K8-E80 PolarHBondContact NZ-OE1 2.94Å; K8-E80 IonicContact NZ-OE2 2.89Å; K8-E80 PolarHBondContact NZ-OE2 3.4Å
9T58.8Low60.4Low129 Ų129125.1 Ų125.179%0.79165%0.648SS**SBendtrans-70-1.9178.814.30000113.4A7A7-T9 PolarHBondContact O-N 3.02Å; A7-T9 VanDerWaalsContact O-N 3.17Å
10F60.5Low62Low180 Ų180121.6 Ų121.679%0.78963%0.626SS**  trans-138.6122.3-176-66.7-83.4000111.3K8K8-F10 PolarHBondContact O-N 2.95Å; K8-F10 VanDerWaalsContact O-N 3.15Å
11Q72.3Confident63.6Low58 Ų58115.9 Ų115.927%0.27160%0.597SS.*PPolyproline II helixtrans-100.4137.8167.5-172-175.2-39.400108.3Y13 N56Q11-Y13 HydrophobicContact CB-CE2 3.99Å; Q11-Y13 VanDerWaalsContact O-CD2 3.26Å; Q11-Y13 WeakPolarHBondContact O-CD2 3.34Å; Q11-Y13 PolarHBondContact O-N 2.85Å; Q11-N56 VanDerWaalsContact CG-OD1 3.31Å; Q11-N56 WeakPolarHBondContact CG-OD1 3.16Å
12A78.8Confident66.2Low41 Ų41104.9 Ų104.934%0.33954%0.543SS..PPolyproline II helixtrans-72.3123.617000000109.2V55 N56A12-V55 HydrophobicContact CB-CB 4.01Å; A12-V55 HydrophobicContact CB-CG1 4.35Å; A12-V55 HydrophobicContact CB-CG2 4.29Å; A12-N56 PolarHBondContact N-OD1 2.87Å; A12-N56 PolarHBondContact O-ND2 2.91Å
13Y77Confident69Low171 Ų17198.5 Ų98.567%0.67150%0.504SS*.PPolyproline II helixtrans-98.8140.6169.4-69.5-93000108.6Q11Q11-Y13 HydrophobicContact CB-CE2 3.99Å; Q11-Y13 VanDerWaalsContact O-CD2 3.26Å; Q11-Y13 WeakPolarHBondContact O-CD2 3.34Å; Q11-Y13 PolarHBondContact O-N 2.85Å
14L77.8Confident71.8Confident28 Ų2891.5 Ų91.515%0.14748%0.478CS..  trans-106.2140.4178.8-59.3176.2000106.1H29 N32 V55L14-H29 HydrophobicContact CD1-CB 4Å; L14-H29 HydrophobicContact CG-CB 4.1Å; L14-H29 PolarHBondContact N-ND1 2.84Å; L14-N32 WeakPolarHBondContact CB-OD1 3.39Å; L14-N32 WeakPolarHBondContact CD1-OD1 3.48Å; L14-V55 HydrophobicContact CD1-CG2 4.07Å; L14-V55 HydrophobicContact CD2-CG2 4.11Å; L14-V55 HydrophobicContact CG-CG2 4.2Å
15D74.3Confident74.3Confident122 Ų12289 Ų8965%0.65246%0.462SS*.  trans-56.6141.2-175.3-76.8-19000112.1C17D15-C17 VanDerWaalsContact C-N 3.26Å; D15-C17 PolarHBondContact O-N 3.17Å
16S64.6Low76.5Confident94 Ų9485.9 Ų85.966%0.65744%0.444SS*.THydrogen-bonded Turntrans-71.4-15.1-173.950.40000114.3H18S16-H18 VanDerWaalsContact C-N 3.29Å; S16-H18 PolarHBondContact O-N 2.83Å
17C62.4Low78.7Confident100 Ų10084.3 Ų84.368%0.67643%0.432SS*.THydrogen-bonded Turntrans-79.9-7.7-177.459.30000114.2D15D15-C17 VanDerWaalsContact C-N 3.26Å; D15-C17 PolarHBondContact O-N 3.17Å
18H70.6Confident80.9Confident79 Ų7980 Ų8037%0.36640%0.397SS..SBendtrans-110.6145.9179.2-65.9-98.4000111.6S16 R20 D34S16-H18 VanDerWaalsContact C-N 3.29Å; S16-H18 PolarHBondContact O-N 2.83Å; H18-R20 PolarHBondContact O-N 2.98Å; H18-D34 IonicContact CE1-OD2 3.48Å; H18-D34 PolarHBondContact CE1-OD2 2.63Å; H18-D34 IonicContact CG-OD2 3.62Å; H18-D34 IonicContact ND1-OD2 2.92Å; H18-D34 PolarHBondContact ND1-OD2 2.81Å
19R88.8Confident82.8Confident115 Ų11573.9 Ų73.943%0.43437%0.37SS..  trans-57.1130167.6-68-177.7-65.6-172.6-1.3108.2H33 D115R19-H33 HydrophobicContact CB-CB 3.74Å; R19-H33 PolarHBondContact NH2-CD2 2.96Å; R19-H33 VanDerWaalsContact NH2-CD2 3.27Å; R19-H33 PolarHBondContact NH2-NE2 3.4Å; R19-H33 VanDerWaalsContact NH2-NE2 3.14Å; R19-H33 WeakPolarHBondContact O-CB 3.42Å; R19-H33 PolarHBondContact O-N 3.38Å; R19-D115 WeakPolarHBondContact CA-O 3.45Å
20R91.9Very high84.6Confident54 Ų5467.8 Ų67.820%0.20433%0.333CS..EExtended strand (participates in β ladder)trans-129.8160.5-17563.7-179.6164.7-167.3-21111.6H18 H29 D115H18-R20 PolarHBondContact O-N 2.98Å; R20-H29 PolarHBondContact NH1-CE1 3.04Å; R20-H29 PolarHBondContact NH1-NE2 2.8Å; R20-D115 HydrophobicContact CG-CB 3.76Å; R20-D115 IonicContact CZ-OD2 3.83Å; R20-D115 VanDerWaalsContact CZ-OD2 3.24Å; R20-D115 PolarHBondContact N-O 2.97Å; R20-D115 VanDerWaalsContact N-O 3.11Å; R20-D115 IonicContact NE-OD2 3.33Å; R20-D115 PolarHBondContact NE-OD2 3.06Å; R20-D115 IonicContact NH2-OD2 3.24Å; R20-D115 PolarHBondContact NH2-OD2 3.43Å; R20-D115 PolarHBondContact O-N 3.3Å
21Y95.5Very high86.3Confident3 Ų359.3 Ų59.31%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-116.1133174.7-63.2-78.9000109.6L30 A31 H33 Y49 F51 M112 I113 K114Y21-L30 PolarHBondContact O-N 2.88Å; Y21-A31 HydrophobicContact CD2-CB 4.41Å; Y21-A31 PolarHBondContact N-O 3.48Å; Y21-A31 PolarHBondContact O-N 3.47Å; Y21-H33 HydrophobicContact CE2-CB 4.3Å; Y21-H33 AromaticContact CE2-ND1 3.78Å; Y21-H33 AromaticContact CZ-ND1 3.74Å; Y21-H33 PolarHBondContact OH-CE1 2.7Å; Y21-H33 PolarHBondContact OH-ND1 2.98Å; Y21-Y49 HydrophobicContact CE1-CD2 4.32Å; Y21-Y49 HydrophobicContact CE1-CE2 4.2Å; Y21-F51 AromaticContact CD2-CE1 3.52Å; Y21-F51 HydrophobicContact CD2-CE1 3.52Å; Y21-F51 AromaticContact CD2-CZ 3.65Å; Y21-F51 HydrophobicContact CD2-CZ 3.65Å; Y21-F51 AromaticContact CE2-CE1 3.55Å; Y21-F51 HydrophobicContact CE2-CE1 3.55Å; Y21-F51 AromaticContact CE2-CZ 3.77Å; Y21-F51 HydrophobicContact CE2-CZ 3.77Å; Y21-F51 HydrophobicContact CG-CE1 4.33Å; Y21-F51 HydrophobicContact CG-CZ 4.02Å; Y21-M112 WeakPolarHBondContact CB-SD 3.41Å; Y21-M112 HydrophobicContact CD1-CE 3.52Å; Y21-M112 HydrophobicContact CD1-CG 3.94Å; Y21-M112 HydrophobicContact CD1-SD 3.58Å; Y21-M112 VanDerWaalsContact CD1-SD 3.58Å; Y21-M112 HydrophobicContact CE1-CE 3.9Å; Y21-M112 HydrophobicContact CE1-SD 4.49Å; Y21-M112 HydrophobicContact CG-CE 4.14Å; Y21-M112 HydrophobicContact CG-CG 4.23Å; Y21-M112 HydrophobicContact CG-SD 3.65Å; Y21-I113 CarbonylContact C-O 3.38Å; Y21-I113 VanDerWaalsContact CA-O 3.3Å; Y21-I113 WeakPolarHBondContact CA-O 3.46Å; Y21-K114 HydrophobicContact CD1-CB 3.99Å; Y21-K114 HydrophobicContact CD1-CG 4.12Å; Y21-K114 HydrophobicContact CE1-CB 3.83Å; Y21-K114 HydrophobicContact CE1-CD 4.02Å; Y21-K114 HydrophobicContact CE1-CG 3.68Å
22S96.1Very high87.3Confident7 Ų758.1 Ų58.15%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-131.2156.9-177.9-58.30000111.1V24 A28 M112 I113S22-V24 PolarHBondContact O-N 3.45Å; S22-A28 CarbonylContact C-O 3.52Å; S22-A28 VanDerWaalsContact CA-O 3.26Å; S22-A28 WeakPolarHBondContact CA-O 3.42Å; S22-A28 WeakPolarHBondContact CB-O 3.46Å; S22-M112 CarbonylContact O-C 3.45Å; S22-M112 WeakPolarHBondContact O-CA 3.17Å; S22-I113 PolarHBondContact N-O 3.14Å; S22-I113 VanDerWaalsContact O-CG1 3.26Å; S22-I113 WeakPolarHBondContact O-CG1 3.27Å; S22-I113 PolarHBondContact O-N 3.27Å
23C97.1Very high88Confident0 Ų057.6 Ų57.60%028%0.282CS..EExtended strand (participates in β ladder)trans-62.4130.4174.8-179.60000110H25 R27 A28 L30 C82C23-H25 PolarHBondContact O-N 2.83Å; C23-H25 PolarHBondContact SG-N 3.45Å; C23-R27 WeakPolarHBondContact O-CA 3.46Å; C23-R27 PolarHBondContact O-N 3.39Å; C23-A28 PolarHBondContact N-O 2.9Å; C23-L30 HydrophobicContact CB-CD1 4Å; C23-L30 HydrophobicContact CB-CD2 4.37Å; C23-L30 HydrophobicContact CB-CG 4.25Å; C23-C82 VanDerWaalsContact SG-SG 3.7Å
24V96.8Very high88.8Confident48 Ų4854.9 Ų54.929%0.29128%0.279SS..THydrogen-bonded Turntrans-63.4-31.1179.269.10000112.6S22 H111 I113S22-V24 PolarHBondContact O-N 3.45Å; V24-H111 PolarHBondContact N-O 3.27Å; V24-I113 HydrophobicContact CB-CG2 4.02Å; V24-I113 HydrophobicContact CG2-CG2 3.79Å
25H95.7Very high89.6Confident110 Ų11055.4 Ų55.451%0.50928%0.282SS..THydrogen-bonded Turntrans-84.2-37.3-171.4-59.8-72.6000113.7C23 H111C23-H25 PolarHBondContact O-N 2.83Å; C23-H25 PolarHBondContact SG-N 3.45Å; H25-H111 AromaticContact NE2-ND1 3.37Å; H25-H111 PolarHBondContact NE2-ND1 2.79Å
26C95.2Very high90.7Very high35 Ų3551.2 Ų51.224%0.23626%0.259CS..THydrogen-bonded Turntrans-130.51.5-174.369.70000114.6A28 N81 C82C26-A28 PolarHBondContact O-N 2.87Å; C26-A28 VanDerWaalsContact O-N 3.09Å; C26-N81 WeakPolarHBondContact CB-ND2 3.11Å; C26-N81 PolarHBondContact SG-ND2 2.78Å; C26-N81 VanDerWaalsContact SG-ND2 3.41Å; C26-C82 HydrophobicContact CB-CB 3.83Å; C26-C82 VanDerWaalsContact SG-SG 3.63Å
27R94.5Very high92.3Very high165 Ų16550.6 Ų50.662%0.62325%0.248SC*.  trans6310.3179.3-49.7-60.1179128.4-4.2115.3C23 H29 I113C23-R27 WeakPolarHBondContact O-CA 3.46Å; C23-R27 PolarHBondContact O-N 3.39Å; R27-H29 PolarHBondContact O-N 3.46Å; R27-I113 VanDerWaalsContact CD-CD1 3.42Å
28A94.7Very high94Very high0 Ų047.3 Ų47.30%023%0.226CC..  trans-58.3133.7170.300000110.2S22 C23 C26 N81S22-A28 CarbonylContact C-O 3.52Å; S22-A28 VanDerWaalsContact CA-O 3.26Å; S22-A28 WeakPolarHBondContact CA-O 3.42Å; S22-A28 WeakPolarHBondContact CB-O 3.46Å; C23-A28 PolarHBondContact N-O 2.9Å; C26-A28 PolarHBondContact O-N 2.87Å; C26-A28 VanDerWaalsContact O-N 3.09Å; A28-N81 HydrophobicContact CB-CB 4.19Å
29H94.9Very high95.2Very high13 Ų1348.5 Ų48.56%0.0623%0.23CC..EExtended strand (participates in β ladder)trans-64.6139.9177.2-63.6-177.2000109.9L14 R20 R27 N56L14-H29 HydrophobicContact CD1-CB 4Å; L14-H29 HydrophobicContact CG-CB 4.1Å; L14-H29 PolarHBondContact N-ND1 2.84Å; R20-H29 PolarHBondContact NH1-CE1 3.04Å; R20-H29 PolarHBondContact NH1-NE2 2.8Å; R27-H29 PolarHBondContact O-N 3.46Å; H29-N56 WeakPolarHBondContact O-CB 3.48Å; H29-N56 PolarHBondContact O-ND2 3.32Å
30L96.6Very high95.6Very high0 Ų048.4 Ų48.40%025%0.247CC..EExtended strand (participates in β ladder)trans-118-42.7-177.9-63.3178.6000112.3Y21 C23 V54 V55 V57 L86 I107Y21-L30 PolarHBondContact O-N 2.88Å; C23-L30 HydrophobicContact CB-CD1 4Å; C23-L30 HydrophobicContact CB-CD2 4.37Å; C23-L30 HydrophobicContact CB-CG 4.25Å; L30-V54 CarbonylContact O-C 3.6Å; L30-V54 WeakPolarHBondContact O-CA 3.2Å; L30-V54 WeakPolarHBondContact O-CB 3.39Å; L30-V55 PolarHBondContact O-N 3.23Å; L30-V57 HydrophobicContact CD2-CG1 3.92Å; L30-L86 HydrophobicContact CD1-CD1 3.81Å; L30-L86 HydrophobicContact CD1-CD2 4.23Å; L30-L86 HydrophobicContact CD2-CD1 3.51Å; L30-L86 HydrophobicContact CG-CD1 4.31Å; L30-I107 HydrophobicContact CB-CD1 4.06Å; L30-I107 HydrophobicContact CD1-CD1 4.37Å
31A96.3Very high95.8Very high2 Ų247.2 Ų47.22%0.01724%0.243CC..EExtended strand (participates in β ladder)trans-158.2154.3-177.500000112Y21 F51 V54Y21-A31 HydrophobicContact CD2-CB 4.41Å; Y21-A31 PolarHBondContact N-O 3.48Å; Y21-A31 PolarHBondContact O-N 3.47Å; A31-F51 HydrophobicContact CB-CD1 3.65Å; A31-F51 HydrophobicContact CB-CE1 3.74Å; A31-F51 HydrophobicContact CB-CG 4.13Å; A31-F51 HydrophobicContact CB-CZ 4.29Å; A31-V54 HydrophobicContact CB-CG1 4.28Å
32N93.7Very high95.8Very high33 Ų3354.5 Ų54.518%0.17628%0.277CS..EExtended strand (participates in β ladder)trans-84.2156.5166.6-82.5-32.6000111.1L14 D34 D35L14-N32 WeakPolarHBondContact CB-OD1 3.39Å; L14-N32 WeakPolarHBondContact CD1-OD1 3.48Å; N32-D34 PolarHBondContact O-N 2.88Å; N32-D35 PolarHBondContact O-N 2.82Å
33H93.9Very high95.5Very high30 Ų3055 Ų5514%0.13928%0.284CS..G310 helixtrans-65.4-29.7172.3-165.584.9000113R19 Y21 D35 L36R19-H33 HydrophobicContact CB-CB 3.74Å; R19-H33 PolarHBondContact NH2-CD2 2.96Å; R19-H33 VanDerWaalsContact NH2-CD2 3.27Å; R19-H33 PolarHBondContact NH2-NE2 3.4Å; R19-H33 VanDerWaalsContact NH2-NE2 3.14Å; R19-H33 WeakPolarHBondContact O-CB 3.42Å; R19-H33 PolarHBondContact O-N 3.38Å; Y21-H33 HydrophobicContact CE2-CB 4.3Å; Y21-H33 AromaticContact CE2-ND1 3.78Å; Y21-H33 AromaticContact CZ-ND1 3.74Å; Y21-H33 PolarHBondContact OH-CE1 2.7Å; Y21-H33 PolarHBondContact OH-ND1 2.98Å; H33-D35 PolarHBondContact O-N 2.95Å; H33-L36 WeakPolarHBondContact O-CB 3.45Å; H33-L36 PolarHBondContact O-N 2.76Å
34D93.4Very high95.2Very high114 Ų11460.5 Ų60.561%0.6132%0.323SS*.G310 helixtrans-69.9-20.6179.9-58.3-27.4000112.2H18 N32 L36H18-D34 IonicContact CE1-OD2 3.48Å; H18-D34 PolarHBondContact CE1-OD2 2.63Å; H18-D34 IonicContact CG-OD2 3.62Å; H18-D34 IonicContact ND1-OD2 2.92Å; H18-D34 PolarHBondContact ND1-OD2 2.81Å; N32-D34 PolarHBondContact O-N 2.88Å; D34-L36 VanDerWaalsContact C-N 3.33Å
35D95.8Very high94.9Very high40 Ų4063.6 Ų63.621%0.21433%0.334CS..G310 helixtrans-84-4.8171.7-74.8-59.8000113.2N32 H33 I37 F51 N52N32-D35 PolarHBondContact O-N 2.82Å; H33-D35 PolarHBondContact O-N 2.95Å; D35-I37 PolarHBondContact O-N 3.48Å; D35-F51 HydrophobicContact CB-CD1 4.45Å; D35-F51 CarbonylContact O-C 3.5Å; D35-F51 VanDerWaalsContact O-CA 3.27Å; D35-F51 WeakPolarHBondContact O-CA 3.48Å; D35-N52 HydrophobicContact CB-CB 4.32Å; D35-N52 PolarHBondContact O-N 3.29Å
36L96.8Very high94.8Very high33 Ų3360 Ų6017%0.17333%0.327CS..EExtended strand (participates in β ladder)trans-72.9117.7-179.7179.869.2000110.9H33 D34 K39 Y49 F51H33-L36 WeakPolarHBondContact O-CB 3.45Å; H33-L36 PolarHBondContact O-N 2.76Å; D34-L36 VanDerWaalsContact C-N 3.33Å; L36-K39 HydrophobicContact CD1-CG 4.43Å; L36-K39 HydrophobicContact CD2-CD 4.24Å; L36-K39 HydrophobicContact CD2-CG 3.86Å; L36-Y49 HydrophobicContact CD1-CD2 3.83Å; L36-Y49 HydrophobicContact CD1-CG 3.9Å; L36-F51 HydrophobicContact CB-CD1 4.15Å; L36-F51 HydrophobicContact CB-CE1 3.92Å; L36-F51 HydrophobicContact CD1-CD1 4.13Å; L36-F51 HydrophobicContact CD1-CE1 3.69Å; L36-F51 HydrophobicContact CD1-CE2 4.34Å; L36-F51 HydrophobicContact CD1-CZ 3.82Å; L36-F51 HydrophobicContact CG-CE1 4.39Å
37I97.8Very high94.9Very high82 Ų8266.5 Ų66.542%0.42135%0.346SS..EExtended strand (participates in β ladder)trans-90.3-48178.1-61.1173000111D35 L50 N52 K104D35-I37 PolarHBondContact O-N 3.48Å; I37-L50 HydrophobicContact CB-CB 4.47Å; I37-L50 HydrophobicContact CB-CD2 4.06Å; I37-L50 HydrophobicContact CB-CG 4.23Å; I37-L50 WeakPolarHBondContact CB-O 3.41Å; I37-L50 HydrophobicContact CD1-CD2 4.31Å; I37-L50 HydrophobicContact CD1-CG 4.38Å; I37-L50 HydrophobicContact CG2-CD2 3.87Å; I37-L50 PolarHBondContact N-O 2.76Å; I37-N52 HydrophobicContact CD1-CB 3.88Å; I37-N52 HydrophobicContact CG1-CB 4.12Å; I37-K104 HydrophobicContact CD1-CD 3.64Å; I37-K104 HydrophobicContact CD1-CG 4.08Å
38S97.5Very high95.1Very high31 Ų3158.7 Ų58.722%0.21732%0.317CS..EExtended strand (participates in β ladder)trans-154.9146.4-174.8179.60000112.9S40 Y49 L50S38-S40 PolarHBondContact OG-N 3.22Å; S38-Y49 WeakPolarHBondContact O-CA 3.32Å; S38-L50 PolarHBondContact N-O 2.87Å; S38-L50 PolarHBondContact O-N 3.12Å
39K97.1Very high95.2Very high104 Ų10460.2 Ų60.245%0.45232%0.323SS..EExtended strand (participates in β ladder)trans-1030.4177.3-61.8-176.3-175.4168.90113.8L36 F41 Y49L36-K39 HydrophobicContact CD1-CG 4.43Å; L36-K39 HydrophobicContact CD2-CD 4.24Å; L36-K39 HydrophobicContact CD2-CG 3.86Å; K39-F41 VanDerWaalsContact C-N 3.29Å; K39-F41 PolarHBondContact O-N 2.84Å; K39-Y49 VanDerWaalsContact CA-CD1 3.45Å; K39-Y49 HydrophobicContact CB-CD1 3.74Å; K39-Y49 HydrophobicContact CB-CE1 3.44Å; K39-Y49 VanDerWaalsContact CB-CE1 3.44Å; K39-Y49 HydrophobicContact CD-CE1 4.09Å; K39-Y49 HydrophobicContact CD-CE2 4.3Å; K39-Y49 HydrophobicContact CG-CD1 3.86Å; K39-Y49 HydrophobicContact CG-CD2 4.37Å; K39-Y49 HydrophobicContact CG-CE1 3.58Å; K39-Y49 HydrophobicContact CG-CE2 4.13Å; K39-Y49 HydrophobicContact CG-CG 4.26Å
40S96.1Very high95.4Very high112 Ų11259.6 Ų59.678%0.78332%0.32SS*.EExtended strand (participates in β ladder)trans-93.922.5-170.2-53.30000113.2S38S38-S40 PolarHBondContact OG-N 3.22Å
41F96.8Very high95.5Very high29 Ų2959.6 Ų59.613%0.12732%0.32CS..EExtended strand (participates in β ladder)trans-99.2158.5-179.5-76.9-102.3000111.3K39 A48 L50 K101 I106K39-F41 VanDerWaalsContact C-N 3.29Å; K39-F41 PolarHBondContact O-N 2.84Å; F41-A48 CarbonylContact C-O 3.54Å; F41-A48 WeakPolarHBondContact CA-O 3.06Å; F41-A48 HydrophobicContact CB-CB 4.47Å; F41-A48 VanDerWaalsContact CB-O 3.27Å; F41-A48 WeakPolarHBondContact CB-O 3.46Å; F41-A48 PolarHBondContact N-O 2.85Å; F41-A48 PolarHBondContact O-N 2.83Å; F41-L50 HydrophobicContact CD2-CB 3.76Å; F41-L50 HydrophobicContact CE2-CB 3.7Å; F41-L50 HydrophobicContact CE2-CD2 3.76Å; F41-L50 HydrophobicContact CE2-CG 4.26Å; F41-L50 HydrophobicContact CG-CB 4.36Å; F41-L50 HydrophobicContact CZ-CB 4.23Å; F41-L50 HydrophobicContact CZ-CD1 4.45Å; F41-L50 HydrophobicContact CZ-CD2 3.74Å; F41-L50 HydrophobicContact CZ-CG 4.37Å; F41-K101 HydrophobicContact CE1-CD 4.42Å; F41-I106 HydrophobicContact CB-CD1 3.88Å; F41-I106 HydrophobicContact CD1-CD1 3.49Å; F41-I106 VanDerWaalsContact CD1-CD1 3.49Å; F41-I106 HydrophobicContact CD2-CD1 4.46Å; F41-I106 HydrophobicContact CE1-CD1 4.11Å; F41-I106 HydrophobicContact CG-CD1 3.69Å
42Q94.8Very high95.6Very high156 Ų15663 Ų6373%0.72934%0.338SS*.EExtended strand (participates in β ladder)trans-133.7143.5176-63.5-178.48.800108.9G46Q42-G46 CarbonylContact C-O 3.46Å; Q42-G46 VanDerWaalsContact CA-O 3.26Å; Q42-G46 WeakPolarHBondContact CA-O 3.29Å
43G91.3Very high95.7Very high19 Ų1964 Ų6420%0.19635%0.347CS..EExtended strand (participates in β ladder)trans-119.6-171.7167.400000111.2Q45 G46 E108G43-Q45 PolarHBondContact O-N 3.24Å; G43-G46 PolarHBondContact N-O 3.26Å; G43-G46 PolarHBondContact O-N 2.9Å; G43-E108 WeakPolarHBondContact CA-OE1 3.26Å
44S89.5Confident95.9Very high115 Ų11563.3 Ų63.380%0.80435%0.345SS*.THydrogen-bonded Turntrans-59.8-29-179.664.10000113.8E108S44-E108 PolarHBondContact N-OE1 2.8Å; S44-E108 PolarHBondContact OG-OE1 2.78Å
45Q90.4Very high96Very high113 Ų11359.6 Ų59.653%0.52833%0.327SS..THydrogen-bonded Turntrans-102.913.9-178.6-56.1-169.51.600113.4G43 E108 S110 H111G43-Q45 PolarHBondContact O-N 3.24Å; Q45-E108 WeakPolarHBondContact CB-OE2 3.46Å; Q45-E108 WeakPolarHBondContact CG-OE2 3.21Å; Q45-E108 PolarHBondContact N-OE1 3.37Å; Q45-S110 PolarHBondContact OE1-OG 2.92Å; Q45-H111 PolarHBondContact NE2-NE2 3.27Å; Q45-H111 PolarHBondContact OE1-NE2 3.01Å
46G94.1Very high96.1Very high35 Ų3558.6 Ų58.636%0.36132%0.321SS..EExtended strand (participates in β ladder)trans113.8-135.6175.800000113Q42 G43Q42-G46 CarbonylContact C-O 3.46Å; Q42-G46 VanDerWaalsContact CA-O 3.26Å; Q42-G46 WeakPolarHBondContact CA-O 3.29Å; G43-G46 PolarHBondContact N-O 3.26Å; G43-G46 PolarHBondContact O-N 2.9Å
47R97.2Very high96.1Very high171 Ų17158 Ų5865%0.64532%0.319SS*.EExtended strand (participates in β ladder)trans-68.3141.2-174.4-69.9-170-63.9-179.3-1.7111.7L109R47-L109 HydrophobicContact CB-CD2 4.06Å; R47-L109 PolarHBondContact O-N 3.46Å
48A97.9Very high96.1Very high0 Ų054.4 Ų54.40%030%0.302CS..EExtended strand (participates in β ladder)trans-139.9155.2177.200000110.8F41 I106 I107 E108F41-A48 CarbonylContact C-O 3.54Å; F41-A48 WeakPolarHBondContact CA-O 3.06Å; F41-A48 HydrophobicContact CB-CB 4.47Å; F41-A48 VanDerWaalsContact CB-O 3.27Å; F41-A48 WeakPolarHBondContact CB-O 3.46Å; F41-A48 PolarHBondContact N-O 2.85Å; F41-A48 PolarHBondContact O-N 2.83Å; A48-I106 HydrophobicContact CB-CG2 3.51Å; A48-I107 WeakPolarHBondContact CA-O 3.27Å; A48-E108 HydrophobicContact CB-CG 4.11Å
49Y98.3Very high96Very high33 Ų3355.7 Ų55.713%0.12931%0.31CS..EExtended strand (participates in β ladder)trans-114.9143.7-179.9-72.3-4.3000111Y21 L36 S38 K39 F51 I106 I107 L109 M112Y21-Y49 HydrophobicContact CE1-CD2 4.32Å; Y21-Y49 HydrophobicContact CE1-CE2 4.2Å; L36-Y49 HydrophobicContact CD1-CD2 3.83Å; L36-Y49 HydrophobicContact CD1-CG 3.9Å; S38-Y49 WeakPolarHBondContact O-CA 3.32Å; K39-Y49 VanDerWaalsContact CA-CD1 3.45Å; K39-Y49 HydrophobicContact CB-CD1 3.74Å; K39-Y49 HydrophobicContact CB-CE1 3.44Å; K39-Y49 VanDerWaalsContact CB-CE1 3.44Å; K39-Y49 HydrophobicContact CD-CE1 4.09Å; K39-Y49 HydrophobicContact CD-CE2 4.3Å; K39-Y49 HydrophobicContact CG-CD1 3.86Å; K39-Y49 HydrophobicContact CG-CD2 4.37Å; K39-Y49 HydrophobicContact CG-CE1 3.58Å; K39-Y49 HydrophobicContact CG-CE2 4.13Å; K39-Y49 HydrophobicContact CG-CG 4.26Å; Y49-F51 VanDerWaalsContact CB-CE2 3.49Å; Y49-F51 HydrophobicContact CD2-CZ 4.19Å; Y49-I106 WeakPolarHBondContact O-CA 3.46Å; Y49-I107 PolarHBondContact N-O 3.43Å; Y49-I107 PolarHBondContact O-N 3.34Å; Y49-I107 VanDerWaalsContact O-N 3.08Å; Y49-L109 HydrophobicContact CD1-CD1 3.58Å; Y49-L109 HydrophobicContact CD2-CD1 4Å; Y49-L109 HydrophobicContact CE1-CD1 3.66Å; Y49-L109 HydrophobicContact CE1-CD2 4.02Å; Y49-L109 HydrophobicContact CE1-CG 4.42Å; Y49-L109 HydrophobicContact CE2-CD1 4.06Å; Y49-L109 HydrophobicContact CG-CD1 3.76Å; Y49-M112 HydrophobicContact CD2-CE 3.7Å; Y49-M112 HydrophobicContact CE2-CE 4.25Å; Y49-M112 HydrophobicContact CG-CE 4.37Å
50L98.5Very high96Very high0 Ų052 Ų520%030%0.301CS..EExtended strand (participates in β ladder)trans-94.6125.8174.8-174.874.7000110I37 S38 F41 Y90 Y100 K104 F105 I106I37-L50 HydrophobicContact CB-CB 4.47Å; I37-L50 HydrophobicContact CB-CD2 4.06Å; I37-L50 HydrophobicContact CB-CG 4.23Å; I37-L50 WeakPolarHBondContact CB-O 3.41Å; I37-L50 HydrophobicContact CD1-CD2 4.31Å; I37-L50 HydrophobicContact CD1-CG 4.38Å; I37-L50 HydrophobicContact CG2-CD2 3.87Å; I37-L50 PolarHBondContact N-O 2.76Å; S38-L50 PolarHBondContact N-O 2.87Å; S38-L50 PolarHBondContact O-N 3.12Å; F41-L50 HydrophobicContact CD2-CB 3.76Å; F41-L50 HydrophobicContact CE2-CB 3.7Å; F41-L50 HydrophobicContact CE2-CD2 3.76Å; F41-L50 HydrophobicContact CE2-CG 4.26Å; F41-L50 HydrophobicContact CG-CB 4.36Å; F41-L50 HydrophobicContact CZ-CB 4.23Å; F41-L50 HydrophobicContact CZ-CD1 4.45Å; F41-L50 HydrophobicContact CZ-CD2 3.74Å; F41-L50 HydrophobicContact CZ-CG 4.37Å; L50-Y90 HydrophobicContact CD1-CD2 4.35Å; L50-Y90 HydrophobicContact CD1-CE2 4.12Å; L50-Y100 HydrophobicContact CD2-CE2 4.23Å; L50-K104 HydrophobicContact CD1-CB 3.63Å; L50-K104 HydrophobicContact CG-CB 4.2Å; L50-F105 CarbonylContact C-O 3.5Å; L50-F105 WeakPolarHBondContact CA-O 3.44Å; L50-I106 HydrophobicContact CB-CD1 3.97Å; L50-I106 HydrophobicContact CD1-CD1 3.6Å; L50-I106 HydrophobicContact CD1-CG1 4.16Å; L50-I106 HydrophobicContact CG-CD1 4.43Å
51F98.4Very high96.1Very high0 Ų051.3 Ų51.30%029%0.294CS..EExtended strand (participates in β ladder)trans-118.9148.3179.4-66.2-87.4000111.9Y21 A31 D35 L36 Y49 V54 K104 F105 I107 M112Y21-F51 AromaticContact CD2-CE1 3.52Å; Y21-F51 HydrophobicContact CD2-CE1 3.52Å; Y21-F51 AromaticContact CD2-CZ 3.65Å; Y21-F51 HydrophobicContact CD2-CZ 3.65Å; Y21-F51 AromaticContact CE2-CE1 3.55Å; Y21-F51 HydrophobicContact CE2-CE1 3.55Å; Y21-F51 AromaticContact CE2-CZ 3.77Å; Y21-F51 HydrophobicContact CE2-CZ 3.77Å; Y21-F51 HydrophobicContact CG-CE1 4.33Å; Y21-F51 HydrophobicContact CG-CZ 4.02Å; A31-F51 HydrophobicContact CB-CD1 3.65Å; A31-F51 HydrophobicContact CB-CE1 3.74Å; A31-F51 HydrophobicContact CB-CG 4.13Å; A31-F51 HydrophobicContact CB-CZ 4.29Å; D35-F51 HydrophobicContact CB-CD1 4.45Å; D35-F51 CarbonylContact O-C 3.5Å; D35-F51 VanDerWaalsContact O-CA 3.27Å; D35-F51 WeakPolarHBondContact O-CA 3.48Å; L36-F51 HydrophobicContact CB-CD1 4.15Å; L36-F51 HydrophobicContact CB-CE1 3.92Å; L36-F51 HydrophobicContact CD1-CD1 4.13Å; L36-F51 HydrophobicContact CD1-CE1 3.69Å; L36-F51 HydrophobicContact CD1-CE2 4.34Å; L36-F51 HydrophobicContact CD1-CZ 3.82Å; L36-F51 HydrophobicContact CG-CE1 4.39Å; Y49-F51 VanDerWaalsContact CB-CE2 3.49Å; Y49-F51 HydrophobicContact CD2-CZ 4.19Å; F51-V54 HydrophobicContact CB-CG1 3.94Å; F51-V54 HydrophobicContact CG-CG1 4.42Å; F51-K104 WeakPolarHBondContact O-CB 3.3Å; F51-F105 HydrophobicContact CB-CB 4.49Å; F51-F105 PolarHBondContact N-O 2.99Å; F51-F105 PolarHBondContact O-N 3.08Å; F51-I107 HydrophobicContact CD2-CB 4.47Å; F51-I107 HydrophobicContact CD2-CD1 4.28Å; F51-I107 HydrophobicContact CD2-CG1 4.4Å; F51-I107 HydrophobicContact CE2-CB 4.2Å; F51-I107 HydrophobicContact CE2-CD1 4.34Å; F51-M112 HydrophobicContact CE2-CE 4.18Å; F51-M112 HydrophobicContact CE2-SD 4.02Å; F51-M112 HydrophobicContact CZ-CE 4.06Å; F51-M112 HydrophobicContact CZ-SD 3.95Å
52N97.9Very high96.1Very high73 Ų7352.9 Ų52.939%0.3931%0.313SS..SBendtrans-72.8-45.1173.5-173.859.4000112.1D35 I37 K104D35-N52 HydrophobicContact CB-CB 4.32Å; D35-N52 PolarHBondContact O-N 3.29Å; I37-N52 HydrophobicContact CD1-CB 3.88Å; I37-N52 HydrophobicContact CG1-CB 4.12Å; N52-K104 PolarHBondContact OD1-NZ 2.89Å
53S96.4Very high96.3Very high53 Ų5350 Ų5037%0.37130%0.299SS..  trans-138.7150.4179.8-169.80000110.3
54V97.1Very high96.6Very high16 Ų1655.5 Ų55.510%0.09732%0.32CS..  trans-141.7150.4175.7-60.10000109.3L30 A31 F51 V57 F105 I107L30-V54 CarbonylContact O-C 3.6Å; L30-V54 WeakPolarHBondContact O-CA 3.2Å; L30-V54 WeakPolarHBondContact O-CB 3.39Å; A31-V54 HydrophobicContact CB-CG1 4.28Å; F51-V54 HydrophobicContact CB-CG1 3.94Å; F51-V54 HydrophobicContact CG-CG1 4.42Å; V54-V57 HydrophobicContact CB-CG2 4.39Å; V54-V57 HydrophobicContact CG2-CG1 4.41Å; V54-V57 HydrophobicContact CG2-CG2 3.45Å; V54-V57 VanDerWaalsContact CG2-CG2 3.45Å; V54-F105 HydrophobicContact CB-CD1 4.47Å; V54-F105 HydrophobicContact CB-CG 4.27Å; V54-F105 HydrophobicContact CG1-CB 3.61Å; V54-F105 HydrophobicContact CG1-CD1 4.43Å; V54-F105 HydrophobicContact CG1-CD2 4.19Å; V54-F105 HydrophobicContact CG1-CG 3.85Å; V54-F105 HydrophobicContact CG2-CB 4Å; V54-F105 HydrophobicContact CG2-CD1 3.22Å; V54-F105 HydrophobicContact CG2-CD2 3.75Å; V54-F105 HydrophobicContact CG2-CE1 3.41Å; V54-F105 VanDerWaalsContact CG2-CE1 3.41Å; V54-F105 HydrophobicContact CG2-CE2 3.96Å; V54-F105 HydrophobicContact CG2-CG 3.38Å; V54-F105 HydrophobicContact CG2-CZ 3.78Å; V54-I107 HydrophobicContact CG1-CD1 3.76Å
55V96.6Very high97Very high37 Ų3753.1 Ų53.122%0.22429%0.293CS..  trans-123.9161.5-178.1-62.90000111A12 L14 L30 V57A12-V55 HydrophobicContact CB-CB 4.01Å; A12-V55 HydrophobicContact CB-CG1 4.35Å; A12-V55 HydrophobicContact CB-CG2 4.29Å; L14-V55 HydrophobicContact CD1-CG2 4.07Å; L14-V55 HydrophobicContact CD2-CG2 4.11Å; L14-V55 HydrophobicContact CG-CG2 4.2Å; L30-V55 PolarHBondContact O-N 3.23Å; V55-V57 PolarHBondContact O-N 2.98Å
56N96.8Very high97.2Very high18 Ų1854.6 Ų54.610%0.09630%0.304CS..SBendtrans56.532.7-179.8-49.6-50.6000113.4Q11 A12 H29 E80Q11-N56 VanDerWaalsContact CG-OD1 3.31Å; Q11-N56 WeakPolarHBondContact CG-OD1 3.16Å; A12-N56 PolarHBondContact N-OD1 2.87Å; A12-N56 PolarHBondContact O-ND2 2.91Å; H29-N56 WeakPolarHBondContact O-CB 3.48Å; H29-N56 PolarHBondContact O-ND2 3.32Å; N56-E80 PolarHBondContact O-N 2.96Å
57V97.4Very high97.2Very high22 Ų2255.3 Ų55.313%0.13330%0.299CS..EExtended strand (participates in β ladder)trans-119.9141.9173.2-54.30000111L30 V54 V55 I77 Y78 L86L30-V57 HydrophobicContact CD2-CG1 3.92Å; V54-V57 HydrophobicContact CB-CG2 4.39Å; V54-V57 HydrophobicContact CG2-CG1 4.41Å; V54-V57 HydrophobicContact CG2-CG2 3.45Å; V54-V57 VanDerWaalsContact CG2-CG2 3.45Å; V55-V57 PolarHBondContact O-N 2.98Å; V57-I77 HydrophobicContact CB-CB 4.39Å; V57-Y78 CarbonylContact C-O 3.56Å; V57-Y78 VanDerWaalsContact CA-O 3.22Å; V57-Y78 WeakPolarHBondContact CA-O 3.42Å; V57-L86 HydrophobicContact CG1-CD1 3.71Å
58G96.9Very high96.9Very high5 Ų555.7 Ų55.75%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-99.7151.5166.600000109.6I77 Y78 E80G58-I77 VanDerWaalsContact O-CA 3.28Å; G58-I77 WeakPolarHBondContact O-CA 3.28Å; G58-Y78 PolarHBondContact N-O 3.12Å; G58-Y78 WeakPolarHBondContact O-CD1 3.5Å; G58-Y78 PolarHBondContact O-N 3.02Å; G58-E80 VanDerWaalsContact N-CG 3.29Å
59C97.2Very high96.7Very high58 Ų5857.8 Ų57.839%0.39233%0.326SS..EExtended strand (participates in β ladder)trans-104.8139173.8-62.70000110.3A75 D76C59-A75 HydrophobicContact CB-CB 4.44Å; C59-D76 CarbonylContact C-O 3.58Å; C59-D76 WeakPolarHBondContact CA-O 3.49Å
60G97.1Very high96.5Very high26 Ų2656.8 Ų56.827%0.26833%0.326SS..EExtended strand (participates in β ladder)trans-76.8-175164.800000112.2D76G60-D76 PolarHBondContact N-O 2.95Å
61P97.6Very high96.5Very high98 Ų9859.9 Ų59.964%0.63634%0.342SS*.EExtended strand (participates in β ladder)trans-64.2149.6170.529.6-34.2000110.8
62A97.4Very high96.5Very high62 Ų6259.9 Ų59.951%0.51234%0.342SS..EExtended strand (participates in β ladder)trans-75.5133.5172.900000110.2V74 E91A62-V74 WeakPolarHBondContact CA-O 3.5Å; A62-E91 HydrophobicContact CB-CB 4.38Å; A62-E91 HydrophobicContact CB-CG 3.96Å
63E97.8Very high96.5Very high97 Ų9756.9 Ų56.945%0.45333%0.327SS..EExtended strand (participates in β ladder)trans-132141.7179.5-64.8178.2166.600110R65 A73 V74E63-R65 IonicContact OE2-CZ 2.88Å; E63-R65 IonicContact OE2-NE 2.81Å; E63-R65 IonicContact OE2-NH2 2.83Å; E63-R65 PolarHBondContact OE2-NH2 2.92Å; E63-A73 CarbonylContact O-C 3.6Å; E63-A73 WeakPolarHBondContact O-CA 3.27Å; E63-V74 PolarHBondContact N-O 2.78Å; E63-V74 PolarHBondContact O-N 3.05Å
64E98Very high96.6Very high133 Ų13354.4 Ų54.462%0.62131%0.31SS*.EExtended strand (participates in β ladder)trans-75.3127.4173.4-68.1-17517500110.7L71 H72E64-L71 HydrophobicContact CB-CD1 4.28Å; E64-H72 CarbonylContact C-O 3.54Å; E64-H72 WeakPolarHBondContact CA-O 3.45Å
65R97.1Very high96.7Very high65 Ų6553.6 Ų53.625%0.24531%0.305CS..EExtended strand (participates in β ladder)trans-135133.5179-60-172.6-168.8157.3-3.9110.2E63 L67 H72 V74 D76E63-R65 IonicContact OE2-CZ 2.88Å; E63-R65 IonicContact OE2-NE 2.81Å; E63-R65 IonicContact OE2-NH2 2.83Å; E63-R65 PolarHBondContact OE2-NH2 2.92Å; R65-L67 HydrophobicContact CB-CD2 4.31Å; R65-L67 PolarHBondContact O-N 3.42Å; R65-H72 PolarHBondContact N-O 3.24Å; R65-H72 PolarHBondContact O-N 3.38Å; R65-V74 HydrophobicContact CB-CG2 4.13Å; R65-V74 HydrophobicContact CG-CG2 3.86Å; R65-D76 IonicContact CZ-OD1 3.7Å; R65-D76 IonicContact CZ-OD2 2.7Å; R65-D76 IonicContact NH1-OD1 2.63Å; R65-D76 PolarHBondContact NH1-OD1 2.96Å; R65-D76 IonicContact NH1-OD2 3.46Å; R65-D76 VanDerWaalsContact NH2-CG 3.34Å; R65-D76 IonicContact NH2-OD1 3.67Å; R65-D76 PolarHBondContact NH2-OD1 3.27Å; R65-D76 IonicContact NH2-OD2 3.54Å; R65-D76 PolarHBondContact NH2-OD2 3.31Å
66L96.2Very high96.7Very high144 Ų14454.6 Ų54.675%0.75431%0.309SS*.EExtended strand (participates in β ladder)trans-79.9112.1171-171.168.8000108.7L71L66-L71 HydrophobicContact CD1-CB 4.47Å
67L94.1Very high96.8Very high51 Ų5153.7 Ų53.727%0.26730%0.304SS..EExtended strand (participates in β ladder)trans-106.6173.8177.6-57-180000109.8R65 T69 G70 H72 V74 Y90R65-L67 HydrophobicContact CB-CD2 4.31Å; R65-L67 PolarHBondContact O-N 3.42Å; L67-T69 PolarHBondContact O-N 2.99Å; L67-G70 PolarHBondContact N-O 3.1Å; L67-G70 PolarHBondContact O-N 3.17Å; L67-H72 HydrophobicContact CD1-CB 4.22Å; L67-V74 HydrophobicContact CD1-CG1 4.3Å; L67-Y90 HydrophobicContact CD1-CE1 3.72Å
68L91.1Very high96.8Very high179 Ų17956.7 Ų56.794%0.93731%0.314SS*.THydrogen-bonded Turntrans-53.7-32.7179.9-176.364.4000113.2
69T92.3Very high96.9Very high44 Ų4456.4 Ų56.427%0.2731%0.311SS..THydrogen-bonded Turntrans-9922.9-178.765.20000113.1L67 H72 Q98 K101L67-T69 PolarHBondContact O-N 2.99Å; T69-H72 PolarHBondContact O-CE1 2.63Å; T69-H72 PolarHBondContact OG1-CE1 3.17Å; T69-H72 VanDerWaalsContact OG1-CE1 3.27Å; T69-Q98 WeakPolarHBondContact O-CG 3.34Å; T69-Q98 PolarHBondContact OG1-OE1 2.78Å; T69-K101 PolarHBondContact OG1-NZ 2.81Å
70G95.3Very high96.9Very high12 Ų1256.6 Ų56.612%0.12431%0.306CS..EExtended strand (participates in β ladder)trans102.6-171.2178.800000114.5L67 H72L67-G70 PolarHBondContact N-O 3.1Å; L67-G70 PolarHBondContact O-N 3.17Å; G70-H72 PolarHBondContact O-CE1 3.26Å; G70-H72 PolarHBondContact O-ND1 2.8Å
71L97.6Very high96.7Very high64 Ų6459.9 Ų59.934%0.33532%0.318SS..EExtended strand (participates in β ladder)trans-72.7134.8-178.1-171.762.7000111.1E64 L66 F94E64-L71 HydrophobicContact CB-CD1 4.28Å; L66-L71 HydrophobicContact CD1-CB 4.47Å; L71-F94 HydrophobicContact CB-CD2 4.11Å; L71-F94 HydrophobicContact CD2-CD2 4.07Å; L71-F94 HydrophobicContact CD2-CE2 4.18Å; L71-F94 HydrophobicContact CD2-CG 4.47Å; L71-F94 HydrophobicContact CG-CD2 3.83Å; L71-F94 HydrophobicContact CG-CE2 4.04Å; L71-F94 WeakPolarHBondContact O-CD2 3.21Å; L71-F94 PolarHBondContact O-N 2.96Å
72H98.3Very high96.7Very high0 Ų057.2 Ų57.20%030%0.301CS..EExtended strand (participates in β ladder)trans-139.3146.9176.2-63.570.9000110E64 R65 L67 T69 G70 V74 Y90 Q92E64-H72 CarbonylContact C-O 3.54Å; E64-H72 WeakPolarHBondContact CA-O 3.45Å; R65-H72 PolarHBondContact N-O 3.24Å; R65-H72 PolarHBondContact O-N 3.38Å; L67-H72 HydrophobicContact CD1-CB 4.22Å; T69-H72 PolarHBondContact O-CE1 2.63Å; T69-H72 PolarHBondContact OG1-CE1 3.17Å; T69-H72 VanDerWaalsContact OG1-CE1 3.27Å; G70-H72 PolarHBondContact O-CE1 3.26Å; G70-H72 PolarHBondContact O-ND1 2.8Å; H72-V74 HydrophobicContact CB-CG1 3.88Å; H72-Y90 HydrophobicContact CB-CD1 4.23Å; H72-Y90 HydrophobicContact CB-CE1 4.37Å; H72-Y90 AromaticContact CD2-CD1 3.57Å; H72-Y90 AromaticContact CD2-CE1 3.59Å; H72-Y90 AromaticContact CG-CE1 3.96Å; H72-Q92 CarbonylContact C-O 3.53Å; H72-Q92 VanDerWaalsContact CA-O 3.29Å; H72-Q92 WeakPolarHBondContact CA-O 3.37Å
73A98.4Very high96.6Very high10 Ų1059 Ų598%0.08330%0.299CS..EExtended strand (participates in β ladder)trans-89122.2158.900000108.3E63 E91 Q92E63-A73 CarbonylContact O-C 3.6Å; E63-A73 WeakPolarHBondContact O-CA 3.27Å; A73-E91 HydrophobicContact CB-CB 4.47Å; A73-E91 PolarHBondContact O-N 2.93Å; A73-Q92 HydrophobicContact CB-CB 3.87Å; A73-Q92 PolarHBondContact N-O 3.39Å; A73-Q92 PolarHBondContact O-N 3.35Å
74V98.3Very high96.6Very high1 Ų156.2 Ų56.21%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-130.4147.6-178.1-59.40000110.8A62 E63 R65 L67 H72 W88 K89 Y90A62-V74 WeakPolarHBondContact CA-O 3.5Å; E63-V74 PolarHBondContact N-O 2.78Å; E63-V74 PolarHBondContact O-N 3.05Å; R65-V74 HydrophobicContact CB-CG2 4.13Å; R65-V74 HydrophobicContact CG-CG2 3.86Å; L67-V74 HydrophobicContact CD1-CG1 4.3Å; H72-V74 HydrophobicContact CB-CG1 3.88Å; V74-W88 HydrophobicContact CB-CB 4.31Å; V74-W88 HydrophobicContact CB-CG 4.28Å; V74-K89 CarbonylContact C-O 3.58Å; V74-K89 WeakPolarHBondContact CA-O 3.41Å; V74-K89 WeakPolarHBondContact CB-O 3.22Å; V74-Y90 HydrophobicContact CG1-CD1 3.75Å; V74-Y90 HydrophobicContact CG1-CE1 4.09Å; V74-Y90 HydrophobicContact CG1-CG 4.48Å
75A98.5Very high96.6Very high0 Ų053.6 Ų53.60%028%0.281CS..EExtended strand (participates in β ladder)trans-114.8127.1174.900000109.4C59 I77 W88 K89 E91C59-A75 HydrophobicContact CB-CB 4.44Å; A75-I77 PolarHBondContact O-N 3.5Å; A75-W88 CarbonylContact O-C 3.49Å; A75-W88 WeakPolarHBondContact O-CA 3.44Å; A75-W88 WeakPolarHBondContact O-CB 3.47Å; A75-K89 PolarHBondContact N-O 2.75Å; A75-K89 PolarHBondContact O-N 3.23Å; A75-E91 HydrophobicContact CB-CG 4.07Å
76D98.1Very high96.6Very high57 Ų5750.5 Ų50.531%0.30527%0.27SS..EExtended strand (participates in β ladder)trans-61.9138.3174.7-71.5-31000110.3C59 G60 R65C59-D76 CarbonylContact C-O 3.58Å; C59-D76 WeakPolarHBondContact CA-O 3.49Å; G60-D76 PolarHBondContact N-O 2.95Å; R65-D76 IonicContact CZ-OD1 3.7Å; R65-D76 IonicContact CZ-OD2 2.7Å; R65-D76 IonicContact NH1-OD1 2.63Å; R65-D76 PolarHBondContact NH1-OD1 2.96Å; R65-D76 IonicContact NH1-OD2 3.46Å; R65-D76 VanDerWaalsContact NH2-CG 3.34Å; R65-D76 IonicContact NH2-OD1 3.67Å; R65-D76 PolarHBondContact NH2-OD1 3.27Å; R65-D76 IonicContact NH2-OD2 3.54Å; R65-D76 PolarHBondContact NH2-OD2 3.31Å
77I98.4Very high96.7Very high0 Ų043.8 Ų43.80%024%0.236CC..EExtended strand (participates in β ladder)trans-109.1139.9174.561.4165.6000110.4V57 G58 A75 L86 G87 K89 F105 I107V57-I77 HydrophobicContact CB-CB 4.39Å; G58-I77 VanDerWaalsContact O-CA 3.28Å; G58-I77 WeakPolarHBondContact O-CA 3.28Å; A75-I77 PolarHBondContact O-N 3.5Å; I77-L86 HydrophobicContact CD1-CB 4.38Å; I77-L86 HydrophobicContact CG1-CB 4.28Å; I77-L86 PolarHBondContact O-N 3.06Å; I77-G87 VanDerWaalsContact CG1-C 3.44Å; I77-G87 WeakPolarHBondContact CG1-O 3.43Å; I77-G87 PolarHBondContact N-O 3.42Å; I77-K89 HydrophobicContact CG2-CB 4.07Å; I77-F105 HydrophobicContact CD1-CD1 4.31Å; I77-F105 HydrophobicContact CG2-CD1 4.2Å; I77-F105 HydrophobicContact CG2-CE1 4.42Å; I77-I107 HydrophobicContact CD1-CG1 3.93Å
78Y98.2Very high96.9Very high84 Ų8442.8 Ų42.833%0.32923%0.228SC..EExtended strand (participates in β ladder)trans-130.9149178.252.3-90.6000110.3V57 G58 E80 T84V57-Y78 CarbonylContact C-O 3.56Å; V57-Y78 VanDerWaalsContact CA-O 3.22Å; V57-Y78 WeakPolarHBondContact CA-O 3.42Å; G58-Y78 PolarHBondContact N-O 3.12Å; G58-Y78 WeakPolarHBondContact O-CD1 3.5Å; G58-Y78 PolarHBondContact O-N 3.02Å; Y78-E80 PolarHBondContact O-N 3.42Å; Y78-T84 CarbonylContact C-O 3.51Å; Y78-T84 VanDerWaalsContact CA-O 3.27Å; Y78-T84 WeakPolarHBondContact CA-O 3.49Å
79C97.8Very high97.2Very high0 Ų036.2 Ų36.20%019%0.192CC..EExtended strand (participates in β ladder)trans-62.3127.8174.2-176.40000109.6N81 H83 T84 L86C79-N81 PolarHBondContact O-N 3.41Å; C79-H83 WeakPolarHBondContact O-CA 3.13Å; C79-H83 PolarHBondContact O-N 2.78Å; C79-T84 PolarHBondContact N-O 2.8Å; C79-L86 HydrophobicContact CB-CD1 3.96Å; C79-L86 HydrophobicContact CB-CD2 4.29Å; C79-L86 HydrophobicContact CB-CG 4.28Å
80E96.6Very high97.5Very high61 Ų6134.5 Ų34.529%0.28518%0.181SC..THydrogen-bonded Turntrans-67.6-20.9179.3-67.9-167.8136.700113K8 N56 G58 Y78K8-E80 WeakPolarHBondContact CD-OE2 3.22Å; K8-E80 WeakPolarHBondContact CE-OE1 3.15Å; K8-E80 IonicContact NZ-OE1 2.77Å; K8-E80 PolarHBondContact NZ-OE1 2.94Å; K8-E80 IonicContact NZ-OE2 2.89Å; K8-E80 PolarHBondContact NZ-OE2 3.4Å; N56-E80 PolarHBondContact O-N 2.96Å; G58-E80 VanDerWaalsContact N-CG 3.29Å; Y78-E80 PolarHBondContact O-N 3.42Å
81N94.4Very high97.7Very high96 Ų9637.3 Ų37.351%0.51319%0.191SC..THydrogen-bonded Turntrans-87.7-44.8-176.9-170.751.9000113C26 A28 C79C26-N81 WeakPolarHBondContact CB-ND2 3.11Å; C26-N81 PolarHBondContact SG-ND2 2.78Å; C26-N81 VanDerWaalsContact SG-ND2 3.41Å; A28-N81 HydrophobicContact CB-CB 4.19Å; C79-N81 PolarHBondContact O-N 3.41Å
82C96.1Very high97.7Very high42 Ų4238.5 Ų38.528%0.28419%0.194SC..THydrogen-bonded Turntrans-114.3-0.3-177.4700000114.6C23 C26 T84C23-C82 VanDerWaalsContact SG-SG 3.7Å; C26-C82 HydrophobicContact CB-CB 3.83Å; C26-C82 VanDerWaalsContact SG-SG 3.63Å; C82-T84 PolarHBondContact O-N 3.08Å; C82-T84 PolarHBondContact SG-OG1 3.29Å
83H96.4Very high97.7Very high99 Ų9938.5 Ų38.546%0.45819%0.194SC..  trans59.311.7179.3-56.7-61.8000115.7C79 T85C79-H83 WeakPolarHBondContact O-CA 3.13Å; C79-H83 PolarHBondContact O-N 2.78Å; H83-T85 PolarHBondContact O-N 3.23Å
84T97Very high97.6Very high38 Ų3842.5 Ų42.523%0.23321%0.21CC..  trans-68.3132173-510000110.1Y78 C79 C82 L86Y78-T84 CarbonylContact C-O 3.51Å; Y78-T84 VanDerWaalsContact CA-O 3.27Å; Y78-T84 WeakPolarHBondContact CA-O 3.49Å; C79-T84 PolarHBondContact N-O 2.8Å; C82-T84 PolarHBondContact O-N 3.08Å; C82-T84 PolarHBondContact SG-OG1 3.29Å; T84-L86 WeakPolarHBondContact O-CG 3.34Å; T84-L86 PolarHBondContact O-N 2.96Å
85T97.6Very high97.5Very high78 Ų7846.8 Ų46.848%0.47923%0.23SC..EExtended strand (participates in β ladder)trans-62129.5170.3-51.80000109.8H83 H111H83-T85 PolarHBondContact O-N 3.23Å; T85-H111 PolarHBondContact O-CD2 2.89Å; T85-H111 VanDerWaalsContact O-CD2 3.27Å
86L97.9Very high97.4Very high0 Ų054.2 Ų54.20%027%0.269CS..EExtended strand (participates in β ladder)trans-109-25.7-175.3-58.3175.1000112.6L30 V57 I77 C79 T84 I107 E108 H111L30-L86 HydrophobicContact CD1-CD1 3.81Å; L30-L86 HydrophobicContact CD1-CD2 4.23Å; L30-L86 HydrophobicContact CD2-CD1 3.51Å; L30-L86 HydrophobicContact CG-CD1 4.31Å; V57-L86 HydrophobicContact CG1-CD1 3.71Å; I77-L86 HydrophobicContact CD1-CB 4.38Å; I77-L86 HydrophobicContact CG1-CB 4.28Å; I77-L86 PolarHBondContact O-N 3.06Å; C79-L86 HydrophobicContact CB-CD1 3.96Å; C79-L86 HydrophobicContact CB-CD2 4.29Å; C79-L86 HydrophobicContact CB-CG 4.28Å; T84-L86 WeakPolarHBondContact O-CG 3.34Å; T84-L86 PolarHBondContact O-N 2.96Å; L86-I107 HydrophobicContact CB-CG2 4.4Å; L86-I107 WeakPolarHBondContact O-CA 3.48Å; L86-E108 PolarHBondContact O-N 3.15Å; L86-H111 HydrophobicContact CD2-CB 3.8Å
87G98Very high97.4Very high4 Ų455 Ų554%0.04128%0.279CS..EExtended strand (participates in β ladder)trans157-141-174.200000110.2I77 I106I77-G87 VanDerWaalsContact CG1-C 3.44Å; I77-G87 WeakPolarHBondContact CG1-O 3.43Å; I77-G87 PolarHBondContact N-O 3.42Å; G87-I106 WeakPolarHBondContact CA-O 3.5Å
88W98.4Very high97.3Very high29 Ų2956.1 Ų56.111%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-146.4158.4-178.863.891.6000113.1V74 A75 Y90 I106V74-W88 HydrophobicContact CB-CB 4.31Å; V74-W88 HydrophobicContact CB-CG 4.28Å; A75-W88 CarbonylContact O-C 3.49Å; A75-W88 WeakPolarHBondContact O-CA 3.44Å; A75-W88 WeakPolarHBondContact O-CB 3.47Å; W88-Y90 AromaticContact NE1-CE1 3.8Å; W88-Y90 AromaticContact NE1-CE2 3.64Å; W88-Y90 AromaticContact NE1-CZ 3.4Å; W88-I106 HydrophobicContact CD2-CB 3.9Å; W88-I106 HydrophobicContact CD2-CG1 4.36Å; W88-I106 HydrophobicContact CD2-CG2 4.14Å; W88-I106 HydrophobicContact CE3-CB 4.27Å; W88-I106 HydrophobicContact CE3-CG2 4.04Å; W88-I106 HydrophobicContact CG-CB 4.38Å; W88-I106 HydrophobicContact CH2-CB 4.23Å; W88-I106 HydrophobicContact CH2-CG1 4.48Å; W88-I106 HydrophobicContact CH2-CG2 3.54Å; W88-I106 HydrophobicContact CZ2-CB 3.87Å; W88-I106 HydrophobicContact CZ2-CG1 3.73Å; W88-I106 HydrophobicContact CZ2-CG2 3.65Å; W88-I106 HydrophobicContact CZ3-CB 4.42Å; W88-I106 HydrophobicContact CZ3-CG2 3.74Å; W88-I106 PolarHBondContact N-O 3.33Å; W88-I106 VanDerWaalsContact N-O 3.12Å; W88-I106 PolarHBondContact O-N 2.87Å
89K98.6Very high97.3Very high42 Ų4255.7 Ų55.718%0.18328%0.284CS..EExtended strand (participates in β ladder)trans-101138.7167.3-176.7-172.4164.3-143.60109.2V74 A75 I77 E91 K104 F105V74-K89 CarbonylContact C-O 3.58Å; V74-K89 WeakPolarHBondContact CA-O 3.41Å; V74-K89 WeakPolarHBondContact CB-O 3.22Å; A75-K89 PolarHBondContact N-O 2.75Å; A75-K89 PolarHBondContact O-N 3.23Å; I77-K89 HydrophobicContact CG2-CB 4.07Å; K89-E91 WeakPolarHBondContact CD-OE1 3.35Å; K89-E91 WeakPolarHBondContact CE-OE1 3.27Å; K89-E91 IonicContact NZ-OE1 2.8Å; K89-E91 PolarHBondContact NZ-OE1 3.26Å; K89-E91 IonicContact NZ-OE2 3.57Å; K89-E91 PolarHBondContact NZ-OE2 3.09Å; K89-E91 PolarHBondContact O-N 2.84Å; K89-K104 WeakPolarHBondContact CA-O 3.36Å; K89-F105 HydrophobicContact CB-CD1 3.7Å; K89-F105 HydrophobicContact CB-CE1 3.79Å; K89-F105 HydrophobicContact CD-CD1 4.22Å; K89-F105 HydrophobicContact CD-CE1 3.5Å; K89-F105 VanDerWaalsContact CD-CE1 3.5Å; K89-F105 HydrophobicContact CD-CE2 4.48Å; K89-F105 HydrophobicContact CD-CZ 3.65Å; K89-F105 HydrophobicContact CG-CD1 3.81Å; K89-F105 HydrophobicContact CG-CE1 3.62Å; K89-F105 HydrophobicContact CG-CG 4.39Å; K89-F105 HydrophobicContact CG-CZ 4Å
90Y98.4Very high97.3Very high7 Ų761.7 Ų61.73%0.02731%0.308CS..EExtended strand (participates in β ladder)trans-79.3114.9168.8-70.6-80.5000109.7L50 L67 H72 V74 W88 K101 G103 K104 I106L50-Y90 HydrophobicContact CD1-CD2 4.35Å; L50-Y90 HydrophobicContact CD1-CE2 4.12Å; L67-Y90 HydrophobicContact CD1-CE1 3.72Å; H72-Y90 HydrophobicContact CB-CD1 4.23Å; H72-Y90 HydrophobicContact CB-CE1 4.37Å; H72-Y90 AromaticContact CD2-CD1 3.57Å; H72-Y90 AromaticContact CD2-CE1 3.59Å; H72-Y90 AromaticContact CG-CE1 3.96Å; V74-Y90 HydrophobicContact CG1-CD1 3.75Å; V74-Y90 HydrophobicContact CG1-CE1 4.09Å; V74-Y90 HydrophobicContact CG1-CG 4.48Å; W88-Y90 AromaticContact NE1-CE1 3.8Å; W88-Y90 AromaticContact NE1-CE2 3.64Å; W88-Y90 AromaticContact NE1-CZ 3.4Å; Y90-K101 WeakPolarHBondContact CB-O 3.16Å; Y90-K101 HydrophobicContact CD1-CB 4.22Å; Y90-K101 HydrophobicContact CD2-CB 3.8Å; Y90-K101 HydrophobicContact CE1-CD 4.07Å; Y90-K101 HydrophobicContact CE2-CB 4.14Å; Y90-K101 HydrophobicContact CE2-CD 4.11Å; Y90-K101 HydrophobicContact CE2-CG 4.4Å; Y90-K101 HydrophobicContact CG-CB 3.84Å; Y90-G103 WeakPolarHBondContact O-CA 3.26Å; Y90-G103 PolarHBondContact O-N 2.91Å; Y90-K104 PolarHBondContact N-O 3.44Å; Y90-I106 HydrophobicContact CD2-CG1 4.38Å; Y90-I106 HydrophobicContact CE2-CD1 4.14Å; Y90-I106 HydrophobicContact CE2-CG1 3.57Å
91E98.3Very high97.3Very high72 Ų7259 Ų5934%0.33630%0.295SS..EExtended strand (participates in β ladder)trans-88.3-40.7174.2-65.7-63.4167.400110.7A62 A73 A75 K89A62-E91 HydrophobicContact CB-CB 4.38Å; A62-E91 HydrophobicContact CB-CG 3.96Å; A73-E91 HydrophobicContact CB-CB 4.47Å; A73-E91 PolarHBondContact O-N 2.93Å; A75-E91 HydrophobicContact CB-CG 4.07Å; K89-E91 WeakPolarHBondContact CD-OE1 3.35Å; K89-E91 WeakPolarHBondContact CE-OE1 3.27Å; K89-E91 IonicContact NZ-OE1 2.8Å; K89-E91 PolarHBondContact NZ-OE1 3.26Å; K89-E91 IonicContact NZ-OE2 3.57Å; K89-E91 PolarHBondContact NZ-OE2 3.09Å; K89-E91 PolarHBondContact O-N 2.84Å
92Q98.1Very high97.5Very high88 Ų8857.3 Ų57.341%0.41128%0.284SS..EExtended strand (participates in β ladder)trans-148.9142.1179.1-161.5173.512.500111.5H72 A73 E102H72-Q92 CarbonylContact C-O 3.53Å; H72-Q92 VanDerWaalsContact CA-O 3.29Å; H72-Q92 WeakPolarHBondContact CA-O 3.37Å; A73-Q92 HydrophobicContact CB-CB 3.87Å; A73-Q92 PolarHBondContact N-O 3.39Å; A73-Q92 PolarHBondContact O-N 3.35Å; Q92-E102 WeakPolarHBondContact CA-OE1 3.48Å
93A97.7Very high97.6Very high0 Ų056.8 Ų56.80%029%0.286CS..EExtended strand (participates in β ladder)trans-116.6134.5167.700000109.2Q98 K99 E102A93-Q98 HydrophobicContact CB-CB 3.81Å; A93-K99 WeakPolarHBondContact O-CE 3.34Å; A93-K99 PolarHBondContact O-NZ 3.22Å; A93-E102 HydrophobicContact CB-CG 4.15Å; A93-E102 PolarHBondContact N-OE1 2.78Å
94F96.4Very high97.7Very high95 Ų9554.4 Ų54.442%0.41727%0.274SS..SBendtrans-88.3-21.5-176.8-68-90.5000112.7L71L71-F94 HydrophobicContact CB-CD2 4.11Å; L71-F94 HydrophobicContact CD2-CD2 4.07Å; L71-F94 HydrophobicContact CD2-CE2 4.18Å; L71-F94 HydrophobicContact CD2-CG 4.47Å; L71-F94 HydrophobicContact CG-CD2 3.83Å; L71-F94 HydrophobicContact CG-CE2 4.04Å; L71-F94 WeakPolarHBondContact O-CD2 3.21Å; L71-F94 PolarHBondContact O-N 2.96Å
95E96.8Very high97.8Very high91 Ų9154 Ų5443%0.42527%0.269SS..SBendtrans-91.8133.3173.5-66.3-176.1-161.600111.6S97 Q98 K99E95-S97 PolarHBondContact O-N 2.79Å; E95-Q98 HydrophobicContact CB-CB 4.4Å; E95-Q98 HydrophobicContact CB-CG 3.99Å; E95-Q98 PolarHBondContact O-N 2.81Å; E95-K99 PolarHBondContact O-N 2.9Å
96L96.5Very high97.8Very high155 Ų15550.2 Ų50.281%0.81225%0.246SC*.G310 helixtrans-57.3-36.9178.9-70.6174.3000112.8Q98 K99L96-Q98 PolarHBondContact O-N 3.28Å; L96-Q98 VanDerWaalsContact O-N 3.17Å; L96-K99 HydrophobicContact CD2-CG 4.41Å; L96-K99 WeakPolarHBondContact O-CB 3.33Å; L96-K99 PolarHBondContact O-N 2.77Å
97S97Very high97.9Very high73 Ų7350.2 Ų50.251%0.5125%0.246SC..G310 helixtrans-63.6-19177.9670000113.2E95 Y100E95-S97 PolarHBondContact O-N 2.79Å; S97-Y100 WeakPolarHBondContact O-CD1 3.38Å; S97-Y100 WeakPolarHBondContact O-CE1 3.45Å
98Q97.8Very high97.9Very high25 Ų2550.5 Ų50.512%0.11725%0.246CC..G310 helixtrans-105-3.7-177-55-51.3-52.900113.3T69 A93 E95 L96 Y100 K101T69-Q98 WeakPolarHBondContact O-CG 3.34Å; T69-Q98 PolarHBondContact OG1-OE1 2.78Å; A93-Q98 HydrophobicContact CB-CB 3.81Å; E95-Q98 HydrophobicContact CB-CB 4.4Å; E95-Q98 HydrophobicContact CB-CG 3.99Å; E95-Q98 PolarHBondContact O-N 2.81Å; L96-Q98 PolarHBondContact O-N 3.28Å; L96-Q98 VanDerWaalsContact O-N 3.17Å; Q98-Y100 PolarHBondContact O-N 2.89Å; Q98-Y100 VanDerWaalsContact O-N 3.1Å; Q98-K101 WeakPolarHBondContact O-CB 3.39Å; Q98-K101 PolarHBondContact O-N 3.3Å
99K97.6Very high97.8Very high74 Ų7451.2 Ų51.232%0.32225%0.252SS..G310 helixtrans-57.5-27.7-177.2-73.7-67.7-173.6-178.30114.5A93 E95 L96 K101 E102A93-K99 WeakPolarHBondContact O-CE 3.34Å; A93-K99 PolarHBondContact O-NZ 3.22Å; E95-K99 PolarHBondContact O-N 2.9Å; L96-K99 HydrophobicContact CD2-CG 4.41Å; L96-K99 WeakPolarHBondContact O-CB 3.33Å; L96-K99 PolarHBondContact O-N 2.77Å; K99-K101 PolarHBondContact O-N 3.41Å; K99-E102 VanDerWaalsContact CD-CD 3.4Å; K99-E102 HydrophobicContact CD-CG 4.31Å; K99-E102 WeakPolarHBondContact CD-OE1 3.28Å; K99-E102 WeakPolarHBondContact CD-OE2 3.21Å; K99-E102 WeakPolarHBondContact CE-OE1 3.26Å; K99-E102 IonicContact NZ-OE1 2.63Å; K99-E102 PolarHBondContact NZ-OE1 3.28Å; K99-E102 IonicContact NZ-OE2 2.84Å; K99-E102 WeakPolarHBondContact O-CB 3.31Å; K99-E102 PolarHBondContact O-N 3.11Å
100Y97.2Very high97.7Very high126 Ų12651.8 Ų51.849%0.49426%0.261SS..G310 helixtrans-60.4-18.5176.276.8-89.9000113.7L50 S97 Q98 K104L50-Y100 HydrophobicContact CD2-CE2 4.23Å; S97-Y100 WeakPolarHBondContact O-CD1 3.38Å; S97-Y100 WeakPolarHBondContact O-CE1 3.45Å; Q98-Y100 PolarHBondContact O-N 2.89Å; Q98-Y100 VanDerWaalsContact O-N 3.1Å; Y100-K104 WeakPolarHBondContact O-CG 3.48Å
101K98.1Very high97.6Very high4 Ų452.4 Ų52.42%0.01727%0.265CS..G310 helixtrans-80.4-20.9177.5-62.9175.6177.9173.90112.9F41 T69 Y90 Q98 K99 G103 K104F41-K101 HydrophobicContact CE1-CD 4.42Å; T69-K101 PolarHBondContact OG1-NZ 2.81Å; Y90-K101 WeakPolarHBondContact CB-O 3.16Å; Y90-K101 HydrophobicContact CD1-CB 4.22Å; Y90-K101 HydrophobicContact CD2-CB 3.8Å; Y90-K101 HydrophobicContact CE1-CD 4.07Å; Y90-K101 HydrophobicContact CE2-CB 4.14Å; Y90-K101 HydrophobicContact CE2-CD 4.11Å; Y90-K101 HydrophobicContact CE2-CG 4.4Å; Y90-K101 HydrophobicContact CG-CB 3.84Å; Q98-K101 WeakPolarHBondContact O-CB 3.39Å; Q98-K101 PolarHBondContact O-N 3.3Å; K99-K101 PolarHBondContact O-N 3.41Å; K101-G103 PolarHBondContact O-N 2.88Å; K101-K104 WeakPolarHBondContact O-CA 3.45Å; K101-K104 WeakPolarHBondContact O-CB 3.45Å; K101-K104 VanDerWaalsContact O-CG 3.22Å; K101-K104 WeakPolarHBondContact O-CG 3.36Å; K101-K104 PolarHBondContact O-N 2.89Å
102E98.3Very high97.5Very high62 Ų6249.8 Ų49.829%0.2925%0.252SS..THydrogen-bonded Turntrans-58.8133.6-176.8-64.8-17516100111.2Q92 A93 K99 K104Q92-E102 WeakPolarHBondContact CA-OE1 3.48Å; A93-E102 HydrophobicContact CB-CG 4.15Å; A93-E102 PolarHBondContact N-OE1 2.78Å; K99-E102 VanDerWaalsContact CD-CD 3.4Å; K99-E102 HydrophobicContact CD-CG 4.31Å; K99-E102 WeakPolarHBondContact CD-OE1 3.28Å; K99-E102 WeakPolarHBondContact CD-OE2 3.21Å; K99-E102 WeakPolarHBondContact CE-OE1 3.26Å; K99-E102 IonicContact NZ-OE1 2.63Å; K99-E102 PolarHBondContact NZ-OE1 3.28Å; K99-E102 IonicContact NZ-OE2 2.84Å; K99-E102 WeakPolarHBondContact O-CB 3.31Å; K99-E102 PolarHBondContact O-N 3.11Å; E102-K104 PolarHBondContact O-N 3.03Å
103G98.1Very high97.4Very high31 Ų3147.7 Ų47.732%0.3224%0.244SC..THydrogen-bonded Turntrans74.9-2.7-173.900000115.2Y90 K101 F105Y90-G103 WeakPolarHBondContact O-CA 3.26Å; Y90-G103 PolarHBondContact O-N 2.91Å; K101-G103 PolarHBondContact O-N 2.88Å; G103-F105 VanDerWaalsContact O-CE2 3.28Å; G103-F105 WeakPolarHBondContact O-CE2 3.26Å
104K98.5Very high97.1Very high49 Ų4951.9 Ų51.921%0.21326%0.262CS..  trans-91.2160.6179.9-49-54.3175.8-1520111.6I37 L50 F51 N52 K89 Y90 Y100 K101 E102I37-K104 HydrophobicContact CD1-CD 3.64Å; I37-K104 HydrophobicContact CD1-CG 4.08Å; L50-K104 HydrophobicContact CD1-CB 3.63Å; L50-K104 HydrophobicContact CG-CB 4.2Å; F51-K104 WeakPolarHBondContact O-CB 3.3Å; N52-K104 PolarHBondContact OD1-NZ 2.89Å; K89-K104 WeakPolarHBondContact CA-O 3.36Å; Y90-K104 PolarHBondContact N-O 3.44Å; Y100-K104 WeakPolarHBondContact O-CG 3.48Å; K101-K104 WeakPolarHBondContact O-CA 3.45Å; K101-K104 WeakPolarHBondContact O-CB 3.45Å; K101-K104 VanDerWaalsContact O-CG 3.22Å; K101-K104 WeakPolarHBondContact O-CG 3.36Å; K101-K104 PolarHBondContact O-N 2.89Å; E102-K104 PolarHBondContact O-N 3.03Å
105F98.6Very high96.6Very high28 Ų2850 Ų5012%0.12326%0.256CS..EExtended strand (participates in β ladder)trans-119.2136.8-171.4-60.8-95.4000111.5L50 F51 V54 I77 K89 G103L50-F105 CarbonylContact C-O 3.5Å; L50-F105 WeakPolarHBondContact CA-O 3.44Å; F51-F105 HydrophobicContact CB-CB 4.49Å; F51-F105 PolarHBondContact N-O 2.99Å; F51-F105 PolarHBondContact O-N 3.08Å; V54-F105 HydrophobicContact CB-CD1 4.47Å; V54-F105 HydrophobicContact CB-CG 4.27Å; V54-F105 HydrophobicContact CG1-CB 3.61Å; V54-F105 HydrophobicContact CG1-CD1 4.43Å; V54-F105 HydrophobicContact CG1-CD2 4.19Å; V54-F105 HydrophobicContact CG1-CG 3.85Å; V54-F105 HydrophobicContact CG2-CB 4Å; V54-F105 HydrophobicContact CG2-CD1 3.22Å; V54-F105 HydrophobicContact CG2-CD2 3.75Å; V54-F105 HydrophobicContact CG2-CE1 3.41Å; V54-F105 VanDerWaalsContact CG2-CE1 3.41Å; V54-F105 HydrophobicContact CG2-CE2 3.96Å; V54-F105 HydrophobicContact CG2-CG 3.38Å; V54-F105 HydrophobicContact CG2-CZ 3.78Å; I77-F105 HydrophobicContact CD1-CD1 4.31Å; I77-F105 HydrophobicContact CG2-CD1 4.2Å; I77-F105 HydrophobicContact CG2-CE1 4.42Å; K89-F105 HydrophobicContact CB-CD1 3.7Å; K89-F105 HydrophobicContact CB-CE1 3.79Å; K89-F105 HydrophobicContact CD-CD1 4.22Å; K89-F105 HydrophobicContact CD-CE1 3.5Å; K89-F105 VanDerWaalsContact CD-CE1 3.5Å; K89-F105 HydrophobicContact CD-CE2 4.48Å; K89-F105 HydrophobicContact CD-CZ 3.65Å; K89-F105 HydrophobicContact CG-CD1 3.81Å; K89-F105 HydrophobicContact CG-CE1 3.62Å; K89-F105 HydrophobicContact CG-CG 4.39Å; K89-F105 HydrophobicContact CG-CZ 4Å; G103-F105 VanDerWaalsContact O-CE2 3.28Å; G103-F105 WeakPolarHBondContact O-CE2 3.26Å
106I98.3Very high95.8Very high0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-102.8128.4168.5-65.1-69.8000108.5F41 A48 Y49 L50 G87 W88 Y90F41-I106 HydrophobicContact CB-CD1 3.88Å; F41-I106 HydrophobicContact CD1-CD1 3.49Å; F41-I106 VanDerWaalsContact CD1-CD1 3.49Å; F41-I106 HydrophobicContact CD2-CD1 4.46Å; F41-I106 HydrophobicContact CE1-CD1 4.11Å; F41-I106 HydrophobicContact CG-CD1 3.69Å; A48-I106 HydrophobicContact CB-CG2 3.51Å; Y49-I106 WeakPolarHBondContact O-CA 3.46Å; L50-I106 HydrophobicContact CB-CD1 3.97Å; L50-I106 HydrophobicContact CD1-CD1 3.6Å; L50-I106 HydrophobicContact CD1-CG1 4.16Å; L50-I106 HydrophobicContact CG-CD1 4.43Å; G87-I106 WeakPolarHBondContact CA-O 3.5Å; W88-I106 HydrophobicContact CD2-CB 3.9Å; W88-I106 HydrophobicContact CD2-CG1 4.36Å; W88-I106 HydrophobicContact CD2-CG2 4.14Å; W88-I106 HydrophobicContact CE3-CB 4.27Å; W88-I106 HydrophobicContact CE3-CG2 4.04Å; W88-I106 HydrophobicContact CG-CB 4.38Å; W88-I106 HydrophobicContact CH2-CB 4.23Å; W88-I106 HydrophobicContact CH2-CG1 4.48Å; W88-I106 HydrophobicContact CH2-CG2 3.54Å; W88-I106 HydrophobicContact CZ2-CB 3.87Å; W88-I106 HydrophobicContact CZ2-CG1 3.73Å; W88-I106 HydrophobicContact CZ2-CG2 3.65Å; W88-I106 HydrophobicContact CZ3-CB 4.42Å; W88-I106 HydrophobicContact CZ3-CG2 3.74Å; W88-I106 PolarHBondContact N-O 3.33Å; W88-I106 VanDerWaalsContact N-O 3.12Å; W88-I106 PolarHBondContact O-N 2.87Å; Y90-I106 HydrophobicContact CD2-CG1 4.38Å; Y90-I106 HydrophobicContact CE2-CD1 4.14Å; Y90-I106 HydrophobicContact CE2-CG1 3.57Å
107I98.3Very high94.4Very high0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-121.7126.6168-60.9174.4000108.6L30 A48 Y49 F51 V54 I77 L86 M112L30-I107 HydrophobicContact CB-CD1 4.06Å; L30-I107 HydrophobicContact CD1-CD1 4.37Å; A48-I107 WeakPolarHBondContact CA-O 3.27Å; Y49-I107 PolarHBondContact N-O 3.43Å; Y49-I107 PolarHBondContact O-N 3.34Å; Y49-I107 VanDerWaalsContact O-N 3.08Å; F51-I107 HydrophobicContact CD2-CB 4.47Å; F51-I107 HydrophobicContact CD2-CD1 4.28Å; F51-I107 HydrophobicContact CD2-CG1 4.4Å; F51-I107 HydrophobicContact CE2-CB 4.2Å; F51-I107 HydrophobicContact CE2-CD1 4.34Å; V54-I107 HydrophobicContact CG1-CD1 3.76Å; I77-I107 HydrophobicContact CD1-CG1 3.93Å; L86-I107 HydrophobicContact CB-CG2 4.4Å; L86-I107 WeakPolarHBondContact O-CA 3.48Å; I107-M112 HydrophobicContact CB-SD 4.16Å; I107-M112 HydrophobicContact CG2-CB 3.84Å; I107-M112 HydrophobicContact CG2-CG 4.28Å; I107-M112 HydrophobicContact CG2-SD 3.7Å
108E97.9Very high92.8Very high9 Ų949.9 Ų49.94%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-74.2140.2175.4-65.8-172.2134.100111.2G43 S44 Q45 A48 L86 S110 H111G43-E108 WeakPolarHBondContact CA-OE1 3.26Å; S44-E108 PolarHBondContact N-OE1 2.8Å; S44-E108 PolarHBondContact OG-OE1 2.78Å; Q45-E108 WeakPolarHBondContact CB-OE2 3.46Å; Q45-E108 WeakPolarHBondContact CG-OE2 3.21Å; Q45-E108 PolarHBondContact N-OE1 3.37Å; A48-E108 HydrophobicContact CB-CG 4.11Å; L86-E108 PolarHBondContact O-N 3.15Å; E108-S110 PolarHBondContact O-N 2.95Å; E108-H111 PolarHBondContact O-N 2.77Å; E108-H111 VanDerWaalsContact O-N 3.12Å
109L97.1Very high90.8Very high45 Ų4560.1 Ų60.124%0.23630%0.302CS..G310 helixtrans-67.3-23.3-177.2-90.361000112.7R47 Y49 H111 M112R47-L109 HydrophobicContact CB-CD2 4.06Å; R47-L109 PolarHBondContact O-N 3.46Å; Y49-L109 HydrophobicContact CD1-CD1 3.58Å; Y49-L109 HydrophobicContact CD2-CD1 4Å; Y49-L109 HydrophobicContact CE1-CD1 3.66Å; Y49-L109 HydrophobicContact CE1-CD2 4.02Å; Y49-L109 HydrophobicContact CE1-CG 4.42Å; Y49-L109 HydrophobicContact CE2-CD1 4.06Å; Y49-L109 HydrophobicContact CG-CD1 3.76Å; L109-H111 PolarHBondContact O-N 3.03Å; L109-M112 HydrophobicContact CD1-CE 4.07Å; L109-M112 HydrophobicContact CG-CE 4.46Å; L109-M112 PolarHBondContact O-N 2.78Å; L109-M112 VanDerWaalsContact O-O 3.13Å
110S97Very high90.4Very high54 Ų5459.5 Ų59.538%0.37830%0.301SS..G310 helixtrans-59.7-26.4174.151.30000112.4Q45 E108Q45-S110 PolarHBondContact OE1-OG 2.92Å; E108-S110 PolarHBondContact O-N 2.95Å
111H96.8Very high90.1Very high20 Ų2055.9 Ų55.99%0.09329%0.291CS..G310 helixtrans-107.74.6-175-62.6-56.1000113.9V24 H25 Q45 T85 L86 E108 L109V24-H111 PolarHBondContact N-O 3.27Å; H25-H111 AromaticContact NE2-ND1 3.37Å; H25-H111 PolarHBondContact NE2-ND1 2.79Å; Q45-H111 PolarHBondContact NE2-NE2 3.27Å; Q45-H111 PolarHBondContact OE1-NE2 3.01Å; T85-H111 PolarHBondContact O-CD2 2.89Å; T85-H111 VanDerWaalsContact O-CD2 3.27Å; L86-H111 HydrophobicContact CD2-CB 3.8Å; E108-H111 PolarHBondContact O-N 2.77Å; E108-H111 VanDerWaalsContact O-N 3.12Å; L109-H111 PolarHBondContact O-N 3.03Å
112M95.9Very high89.6Confident17 Ų1758.8 Ų58.88%0.08431%0.306CS..EExtended strand (participates in β ladder)trans-135.4131.7-169.7-176177.273.100112.2Y21 S22 Y49 F51 I107 L109Y21-M112 WeakPolarHBondContact CB-SD 3.41Å; Y21-M112 HydrophobicContact CD1-CE 3.52Å; Y21-M112 HydrophobicContact CD1-CG 3.94Å; Y21-M112 HydrophobicContact CD1-SD 3.58Å; Y21-M112 VanDerWaalsContact CD1-SD 3.58Å; Y21-M112 HydrophobicContact CE1-CE 3.9Å; Y21-M112 HydrophobicContact CE1-SD 4.49Å; Y21-M112 HydrophobicContact CG-CE 4.14Å; Y21-M112 HydrophobicContact CG-CG 4.23Å; Y21-M112 HydrophobicContact CG-SD 3.65Å; S22-M112 CarbonylContact O-C 3.45Å; S22-M112 WeakPolarHBondContact O-CA 3.17Å; Y49-M112 HydrophobicContact CD2-CE 3.7Å; Y49-M112 HydrophobicContact CE2-CE 4.25Å; Y49-M112 HydrophobicContact CG-CE 4.37Å; F51-M112 HydrophobicContact CE2-CE 4.18Å; F51-M112 HydrophobicContact CE2-SD 4.02Å; F51-M112 HydrophobicContact CZ-CE 4.06Å; F51-M112 HydrophobicContact CZ-SD 3.95Å; I107-M112 HydrophobicContact CB-SD 4.16Å; I107-M112 HydrophobicContact CG2-CB 3.84Å; I107-M112 HydrophobicContact CG2-CG 4.28Å; I107-M112 HydrophobicContact CG2-SD 3.7Å; L109-M112 HydrophobicContact CD1-CE 4.07Å; L109-M112 HydrophobicContact CG-CE 4.46Å; L109-M112 PolarHBondContact O-N 2.78Å; L109-M112 VanDerWaalsContact O-O 3.13Å
113I95.3Very high89.1Confident44 Ų4458.6 Ų58.623%0.22631%0.307CS..EExtended strand (participates in β ladder)trans-104.5145.517055.2169.3000109.9Y21 S22 V24 R27Y21-I113 CarbonylContact C-O 3.38Å; Y21-I113 VanDerWaalsContact CA-O 3.3Å; Y21-I113 WeakPolarHBondContact CA-O 3.46Å; S22-I113 PolarHBondContact N-O 3.14Å; S22-I113 VanDerWaalsContact O-CG1 3.26Å; S22-I113 WeakPolarHBondContact O-CG1 3.27Å; S22-I113 PolarHBondContact O-N 3.27Å; V24-I113 HydrophobicContact CB-CG2 4.02Å; V24-I113 HydrophobicContact CG2-CG2 3.79Å; R27-I113 VanDerWaalsContact CD-CD1 3.42Å
114K92.4Very high88.6Confident88 Ų8860.4 Ų60.438%0.38331%0.306SS..EExtended strand (participates in β ladder)trans-101.4120173.5-174.1-174.1-180-134.20108.9Y21 N116Y21-K114 HydrophobicContact CD1-CB 3.99Å; Y21-K114 HydrophobicContact CD1-CG 4.12Å; Y21-K114 HydrophobicContact CE1-CB 3.83Å; Y21-K114 HydrophobicContact CE1-CD 4.02Å; Y21-K114 HydrophobicContact CE1-CG 3.68Å; K114-N116 VanDerWaalsContact CE-OD1 3.27Å; K114-N116 WeakPolarHBondContact CE-OD1 3.13Å; K114-N116 PolarHBondContact NZ-OD1 2.92Å
115D85.4Confident87.9Confident56 Ų5661.1 Ų61.130%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-94123.8168.1-175.9-3.3000108.4R19 R20 G117R19-D115 WeakPolarHBondContact CA-O 3.45Å; R20-D115 HydrophobicContact CG-CB 3.76Å; R20-D115 IonicContact CZ-OD2 3.83Å; R20-D115 VanDerWaalsContact CZ-OD2 3.24Å; R20-D115 PolarHBondContact N-O 2.97Å; R20-D115 VanDerWaalsContact N-O 3.11Å; R20-D115 IonicContact NE-OD2 3.33Å; R20-D115 PolarHBondContact NE-OD2 3.06Å; R20-D115 IonicContact NH2-OD2 3.24Å; R20-D115 PolarHBondContact NH2-OD2 3.43Å; R20-D115 PolarHBondContact O-N 3.3Å; D115-G117 VanDerWaalsContact C-N 3.32Å; D115-G117 PolarHBondContact OD1-N 3.48Å
116N78.8Confident87.1Confident58 Ų5863.5 Ų63.531%0.3133%0.326SS..  trans-85.2-5.8-177.9-68.6-39.9000113K114 W118K114-N116 VanDerWaalsContact CE-OD1 3.27Å; K114-N116 WeakPolarHBondContact CE-OD1 3.13Å; K114-N116 PolarHBondContact NZ-OD1 2.92Å; N116-W118 VanDerWaalsContact C-N 3.28Å; N116-W118 HydrophobicContact CB-CD2 4.2Å; N116-W118 HydrophobicContact CB-CG 4.1Å; N116-W118 VanDerWaalsContact O-CD1 3.25Å; N116-W118 PolarHBondContact O-N 3.46Å
117G67.2Low86.3Confident39 Ų3968.4 Ų68.440%0.40235%0.351SS..  trans63.434.8-179.200000112.7D115D115-G117 VanDerWaalsContact C-N 3.32Å; D115-G117 PolarHBondContact OD1-N 3.48Å
118W64.6Low85.3Confident218 Ų21874.1 Ų74.183%0.82638%0.381SS*.  trans-90.6104.2174.1-60.4-2.5000107N116N116-W118 VanDerWaalsContact C-N 3.28Å; N116-W118 HydrophobicContact CB-CD2 4.2Å; N116-W118 HydrophobicContact CB-CG 4.1Å; N116-W118 VanDerWaalsContact O-CD1 3.25Å; N116-W118 PolarHBondContact O-N 3.46Å
119D55Low84.1Confident241 Ų24180 Ų80100%1.28941%0.411SS*.  trans-760161.9-74.9-33.2000110.2

Retrieved 119 of 119 residues in 975.9 ms (Link to these results)

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