A0A093ICK4_STRCA Loading...

Transthyretin

Thyroid hormone-binding protein. Probably transports thyroxine from the bloodstream to the brain.

AlphaFold DB , UniProt , Accession A0A093ICK4, Species STRCA (Struthio camelus australis), Gene n/a, Length 150 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
1M38.2Very low44.3Very low254 Ų254165.9 Ų165.9100%1.25186%0.859SS**  01210-65.2-173.5-9600106.3
2A42.4Very low44.9Very low96 Ų96159.9 Ų159.979%0.79385%0.852SS**  cis-156.6152.23.300000107.2
3F43.9Very low45.1Very low202 Ų202153.2 Ų153.289%0.88685%0.845SS**  trans-64.4144.3173.8-87.5-110.9000111.9
4H44.8Very low45.8Very low188 Ų188152.7 Ų152.787%0.8784%0.839SS**  trans-135.691.2155.4-92.631.9000106.2
5S43.8Very low46.2Very low112 Ų112150.7 Ų150.778%0.78383%0.833SS**  68.691.881.4-160.60000113.3
6T49.4Very low46.3Very low131 Ų131152.4 Ų152.480%0.80483%0.829SS**  trans-64.4144.9166.8380000112.9
7L42.3Very low46.2Very low151 Ų151152.9 Ų152.979%0.79183%0.83SS**  trans-155.498.2149-156.272.3000111.2I9L7-I9 HydrophobicContact CD2-CD1 4.24Å; L7-I9 HydrophobicContact CD2-CG1 4.14Å; L7-I9 HydrophobicContact CG-CG1 4.21Å
8F47.2Very low46.4Very low196 Ų196150.8 Ų150.886%0.8683%0.828SS**  trans-91.4116.6162.7-100.9-90.1000107.5
9I47.7Very low46.7Very low136 Ų136152.8 Ų152.870%0.69783%0.831SS**  trans-90107.6176.1-62.3170.1000107.4L7L7-I9 HydrophobicContact CD2-CD1 4.24Å; L7-I9 HydrophobicContact CD2-CG1 4.14Å; L7-I9 HydrophobicContact CG-CG1 4.21Å
10F43.5Very low47Very low195 Ų195149.5 Ų149.586%0.85583%0.825SS**  trans-87.7113.1166.6-96.6-90.4000108.8A12F10-A12 PolarHBondContact O-N 2.91Å
11L44.1Very low47.2Very low164 Ų164146.4 Ų146.486%0.85982%0.82SS**  trans-89.996.5173.3-155.181.2000108.4G13L11-G13 PolarHBondContact O-N 2.94Å
12A50.9Low47.8Very low94 Ų94139.5 Ų139.578%0.77779%0.794SS**  trans-84107172.200000109.3F10 L14F10-A12 PolarHBondContact O-N 2.91Å; A12-L14 PolarHBondContact O-N 3.41Å
13G47.7Very low47.9Very low73 Ų73141.2 Ų141.275%0.75380%0.796SS**  trans-76.4112.2170.800000110.6L11 V15L11-G13 PolarHBondContact O-N 2.94Å; G13-V15 PolarHBondContact O-N 3.4Å
14L55Low48.3Very low146 Ų146136.3 Ų136.376%0.76478%0.783SS**  trans-76.5104.7166.7-94.8134.5000108.8A12 F16A12-L14 PolarHBondContact O-N 3.41Å; L14-F16 HydrophobicContact CB-CD2 4.47Å; L14-F16 HydrophobicContact CB-CE2 4.25Å; L14-F16 HydrophobicContact CD2-CE2 4.28Å; L14-F16 HydrophobicContact CD2-CZ 4.4Å; L14-F16 PolarHBondContact O-N 2.62Å
15V52.3Low48.5Very low123 Ų123130.6 Ų130.675%0.74576%0.764SS**  trans-82103.2167.2179.30000107.3G13 L17G13-V15 PolarHBondContact O-N 3.4Å; V15-L17 HydrophobicContact CG1-CG 4.37Å; V15-L17 PolarHBondContact O-N 3.28Å
16F46.9Very low48.8Very low177 Ų177129.8 Ų129.878%0.77675%0.748SS**  trans-76.4100.8165.7-79.7-85.7000108.2L14 S18L14-F16 HydrophobicContact CB-CD2 4.47Å; L14-F16 HydrophobicContact CB-CE2 4.25Å; L14-F16 HydrophobicContact CD2-CE2 4.28Å; L14-F16 HydrophobicContact CD2-CZ 4.4Å; L14-F16 PolarHBondContact O-N 2.62Å; F16-S18 PolarHBondContact O-N 2.82Å; F16-S18 VanDerWaalsContact O-N 3.12Å
17L45.8Very low48.8Very low162 Ų162126.1 Ų126.185%0.84874%0.737SS**  trans-70.6100.2163.2-81.4153000107.1V15 E19V15-L17 HydrophobicContact CG1-CG 4.37Å; V15-L17 PolarHBondContact O-N 3.28Å; L17-E19 PolarHBondContact O-N 2.88Å; L17-E19 VanDerWaalsContact O-N 3.12Å
18S48.8Very low49.2Very low114 Ų114121 Ų12180%0.79771%0.713SS**  trans-68.8101.9167.4-176.70000107.5F16 A20F16-S18 PolarHBondContact O-N 2.82Å; F16-S18 VanDerWaalsContact O-N 3.12Å; S18-A20 PolarHBondContact O-N 3.41Å
19E52.4Low49.4Very low190 Ų190114.9 Ų114.989%0.88869%0.692SS**  trans-68102.6170.2-166.4162.9163.200107.9L17 A21L17-E19 PolarHBondContact O-N 2.88Å; L17-E19 VanDerWaalsContact O-N 3.12Å; E19-A21 PolarHBondContact O-N 2.89Å
20A53.5Low49.8Very low85 Ų85112.7 Ų112.770%0.70268%0.681SS**PPolyproline II helixtrans-70.5121173.700000108.1S18S18-A20 PolarHBondContact O-N 3.41Å
21A50.1Low50.3Low86 Ų86105.6 Ų105.671%0.71166%0.656SS**PPolyproline II helixtrans-53.9144.9169.500000109.8E19E19-A21 PolarHBondContact O-N 2.89Å
22P50.4Low51.4Low109 Ų109106.2 Ų106.271%0.70865%0.652SS**PPolyproline II helixtrans-58.2146-178.322.9-32.1000110.8V24P22-V24 PolarHBondContact O-N 2.82Å; P22-V24 VanDerWaalsContact O-N 3.1Å
23P46Very low53Low131 Ų131102.2 Ų102.285%0.85162%0.618SS**  trans-63.6115.5177.826-31.8000109.1S25P23-S25 PolarHBondContact O-N 3.43Å
24V52.6Low55.1Low99 Ų9998.9 Ų98.960%0.658%0.583SS**  trans-67.6119.9168.2-179.20000106.6P22 H26P22-V24 PolarHBondContact O-N 2.82Å; P22-V24 VanDerWaalsContact O-N 3.1Å; V24-H26 PolarHBondContact O-CD2 2.67Å; V24-H26 VanDerWaalsContact O-CD2 3.26Å; V24-H26 PolarHBondContact O-N 3.14Å; V24-H26 PolarHBondContact O-NE2 3.39Å
25S48.1Very low57.1Low69 Ų6991.9 Ų91.948%0.48355%0.547SS..  trans-71.6102.7-178.4-178.70000109.6P23 G27 S28P23-S25 PolarHBondContact O-N 3.43Å; S25-G27 PolarHBondContact O-N 3.21Å; S25-S28 VanDerWaalsContact CB-OG 3.23Å; S25-S28 WeakPolarHBondContact CB-OG 3.38Å; S25-S28 VanDerWaalsContact OG-CB 3.23Å; S25-S28 WeakPolarHBondContact OG-CB 3.23Å; S25-S28 PolarHBondContact OG-OG 2.98Å
26H49.9Very low59.2Low94 Ų9487 Ų8744%0.43552%0.516SS..THydrogen-bonded Turntrans-78.2121.5179.6-59-60.3000110.6V24 S28 Y75V24-H26 PolarHBondContact O-CD2 2.67Å; V24-H26 VanDerWaalsContact O-CD2 3.26Å; V24-H26 PolarHBondContact O-N 3.14Å; V24-H26 PolarHBondContact O-NE2 3.39Å; H26-S28 VanDerWaalsContact C-N 3.34Å; H26-S28 PolarHBondContact O-N 2.85Å; H26-Y75 AromaticContact CE1-CD1 3.73Å; H26-Y75 AromaticContact CE1-CD2 3.45Å; H26-Y75 VanDerWaalsContact CE1-CD2 3.45Å; H26-Y75 WeakPolarHBondContact CE1-CD2 3.19Å; H26-Y75 AromaticContact CE1-CE1 3.4Å; H26-Y75 VanDerWaalsContact CE1-CE1 3.4Å; H26-Y75 WeakPolarHBondContact CE1-CE1 3.33Å; H26-Y75 AromaticContact CE1-CE2 3.13Å; H26-Y75 WeakPolarHBondContact CE1-CE2 3.19Å; H26-Y75 AromaticContact CE1-CG 3.74Å; H26-Y75 AromaticContact CE1-CZ 3.08Å; H26-Y75 AromaticContact ND1-CD1 3.67Å; H26-Y75 AromaticContact ND1-CD2 3.74Å; H26-Y75 AromaticContact ND1-CE1 3.79Å; H26-Y75 AromaticContact ND1-CE2 3.88Å; H26-Y75 AromaticContact ND1-CG 3.63Å; H26-Y75 AromaticContact ND1-CZ 3.89Å; H26-Y75 AromaticContact NE2-CE1 3.55Å; H26-Y75 AromaticContact NE2-CE2 3.85Å; H26-Y75 AromaticContact NE2-CZ 3.33Å; H26-Y75 VanDerWaalsContact NE2-CZ 3.33Å; H26-Y75 PolarHBondContact NE2-OH 3.27Å
27G49Very low61.6Low55 Ų5578.6 Ų78.657%0.56748%0.479SS*.THydrogen-bonded Turntrans78.76.8175.500000115.9S25S25-G27 PolarHBondContact O-N 3.21Å
28S50.7Low64.1Low42 Ų4273.9 Ų73.929%0.29445%0.451SS..  trans-76.9135.8160.460.70000109.1S25 H26 D30S25-S28 VanDerWaalsContact CB-OG 3.23Å; S25-S28 WeakPolarHBondContact CB-OG 3.38Å; S25-S28 VanDerWaalsContact OG-CB 3.23Å; S25-S28 WeakPolarHBondContact OG-CB 3.23Å; S25-S28 PolarHBondContact OG-OG 2.98Å; H26-S28 VanDerWaalsContact C-N 3.34Å; H26-S28 PolarHBondContact O-N 2.85Å; S28-D30 VanDerWaalsContact C-N 3.34Å; S28-D30 PolarHBondContact O-N 3.49Å
29V52.4Low66.5Low69 Ų6968.4 Ų68.442%0.41841%0.414SS..  trans-61.6102.9163.1-176.80000105.7S31V29-S31 PolarHBondContact O-N 3.31Å; V29-S31 VanDerWaalsContact O-N 3.09Å
30D55Low68.7Low89 Ų8962.7 Ų62.748%0.47639%0.388SS..  trans-64.8110.5167.8-114-28.5000105.9S28 K32 C33S28-D30 VanDerWaalsContact C-N 3.34Å; S28-D30 PolarHBondContact O-N 3.49Å; D30-K32 PolarHBondContact O-N 2.99Å; D30-C33 HydrophobicContact CB-CB 4.36Å; D30-C33 PolarHBondContact O-N 3.44Å
31S55Low70.9Confident47 Ų4758.7 Ų58.733%0.32936%0.355SS..THydrogen-bonded Turntrans-61.911.4-174.3-53.20000114.5V29 H127V29-S31 PolarHBondContact O-N 3.31Å; V29-S31 VanDerWaalsContact O-N 3.09Å; S31-H127 VanDerWaalsContact C-CE1 3.49Å; S31-H127 PolarHBondContact O-CE1 2.89Å
32K66.9Low73.2Confident177 Ų17757 Ų5777%0.7734%0.341SS*.THydrogen-bonded Turntrans-121.5-3.8177.9-62.6-175.8179.9-179.90113.6D30 P34D30-K32 PolarHBondContact O-N 2.99Å; K32-P34 WeakPolarHBondContact O-CD 3.35Å
33C83.6Confident75.5Confident9 Ų955.8 Ų55.86%0.06133%0.331CS..  trans-10492.1-175.4-1790000110.2D30 L35 E80D30-C33 HydrophobicContact CB-CB 4.36Å; D30-C33 PolarHBondContact O-N 3.44Å; C33-L35 PolarHBondContact O-N 3.49Å; C33-L35 PolarHBondContact SG-O 3.41Å; C33-L35 VanDerWaalsContact SG-O 3.33Å; C33-E80 PolarHBondContact SG-N 3.17Å
34P93.1Very high77.9Confident3 Ų355.3 Ų55.32%0.01931%0.313CS..SBendtrans-69.9-18.2-17430.6-39.6000113.8K32 T82 E84 F87 Y128K32-P34 WeakPolarHBondContact O-CD 3.35Å; P34-T82 HydrophobicContact CG-CG2 3.95Å; P34-E84 HydrophobicContact CB-CG 4.21Å; P34-E84 HydrophobicContact CG-CG 4.12Å; P34-F87 HydrophobicContact CB-CB 4.46Å; P34-F87 HydrophobicContact CB-CD1 3.89Å; P34-F87 HydrophobicContact CG-CB 4.19Å; P34-F87 HydrophobicContact CG-CD1 4.42Å; P34-Y128 PolarHBondContact O-N 2.98Å
35L96.3Very high80.1Confident0 Ų054 Ų540%032%0.32CS..EExtended strand (participates in β ladder)trans-138.7111.8173.6-179.563000110.6C33 V55 L81 T82 F87 V94 F118 Y128 I130C33-L35 PolarHBondContact O-N 3.49Å; C33-L35 PolarHBondContact SG-O 3.41Å; C33-L35 VanDerWaalsContact SG-O 3.33Å; L35-V55 HydrophobicContact CD2-CG1 4.03Å; L35-V55 HydrophobicContact CD2-CG2 4.27Å; L35-L81 HydrophobicContact CD2-CD1 4.39Å; L35-L81 HydrophobicContact CG-CD1 4.24Å; L35-T82 HydrophobicContact CB-CG2 3.93Å; L35-F87 HydrophobicContact CB-CZ 4.39Å; L35-F87 HydrophobicContact CD2-CE2 4.16Å; L35-V94 HydrophobicContact CD2-CG2 4.47Å; L35-F118 HydrophobicContact CD1-CZ 4.05Å; L35-Y128 WeakPolarHBondContact CA-O 3.32Å; L35-I130 HydrophobicContact CD1-CG1 3.99Å
36M96.4Very high82.5Confident21 Ų2152.7 Ų52.710%0.10331%0.31CS..EExtended strand (participates in β ladder)trans-116.1149.2173.3-177-90.3-83.800109.7K38 I78 Y128 T129 I130M36-K38 HydrophobicContact SD-CB 4.07Å; M36-I78 WeakPolarHBondContact CG-O 3.28Å; M36-Y128 PolarHBondContact N-O 3.36Å; M36-T129 HydrophobicContact CE-CG2 3.39Å; M36-T129 VanDerWaalsContact CE-OG1 3.31Å; M36-T129 WeakPolarHBondContact CE-OG1 3.38Å; M36-T129 WeakPolarHBondContact O-CA 3.4Å; M36-T129 HydrophobicContact SD-CG2 3.73Å; M36-I130 PolarHBondContact O-N 3.44Å
37V98.1Very high84.8Confident0 Ų050.5 Ų50.50%030%0.304CS..EExtended strand (participates in β ladder)trans-121.3145.2169.9-56.70000110.9V53 E77 I78 L81 V94 F96 I130V37-V53 HydrophobicContact CG2-CG2 4.35Å; V37-E77 VanDerWaalsContact O-CA 3.26Å; V37-E77 WeakPolarHBondContact O-CA 3.47Å; V37-I78 HydrophobicContact CG2-CB 3.69Å; V37-I78 HydrophobicContact CG2-CD1 3.73Å; V37-I78 HydrophobicContact CG2-CG1 3.61Å; V37-I78 PolarHBondContact N-O 3.13Å; V37-I78 PolarHBondContact O-N 2.84Å; V37-L81 HydrophobicContact CG1-CD1 3.78Å; V37-L81 HydrophobicContact CG2-CD1 4.27Å; V37-V94 HydrophobicContact CG1-CG1 3.98Å; V37-F96 HydrophobicContact CB-CE1 3.95Å; V37-F96 HydrophobicContact CB-CZ 4.21Å; V37-F96 HydrophobicContact CG1-CE1 4.18Å; V37-F96 HydrophobicContact CG1-CZ 4.12Å; V37-F96 HydrophobicContact CG2-CE1 4.29Å; V37-I130 CarbonylContact C-O 3.59Å; V37-I130 VanDerWaalsContact CA-O 3.27Å; V37-I130 WeakPolarHBondContact CA-O 3.4Å; V37-I130 HydrophobicContact CG1-CB 4.31Å
38K98.4Very high87.2Confident62 Ų6247.9 Ų47.927%0.2728%0.277SS..EExtended strand (participates in β ladder)trans-132.6126.8174.9-173.3161.3-172.3143.30110.9M36 G76 E77 I130 A131 A132M36-K38 HydrophobicContact SD-CB 4.07Å; K38-G76 CarbonylContact C-O 3.52Å; K38-G76 WeakPolarHBondContact CA-O 3.23Å; K38-E77 HydrophobicContact CB-CG 4.37Å; K38-E77 HydrophobicContact CD-CG 4.16Å; K38-E77 WeakPolarHBondContact CE-OE1 3.43Å; K38-E77 HydrophobicContact CG-CG 4.06Å; K38-E77 IonicContact NZ-OE1 2.79Å; K38-E77 PolarHBondContact NZ-OE1 3Å; K38-I130 PolarHBondContact N-O 2.9Å; K38-A131 CarbonylContact O-C 3.38Å; K38-A131 WeakPolarHBondContact O-CA 3.34Å; K38-A132 PolarHBondContact O-N 2.67Å
39V98.8Very high89.5Confident0 Ų047.3 Ų47.30%028%0.275CS..EExtended strand (participates in β ladder)trans-125.6127.5-175-164.50000110A48 V51 T72 G76 F96 A132 L134V39-A48 HydrophobicContact CB-CB 4.03Å; V39-A48 HydrophobicContact CG1-CB 3.65Å; V39-A48 PolarHBondContact O-N 2.98Å; V39-V51 HydrophobicContact CG1-CG2 4.36Å; V39-T72 HydrophobicContact CB-CG2 4.2Å; V39-T72 HydrophobicContact CG2-CG2 3.7Å; V39-G76 PolarHBondContact N-O 2.84Å; V39-F96 HydrophobicContact CG2-CD1 3.71Å; V39-F96 HydrophobicContact CG2-CE1 3.58Å; V39-A132 CarbonylContact C-O 3.51Å; V39-A132 WeakPolarHBondContact CA-O 3.46Å; V39-A132 HydrophobicContact CG1-CB 4.31Å; V39-L134 HydrophobicContact CG1-CD1 3.47Å; V39-L134 VanDerWaalsContact CG1-CD1 3.47Å; V39-L134 HydrophobicContact CG1-CD2 4.41Å; V39-L134 HydrophobicContact CG1-CG 3.74Å
40L98.9Very high91.7Very high69 Ų6949.9 Ų49.936%0.36129%0.287SS..EExtended strand (participates in β ladder)trans-119147.6179.3-61.6179.7000110.5P47 A132 L133 L134L40-P47 HydrophobicContact CD2-CB 4.36Å; L40-P47 HydrophobicContact CD2-CG 4.46Å; L40-A132 PolarHBondContact N-O 2.76Å; L40-L133 HydrophobicContact CB-CD1 3.62Å; L40-L134 PolarHBondContact O-N 3.29Å
41D98.8Very high93.7Very high2 Ų245.7 Ų45.71%0.01126%0.264CS..EExtended strand (participates in β ladder)trans-104.6112176-176.4-36.1000109.6V43 R44 G45 S46 A48 Y101 W102D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 WeakPolarHBondContact OD1-CA 3.41Å; D41-V43 WeakPolarHBondContact OD1-CB 3.14Å; D41-V43 PolarHBondContact OD1-N 2.79Å; D41-R44 HydrophobicContact CB-CB 4.49Å; D41-R44 PolarHBondContact OD1-N 2.81Å; D41-R44 IonicContact OD2-CZ 3.55Å; D41-R44 IonicContact OD2-NE 3.8Å; D41-R44 PolarHBondContact OD2-NE 2.88Å; D41-R44 IonicContact OD2-NH2 3.53Å; D41-G45 WeakPolarHBondContact O-CA 3.48Å; D41-G45 PolarHBondContact O-N 2.68Å; D41-S46 WeakPolarHBondContact CB-O 3.11Å; D41-S46 PolarHBondContact N-O 3.43Å; D41-S46 PolarHBondContact O-N 3.49Å; D41-A48 HydrophobicContact CB-CB 4.33Å; D41-Y101 WeakPolarHBondContact CB-OH 3.41Å; D41-Y101 PolarHBondContact OD2-OH 3.44Å; D41-W102 WeakPolarHBondContact OD1-CH2 3.26Å; D41-W102 WeakPolarHBondContact OD2-CH2 3.46Å; D41-W102 WeakPolarHBondContact OD2-CZ3 3.47Å
42A98.7Very high95.8Very high49 Ų4944.9 Ų44.941%0.40526%0.26SS..THydrogen-bonded Turntrans-75.6-19.6-179.100000113.6L133 L134A42-L133 HydrophobicContact CB-CD1 3.8Å; A42-L133 HydrophobicContact CB-CD2 4.44Å; A42-L133 HydrophobicContact CB-CG 4.02Å; A42-L134 WeakPolarHBondContact CB-O 3.4Å; A42-L134 PolarHBondContact N-O 3.26Å
43V98.4Very high97.4Very high84 Ų8436.5 Ų36.551%0.50922%0.224SC..THydrogen-bonded Turntrans-77.5-44.1178.4179.60000110.2D41 W102 P136D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 WeakPolarHBondContact OD1-CA 3.41Å; D41-V43 WeakPolarHBondContact OD1-CB 3.14Å; D41-V43 PolarHBondContact OD1-N 2.79Å; V43-W102 HydrophobicContact CB-CH2 4.32Å; V43-W102 HydrophobicContact CB-CZ3 4.5Å; V43-W102 HydrophobicContact CG2-CH2 3.94Å; V43-W102 HydrophobicContact CG2-CZ3 4.33Å; V43-P136 VanDerWaalsContact CG2-CD 3.5Å; V43-P136 HydrophobicContact CG2-CG 4.23Å
44R97.9Very high98.1Very high122 Ų12241 Ų4146%0.4624%0.242SC..THydrogen-bonded Turntrans-92.5-14.1-177.7-60.1-173.2-62.7154.611.3113.3D41 S46 Y101D41-R44 HydrophobicContact CB-CB 4.49Å; D41-R44 PolarHBondContact OD1-N 2.81Å; D41-R44 IonicContact OD2-CZ 3.55Å; D41-R44 IonicContact OD2-NE 3.8Å; D41-R44 PolarHBondContact OD2-NE 2.88Å; D41-R44 IonicContact OD2-NH2 3.53Å; R44-S46 VanDerWaalsContact C-N 3.32Å; R44-Y101 PolarHBondContact NH2-OH 2.83Å
45G98.2Very high98.3Very high72 Ų7240.8 Ų40.874%0.74224%0.241SC*.THydrogen-bonded Turntrans66.534.3-177.400000112.6D41D41-G45 WeakPolarHBondContact O-CA 3.48Å; D41-G45 PolarHBondContact O-N 2.68Å
46S98.3Very high98.5Very high40 Ų4041.6 Ų41.628%0.2825%0.245SC..EExtended strand (participates in β ladder)trans-137.1168.2-173.672.30000111.3D41 R44D41-S46 WeakPolarHBondContact CB-O 3.11Å; D41-S46 PolarHBondContact N-O 3.43Å; D41-S46 PolarHBondContact O-N 3.49Å; R44-S46 VanDerWaalsContact C-N 3.32Å
47P98.8Very high98.6Very high49 Ų4943.3 Ų43.332%0.31825%0.252SS..EExtended strand (participates in β ladder)trans-59.1147.7164.6-19.832.3000112.2L40 A49 Y75L40-P47 HydrophobicContact CD2-CB 4.36Å; L40-P47 HydrophobicContact CD2-CG 4.46Å; P47-A49 PolarHBondContact O-N 2.85Å; P47-Y75 WeakPolarHBondContact CB-O 3.33Å
48A98.7Very high98.6Very high0 Ų047.8 Ų47.80%027%0.271CS..  trans-93.292.2175.800000109.2V39 D41 V51 T72 Y101V39-A48 HydrophobicContact CB-CB 4.03Å; V39-A48 HydrophobicContact CG1-CB 3.65Å; V39-A48 PolarHBondContact O-N 2.98Å; D41-A48 HydrophobicContact CB-CB 4.33Å; A48-V51 HydrophobicContact CB-CG2 3.81Å; A48-V51 WeakPolarHBondContact O-CG2 3.38Å; A48-T72 WeakPolarHBondContact O-CB 3.45Å; A48-T72 PolarHBondContact O-OG1 2.89Å; A48-Y101 HydrophobicContact CB-CE1 4.34Å; A48-Y101 HydrophobicContact CB-CE2 3.88Å
49A98.5Very high98.6Very high30 Ų3046 Ų4625%0.24827%0.268CS..THydrogen-bonded Turntrans-77.5155179.300000112.9P47 V51 T73P47-A49 PolarHBondContact O-N 2.85Å; A49-V51 PolarHBondContact O-N 2.84Å; A49-T73 VanDerWaalsContact CA-O 3.29Å; A49-T73 WeakPolarHBondContact CA-O 3.25Å; A49-T73 WeakPolarHBondContact CB-O 3.33Å
50N98.4Very high98.4Very high123 Ų12351.6 Ų51.666%0.65831%0.314SS*.THydrogen-bonded Turntrans58.821.4177.1-66-49.5000115.6A52 T72N50-A52 PolarHBondContact O-N 2.92Å; N50-T72 WeakPolarHBondContact CA-O 3.26Å; N50-T72 PolarHBondContact N-O 2.89Å; N50-T72 PolarHBondContact N-OG1 3.4Å; N50-T72 VanDerWaalsContact N-OG1 3.12Å
51V98.8Very high98.4Very high0 Ų054.4 Ų54.40%033%0.329CS..  trans-71.5121.4171-179.50000108V39 A48 A49 K71 T72 F96 Y101V39-V51 HydrophobicContact CG1-CG2 4.36Å; A48-V51 HydrophobicContact CB-CG2 3.81Å; A48-V51 WeakPolarHBondContact O-CG2 3.38Å; A49-V51 PolarHBondContact O-N 2.84Å; V51-K71 VanDerWaalsContact O-CA 3.28Å; V51-K71 WeakPolarHBondContact O-CA 3.3Å; V51-T72 HydrophobicContact CB-CG2 4.1Å; V51-T72 WeakPolarHBondContact CB-OG1 3.35Å; V51-T72 PolarHBondContact N-OG1 2.99Å; V51-T72 PolarHBondContact O-N 2.77Å; V51-F96 HydrophobicContact CG1-CB 4.28Å; V51-Y101 HydrophobicContact CG2-CD2 3.44Å; V51-Y101 VanDerWaalsContact CG2-CD2 3.44Å; V51-Y101 HydrophobicContact CG2-CE2 3.87Å; V51-Y101 HydrophobicContact CG2-CG 3.83Å
52A98.8Very high98.3Very high30 Ų3056 Ų5625%0.24835%0.346CS..EExtended strand (participates in β ladder)trans-72.6136.7174.700000110.5N50 K71 D97N50-A52 PolarHBondContact O-N 2.92Å; A52-K71 HydrophobicContact CB-CG 4.33Å; A52-D97 HydrophobicContact CB-CB 4.01Å; A52-D97 PolarHBondContact O-N 2.65Å
53V98.8Very high98.3Very high2 Ų255.9 Ų55.91%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-128.2134.4-179.4-179.90000109.2V37 V69 G70 I78 V94 E95 F96V37-V53 HydrophobicContact CG2-CG2 4.35Å; V53-V69 CarbonylContact O-C 3.55Å; V53-V69 WeakPolarHBondContact O-CA 3.17Å; V53-G70 PolarHBondContact N-O 2.75Å; V53-G70 PolarHBondContact O-N 3.09Å; V53-I78 HydrophobicContact CB-CD1 3.68Å; V53-I78 HydrophobicContact CG1-CD1 4.45Å; V53-I78 HydrophobicContact CG2-CD1 3.62Å; V53-V94 HydrophobicContact CG1-CG1 3.66Å; V53-E95 CarbonylContact C-O 3.59Å; V53-E95 VanDerWaalsContact CA-O 3.27Å; V53-E95 WeakPolarHBondContact CA-O 3.48Å; V53-F96 HydrophobicContact CG1-CE1 4.48Å; V53-F96 HydrophobicContact CG2-CD1 3.57Å; V53-F96 HydrophobicContact CG2-CE1 3.94Å; V53-F96 HydrophobicContact CG2-CG 4.48Å
54K98.8Very high98.3Very high102 Ų10255.8 Ų55.844%0.44333%0.333SS..EExtended strand (participates in β ladder)trans-120.2137.1170.5-61.9-179.7-176.5169.90109.2F56 V69 E95K54-F56 HydrophobicContact CB-CE2 3.72Å; K54-F56 HydrophobicContact CB-CZ 3.87Å; K54-F56 HydrophobicContact CD-CZ 4Å; K54-V69 HydrophobicContact CG-CG1 4.16Å; K54-E95 PolarHBondContact N-O 3.12Å; K54-E95 PolarHBondContact O-N 3.28Å
55V98.8Very high98.3Very high0 Ų055.3 Ų55.30%034%0.336CS..EExtended strand (participates in β ladder)trans-112.5134.5173.5-169.40000107.7L35 F67 A68 L81 Y92 R93 V94L35-V55 HydrophobicContact CD2-CG1 4.03Å; L35-V55 HydrophobicContact CD2-CG2 4.27Å; V55-F67 HydrophobicContact CB-CB 4.45Å; V55-F67 HydrophobicContact CB-CD1 4.11Å; V55-F67 HydrophobicContact CG1-CB 4.35Å; V55-F67 HydrophobicContact CG1-CD1 3.7Å; V55-F67 HydrophobicContact CG1-CG 4.43Å; V55-F67 WeakPolarHBondContact O-CA 3.42Å; V55-F67 WeakPolarHBondContact O-CB 3.17Å; V55-F67 PolarHBondContact O-N 2.99Å; V55-A68 HydrophobicContact CB-CB 4.05Å; V55-A68 HydrophobicContact CG2-CB 4.17Å; V55-A68 PolarHBondContact N-O 2.79Å; V55-A68 PolarHBondContact O-N 2.87Å; V55-A68 VanDerWaalsContact O-N 3.14Å; V55-L81 HydrophobicContact CG2-CD1 4.21Å; V55-L81 HydrophobicContact CG2-CD2 4.32Å; V55-Y92 HydrophobicContact CG1-CD1 4.44Å; V55-R93 CarbonylContact C-O 3.53Å; V55-R93 VanDerWaalsContact CA-O 3.31Å; V55-R93 WeakPolarHBondContact CA-O 3.26Å; V55-V94 HydrophobicContact CG1-CG2 4.31Å; V55-V94 HydrophobicContact CG2-CG2 4.27Å
56F98.8Very high98.3Very high17 Ų1758.4 Ų58.48%0.07534%0.335CS..EExtended strand (participates in β ladder)trans-122.3149175.9-52.7-93.1000110K54 W64 Q65 D66 Y92 R93 E95K54-F56 HydrophobicContact CB-CE2 3.72Å; K54-F56 HydrophobicContact CB-CZ 3.87Å; K54-F56 HydrophobicContact CD-CZ 4Å; F56-W64 HydrophobicContact CB-CB 4.14Å; F56-W64 HydrophobicContact CB-CD2 4.41Å; F56-W64 HydrophobicContact CB-CE3 3.83Å; F56-W64 HydrophobicContact CD1-CB 4.33Å; F56-W64 HydrophobicContact CG-CB 4.41Å; F56-Q65 CarbonylContact C-O 3.49Å; F56-Q65 WeakPolarHBondContact CA-O 3.36Å; F56-Q65 WeakPolarHBondContact CB-O 3.43Å; F56-D66 WeakPolarHBondContact CD1-OD1 3.24Å; F56-D66 WeakPolarHBondContact CE1-OD1 3.05Å; F56-Y92 CarbonylContact O-C 3.57Å; F56-Y92 VanDerWaalsContact O-CA 3.26Å; F56-Y92 WeakPolarHBondContact O-CA 3.12Å; F56-R93 HydrophobicContact CB-CB 4.35Å; F56-R93 HydrophobicContact CD2-CB 4.38Å; F56-R93 HydrophobicContact CD2-CG 4.44Å; F56-R93 PolarHBondContact N-O 2.93Å; F56-R93 PolarHBondContact O-N 3.25Å; F56-E95 HydrophobicContact CE2-CB 3.98Å
57K98.6Very high98.3Very high57 Ų5759.2 Ų59.225%0.24833%0.334CS..EExtended strand (participates in β ladder)trans-109.9137167.9-172.3177.5-178177.90109.6Q65 F67 Y92K57-Q65 PolarHBondContact N-O 2.76Å; K57-Q65 PolarHBondContact O-N 3.22Å; K57-F67 HydrophobicContact CB-CB 4.34Å; K57-F67 HydrophobicContact CB-CD2 4.21Å; K57-Y92 HydrophobicContact CB-CD1 4.05Å; K57-Y92 HydrophobicContact CB-CE1 3.86Å; K57-Y92 HydrophobicContact CD-CE1 3.88Å; K57-Y92 HydrophobicContact CG-CD1 4.21Å; K57-Y92 HydrophobicContact CG-CE1 3.77Å
58K98.6Very high98.3Very high94 Ų9457.7 Ų57.741%0.40933%0.326SS..EExtended strand (participates in β ladder)trans-76.1124.2175.5-156.7174.4-173.7177.60109.9G62 S63 W64 V91K58-G62 WeakPolarHBondContact CE-O 3.44Å; K58-S63 CarbonylContact C-O 3.59Å; K58-S63 WeakPolarHBondContact CA-O 3.45Å; K58-W64 HydrophobicContact CB-CE3 3.95Å; K58-W64 HydrophobicContact CB-CH2 4.06Å; K58-W64 HydrophobicContact CB-CZ3 3.61Å; K58-W64 HydrophobicContact CD-CH2 4.21Å; K58-W64 HydrophobicContact CD-CZ2 4.37Å; K58-W64 HydrophobicContact CG-CE3 4.37Å; K58-W64 HydrophobicContact CG-CH2 4.33Å; K58-W64 HydrophobicContact CG-CZ3 4.22Å; K58-V91 HydrophobicContact CB-CB 3.91Å; K58-V91 HydrophobicContact CB-CG1 4.47Å; K58-V91 WeakPolarHBondContact CB-O 3.31Å; K58-V91 HydrophobicContact CD-CB 4.27Å; K58-V91 HydrophobicContact CD-CG1 4.38Å; K58-V91 PolarHBondContact N-O 2.83Å
59A97.9Very high98.2Very high24 Ų2463 Ų6320%0.19836%0.358CS..  trans-80.5168.5175.100000111.9D61 G62 S63 Q65A59-D61 WeakPolarHBondContact CB-OD1 3.3Å; A59-D61 PolarHBondContact O-N 3.15Å; A59-G62 WeakPolarHBondContact O-CA 3.26Å; A59-G62 PolarHBondContact O-N 3.01Å; A59-S63 PolarHBondContact N-O 3.06Å; A59-Q65 HydrophobicContact CB-CG 4.06Å
60A96.1Very high98.2Very high117 Ų11762.6 Ų62.697%0.96736%0.357SS*.THydrogen-bonded Turntrans-62.7-28.4-17900000113.5G62A60-G62 PolarHBondContact O-N 3.41Å
61D97.3Very high98.2Very high128 Ų12863.2 Ų63.268%0.68435%0.354SS*.THydrogen-bonded Turntrans-79.90.7174.467.1-1000113.3A59 S63A59-D61 WeakPolarHBondContact CB-OD1 3.3Å; A59-D61 PolarHBondContact O-N 3.15Å; D61-S63 VanDerWaalsContact C-N 3.32Å; D61-S63 VanDerWaalsContact OD1-CB 3.23Å; D61-S63 WeakPolarHBondContact OD1-CB 3.38Å; D61-S63 PolarHBondContact OD1-N 3.32Å; D61-S63 PolarHBondContact OD1-OG 2.88Å; D61-S63 PolarHBondContact OD2-OG 3.44Å
62G96.9Very high98.2Very high35 Ų3563.3 Ų63.336%0.36135%0.354SS..SBendtrans84.9-3.1-179.200000114.8K58 A59 A60K58-G62 WeakPolarHBondContact CE-O 3.44Å; A59-G62 WeakPolarHBondContact O-CA 3.26Å; A59-G62 PolarHBondContact O-N 3.01Å; A60-G62 PolarHBondContact O-N 3.41Å
63S98.2Very high98.2Very high47 Ų4764.9 Ų64.933%0.32936%0.361SS..  trans-71.7156.7175.869.60000112.2K58 A59 D61K58-S63 CarbonylContact C-O 3.59Å; K58-S63 WeakPolarHBondContact CA-O 3.45Å; A59-S63 PolarHBondContact N-O 3.06Å; D61-S63 VanDerWaalsContact C-N 3.32Å; D61-S63 VanDerWaalsContact OD1-CB 3.23Å; D61-S63 WeakPolarHBondContact OD1-CB 3.38Å; D61-S63 PolarHBondContact OD1-N 3.32Å; D61-S63 PolarHBondContact OD1-OG 2.88Å; D61-S63 PolarHBondContact OD2-OG 3.44Å
64W98.6Very high98.1Very high82 Ų8271.7 Ų71.731%0.31139%0.392SS..EExtended strand (participates in β ladder)trans-93.9124.7172.9-67.8110.6000109.6F56 K58 V91 R93 V117F56-W64 HydrophobicContact CB-CB 4.14Å; F56-W64 HydrophobicContact CB-CD2 4.41Å; F56-W64 HydrophobicContact CB-CE3 3.83Å; F56-W64 HydrophobicContact CD1-CB 4.33Å; F56-W64 HydrophobicContact CG-CB 4.41Å; K58-W64 HydrophobicContact CB-CE3 3.95Å; K58-W64 HydrophobicContact CB-CH2 4.06Å; K58-W64 HydrophobicContact CB-CZ3 3.61Å; K58-W64 HydrophobicContact CD-CH2 4.21Å; K58-W64 HydrophobicContact CD-CZ2 4.37Å; K58-W64 HydrophobicContact CG-CE3 4.37Å; K58-W64 HydrophobicContact CG-CH2 4.33Å; K58-W64 HydrophobicContact CG-CZ3 4.22Å; W64-V91 HydrophobicContact CH2-CG1 3.95Å; W64-V91 HydrophobicContact CZ3-CG1 4.48Å; W64-R93 HydrophobicContact CD2-CB 4.45Å; W64-R93 HydrophobicContact CE3-CB 4.01Å; W64-R93 HydrophobicContact CH2-CB 3.79Å; W64-R93 HydrophobicContact CZ2-CB 4.24Å; W64-R93 HydrophobicContact CZ3-CB 3.65Å; W64-V117 HydrophobicContact CH2-CG1 3.79Å; W64-V117 HydrophobicContact CH2-CG2 4.48Å; W64-V117 HydrophobicContact CZ2-CG1 4.2Å; W64-V117 HydrophobicContact CZ2-CG2 4.41Å
65Q98.4Very high98.1Very high113 Ų11371.3 Ų71.353%0.52839%0.389SS..EExtended strand (participates in β ladder)trans-107.2139.7175-65.1-176.3-5.400110F56 K57 A59 F67F56-Q65 CarbonylContact C-O 3.49Å; F56-Q65 WeakPolarHBondContact CA-O 3.36Å; F56-Q65 WeakPolarHBondContact CB-O 3.43Å; K57-Q65 PolarHBondContact N-O 2.76Å; K57-Q65 PolarHBondContact O-N 3.22Å; A59-Q65 HydrophobicContact CB-CG 4.06Å; Q65-F67 PolarHBondContact O-N 2.96Å
66D98.3Very high98Very high136 Ų13671.3 Ų71.373%0.72739%0.389SS*.EExtended strand (participates in β ladder)trans-57133.3173.7-69.5-25.8000110F56F56-D66 WeakPolarHBondContact CD1-OD1 3.24Å; F56-D66 WeakPolarHBondContact CE1-OD1 3.05Å
67F98.3Very high98Very high57 Ų5770.7 Ų70.725%0.2539%0.386CS..EExtended strand (participates in β ladder)trans-121.9-51.2-178-179.3-100000111.6V55 K57 Q65 T82 Q86 F87 Y92V55-F67 HydrophobicContact CB-CB 4.45Å; V55-F67 HydrophobicContact CB-CD1 4.11Å; V55-F67 HydrophobicContact CG1-CB 4.35Å; V55-F67 HydrophobicContact CG1-CD1 3.7Å; V55-F67 HydrophobicContact CG1-CG 4.43Å; V55-F67 WeakPolarHBondContact O-CA 3.42Å; V55-F67 WeakPolarHBondContact O-CB 3.17Å; V55-F67 PolarHBondContact O-N 2.99Å; K57-F67 HydrophobicContact CB-CB 4.34Å; K57-F67 HydrophobicContact CB-CD2 4.21Å; Q65-F67 PolarHBondContact O-N 2.96Å; F67-T82 HydrophobicContact CE1-CG2 3.95Å; F67-T82 HydrophobicContact CZ-CG2 4.31Å; F67-T82 VanDerWaalsContact CZ-OG1 3.25Å; F67-T82 WeakPolarHBondContact CZ-OG1 3.11Å; F67-Q86 HydrophobicContact CZ-CB 4.37Å; F67-F87 HydrophobicContact CE1-CD2 4.07Å; F67-F87 HydrophobicContact CZ-CB 4.5Å; F67-F87 HydrophobicContact CZ-CD2 4.01Å; F67-Y92 HydrophobicContact CD1-CD1 4.39Å; F67-Y92 HydrophobicContact CD1-CE1 4.23Å; F67-Y92 HydrophobicContact CD2-CE1 4.05Å; F67-Y92 HydrophobicContact CE1-CE1 4.07Å; F67-Y92 AromaticContact CE2-CE1 3.9Å; F67-Y92 HydrophobicContact CE2-CE1 3.9Å; F67-Y92 HydrophobicContact CG-CD1 4.5Å; F67-Y92 HydrophobicContact CG-CE1 4.21Å; F67-Y92 AromaticContact CZ-CE1 3.91Å; F67-Y92 HydrophobicContact CZ-CE1 3.91Å
68A98.1Very high97.9Very high17 Ų1768.8 Ų68.814%0.1438%0.378CS..EExtended strand (participates in β ladder)trans-152.2160.6177.400000111.4V55 L81V55-A68 HydrophobicContact CB-CB 4.05Å; V55-A68 HydrophobicContact CG2-CB 4.17Å; V55-A68 PolarHBondContact N-O 2.79Å; V55-A68 PolarHBondContact O-N 2.87Å; V55-A68 VanDerWaalsContact O-N 3.14Å; A68-L81 HydrophobicContact CB-CD2 4.42Å; A68-L81 WeakPolarHBondContact CB-O 3.36Å
69V98.3Very high97.7Very high111 Ų11166.8 Ų66.867%0.67337%0.37SS*.EExtended strand (participates in β ladder)trans-139.2151.5174.4-610000110.1V53 K54V53-V69 CarbonylContact O-C 3.55Å; V53-V69 WeakPolarHBondContact O-CA 3.17Å; K54-V69 HydrophobicContact CG-CG1 4.16Å
70G97.7Very high97.1Very high22 Ų2273 Ų7323%0.22740%0.396CS..EExtended strand (participates in β ladder)trans-166.4179.2176.400000113.1V53V53-G70 PolarHBondContact N-O 2.75Å; V53-G70 PolarHBondContact O-N 3.09Å
71K98.4Very high96.9Very high137 Ų13768.3 Ų68.360%0.59635%0.354SS*.EExtended strand (participates in β ladder)trans-133.8137.7170.3-72.2-174.7177.1-175.50109.8V51 A52 T73 I78V51-K71 VanDerWaalsContact O-CA 3.28Å; V51-K71 WeakPolarHBondContact O-CA 3.3Å; A52-K71 HydrophobicContact CB-CG 4.33Å; K71-T73 PolarHBondContact O-N 2.91Å; K71-I78 VanDerWaalsContact C-CD1 3.5Å; K71-I78 WeakPolarHBondContact O-CG1 3.12Å
72T98.5Very high96.8Very high1 Ų162.6 Ų62.61%0.00632%0.324CS..  trans-60.9137.4177.155.90000111V39 A48 N50 V51 G76 E77 I78V39-T72 HydrophobicContact CB-CG2 4.2Å; V39-T72 HydrophobicContact CG2-CG2 3.7Å; A48-T72 WeakPolarHBondContact O-CB 3.45Å; A48-T72 PolarHBondContact O-OG1 2.89Å; N50-T72 WeakPolarHBondContact CA-O 3.26Å; N50-T72 PolarHBondContact N-O 2.89Å; N50-T72 PolarHBondContact N-OG1 3.4Å; N50-T72 VanDerWaalsContact N-OG1 3.12Å; V51-T72 HydrophobicContact CB-CG2 4.1Å; V51-T72 WeakPolarHBondContact CB-OG1 3.35Å; V51-T72 PolarHBondContact N-OG1 2.99Å; V51-T72 PolarHBondContact O-N 2.77Å; T72-G76 WeakPolarHBondContact CG2-O 3.5Å; T72-E77 WeakPolarHBondContact CA-O 2.99Å; T72-I78 HydrophobicContact CG2-CD1 4.23Å; T72-I78 HydrophobicContact CG2-CG1 3.94Å
73T98.3Very high96.6Very high64 Ų6463.9 Ų63.939%0.39332%0.324SS..  trans-68.8-179.3173.959.30000111.4A49 K71 Y75 G76 E77A49-T73 VanDerWaalsContact CA-O 3.29Å; A49-T73 WeakPolarHBondContact CA-O 3.25Å; A49-T73 WeakPolarHBondContact CB-O 3.33Å; K71-T73 PolarHBondContact O-N 2.91Å; T73-Y75 PolarHBondContact O-N 3.06Å; T73-Y75 VanDerWaalsContact O-N 3.12Å; T73-Y75 PolarHBondContact OG1-N 3.48Å; T73-G76 PolarHBondContact O-N 3.16Å; T73-E77 WeakPolarHBondContact CG2-O 3.27Å; T73-E77 PolarHBondContact N-O 2.85Å; T73-E77 PolarHBondContact OG1-N 3.33Å; T73-E77 PolarHBondContact OG1-O 2.87Å
74E97.8Very high96.2Very high144 Ų14464.8 Ų64.867%0.67332%0.323SS*.THydrogen-bonded Turntrans-58-22.6172.368.5-169.2138.400113.6G76E74-G76 VanDerWaalsContact C-N 3.3Å
75Y97.7Very high95.9Very high95 Ų9567.7 Ų67.737%0.37334%0.341SS..THydrogen-bonded Turntrans-87.54.3175.7-56-76.6000113.5H26 P47 T73 E77H26-Y75 AromaticContact CE1-CD1 3.73Å; H26-Y75 AromaticContact CE1-CD2 3.45Å; H26-Y75 VanDerWaalsContact CE1-CD2 3.45Å; H26-Y75 WeakPolarHBondContact CE1-CD2 3.19Å; H26-Y75 AromaticContact CE1-CE1 3.4Å; H26-Y75 VanDerWaalsContact CE1-CE1 3.4Å; H26-Y75 WeakPolarHBondContact CE1-CE1 3.33Å; H26-Y75 AromaticContact CE1-CE2 3.13Å; H26-Y75 WeakPolarHBondContact CE1-CE2 3.19Å; H26-Y75 AromaticContact CE1-CG 3.74Å; H26-Y75 AromaticContact CE1-CZ 3.08Å; H26-Y75 AromaticContact ND1-CD1 3.67Å; H26-Y75 AromaticContact ND1-CD2 3.74Å; H26-Y75 AromaticContact ND1-CE1 3.79Å; H26-Y75 AromaticContact ND1-CE2 3.88Å; H26-Y75 AromaticContact ND1-CG 3.63Å; H26-Y75 AromaticContact ND1-CZ 3.89Å; H26-Y75 AromaticContact NE2-CE1 3.55Å; H26-Y75 AromaticContact NE2-CE2 3.85Å; H26-Y75 AromaticContact NE2-CZ 3.33Å; H26-Y75 VanDerWaalsContact NE2-CZ 3.33Å; H26-Y75 PolarHBondContact NE2-OH 3.27Å; P47-Y75 WeakPolarHBondContact CB-O 3.33Å; T73-Y75 PolarHBondContact O-N 3.06Å; T73-Y75 VanDerWaalsContact O-N 3.12Å; T73-Y75 PolarHBondContact OG1-N 3.48Å; Y75-E77 PolarHBondContact O-N 3.22Å
76G98.3Very high95.7Very high0 Ų067.9 Ų67.90%034%0.342CS..SBendtrans7315.9-179.300000113.3K38 V39 T72 T73 E74K38-G76 CarbonylContact C-O 3.52Å; K38-G76 WeakPolarHBondContact CA-O 3.23Å; V39-G76 PolarHBondContact N-O 2.84Å; T72-G76 WeakPolarHBondContact CG2-O 3.5Å; T73-G76 PolarHBondContact O-N 3.16Å; E74-G76 VanDerWaalsContact C-N 3.3Å
77E98.1Very high95.6Very high4 Ų461.4 Ų61.42%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-114.3149.3-172.7-67.5171.1-178.400111.6V37 K38 T72 T73 Y75 H79V37-E77 VanDerWaalsContact O-CA 3.26Å; V37-E77 WeakPolarHBondContact O-CA 3.47Å; K38-E77 HydrophobicContact CB-CG 4.37Å; K38-E77 HydrophobicContact CD-CG 4.16Å; K38-E77 WeakPolarHBondContact CE-OE1 3.43Å; K38-E77 HydrophobicContact CG-CG 4.06Å; K38-E77 IonicContact NZ-OE1 2.79Å; K38-E77 PolarHBondContact NZ-OE1 3Å; T72-E77 WeakPolarHBondContact CA-O 2.99Å; T73-E77 WeakPolarHBondContact CG2-O 3.27Å; T73-E77 PolarHBondContact N-O 2.85Å; T73-E77 PolarHBondContact OG1-N 3.33Å; T73-E77 PolarHBondContact OG1-O 2.87Å; Y75-E77 PolarHBondContact O-N 3.22Å; E77-H79 IonicContact OE2-CD2 2.88Å; E77-H79 IonicContact OE2-CE1 2.75Å; E77-H79 IonicContact OE2-NE2 3.85Å; E77-H79 PolarHBondContact OE2-NE2 2.99Å
78I96.9Very high95.5Very high16 Ų1661.6 Ų61.68%0.08231%0.313CS..EExtended strand (participates in β ladder)trans-124.7119.2160.7-46.2174.6000107.4M36 V37 V53 K71 T72 L81M36-I78 WeakPolarHBondContact CG-O 3.28Å; V37-I78 HydrophobicContact CG2-CB 3.69Å; V37-I78 HydrophobicContact CG2-CD1 3.73Å; V37-I78 HydrophobicContact CG2-CG1 3.61Å; V37-I78 PolarHBondContact N-O 3.13Å; V37-I78 PolarHBondContact O-N 2.84Å; V53-I78 HydrophobicContact CB-CD1 3.68Å; V53-I78 HydrophobicContact CG1-CD1 4.45Å; V53-I78 HydrophobicContact CG2-CD1 3.62Å; K71-I78 VanDerWaalsContact C-CD1 3.5Å; K71-I78 WeakPolarHBondContact O-CG1 3.12Å; T72-I78 HydrophobicContact CG2-CD1 4.23Å; T72-I78 HydrophobicContact CG2-CG1 3.94Å; I78-L81 HydrophobicContact CB-CD1 4.47Å; I78-L81 HydrophobicContact CB-CD2 4.49Å; I78-L81 HydrophobicContact CB-CG 4.31Å; I78-L81 HydrophobicContact CD1-CD2 4.5Å; I78-L81 HydrophobicContact CG2-CD2 3.82Å; I78-L81 HydrophobicContact CG2-CG 3.85Å
79H93Very high95.4Very high52 Ų5266.9 Ų66.924%0.24133%0.334CS..  trans-95158.8170.8-61-83.8000109.1E77 L81E77-H79 IonicContact OE2-CD2 2.88Å; E77-H79 IonicContact OE2-CE1 2.75Å; E77-H79 IonicContact OE2-NE2 3.85Å; E77-H79 PolarHBondContact OE2-NE2 2.99Å; H79-L81 PolarHBondContact O-N 3.5Å
80E85.3Confident95.4Very high156 Ų15662.5 Ų62.573%0.72931%0.311SS*.  trans58.839170.8-52.3-177.916100114.7C33 T82C33-E80 PolarHBondContact SG-N 3.17Å; E80-T82 PolarHBondContact O-N 3.32Å; E80-T82 VanDerWaalsContact O-N 3.15Å
81L92.5Very high95.5Very high17 Ų1763.6 Ų63.69%0.08931%0.313CS..SBendtrans-61-21.1173.3-80166.7000113L35 V37 V55 A68 I78 H79L35-L81 HydrophobicContact CD2-CD1 4.39Å; L35-L81 HydrophobicContact CG-CD1 4.24Å; V37-L81 HydrophobicContact CG1-CD1 3.78Å; V37-L81 HydrophobicContact CG2-CD1 4.27Å; V55-L81 HydrophobicContact CG2-CD1 4.21Å; V55-L81 HydrophobicContact CG2-CD2 4.32Å; A68-L81 HydrophobicContact CB-CD2 4.42Å; A68-L81 WeakPolarHBondContact CB-O 3.36Å; I78-L81 HydrophobicContact CB-CD1 4.47Å; I78-L81 HydrophobicContact CB-CD2 4.49Å; I78-L81 HydrophobicContact CB-CG 4.31Å; I78-L81 HydrophobicContact CD1-CD2 4.5Å; I78-L81 HydrophobicContact CG2-CD2 3.82Å; I78-L81 HydrophobicContact CG2-CG 3.85Å; H79-L81 PolarHBondContact O-N 3.5Å
82T94.5Very high95.5Very high9 Ų957 Ų576%0.05529%0.285CS..SBendtrans-164166-178.2-179.50000109.6P34 L35 F67 E80 Q86 F87P34-T82 HydrophobicContact CG-CG2 3.95Å; L35-T82 HydrophobicContact CB-CG2 3.93Å; F67-T82 HydrophobicContact CE1-CG2 3.95Å; F67-T82 HydrophobicContact CZ-CG2 4.31Å; F67-T82 VanDerWaalsContact CZ-OG1 3.25Å; F67-T82 WeakPolarHBondContact CZ-OG1 3.11Å; E80-T82 PolarHBondContact O-N 3.32Å; E80-T82 VanDerWaalsContact O-N 3.15Å; T82-Q86 WeakPolarHBondContact OG1-CB 3.48Å; T82-F87 HydrophobicContact CG2-CB 3.68Å; T82-F87 HydrophobicContact CG2-CD2 3.97Å; T82-F87 HydrophobicContact CG2-CG 3.9Å
83T93Very high95.5Very high61 Ų6158.8 Ų58.837%0.37429%0.291SS..  trans-95.9166.1168.379.20000111.5E85 Q86 F87T83-E85 VanDerWaalsContact C-N 3.26Å; T83-E85 WeakPolarHBondContact CB-OE2 3.46Å; T83-E85 PolarHBondContact O-N 2.72Å; T83-E85 PolarHBondContact OG1-N 3.09Å; T83-E85 PolarHBondContact OG1-OE2 3.41Å; T83-Q86 PolarHBondContact O-N 3.35Å; T83-Q86 PolarHBondContact OG1-N 2.88Å; T83-F87 VanDerWaalsContact O-CB 3.3Å; T83-F87 WeakPolarHBondContact O-CB 3.41Å; T83-F87 PolarHBondContact O-N 3.29Å
84E90.8Very high95.5Very high66 Ų6655.7 Ų55.731%0.30827%0.273SS..THydrogen-bonded Turntrans-61.8-35.4177-64.9-168.6156.200112P34 Q86 F87 H125 H127P34-E84 HydrophobicContact CB-CG 4.21Å; P34-E84 HydrophobicContact CG-CG 4.12Å; E84-Q86 VanDerWaalsContact C-N 3.35Å; E84-Q86 PolarHBondContact O-N 3.46Å; E84-F87 PolarHBondContact O-N 3.48Å; E84-H125 PolarHBondContact O-CE1 2.87Å; E84-H127 IonicContact OE1-CD2 2.67Å; E84-H127 IonicContact OE1-CE1 3.98Å; E84-H127 IonicContact OE1-NE2 3.51Å; E84-H127 PolarHBondContact OE1-NE2 3.06Å
85E91.9Very high95.6Very high143 Ų14350.4 Ų50.467%0.66825%0.248SC*.THydrogen-bonded Turntrans-68.7-34179.7-56.478-169.800112.3T83 V88T83-E85 VanDerWaalsContact C-N 3.26Å; T83-E85 WeakPolarHBondContact CB-OE2 3.46Å; T83-E85 PolarHBondContact O-N 2.72Å; T83-E85 PolarHBondContact OG1-N 3.09Å; T83-E85 PolarHBondContact OG1-OE2 3.41Å; E85-V88 WeakPolarHBondContact O-CG1 3.37Å
86Q94.6Very high95.6Very high118 Ų11845.9 Ų45.955%0.55123%0.23SC*.THydrogen-bonded Turntrans-82.7-33.5178.9-69.2179.4-34.100111.8F67 T82 T83 E84 V88F67-Q86 HydrophobicContact CZ-CB 4.37Å; T82-Q86 WeakPolarHBondContact OG1-CB 3.48Å; T83-Q86 PolarHBondContact O-N 3.35Å; T83-Q86 PolarHBondContact OG1-N 2.88Å; E84-Q86 VanDerWaalsContact C-N 3.35Å; E84-Q86 PolarHBondContact O-N 3.46Å; Q86-V88 VanDerWaalsContact C-N 3.26Å; Q86-V88 PolarHBondContact O-N 3.44Å
87F95.9Very high95.6Very high0 Ų048.4 Ų48.40%024%0.244CC..SBendtrans-84.767.2-177.5-163.7-120.6000111.8P34 L35 F67 T82 T83 E84 Y92 F118 A120 N121 Y128P34-F87 HydrophobicContact CB-CB 4.46Å; P34-F87 HydrophobicContact CB-CD1 3.89Å; P34-F87 HydrophobicContact CG-CB 4.19Å; P34-F87 HydrophobicContact CG-CD1 4.42Å; L35-F87 HydrophobicContact CB-CZ 4.39Å; L35-F87 HydrophobicContact CD2-CE2 4.16Å; F67-F87 HydrophobicContact CE1-CD2 4.07Å; F67-F87 HydrophobicContact CZ-CB 4.5Å; F67-F87 HydrophobicContact CZ-CD2 4.01Å; T82-F87 HydrophobicContact CG2-CB 3.68Å; T82-F87 HydrophobicContact CG2-CD2 3.97Å; T82-F87 HydrophobicContact CG2-CG 3.9Å; T83-F87 VanDerWaalsContact O-CB 3.3Å; T83-F87 WeakPolarHBondContact O-CB 3.41Å; T83-F87 PolarHBondContact O-N 3.29Å; E84-F87 PolarHBondContact O-N 3.48Å; F87-Y92 HydrophobicContact CD2-CD1 4.29Å; F87-Y92 AromaticContact CD2-CE1 3.78Å; F87-Y92 HydrophobicContact CD2-CE1 3.78Å; F87-Y92 HydrophobicContact CD2-CE2 4.09Å; F87-Y92 AromaticContact CD2-CZ 3.67Å; F87-Y92 AromaticContact CE2-CD1 3.81Å; F87-Y92 HydrophobicContact CE2-CD1 3.81Å; F87-Y92 AromaticContact CE2-CD2 3.75Å; F87-Y92 HydrophobicContact CE2-CD2 3.75Å; F87-Y92 AromaticContact CE2-CE1 3.75Å; F87-Y92 HydrophobicContact CE2-CE1 3.75Å; F87-Y92 AromaticContact CE2-CE2 3.69Å; F87-Y92 HydrophobicContact CE2-CE2 3.69Å; F87-Y92 AromaticContact CE2-CG 3.81Å; F87-Y92 HydrophobicContact CE2-CG 3.81Å; F87-Y92 AromaticContact CE2-CZ 3.68Å; F87-Y92 HydrophobicContact CZ-CD2 4.26Å; F87-Y92 HydrophobicContact CZ-CE2 4.33Å; F87-F118 HydrophobicContact CZ-CE2 4.14Å; F87-F118 HydrophobicContact CZ-CZ 4.41Å; F87-A120 HydrophobicContact CE1-CB 3.83Å; F87-A120 HydrophobicContact CE2-CB 4.18Å; F87-A120 HydrophobicContact CZ-CB 3.47Å; F87-A120 VanDerWaalsContact CZ-CB 3.47Å; F87-N121 WeakPolarHBondContact CD1-ND2 3.32Å; F87-N121 WeakPolarHBondContact CE1-ND2 3.39Å; F87-N121 PolarHBondContact O-ND2 3.02Å; F87-Y128 AromaticContact CE1-CD2 3.63Å; F87-Y128 HydrophobicContact CE1-CD2 3.63Å; F87-Y128 AromaticContact CE1-CE2 3.85Å; F87-Y128 HydrophobicContact CE1-CE2 3.85Å; F87-Y128 HydrophobicContact CE1-CG 4.49Å; F87-Y128 HydrophobicContact CZ-CD2 4.25Å
88V95.6Very high95.7Very high61 Ų6148.5 Ų48.537%0.3724%0.244SC..  trans-82.4175.6179.2-55.20000111.9E85 Q86 G90 Y92E85-V88 WeakPolarHBondContact O-CG1 3.37Å; Q86-V88 VanDerWaalsContact C-N 3.26Å; Q86-V88 PolarHBondContact O-N 3.44Å; V88-G90 PolarHBondContact O-N 3.46Å; V88-Y92 PolarHBondContact N-OH 2.88Å; V88-Y92 WeakPolarHBondContact O-CE2 3.44Å; V88-Y92 PolarHBondContact O-OH 2.9Å
89E97.4Very high95.8Very high128 Ų12847.9 Ų47.960%0.59824%0.242SC*.SBendtrans-50.3135.7172-172.4-175151.600112.1A120E89-A120 WeakPolarHBondContact CA-O 3.36Å
90G97.6Very high96Very high18 Ų1848.5 Ų48.519%0.18625%0.252CS..EExtended strand (participates in β ladder)trans162.7179.7175.800000113.8V88 Y92 T119 A120V88-G90 PolarHBondContact O-N 3.46Å; G90-Y92 WeakPolarHBondContact O-CD2 3.36Å; G90-T119 WeakPolarHBondContact O-CA 3.47Å; G90-A120 PolarHBondContact N-O 3.03Å; G90-A120 PolarHBondContact O-N 3.14Å
91V98.6Very high96.7Very high45 Ų4542 Ų4227%0.27322%0.221SC..EExtended strand (participates in β ladder)trans-96.6125.9173-174.70000108.7K58 W64 V117 F118K58-V91 HydrophobicContact CB-CB 3.91Å; K58-V91 HydrophobicContact CB-CG1 4.47Å; K58-V91 WeakPolarHBondContact CB-O 3.31Å; K58-V91 HydrophobicContact CD-CB 4.27Å; K58-V91 HydrophobicContact CD-CG1 4.38Å; K58-V91 PolarHBondContact N-O 2.83Å; W64-V91 HydrophobicContact CH2-CG1 3.95Å; W64-V91 HydrophobicContact CZ3-CG1 4.48Å; V91-V117 HydrophobicContact CG1-CG1 3.79Å; V91-F118 CarbonylContact C-O 3.51Å; V91-F118 WeakPolarHBondContact CA-O 3.45Å
92Y98.8Very high97Very high0 Ų041.4 Ų41.40%022%0.217CC..EExtended strand (participates in β ladder)trans-116.4152.9-179.6-65.5-93.4000110.6V55 F56 K57 F67 F87 V88 G90 V117 F118 A120V55-Y92 HydrophobicContact CG1-CD1 4.44Å; F56-Y92 CarbonylContact O-C 3.57Å; F56-Y92 VanDerWaalsContact O-CA 3.26Å; F56-Y92 WeakPolarHBondContact O-CA 3.12Å; K57-Y92 HydrophobicContact CB-CD1 4.05Å; K57-Y92 HydrophobicContact CB-CE1 3.86Å; K57-Y92 HydrophobicContact CD-CE1 3.88Å; K57-Y92 HydrophobicContact CG-CD1 4.21Å; K57-Y92 HydrophobicContact CG-CE1 3.77Å; F67-Y92 HydrophobicContact CD1-CD1 4.39Å; F67-Y92 HydrophobicContact CD1-CE1 4.23Å; F67-Y92 HydrophobicContact CD2-CE1 4.05Å; F67-Y92 HydrophobicContact CE1-CE1 4.07Å; F67-Y92 AromaticContact CE2-CE1 3.9Å; F67-Y92 HydrophobicContact CE2-CE1 3.9Å; F67-Y92 HydrophobicContact CG-CD1 4.5Å; F67-Y92 HydrophobicContact CG-CE1 4.21Å; F67-Y92 AromaticContact CZ-CE1 3.91Å; F67-Y92 HydrophobicContact CZ-CE1 3.91Å; F87-Y92 HydrophobicContact CD2-CD1 4.29Å; F87-Y92 AromaticContact CD2-CE1 3.78Å; F87-Y92 HydrophobicContact CD2-CE1 3.78Å; F87-Y92 HydrophobicContact CD2-CE2 4.09Å; F87-Y92 AromaticContact CD2-CZ 3.67Å; F87-Y92 AromaticContact CE2-CD1 3.81Å; F87-Y92 HydrophobicContact CE2-CD1 3.81Å; F87-Y92 AromaticContact CE2-CD2 3.75Å; F87-Y92 HydrophobicContact CE2-CD2 3.75Å; F87-Y92 AromaticContact CE2-CE1 3.75Å; F87-Y92 HydrophobicContact CE2-CE1 3.75Å; F87-Y92 AromaticContact CE2-CE2 3.69Å; F87-Y92 HydrophobicContact CE2-CE2 3.69Å; F87-Y92 AromaticContact CE2-CG 3.81Å; F87-Y92 HydrophobicContact CE2-CG 3.81Å; F87-Y92 AromaticContact CE2-CZ 3.68Å; F87-Y92 HydrophobicContact CZ-CD2 4.26Å; F87-Y92 HydrophobicContact CZ-CE2 4.33Å; V88-Y92 PolarHBondContact N-OH 2.88Å; V88-Y92 WeakPolarHBondContact O-CE2 3.44Å; V88-Y92 PolarHBondContact O-OH 2.9Å; G90-Y92 WeakPolarHBondContact O-CD2 3.36Å; Y92-V117 WeakPolarHBondContact O-CA 3.19Å; Y92-F118 PolarHBondContact N-O 3.06Å; Y92-F118 PolarHBondContact O-N 2.94Å; Y92-A120 HydrophobicContact CD2-CB 3.67Å; Y92-A120 HydrophobicContact CE2-CB 3.79Å
93R98.8Very high97.2Very high37 Ų3746.6 Ų46.614%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-126.5126170.6179.8176.166.7174.44.3109.2V55 F56 W64 D115 V116 V117V55-R93 CarbonylContact C-O 3.53Å; V55-R93 VanDerWaalsContact CA-O 3.31Å; V55-R93 WeakPolarHBondContact CA-O 3.26Å; F56-R93 HydrophobicContact CB-CB 4.35Å; F56-R93 HydrophobicContact CD2-CB 4.38Å; F56-R93 HydrophobicContact CD2-CG 4.44Å; F56-R93 PolarHBondContact N-O 2.93Å; F56-R93 PolarHBondContact O-N 3.25Å; W64-R93 HydrophobicContact CD2-CB 4.45Å; W64-R93 HydrophobicContact CE3-CB 4.01Å; W64-R93 HydrophobicContact CH2-CB 3.79Å; W64-R93 HydrophobicContact CZ2-CB 4.24Å; W64-R93 HydrophobicContact CZ3-CB 3.65Å; R93-D115 HydrophobicContact CG-CB 4.21Å; R93-V116 CarbonylContact C-O 3.58Å; R93-V116 VanDerWaalsContact CA-O 3.3Å; R93-V116 WeakPolarHBondContact CA-O 3.5Å; R93-V117 HydrophobicContact CB-CG2 4.02Å; R93-V117 HydrophobicContact CG-CG2 3.79Å
94V98.8Very high97.4Very high0 Ų047 Ų470%026%0.256CS..EExtended strand (participates in β ladder)trans-103.3123.5169.1179.40000107.5L35 V37 V53 V55 F96 D115 V116 F118L35-V94 HydrophobicContact CD2-CG2 4.47Å; V37-V94 HydrophobicContact CG1-CG1 3.98Å; V53-V94 HydrophobicContact CG1-CG1 3.66Å; V55-V94 HydrophobicContact CG1-CG2 4.31Å; V55-V94 HydrophobicContact CG2-CG2 4.27Å; V94-F96 HydrophobicContact CB-CE2 4.35Å; V94-F96 HydrophobicContact CG1-CD2 4.26Å; V94-F96 HydrophobicContact CG1-CE1 4.14Å; V94-F96 HydrophobicContact CG1-CE2 3.6Å; V94-F96 HydrophobicContact CG1-CZ 3.52Å; V94-D115 CarbonylContact O-C 3.58Å; V94-D115 WeakPolarHBondContact O-CA 3.23Å; V94-V116 PolarHBondContact N-O 2.89Å; V94-V116 PolarHBondContact O-N 2.85Å; V94-F118 HydrophobicContact CG2-CE1 3.96Å
95E98.9Very high97.8Very high32 Ų3247.3 Ų47.315%0.1526%0.259CS..EExtended strand (participates in β ladder)trans-114.8123.2179.7-177.3-177.6103.700109.2V53 K54 F56 Y113V53-E95 CarbonylContact C-O 3.59Å; V53-E95 VanDerWaalsContact CA-O 3.27Å; V53-E95 WeakPolarHBondContact CA-O 3.48Å; K54-E95 PolarHBondContact N-O 3.12Å; K54-E95 PolarHBondContact O-N 3.28Å; F56-E95 HydrophobicContact CE2-CB 3.98Å; E95-Y113 HydrophobicContact CG-CD2 3.84Å; E95-Y113 HydrophobicContact CG-CG 3.97Å
96F98.8Very high98.1Very high1 Ų143.8 Ų43.80%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-103.2123.3176.7-56.3-91.8000109.3V37 V39 V51 V53 V94 T98 Y113 A114 V116 I130 A132V37-F96 HydrophobicContact CB-CE1 3.95Å; V37-F96 HydrophobicContact CB-CZ 4.21Å; V37-F96 HydrophobicContact CG1-CE1 4.18Å; V37-F96 HydrophobicContact CG1-CZ 4.12Å; V37-F96 HydrophobicContact CG2-CE1 4.29Å; V39-F96 HydrophobicContact CG2-CD1 3.71Å; V39-F96 HydrophobicContact CG2-CE1 3.58Å; V51-F96 HydrophobicContact CG1-CB 4.28Å; V53-F96 HydrophobicContact CG1-CE1 4.48Å; V53-F96 HydrophobicContact CG2-CD1 3.57Å; V53-F96 HydrophobicContact CG2-CE1 3.94Å; V53-F96 HydrophobicContact CG2-CG 4.48Å; V94-F96 HydrophobicContact CB-CE2 4.35Å; V94-F96 HydrophobicContact CG1-CD2 4.26Å; V94-F96 HydrophobicContact CG1-CE1 4.14Å; V94-F96 HydrophobicContact CG1-CE2 3.6Å; V94-F96 HydrophobicContact CG1-CZ 3.52Å; F96-T98 HydrophobicContact CB-CG2 4.02Å; F96-T98 PolarHBondContact O-N 3.21Å; F96-Y113 WeakPolarHBondContact O-CA 3.48Å; F96-Y113 VanDerWaalsContact O-CB 3.26Å; F96-Y113 WeakPolarHBondContact O-CB 3.31Å; F96-A114 HydrophobicContact CB-CB 4.45Å; F96-A114 WeakPolarHBondContact CD2-O 3.42Å; F96-A114 PolarHBondContact N-O 3.46Å; F96-A114 PolarHBondContact O-N 3.42Å; F96-V116 HydrophobicContact CE2-CG2 4.12Å; F96-I130 HydrophobicContact CE2-CG2 4.32Å; F96-I130 HydrophobicContact CZ-CG2 4.12Å; F96-A132 HydrophobicContact CE2-CB 4.49Å; F96-A132 HydrophobicContact CZ-CB 4.45Å
97D98.8Very high98.2Very high53 Ų5341.5 Ų41.528%0.28325%0.252SS..  trans-7671.8176-172.7-2.6000111.1A52 S99 S100 Y101A52-D97 HydrophobicContact CB-CB 4.01Å; A52-D97 PolarHBondContact O-N 2.65Å; D97-S99 VanDerWaalsContact C-N 3.33Å; D97-S100 VanDerWaalsContact CG-CB 3.43Å; D97-S100 VanDerWaalsContact OD1-CB 3.23Å; D97-S100 WeakPolarHBondContact OD1-CB 3.49Å; D97-S100 PolarHBondContact OD1-N 2.84Å; D97-S100 PolarHBondContact OD1-OG 2.83Å; D97-S100 WeakPolarHBondContact OD2-CB 3.37Å; D97-S100 PolarHBondContact OD2-OG 3.12Å; D97-Y101 PolarHBondContact O-N 2.92Å
98T98.8Very high98.4Very high5 Ų546 Ų463%0.03128%0.283CS..Hα-helixtrans-71.8-29.5-179.1590000111.9F96 Y101 W102 Y113 A114 L134F96-T98 HydrophobicContact CB-CG2 4.02Å; F96-T98 PolarHBondContact O-N 3.21Å; T98-Y101 PolarHBondContact O-N 2.87Å; T98-W102 PolarHBondContact O-N 3.06Å; T98-Y113 WeakPolarHBondContact OG1-CA 3.26Å; T98-A114 HydrophobicContact CG2-CB 3.81Å; T98-L134 HydrophobicContact CG2-CD1 3.82Å; T98-L134 HydrophobicContact CG2-CD2 3.79Å; T98-L134 HydrophobicContact CG2-CG 4.45Å
99S98.7Very high98.5Very high4 Ų444 Ų443%0.02827%0.272CS..Hα-helixtrans-64.2-51.1178.6-173.90000111D97 Y101 W102 K103 E112D97-S99 VanDerWaalsContact C-N 3.33Å; S99-Y101 VanDerWaalsContact C-N 3.34Å; S99-Y101 PolarHBondContact O-N 3.02Å; S99-W102 PolarHBondContact O-N 3.42Å; S99-K103 WeakPolarHBondContact O-CB 3.27Å; S99-K103 WeakPolarHBondContact O-CD 3.41Å; S99-K103 VanDerWaalsContact O-CG 3.26Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 3.48Å; S99-K103 WeakPolarHBondContact OG-CE 3.29Å; S99-K103 PolarHBondContact OG-NZ 2.67Å; S99-E112 WeakPolarHBondContact CB-O 3.37Å; S99-E112 PolarHBondContact OG-OE2 3.33Å
100S98.8Very high98.6Very high64 Ų6444.6 Ų44.645%0.44827%0.273SS..Hα-helixtrans-64.4-38.8176.5-610000112.1D97 K103 G104D97-S100 VanDerWaalsContact CG-CB 3.43Å; D97-S100 VanDerWaalsContact OD1-CB 3.23Å; D97-S100 WeakPolarHBondContact OD1-CB 3.49Å; D97-S100 PolarHBondContact OD1-N 2.84Å; D97-S100 PolarHBondContact OD1-OG 2.83Å; D97-S100 WeakPolarHBondContact OD2-CB 3.37Å; D97-S100 PolarHBondContact OD2-OG 3.12Å; S100-K103 PolarHBondContact O-N 2.76Å; S100-G104 PolarHBondContact O-N 3.1Å
101Y98.8Very high98.6Very high20 Ų2046 Ų468%0.07827%0.274CS..Hα-helixtrans-57.3-52.1176.8171.4-99.7000111.9D41 R44 A48 V51 D97 T98 S99 G104 L105 L134D41-Y101 WeakPolarHBondContact CB-OH 3.41Å; D41-Y101 PolarHBondContact OD2-OH 3.44Å; R44-Y101 PolarHBondContact NH2-OH 2.83Å; A48-Y101 HydrophobicContact CB-CE1 4.34Å; A48-Y101 HydrophobicContact CB-CE2 3.88Å; V51-Y101 HydrophobicContact CG2-CD2 3.44Å; V51-Y101 VanDerWaalsContact CG2-CD2 3.44Å; V51-Y101 HydrophobicContact CG2-CE2 3.87Å; V51-Y101 HydrophobicContact CG2-CG 3.83Å; D97-Y101 PolarHBondContact O-N 2.92Å; T98-Y101 PolarHBondContact O-N 2.87Å; S99-Y101 VanDerWaalsContact C-N 3.34Å; S99-Y101 PolarHBondContact O-N 3.02Å; Y101-G104 PolarHBondContact O-N 3.31Å; Y101-L105 HydrophobicContact CE1-CD1 3.91Å; Y101-L105 HydrophobicContact CE2-CD1 4.22Å; Y101-L105 PolarHBondContact O-N 3.06Å; Y101-L134 HydrophobicContact CD1-CD1 4.32Å; Y101-L134 HydrophobicContact CE1-CD1 4.46Å
102W98.8Very high98.6Very high4 Ų450 Ų502%0.01529%0.29CS..Hα-helixtrans-68.5-40.3-179.6-70.8125.1000113D41 V43 T98 S99 G104 L105 G106 L107 P109 L134 S135 P136D41-W102 WeakPolarHBondContact OD1-CH2 3.26Å; D41-W102 WeakPolarHBondContact OD2-CH2 3.46Å; D41-W102 WeakPolarHBondContact OD2-CZ3 3.47Å; V43-W102 HydrophobicContact CB-CH2 4.32Å; V43-W102 HydrophobicContact CB-CZ3 4.5Å; V43-W102 HydrophobicContact CG2-CH2 3.94Å; V43-W102 HydrophobicContact CG2-CZ3 4.33Å; T98-W102 PolarHBondContact O-N 3.06Å; S99-W102 PolarHBondContact O-N 3.42Å; W102-G104 VanDerWaalsContact C-N 3.29Å; W102-G104 PolarHBondContact O-N 3.37Å; W102-L105 HydrophobicContact CE3-CD1 4.04Å; W102-L105 HydrophobicContact CZ3-CD1 4.09Å; W102-L105 CarbonylContact O-C 3.57Å; W102-L105 WeakPolarHBondContact O-CA 3.37Å; W102-L105 PolarHBondContact O-N 3.48Å; W102-G106 PolarHBondContact O-N 3.12Å; W102-L107 CarbonylContact C-O 3.57Å; W102-L107 HydrophobicContact CB-CB 4.42Å; W102-L107 HydrophobicContact CE3-CD1 3.76Å; W102-L107 HydrophobicContact CZ3-CD1 3.94Å; W102-L107 PolarHBondContact O-N 3.12Å; W102-P109 HydrophobicContact CB-CB 3.79Å; W102-P109 HydrophobicContact CB-CG 4.01Å; W102-P109 HydrophobicContact CG-CB 4.06Å; W102-L134 HydrophobicContact CZ2-CB 3.61Å; W102-S135 VanDerWaalsContact CZ2-C 3.46Å; W102-S135 PolarHBondContact NE1-O 3.46Å; W102-P136 HydrophobicContact CD2-CB 4.49Å; W102-P136 HydrophobicContact CD2-CG 4.06Å; W102-P136 HydrophobicContact CE3-CG 4.13Å; W102-P136 HydrophobicContact CH2-CG 4.36Å; W102-P136 HydrophobicContact CZ2-CG 4.31Å; W102-P136 HydrophobicContact CZ3-CG 4.29Å
103K98.6Very high98.6Very high119 Ų11954.9 Ų54.952%0.51731%0.309SS..Hα-helixtrans-60.9-38.8174.9-74.5168.5179.4159.80111.6S99 S100 L105 G106 P109S99-K103 WeakPolarHBondContact O-CB 3.27Å; S99-K103 WeakPolarHBondContact O-CD 3.41Å; S99-K103 VanDerWaalsContact O-CG 3.26Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 3.48Å; S99-K103 WeakPolarHBondContact OG-CE 3.29Å; S99-K103 PolarHBondContact OG-NZ 2.67Å; S100-K103 PolarHBondContact O-N 2.76Å; K103-L105 PolarHBondContact O-N 2.94Å; K103-G106 PolarHBondContact O-N 3.39Å; K103-P109 HydrophobicContact CG-CG 4.27Å
104G98.3Very high98.6Very high70 Ų7053.1 Ų53.172%0.72230%0.303SS*.Hα-helixtrans-62.3-23.9174.300000113.7S100 Y101 W102S100-G104 PolarHBondContact O-N 3.1Å; Y101-G104 PolarHBondContact O-N 3.31Å; W102-G104 VanDerWaalsContact C-N 3.29Å; W102-G104 PolarHBondContact O-N 3.37Å
105L97.9Very high98.6Very high72 Ų7255.6 Ų55.638%0.37732%0.316SS..THydrogen-bonded Turntrans-93.75.6173.3-61.8176.8000113.3Y101 W102 K103 L107Y101-L105 HydrophobicContact CE1-CD1 3.91Å; Y101-L105 HydrophobicContact CE2-CD1 4.22Å; Y101-L105 PolarHBondContact O-N 3.06Å; W102-L105 HydrophobicContact CE3-CD1 4.04Å; W102-L105 HydrophobicContact CZ3-CD1 4.09Å; W102-L105 CarbonylContact O-C 3.57Å; W102-L105 WeakPolarHBondContact O-CA 3.37Å; W102-L105 PolarHBondContact O-N 3.48Å; K103-L105 PolarHBondContact O-N 2.94Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.24Å
106G98.3Very high98.6Very high69 Ų6955.2 Ų55.271%0.71132%0.316SS*.THydrogen-bonded Turntrans73.616.3-178.800000114.4W102 K103W102-G106 PolarHBondContact O-N 3.12Å; K103-G106 PolarHBondContact O-N 3.39Å
107L98.2Very high98.6Very high69 Ų6959 Ų5936%0.36134%0.339SS..  trans-100.1147.8176.7-61.9179.7000110.5W102 L105 P109 P136W102-L107 CarbonylContact C-O 3.57Å; W102-L107 HydrophobicContact CB-CB 4.42Å; W102-L107 HydrophobicContact CE3-CD1 3.76Å; W102-L107 HydrophobicContact CZ3-CD1 3.94Å; W102-L107 PolarHBondContact O-N 3.12Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.24Å; L107-P109 WeakPolarHBondContact O-CD 3.49Å; L107-P136 HydrophobicContact CD1-CG 3.99Å
108S98.3Very high98.5Very high94 Ų9458 Ų5866%0.65733%0.332SS*.  trans-88.3109.5172.6-170.90000109.5F137S108-F137 WeakPolarHBondContact O-CE2 3.45Å
109P98.5Very high98.5Very high20 Ų2061.3 Ų61.313%0.1335%0.352CS..  trans-79.2159.1173.932.9-34.4000111.7W102 K103 L107 P136W102-P109 HydrophobicContact CB-CB 3.79Å; W102-P109 HydrophobicContact CB-CG 4.01Å; W102-P109 HydrophobicContact CG-CB 4.06Å; K103-P109 HydrophobicContact CG-CG 4.27Å; L107-P109 WeakPolarHBondContact O-CD 3.49Å; P109-P136 WeakPolarHBondContact CA-O 3.43Å
110F98.8Very high98.4Very high140 Ų14061.1 Ų61.161%0.61435%0.351SS*.SBendtrans-89.9-44.7170.5180-100.4000112.6P136 F137F110-P136 PolarHBondContact N-O 2.78Å; F110-F137 HydrophobicContact CB-CB 4.37Å; F110-F137 HydrophobicContact CB-CD1 3.58Å; F110-F137 HydrophobicContact CB-CE1 3.92Å; F110-F137 HydrophobicContact CB-CG 3.99Å; F110-F137 HydrophobicContact CD2-CD1 4.06Å; F110-F137 HydrophobicContact CD2-CE1 4.12Å; F110-F137 HydrophobicContact CG-CD1 4.06Å; F110-F137 HydrophobicContact CG-CE1 4.43Å
111H98.8Very high98.2Very high48 Ų4858.4 Ų58.422%0.22233%0.332CS..  trans-84.7140.2-176.4-52.989.5000110.6Y139H111-Y139 AromaticContact CD2-CE1 3.77Å; H111-Y139 AromaticContact NE2-CE1 3.92Å
112E98.6Very high97.8Very high129 Ų12961.5 Ų61.560%0.60335%0.349SS*.SBendtrans-74.5-29.9173.1-70.3-57.1157.300112.7S99S99-E112 WeakPolarHBondContact CB-O 3.37Å; S99-E112 PolarHBondContact OG-OE2 3.33Å
113Y98.8Very high97.3Very high102 Ų10266 Ų6640%0.438%0.382SS..  trans-161.8168.8170.451.3-94.9000108E95 F96 T98 D115E95-Y113 HydrophobicContact CG-CD2 3.84Å; E95-Y113 HydrophobicContact CG-CG 3.97Å; F96-Y113 WeakPolarHBondContact O-CA 3.48Å; F96-Y113 VanDerWaalsContact O-CB 3.26Å; F96-Y113 WeakPolarHBondContact O-CB 3.31Å; T98-Y113 WeakPolarHBondContact OG1-CA 3.26Å; Y113-D115 HydrophobicContact CD2-CB 4.21Å; Y113-D115 HydrophobicContact CE2-CB 4.23Å
114A98.7Very high96.8Very high1 Ų162.2 Ų62.21%0.00838%0.376CS..EExtended strand (participates in β ladder)trans-110.8137.3165.100000108.4F96 T98 Y139F96-A114 HydrophobicContact CB-CB 4.45Å; F96-A114 WeakPolarHBondContact CD2-O 3.42Å; F96-A114 PolarHBondContact N-O 3.46Å; F96-A114 PolarHBondContact O-N 3.42Å; T98-A114 HydrophobicContact CG2-CB 3.81Å; A114-Y139 HydrophobicContact CB-CD1 3.89Å; A114-Y139 HydrophobicContact CB-CD2 3.79Å; A114-Y139 HydrophobicContact CB-CE1 3.88Å; A114-Y139 HydrophobicContact CB-CE2 3.77Å; A114-Y139 HydrophobicContact CB-CG 3.85Å
115D98.2Very high96.4Very high52 Ų5263.5 Ų63.528%0.27836%0.363SS..EExtended strand (participates in β ladder)trans-128.3156.3175.370.2-17.3000113.3R93 V94 Y113R93-D115 HydrophobicContact CG-CB 4.21Å; V94-D115 CarbonylContact O-C 3.58Å; V94-D115 WeakPolarHBondContact O-CA 3.23Å; Y113-D115 HydrophobicContact CD2-CB 4.21Å; Y113-D115 HydrophobicContact CE2-CB 4.23Å
116V98.7Very high96.1Very high24 Ų2463.1 Ų63.115%0.14536%0.356CS..EExtended strand (participates in β ladder)trans-134.2118.6176.6-172.90000107.5R93 V94 F96 F118 I130 T141R93-V116 CarbonylContact C-O 3.58Å; R93-V116 VanDerWaalsContact CA-O 3.3Å; R93-V116 WeakPolarHBondContact CA-O 3.5Å; V94-V116 PolarHBondContact N-O 2.89Å; V94-V116 PolarHBondContact O-N 2.85Å; F96-V116 HydrophobicContact CE2-CG2 4.12Å; V116-F118 HydrophobicContact CG1-CD1 4.22Å; V116-I130 HydrophobicContact CB-CG2 4.1Å; V116-I130 HydrophobicContact CG1-CG2 4.14Å; V116-I130 HydrophobicContact CG2-CG2 3.8Å; V116-T141 HydrophobicContact CG2-CG2 4Å; V116-T141 VanDerWaalsContact CG2-OG1 3.26Å; V116-T141 WeakPolarHBondContact CG2-OG1 3.23Å
117V98.7Very high95.9Very high79 Ų7960 Ų6048%0.47932%0.324SS..EExtended strand (participates in β ladder)trans-111.6127.3178.7-178.20000109.1W64 V91 Y92 R93W64-V117 HydrophobicContact CH2-CG1 3.79Å; W64-V117 HydrophobicContact CH2-CG2 4.48Å; W64-V117 HydrophobicContact CZ2-CG1 4.2Å; W64-V117 HydrophobicContact CZ2-CG2 4.41Å; V91-V117 HydrophobicContact CG1-CG1 3.79Å; Y92-V117 WeakPolarHBondContact O-CA 3.19Å; R93-V117 HydrophobicContact CB-CG2 4.02Å; R93-V117 HydrophobicContact CG-CG2 3.79Å
118F98.4Very high95.7Very high32 Ų3257.2 Ų57.214%0.1431%0.308CS..EExtended strand (participates in β ladder)trans-151.4156.7-175.763.1-80.4000112.3L35 F87 V91 Y92 V94 V116 A120 Y128 I130L35-F118 HydrophobicContact CD1-CZ 4.05Å; F87-F118 HydrophobicContact CZ-CE2 4.14Å; F87-F118 HydrophobicContact CZ-CZ 4.41Å; V91-F118 CarbonylContact C-O 3.51Å; V91-F118 WeakPolarHBondContact CA-O 3.45Å; Y92-F118 PolarHBondContact N-O 3.06Å; Y92-F118 PolarHBondContact O-N 2.94Å; V94-F118 HydrophobicContact CG2-CE1 3.96Å; V116-F118 HydrophobicContact CG1-CD1 4.22Å; F118-A120 HydrophobicContact CD2-CB 4.27Å; F118-A120 HydrophobicContact CE2-CB 3.97Å; F118-Y128 HydrophobicContact CD2-CD1 4.26Å; F118-Y128 HydrophobicContact CD2-CE1 4.26Å; F118-Y128 AromaticContact CE2-CD1 3.95Å; F118-Y128 HydrophobicContact CE2-CD1 3.95Å; F118-Y128 HydrophobicContact CE2-CE1 4.25Å; F118-Y128 HydrophobicContact CE2-CG 4.35Å; F118-I130 HydrophobicContact CD1-CD1 4.43Å; F118-I130 HydrophobicContact CE1-CD1 4.09Å; F118-I130 HydrophobicContact CE1-CG1 4.24Å; F118-I130 HydrophobicContact CZ-CD1 4.25Å; F118-I130 HydrophobicContact CZ-CG1 4.41Å
119T98.1Very high95.7Very high75 Ų7553.9 Ų53.946%0.4628%0.284SS..EExtended strand (participates in β ladder)trans-88.1130.6168.5-56.10000109G90 D122G90-T119 WeakPolarHBondContact O-CA 3.47Å; T119-D122 HydrophobicContact CG2-CB 4.11Å
120A97.1Very high95.7Very high0 Ų053 Ų530%028%0.278CS..EExtended strand (participates in β ladder)trans-112.3148.3176.500000111.1F87 E89 G90 Y92 F118 D122 Y128F87-A120 HydrophobicContact CE1-CB 3.83Å; F87-A120 HydrophobicContact CE2-CB 4.18Å; F87-A120 HydrophobicContact CZ-CB 3.47Å; F87-A120 VanDerWaalsContact CZ-CB 3.47Å; E89-A120 WeakPolarHBondContact CA-O 3.36Å; G90-A120 PolarHBondContact N-O 3.03Å; G90-A120 PolarHBondContact O-N 3.14Å; Y92-A120 HydrophobicContact CD2-CB 3.67Å; Y92-A120 HydrophobicContact CE2-CB 3.79Å; F118-A120 HydrophobicContact CD2-CB 4.27Å; F118-A120 HydrophobicContact CE2-CB 3.97Å; A120-D122 PolarHBondContact O-N 2.99Å; A120-D122 VanDerWaalsContact O-N 3.09Å; A120-Y128 WeakPolarHBondContact CA-OH 3.25Å; A120-Y128 HydrophobicContact CB-CE2 4.21Å
121N94.8Very high95.7Very high8 Ų847.6 Ų47.64%0.04326%0.259CS..SBendtrans5721.5166.2-53-40.8000117.7F87 S123 G124 R126 Y128F87-N121 WeakPolarHBondContact CD1-ND2 3.32Å; F87-N121 WeakPolarHBondContact CE1-ND2 3.39Å; F87-N121 PolarHBondContact O-ND2 3.02Å; N121-S123 PolarHBondContact O-N 3.32Å; N121-G124 VanDerWaalsContact CA-O 3.24Å; N121-G124 WeakPolarHBondContact CA-O 3.22Å; N121-G124 PolarHBondContact O-N 3.45Å; N121-G124 PolarHBondContact OD1-O 3.28Å; N121-R126 PolarHBondContact OD1-N 3.26Å; N121-Y128 PolarHBondContact N-OH 3.47Å; N121-Y128 WeakPolarHBondContact OD1-CE2 3.13Å
122D89.4Confident95.7Very high84 Ų8445.5 Ų45.545%0.44925%0.25SS..THydrogen-bonded Turntrans-63.3-19.2174.363.5-20.8000114.6T119 A120 R126T119-D122 HydrophobicContact CG2-CB 4.11Å; A120-D122 PolarHBondContact O-N 2.99Å; A120-D122 VanDerWaalsContact O-N 3.09Å; D122-R126 IonicContact OD1-CZ 3.88Å; D122-R126 IonicContact OD1-NH2 2.83Å; D122-R126 PolarHBondContact OD1-NH2 2.96Å
123S88.1Confident95.7Very high100 Ų10042.9 Ų42.970%0.69924%0.24SC*.THydrogen-bonded Turntrans-122.226.4178.7-57.10000112.2N121N121-S123 PolarHBondContact O-N 3.32Å
124G87.9Confident95.7Very high38 Ų3838 Ų3839%0.39222%0.221SC..SBendtrans102171.8-17400000113.3N121 R126N121-G124 VanDerWaalsContact CA-O 3.24Å; N121-G124 WeakPolarHBondContact CA-O 3.22Å; N121-G124 PolarHBondContact O-N 3.45Å; N121-G124 PolarHBondContact OD1-O 3.28Å; G124-R126 PolarHBondContact O-N 3.03Å
125H89.3Confident95.7Very high98 Ų9840 Ų4045%0.45423%0.234SC..  trans-63.9130.2-178-71.1-76.7000111E84 P148E84-H125 PolarHBondContact O-CE1 2.87Å; H125-P148 HydrophobicContact CB-CG 4.3Å; H125-P148 WeakPolarHBondContact O-CD 3.21Å; H125-P148 WeakPolarHBondContact O-CG 3.34Å
126R92.3Very high95.7Very high63 Ų6338.5 Ų38.524%0.23823%0.228CC..  trans-135.6159.8173.8-68.6179.4-66.5-173-8.4109.8N121 D122 G124 Y128 V145 S146N121-R126 PolarHBondContact OD1-N 3.26Å; D122-R126 IonicContact OD1-CZ 3.88Å; D122-R126 IonicContact OD1-NH2 2.83Å; D122-R126 PolarHBondContact OD1-NH2 2.96Å; G124-R126 PolarHBondContact O-N 3.03Å; R126-Y128 HydrophobicContact CB-CD2 4.45Å; R126-Y128 HydrophobicContact CB-CE2 3.71Å; R126-Y128 PolarHBondContact NE-OH 2.59Å; R126-Y128 VanDerWaalsContact NE-OH 3.16Å; R126-Y128 PolarHBondContact NH2-OH 2.71Å; R126-Y128 WeakPolarHBondContact O-CD2 3.48Å; R126-Y128 WeakPolarHBondContact O-CE2 3.4Å; R126-V145 HydrophobicContact CB-CG1 3.93Å; R126-V145 HydrophobicContact CG-CG1 4.42Å; R126-S146 WeakPolarHBondContact CA-O 3.39Å
127H93.4Very high95.7Very high5 Ų544 Ų442%0.02325%0.25CS..EExtended strand (participates in β ladder)trans-100.8135.1173.8-62.1167.8000110.2S31 E84 V145 S146S31-H127 VanDerWaalsContact C-CE1 3.49Å; S31-H127 PolarHBondContact O-CE1 2.89Å; E84-H127 IonicContact OE1-CD2 2.67Å; E84-H127 IonicContact OE1-CE1 3.98Å; E84-H127 IonicContact OE1-NE2 3.51Å; E84-H127 PolarHBondContact OE1-NE2 3.06Å; H127-V145 WeakPolarHBondContact O-CA 3.33Å; H127-S146 PolarHBondContact N-O 2.82Å; H127-S146 PolarHBondContact O-N 2.96Å
128Y96Very high95.7Very high9 Ų943.6 Ų43.64%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-120.4127.3-173.4-64.8-103.2000110P34 L35 M36 F87 F118 A120 N121 R126 V145P34-Y128 PolarHBondContact O-N 2.98Å; L35-Y128 WeakPolarHBondContact CA-O 3.32Å; M36-Y128 PolarHBondContact N-O 3.36Å; F87-Y128 AromaticContact CE1-CD2 3.63Å; F87-Y128 HydrophobicContact CE1-CD2 3.63Å; F87-Y128 AromaticContact CE1-CE2 3.85Å; F87-Y128 HydrophobicContact CE1-CE2 3.85Å; F87-Y128 HydrophobicContact CE1-CG 4.49Å; F87-Y128 HydrophobicContact CZ-CD2 4.25Å; F118-Y128 HydrophobicContact CD2-CD1 4.26Å; F118-Y128 HydrophobicContact CD2-CE1 4.26Å; F118-Y128 AromaticContact CE2-CD1 3.95Å; F118-Y128 HydrophobicContact CE2-CD1 3.95Å; F118-Y128 HydrophobicContact CE2-CE1 4.25Å; F118-Y128 HydrophobicContact CE2-CG 4.35Å; A120-Y128 WeakPolarHBondContact CA-OH 3.25Å; A120-Y128 HydrophobicContact CB-CE2 4.21Å; N121-Y128 PolarHBondContact N-OH 3.47Å; N121-Y128 WeakPolarHBondContact OD1-CE2 3.13Å; R126-Y128 HydrophobicContact CB-CD2 4.45Å; R126-Y128 HydrophobicContact CB-CE2 3.71Å; R126-Y128 PolarHBondContact NE-OH 2.59Å; R126-Y128 VanDerWaalsContact NE-OH 3.16Å; R126-Y128 PolarHBondContact NH2-OH 2.71Å; R126-Y128 WeakPolarHBondContact O-CD2 3.48Å; R126-Y128 WeakPolarHBondContact O-CE2 3.4Å; Y128-V145 HydrophobicContact CD1-CG1 4.17Å; Y128-V145 HydrophobicContact CD1-CG2 3.69Å; Y128-V145 HydrophobicContact CE1-CG1 3.89Å; Y128-V145 HydrophobicContact CE1-CG2 3.86Å
129T97.1Very high95.7Very high25 Ų2545.5 Ų45.515%0.15326%0.257CS..EExtended strand (participates in β ladder)trans-110.2113.3164.3-63.90000108.9M36 A143 V144M36-T129 HydrophobicContact CE-CG2 3.39Å; M36-T129 VanDerWaalsContact CE-OG1 3.31Å; M36-T129 WeakPolarHBondContact CE-OG1 3.38Å; M36-T129 WeakPolarHBondContact O-CA 3.4Å; M36-T129 HydrophobicContact SD-CG2 3.73Å; T129-A143 WeakPolarHBondContact O-CA 3.45Å; T129-V144 PolarHBondContact N-O 2.85Å; T129-V144 PolarHBondContact O-N 2.81Å
130I98.3Very high95.8Very high2 Ų245 Ų451%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-94.1109.5173.4-51.5-56.2000108.4L35 M36 V37 K38 F96 V116 F118 A143L35-I130 HydrophobicContact CD1-CG1 3.99Å; M36-I130 PolarHBondContact O-N 3.44Å; V37-I130 CarbonylContact C-O 3.59Å; V37-I130 VanDerWaalsContact CA-O 3.27Å; V37-I130 WeakPolarHBondContact CA-O 3.4Å; V37-I130 HydrophobicContact CG1-CB 4.31Å; K38-I130 PolarHBondContact N-O 2.9Å; F96-I130 HydrophobicContact CE2-CG2 4.32Å; F96-I130 HydrophobicContact CZ-CG2 4.12Å; V116-I130 HydrophobicContact CB-CG2 4.1Å; V116-I130 HydrophobicContact CG1-CG2 4.14Å; V116-I130 HydrophobicContact CG2-CG2 3.8Å; F118-I130 HydrophobicContact CD1-CD1 4.43Å; F118-I130 HydrophobicContact CE1-CD1 4.09Å; F118-I130 HydrophobicContact CE1-CG1 4.24Å; F118-I130 HydrophobicContact CZ-CD1 4.25Å; F118-I130 HydrophobicContact CZ-CG1 4.41Å; I130-A143 HydrophobicContact CD1-CB 4.03Å
131A98.4Very high95.8Very high25 Ų2548 Ų4821%0.20728%0.275CS..EExtended strand (participates in β ladder)trans-100.2139.917900000111.1K38 T141 T142K38-A131 CarbonylContact O-C 3.38Å; K38-A131 WeakPolarHBondContact O-CA 3.34Å; A131-T141 CarbonylContact O-C 3.47Å; A131-T141 VanDerWaalsContact O-CA 3.22Å; A131-T141 WeakPolarHBondContact O-CA 3.46Å; A131-T141 PolarHBondContact O-OG1 2.88Å; A131-T141 VanDerWaalsContact O-OG1 3.06Å; A131-T142 HydrophobicContact CB-CG2 3.85Å; A131-T142 PolarHBondContact N-O 2.93Å; A131-T142 PolarHBondContact O-N 2.81Å
132A98.8Very high96Very high5 Ų551.8 Ų51.84%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-130.8133.8175.300000110.8K38 V39 L40 F96 L134 S140K38-A132 PolarHBondContact O-N 2.67Å; V39-A132 CarbonylContact C-O 3.51Å; V39-A132 WeakPolarHBondContact CA-O 3.46Å; V39-A132 HydrophobicContact CG1-CB 4.31Å; L40-A132 PolarHBondContact N-O 2.76Å; F96-A132 HydrophobicContact CE2-CB 4.49Å; F96-A132 HydrophobicContact CZ-CB 4.45Å; A132-L134 HydrophobicContact CB-CD2 4.18Å; A132-S140 CarbonylContact C-O 3.59Å; A132-S140 WeakPolarHBondContact CA-O 3.37Å
133L98.9Very high96.4Very high73 Ų7350.4 Ų50.438%0.38230%0.299SS..EExtended strand (participates in β ladder)trans-114.6119.5172.1178.367.7000108.5L40 A42 Y139 S140L40-L133 HydrophobicContact CB-CD1 3.62Å; A42-L133 HydrophobicContact CB-CD1 3.8Å; A42-L133 HydrophobicContact CB-CD2 4.44Å; A42-L133 HydrophobicContact CB-CG 4.02Å; L133-Y139 CarbonylContact O-C 3.6Å; L133-Y139 VanDerWaalsContact O-CA 3.25Å; L133-Y139 WeakPolarHBondContact O-CA 3.38Å; L133-S140 PolarHBondContact N-O 2.79Å; L133-S140 PolarHBondContact O-N 3.36Å
134L98.9Very high96.8Very high1 Ų149.9 Ų49.91%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-106.5137.5-168.1-52.3-175.5000111.9V39 L40 A42 T98 Y101 W102 A132V39-L134 HydrophobicContact CG1-CD1 3.47Å; V39-L134 VanDerWaalsContact CG1-CD1 3.47Å; V39-L134 HydrophobicContact CG1-CD2 4.41Å; V39-L134 HydrophobicContact CG1-CG 3.74Å; L40-L134 PolarHBondContact O-N 3.29Å; A42-L134 WeakPolarHBondContact CB-O 3.4Å; A42-L134 PolarHBondContact N-O 3.26Å; T98-L134 HydrophobicContact CG2-CD1 3.82Å; T98-L134 HydrophobicContact CG2-CD2 3.79Å; T98-L134 HydrophobicContact CG2-CG 4.45Å; Y101-L134 HydrophobicContact CD1-CD1 4.32Å; Y101-L134 HydrophobicContact CE1-CD1 4.46Å; W102-L134 HydrophobicContact CZ2-CB 3.61Å; A132-L134 HydrophobicContact CB-CD2 4.18Å
135S98.8Very high97.1Very high41 Ų4151.1 Ų51.129%0.28729%0.291SS..EExtended strand (participates in β ladder)trans-129.6159.7158.9-68.80000108.7W102 F137 S138W102-S135 VanDerWaalsContact CZ2-C 3.46Å; W102-S135 PolarHBondContact NE1-O 3.46Å; S135-F137 PolarHBondContact O-N 3.06Å; S135-F137 VanDerWaalsContact O-N 3.14Å; S135-S138 CarbonylContact C-O 3.41Å; S135-S138 WeakPolarHBondContact CA-O 3.41Å; S135-S138 WeakPolarHBondContact CB-O 3.33Å; S135-S138 PolarHBondContact N-O 2.89Å; S135-S138 PolarHBondContact O-N 3.46Å
136P98.6Very high97.2Very high21 Ų2148.4 Ų48.414%0.13628%0.283CS..THydrogen-bonded Turntrans-59-32.1-177.2-27.234.3000114V43 W102 L107 P109 F110V43-P136 VanDerWaalsContact CG2-CD 3.5Å; V43-P136 HydrophobicContact CG2-CG 4.23Å; W102-P136 HydrophobicContact CD2-CB 4.49Å; W102-P136 HydrophobicContact CD2-CG 4.06Å; W102-P136 HydrophobicContact CE3-CG 4.13Å; W102-P136 HydrophobicContact CH2-CG 4.36Å; W102-P136 HydrophobicContact CZ2-CG 4.31Å; W102-P136 HydrophobicContact CZ3-CG 4.29Å; L107-P136 HydrophobicContact CD1-CG 3.99Å; P109-P136 WeakPolarHBondContact CA-O 3.43Å; F110-P136 PolarHBondContact N-O 2.78Å
137F98.7Very high97Very high141 Ų14151.1 Ų51.162%0.61830%0.302SS*.THydrogen-bonded Turntrans-113.38-177.9-74-102.6000114.2S108 F110 S135S108-F137 WeakPolarHBondContact O-CE2 3.45Å; F110-F137 HydrophobicContact CB-CB 4.37Å; F110-F137 HydrophobicContact CB-CD1 3.58Å; F110-F137 HydrophobicContact CB-CE1 3.92Å; F110-F137 HydrophobicContact CB-CG 3.99Å; F110-F137 HydrophobicContact CD2-CD1 4.06Å; F110-F137 HydrophobicContact CD2-CE1 4.12Å; F110-F137 HydrophobicContact CG-CD1 4.06Å; F110-F137 HydrophobicContact CG-CE1 4.43Å; S135-F137 PolarHBondContact O-N 3.06Å; S135-F137 VanDerWaalsContact O-N 3.14Å
138S98.8Very high96Very high70 Ų7053.5 Ų53.549%0.4932%0.318SS..EExtended strand (participates in β ladder)trans-157.6147.1-180-175.80000109.5S135S135-S138 CarbonylContact C-O 3.41Å; S135-S138 WeakPolarHBondContact CA-O 3.41Å; S135-S138 WeakPolarHBondContact CB-O 3.33Å; S135-S138 PolarHBondContact N-O 2.89Å; S135-S138 PolarHBondContact O-N 3.46Å
139Y98.8Very high94.5Very high71 Ų7159.2 Ų59.228%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-133.7154.7160.966.7-85.5000109H111 A114 L133H111-Y139 AromaticContact CD2-CE1 3.77Å; H111-Y139 AromaticContact NE2-CE1 3.92Å; A114-Y139 HydrophobicContact CB-CD1 3.89Å; A114-Y139 HydrophobicContact CB-CD2 3.79Å; A114-Y139 HydrophobicContact CB-CE1 3.88Å; A114-Y139 HydrophobicContact CB-CE2 3.77Å; A114-Y139 HydrophobicContact CB-CG 3.85Å; L133-Y139 CarbonylContact O-C 3.6Å; L133-Y139 VanDerWaalsContact O-CA 3.25Å; L133-Y139 WeakPolarHBondContact O-CA 3.38Å
140S98.8Very high92.3Very high65 Ų6570.8 Ų70.846%0.45540%0.398SS..EExtended strand (participates in β ladder)trans-118.5149163.465.20000109.1A132 L133A132-S140 CarbonylContact C-O 3.59Å; A132-S140 WeakPolarHBondContact CA-O 3.37Å; L133-S140 PolarHBondContact N-O 2.79Å; L133-S140 PolarHBondContact O-N 3.36Å
141T98.8Very high92Very high62 Ų6274.2 Ų74.238%0.3842%0.417SS..EExtended strand (participates in β ladder)trans-131.8145.9175.5-175.30000110.1V116 A131V116-T141 HydrophobicContact CG2-CG2 4Å; V116-T141 VanDerWaalsContact CG2-OG1 3.26Å; V116-T141 WeakPolarHBondContact CG2-OG1 3.23Å; A131-T141 CarbonylContact O-C 3.47Å; A131-T141 VanDerWaalsContact O-CA 3.22Å; A131-T141 WeakPolarHBondContact O-CA 3.46Å; A131-T141 PolarHBondContact O-OG1 2.88Å; A131-T141 VanDerWaalsContact O-OG1 3.06Å
142T98.6Very high91.7Very high89 Ų8976.8 Ų76.855%0.54643%0.428SS..EExtended strand (participates in β ladder)trans-143.5160.5174-169.20000109.5A131A131-T142 HydrophobicContact CB-CG2 3.85Å; A131-T142 PolarHBondContact N-O 2.93Å; A131-T142 PolarHBondContact O-N 2.81Å
143A98Very high91.3Very high54 Ų5480.8 Ų80.845%0.44645%0.45SS..EExtended strand (participates in β ladder)trans-120.8136175.100000109.8T129 I130 V145T129-A143 WeakPolarHBondContact O-CA 3.45Å; I130-A143 HydrophobicContact CD1-CB 4.03Å; A143-V145 HydrophobicContact CB-CG2 4.38Å
144V96.6Very high90.9Very high89 Ų8981.2 Ų81.254%0.53945%0.454SS..EExtended strand (participates in β ladder)trans-106.6123.8162.3-176.20000106.6T129T129-V144 PolarHBondContact N-O 2.85Å; T129-V144 PolarHBondContact O-N 2.81Å
145V94.6Very high90.4Very high64 Ų6486.3 Ų86.339%0.38848%0.482SS..EExtended strand (participates in β ladder)trans-121.8126.3-179.3-172.60000108R126 H127 Y128 A143R126-V145 HydrophobicContact CB-CG1 3.93Å; R126-V145 HydrophobicContact CG-CG1 4.42Å; H127-V145 WeakPolarHBondContact O-CA 3.33Å; Y128-V145 HydrophobicContact CD1-CG1 4.17Å; Y128-V145 HydrophobicContact CD1-CG2 3.69Å; Y128-V145 HydrophobicContact CE1-CG1 3.89Å; Y128-V145 HydrophobicContact CE1-CG2 3.86Å; A143-V145 HydrophobicContact CB-CG2 4.38Å
146S90.4Very high89.8Confident41 Ų4189.3 Ų89.329%0.28750%0.495SS..EExtended strand (participates in β ladder)trans-128.5152178.455.40000110.7R126 H127R126-S146 WeakPolarHBondContact CA-O 3.39Å; H127-S146 PolarHBondContact N-O 2.82Å; H127-S146 PolarHBondContact O-N 2.96Å
147D87.2Confident89.2Confident120 Ų12094.1 Ų94.164%0.64252%0.52SS*.PPolyproline II helixtrans-68152.4168.2-60.1-41.6000109.7Q149D147-Q149 PolarHBondContact O-N 3.31Å
148P73.2Confident88.4Confident55 Ų5590.5 Ų90.536%0.35751%0.513SS..PPolyproline II helixtrans-57.9130174.5-18.231000108.9H125 E150H125-P148 HydrophobicContact CB-CG 4.3Å; H125-P148 WeakPolarHBondContact O-CD 3.21Å; H125-P148 WeakPolarHBondContact O-CG 3.34Å; P148-E150 PolarHBondContact O-N 2.8Å
149Q64.3Low87.6Confident129 Ų12992.3 Ų92.360%0.60351%0.514SS*.PPolyproline II helixtrans-77.2123.6171.2-65.5-165.2-3.500108.6D147D147-Q149 PolarHBondContact O-N 3.31Å
150E51.9Low86.6Confident268 Ų26894.2 Ų94.2100%1.25254%0.536SS*.  trans-590170.1-71.2-173.4168.200112.6P148P148-E150 PolarHBondContact O-N 2.8Å

Retrieved 150 of 150 residues in 31.4 ms (Link to these results)