A0A077Z2E6_TRITR Loading...

PDZ domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2E6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.9Very low61.8Low226 Ų226122.9 Ų122.9100%1.11373%0.731SS**  0129.40-71.2-175.2-176.200107.8F3M1-F3 PolarHBondContact O-N 3.49Å
2A43.2Very low61.7Low77 Ų77124.7 Ų124.764%0.63672%0.722SS**  trans-71.4112.9175.100000108.5Y4 A5A2-Y4 PolarHBondContact O-N 3.07Å; A2-A5 PolarHBondContact O-N 2.93Å; A2-A5 VanDerWaalsContact O-N 3.09Å
3F52.9Low61.8Low204 Ų204130 Ų13090%0.89573%0.732SS**THydrogen-bonded Turntrans-62-0.4177.3-78.4-88.6000113.9M1M1-F3 PolarHBondContact O-N 3.49Å
4Y55.2Low61.7Low216 Ų216127.9 Ų127.985%0.84773%0.728SS**THydrogen-bonded Turntrans-106.311.1177.1-56.8-76.7000113.3A2 H6A2-Y4 PolarHBondContact O-N 3.07Å; Y4-H6 PolarHBondContact O-N 2.88Å
5A59.5Low62.7Low91 Ų91123.9 Ų123.975%0.75271%0.707SS**  trans-68.4127.4172.700000110A2A2-A5 PolarHBondContact O-N 2.93Å; A2-A5 VanDerWaalsContact O-N 3.09Å
6H64.1Low64.1Low64 Ų64119.1 Ų119.130%0.29668%0.683SS.*  trans-134131.9179.8176.8-94.5000110.7Y4 A8 V10 F12Y4-H6 PolarHBondContact O-N 2.88Å; H6-A8 PolarHBondContact O-N 3.38Å; H6-V10 PolarHBondContact CE1-O 3.37Å; H6-V10 PolarHBondContact NE2-O 2.92Å; H6-F12 HydrophobicContact CB-CD1 3.92Å; H6-F12 HydrophobicContact CB-CE1 3.17Å; H6-F12 HydrophobicContact CB-CE2 4.17Å; H6-F12 HydrophobicContact CB-CZ 3.31Å; H6-F12 AromaticContact CD2-CD1 3.27Å; H6-F12 WeakPolarHBondContact CD2-CD1 3.46Å; H6-F12 AromaticContact CD2-CD2 3.49Å; H6-F12 VanDerWaalsContact CD2-CD2 3.49Å; H6-F12 WeakPolarHBondContact CD2-CD2 3.08Å; H6-F12 AromaticContact CD2-CE1 3.4Å; H6-F12 WeakPolarHBondContact CD2-CE1 3.46Å; H6-F12 AromaticContact CD2-CE2 3.58Å; H6-F12 AromaticContact CD2-CG 3.33Å; H6-F12 WeakPolarHBondContact CD2-CG 3.39Å; H6-F12 AromaticContact CD2-CZ 3.55Å; H6-F12 AromaticContact CE1-CD2 3.63Å; H6-F12 AromaticContact CE1-CE2 3.43Å; H6-F12 VanDerWaalsContact CE1-CE2 3.43Å; H6-F12 WeakPolarHBondContact CE1-CE2 3.35Å; H6-F12 AromaticContact CE1-CZ 3.93Å; H6-F12 AromaticContact CG-CD1 3.68Å; H6-F12 AromaticContact CG-CD2 3.89Å; H6-F12 AromaticContact CG-CE1 3.25Å; H6-F12 AromaticContact CG-CE2 3.46Å; H6-F12 VanDerWaalsContact CG-CE2 3.46Å; H6-F12 AromaticContact CG-CG 3.99Å; H6-F12 AromaticContact CG-CZ 3.12Å; H6-F12 AromaticContact ND1-CD2 3.97Å; H6-F12 AromaticContact ND1-CE2 3.37Å; H6-F12 WeakPolarHBondContact ND1-CE2 3.37Å; H6-F12 AromaticContact ND1-CZ 3.41Å; H6-F12 WeakPolarHBondContact ND1-CZ 3.38Å; H6-F12 AromaticContact NE2-CD1 3.98Å; H6-F12 AromaticContact NE2-CD2 3.3Å; H6-F12 VanDerWaalsContact NE2-CD2 3.3Å; H6-F12 WeakPolarHBondContact NE2-CD2 3.39Å; H6-F12 AromaticContact NE2-CE2 3.56Å; H6-F12 AromaticContact NE2-CG 3.53Å; H6-F12 PolarHBondContact NE2-N 2.83Å
7T73.5Confident65.8Low102 Ų102115.3 Ų115.363%0.62666%0.66SS**  trans-78.1115.2174.5-55.20000108.8G9 V10T7-G9 PolarHBondContact O-N 3.38Å; T7-V10 HydrophobicContact CG2-CG2 3.97Å; T7-V10 WeakPolarHBondContact O-CB 3.37Å; T7-V10 PolarHBondContact O-N 3.19Å
8A76.6Confident67.5Low95 Ų95114.7 Ų114.779%0.78566%0.661SS**THydrogen-bonded Turntrans-49.6130.4175.600000111.2H6H6-A8 PolarHBondContact O-N 3.38Å
9G76.8Confident69Low85 Ų85109.2 Ų109.288%0.87663%0.629SS**THydrogen-bonded Turntrans90-11.3-177.700000115.3T7T7-G9 PolarHBondContact O-N 3.38Å
10V72.6Confident70.5Confident82 Ų82107.4 Ų107.450%0.49762%0.619SS.*SBendtrans-86.8150.6168.3-175.20000108.6H6 T7H6-V10 PolarHBondContact CE1-O 3.37Å; H6-V10 PolarHBondContact NE2-O 2.92Å; T7-V10 HydrophobicContact CG2-CG2 3.97Å; T7-V10 WeakPolarHBondContact O-CB 3.37Å; T7-V10 PolarHBondContact O-N 3.19Å
11P63.7Low71.8Confident110 Ų110102.2 Ų102.271%0.71459%0.59SS**PPolyproline II helixtrans-71.2135.6170.3-18.431.7000110.9K13P11-K13 PolarHBondContact O-N 2.79Å
12F60.5Low74.4Confident144 Ų14495.1 Ų95.163%0.63256%0.559SS**PPolyproline II helixtrans-63.4122.5166.2-77-90.9000108.8H6 C14H6-F12 HydrophobicContact CB-CD1 3.92Å; H6-F12 HydrophobicContact CB-CE1 3.17Å; H6-F12 HydrophobicContact CB-CE2 4.17Å; H6-F12 HydrophobicContact CB-CZ 3.31Å; H6-F12 AromaticContact CD2-CD1 3.27Å; H6-F12 WeakPolarHBondContact CD2-CD1 3.46Å; H6-F12 AromaticContact CD2-CD2 3.49Å; H6-F12 VanDerWaalsContact CD2-CD2 3.49Å; H6-F12 WeakPolarHBondContact CD2-CD2 3.08Å; H6-F12 AromaticContact CD2-CE1 3.4Å; H6-F12 WeakPolarHBondContact CD2-CE1 3.46Å; H6-F12 AromaticContact CD2-CE2 3.58Å; H6-F12 AromaticContact CD2-CG 3.33Å; H6-F12 WeakPolarHBondContact CD2-CG 3.39Å; H6-F12 AromaticContact CD2-CZ 3.55Å; H6-F12 AromaticContact CE1-CD2 3.63Å; H6-F12 AromaticContact CE1-CE2 3.43Å; H6-F12 VanDerWaalsContact CE1-CE2 3.43Å; H6-F12 WeakPolarHBondContact CE1-CE2 3.35Å; H6-F12 AromaticContact CE1-CZ 3.93Å; H6-F12 AromaticContact CG-CD1 3.68Å; H6-F12 AromaticContact CG-CD2 3.89Å; H6-F12 AromaticContact CG-CE1 3.25Å; H6-F12 AromaticContact CG-CE2 3.46Å; H6-F12 VanDerWaalsContact CG-CE2 3.46Å; H6-F12 AromaticContact CG-CG 3.99Å; H6-F12 AromaticContact CG-CZ 3.12Å; H6-F12 AromaticContact ND1-CD2 3.97Å; H6-F12 AromaticContact ND1-CE2 3.37Å; H6-F12 WeakPolarHBondContact ND1-CE2 3.37Å; H6-F12 AromaticContact ND1-CZ 3.41Å; H6-F12 WeakPolarHBondContact ND1-CZ 3.38Å; H6-F12 AromaticContact NE2-CD1 3.98Å; H6-F12 AromaticContact NE2-CD2 3.3Å; H6-F12 VanDerWaalsContact NE2-CD2 3.3Å; H6-F12 WeakPolarHBondContact NE2-CD2 3.39Å; H6-F12 AromaticContact NE2-CE2 3.56Å; H6-F12 AromaticContact NE2-CG 3.53Å; H6-F12 PolarHBondContact NE2-N 2.83Å; F12-C14 PolarHBondContact O-N 2.65Å
13K63.4Low76.9Confident194 Ų19492 Ų9284%0.84353%0.531SS*.  trans-72.974.3163.8-77.6-171.4174.8-1750109.2P11 V15P11-K13 PolarHBondContact O-N 2.79Å; K13-V15 VanDerWaalsContact C-N 3.32Å; K13-V15 PolarHBondContact O-N 3.44Å; K13-V15 VanDerWaalsContact O-N 3.07Å
14C59.6Low78.8Confident101 Ų10184.2 Ų84.268%0.68250%0.502SS*.  trans-77.689.9169.2-164.60000107.9F12 S16F12-C14 PolarHBondContact O-N 2.65Å; C14-S16 PolarHBondContact O-N 2.74Å
15V76.5Confident80.5Confident68 Ų6877.4 Ų77.441%0.41248%0.479SS..  trans-73.2-16.1-179.8-66.50000112.3K13 A114 R115K13-V15 VanDerWaalsContact C-N 3.32Å; K13-V15 PolarHBondContact O-N 3.44Å; K13-V15 VanDerWaalsContact O-N 3.07Å; V15-A114 HydrophobicContact CG2-CB 4.48Å; V15-A114 CarbonylContact O-C 3.52Å; V15-A114 WeakPolarHBondContact O-CA 3.32Å; V15-R115 PolarHBondContact O-N 3.48Å
16S86Confident81.7Confident46 Ų4677.1 Ų77.132%0.32247%0.465SS..EExtended strand (participates in β ladder)trans-91.1112.2-173.5-58.70000112.3C14 V113C14-S16 PolarHBondContact O-N 2.74Å; S16-V113 CarbonylContact C-O 3.56Å; S16-V113 VanDerWaalsContact CA-O 3.23Å; S16-V113 WeakPolarHBondContact CA-O 3.24Å
17I92.8Very high82.8Confident55 Ų5578 Ų7828%0.28248%0.475SS..EExtended strand (participates in β ladder)trans-108.9121-177.5-54.7173.5000108.9I19 V113 R115I17-I19 HydrophobicContact CG2-CD1 4.42Å; I17-I19 HydrophobicContact CG2-CG1 4.03Å; I17-V113 HydrophobicContact CB-CG2 3.96Å; I17-V113 PolarHBondContact N-O 2.62Å; I17-V113 PolarHBondContact O-N 2.95Å; I17-R115 HydrophobicContact CD1-CB 3.72Å; I17-R115 HydrophobicContact CD1-CG 4.41Å
18P95.7Very high83.5Confident105 Ų10576.4 Ų76.468%0.68246%0.462SS*.EExtended strand (participates in β ladder)trans-75.9129.3170.930.3-32.1000110.1M111P18-M111 CarbonylContact C-O 3.41Å; P18-M111 WeakPolarHBondContact CA-O 3.43Å
19I96.7Very high84.1Confident10 Ų1077.6 Ų77.65%0.05147%0.465CS..EExtended strand (participates in β ladder)trans-128.3137.1179.9-63.9-179.5000109.1I17 C75 L77 M111 V113I17-I19 HydrophobicContact CG2-CD1 4.42Å; I17-I19 HydrophobicContact CG2-CG1 4.03Å; I19-C75 HydrophobicContact CG2-CB 4.16Å; I19-C75 WeakPolarHBondContact CG2-SG 3.49Å; I19-L77 HydrophobicContact CD1-CB 4.34Å; I19-L77 HydrophobicContact CD1-CD1 3.8Å; I19-M111 HydrophobicContact CB-CB 4.5Å; I19-M111 HydrophobicContact CB-CE 4.17Å; I19-M111 HydrophobicContact CG2-CE 3.65Å; I19-M111 PolarHBondContact N-O 3.47Å; I19-M111 PolarHBondContact O-N 2.8Å; I19-V113 HydrophobicContact CD1-CG1 4.41Å; I19-V113 HydrophobicContact CD1-CG2 3.62Å; I19-V113 HydrophobicContact CG1-CG2 4.27Å
20V98Very high84.6Confident72 Ų7280.3 Ų80.344%0.43646%0.459SS..EExtended strand (participates in β ladder)trans-115.9111.8172.9-177.30000108.8C75 R108 L109 K110V20-C75 WeakPolarHBondContact O-CB 3.37Å; V20-R108 HydrophobicContact CG1-CG 4.16Å; V20-L109 WeakPolarHBondContact CA-O 3.42Å; V20-K110 HydrophobicContact CG2-CG 4.37Å
21L98Very high85.2Confident0 Ų078.8 Ų78.80%046%0.46CS..EExtended strand (participates in β ladder)trans-101.9127.5176.1-174.9157.7000109.4K23 C37 F39 A72 R108 L109 M111L21-K23 HydrophobicContact CD2-CG 3.69Å; L21-C37 HydrophobicContact CD1-CB 4.33Å; L21-C37 HydrophobicContact CD2-CB 4.04Å; L21-F39 HydrophobicContact CD1-CD1 3.85Å; L21-F39 HydrophobicContact CD1-CE1 3.72Å; L21-A72 HydrophobicContact CD1-CB 3.81Å; L21-R108 CarbonylContact O-C 3.46Å; L21-R108 WeakPolarHBondContact O-CA 3.45Å; L21-L109 HydrophobicContact CB-CB 4.31Å; L21-L109 HydrophobicContact CD2-CD1 4.25Å; L21-L109 PolarHBondContact N-O 2.7Å; L21-L109 PolarHBondContact O-N 3.12Å; L21-M111 HydrophobicContact CB-CE 3.78Å; L21-M111 HydrophobicContact CD1-CE 4.16Å
22T97Very high86.1Confident77 Ų7779.4 Ų79.447%0.47245%0.454SS..EExtended strand (participates in β ladder)trans-108120.4167.6-58.20000107.8P71T22-P71 WeakPolarHBondContact O-CB 3.39Å
23K95.9Very high87.2Confident11 Ų1179 Ų795%0.04845%0.452CS..PPolyproline II helixtrans-68.3146.8-177.9-67.9178.1-175.1169.80111.2L21 Y35 K36 C37 L103 K104 N106 E107L21-K23 HydrophobicContact CD2-CG 3.69Å; K23-Y35 HydrophobicContact CB-CD1 4.17Å; K23-Y35 HydrophobicContact CD-CG 4.42Å; K23-K36 WeakPolarHBondContact CA-O 3.32Å; K23-K36 WeakPolarHBondContact CB-O 3.33Å; K23-C37 HydrophobicContact CD-CB 4.42Å; K23-C37 HydrophobicContact CG-CB 4.01Å; K23-L103 WeakPolarHBondContact CE-O 3.4Å; K23-L103 PolarHBondContact NZ-O 3.08Å; K23-K104 VanDerWaalsContact NZ-C 3.3Å; K23-K104 PolarHBondContact NZ-O 3.01Å; K23-N106 WeakPolarHBondContact CD-O 3.37Å; K23-N106 WeakPolarHBondContact CE-O 3.31Å; K23-N106 PolarHBondContact NZ-O 3.09Å; K23-E107 WeakPolarHBondContact CB-O 3.48Å; K23-E107 VanDerWaalsContact CG-O 3.23Å; K23-E107 WeakPolarHBondContact CG-O 3.47Å; K23-E107 PolarHBondContact N-O 3.18Å
24S93.3Very high88.2Confident41 Ų4172.2 Ų72.229%0.28743%0.426SS..EExtended strand (participates in β ladder)trans-72.9133.2166.857.90000109.5Y35 K36S24-Y35 CarbonylContact O-C 3.54Å; S24-Y35 WeakPolarHBondContact O-CA 3.47Å; S24-K36 PolarHBondContact N-O 3.41Å; S24-K36 PolarHBondContact O-N 3.17Å; S24-K36 PolarHBondContact OG-O 2.95Å; S24-K36 VanDerWaalsContact OG-O 3.09Å
25M89.6Confident89.6Confident72 Ų7272.4 Ų72.436%0.35541%0.413SS..EExtended strand (participates in β ladder)trans-88.3123.8169.8179.2159.8-7100109K33 T34 Y35M25-K33 HydrophobicContact CE-CB 4Å; M25-K33 HydrophobicContact CE-CD 4.03Å; M25-K33 HydrophobicContact CE-CG 4.33Å; M25-K33 HydrophobicContact CG-CB 4.27Å; M25-K33 HydrophobicContact CG-CG 4.29Å; M25-K33 HydrophobicContact SD-CB 3.89Å; M25-K33 HydrophobicContact SD-CD 3.43Å; M25-K33 WeakPolarHBondContact SD-CD 3.36Å; M25-K33 HydrophobicContact SD-CG 3.63Å; M25-T34 CarbonylContact C-O 3.56Å; M25-T34 WeakPolarHBondContact CA-O 3.36Å; M25-Y35 HydrophobicContact CE-CD1 3.84Å; M25-Y35 HydrophobicContact CE-CD2 4.43Å; M25-Y35 HydrophobicContact CE-CE1 3.07Å; M25-Y35 HydrophobicContact CE-CE2 3.76Å; M25-Y35 HydrophobicContact CE-CG 4.47Å; M25-Y35 WeakPolarHBondContact CE-OH 3.49Å
26N86.5Confident90.4Very high86 Ų8673.4 Ų73.446%0.4641%0.412SS..EExtended strand (participates in β ladder)trans-107.9145.3166.8-104.4-66.3000109.2K33 T34N26-K33 CarbonylContact O-C 3.5Å; N26-K33 WeakPolarHBondContact O-CA 3.46Å; N26-T34 WeakPolarHBondContact CB-OG1 3.35Å; N26-T34 PolarHBondContact N-O 3.23Å; N26-T34 PolarHBondContact O-N 2.79Å; N26-T34 PolarHBondContact O-OG1 2.82Å
27T87.2Confident90.8Very high83 Ų8372.6 Ų72.651%0.50941%0.406SS..EExtended strand (participates in β ladder)trans-112.2118.8172.2-53.40000107.3E32T27-E32 WeakPolarHBondContact CA-O 3.45Å
28N87.5Confident91Very high67 Ų6770.2 Ų70.236%0.35840%0.396SS..  trans-71.3170177.2-57.9-7.6000109.8D30 G31 E32 T34N28-D30 PolarHBondContact O-N 3.35Å; N28-G31 PolarHBondContact O-N 3.42Å; N28-E32 PolarHBondContact N-O 2.99Å; N28-T34 WeakPolarHBondContact ND2-CG2 3.08Å; N28-T34 PolarHBondContact OD1-OG1 3.19Å
29S88.2Confident91.1Very high120 Ų12066.2 Ų66.284%0.83937%0.368SS*.THydrogen-bonded Turntrans-53.8-28.917747.40000113.7G31S29-G31 PolarHBondContact O-N 2.92Å
30D88Confident91.1Very high142 Ų14273.4 Ų73.476%0.75939%0.394SS*.THydrogen-bonded Turntrans-84.65.2-179-53.3-32.4000112.9N28 E32N28-D30 PolarHBondContact O-N 3.35Å; D30-E32 PolarHBondContact O-N 3.07Å
31G84.7Confident91.1Very high51 Ų5171.1 Ų71.153%0.52638%0.379SS..SBendtrans79.20.7-176.200000114.2N28 S29 K33N28-G31 PolarHBondContact O-N 3.42Å; S29-G31 PolarHBondContact O-N 2.92Å; G31-K33 PolarHBondContact O-N 2.81Å
32E83.8Confident91Very high123 Ų12371.8 Ų71.858%0.57539%0.386SS*.  trans-71.2127.5178.8-165.8-177.1-179.200111.1T27 N28 D30T27-E32 WeakPolarHBondContact CA-O 3.45Å; N28-E32 PolarHBondContact N-O 2.99Å; D30-E32 PolarHBondContact O-N 3.07Å
33K83.3Confident91Very high136 Ų13669 Ų6959%0.59137%0.373SS*.EExtended strand (participates in β ladder)trans-84.8115.3177.8-71.4172.4166.4-1700110.3M25 N26 G31M25-K33 HydrophobicContact CE-CB 4Å; M25-K33 HydrophobicContact CE-CD 4.03Å; M25-K33 HydrophobicContact CE-CG 4.33Å; M25-K33 HydrophobicContact CG-CB 4.27Å; M25-K33 HydrophobicContact CG-CG 4.29Å; M25-K33 HydrophobicContact SD-CB 3.89Å; M25-K33 HydrophobicContact SD-CD 3.43Å; M25-K33 WeakPolarHBondContact SD-CD 3.36Å; M25-K33 HydrophobicContact SD-CG 3.63Å; N26-K33 CarbonylContact O-C 3.5Å; N26-K33 WeakPolarHBondContact O-CA 3.46Å; G31-K33 PolarHBondContact O-N 2.81Å
34T85Confident91.1Very high50 Ų5068.5 Ų68.531%0.30737%0.371SS..EExtended strand (participates in β ladder)trans-105.9142.3172.561.90000110.5M25 N26 N28M25-T34 CarbonylContact C-O 3.56Å; M25-T34 WeakPolarHBondContact CA-O 3.36Å; N26-T34 WeakPolarHBondContact CB-OG1 3.35Å; N26-T34 PolarHBondContact N-O 3.23Å; N26-T34 PolarHBondContact O-N 2.79Å; N26-T34 PolarHBondContact O-OG1 2.82Å; N28-T34 WeakPolarHBondContact ND2-CG2 3.08Å; N28-T34 PolarHBondContact OD1-OG1 3.19Å
35Y88.2Confident91.3Very high105 Ų10570.8 Ų70.841%0.41238%0.379SS..EExtended strand (participates in β ladder)trans-105123.1174.5-63.6-90.9000110.2K23 S24 M25 E107K23-Y35 HydrophobicContact CB-CD1 4.17Å; K23-Y35 HydrophobicContact CD-CG 4.42Å; S24-Y35 CarbonylContact O-C 3.54Å; S24-Y35 WeakPolarHBondContact O-CA 3.47Å; M25-Y35 HydrophobicContact CE-CD1 3.84Å; M25-Y35 HydrophobicContact CE-CD2 4.43Å; M25-Y35 HydrophobicContact CE-CE1 3.07Å; M25-Y35 HydrophobicContact CE-CE2 3.76Å; M25-Y35 HydrophobicContact CE-CG 4.47Å; M25-Y35 WeakPolarHBondContact CE-OH 3.49Å; Y35-E107 HydrophobicContact CD1-CB 4.16Å; Y35-E107 HydrophobicContact CD1-CG 3.96Å; Y35-E107 HydrophobicContact CE1-CB 3.73Å; Y35-E107 HydrophobicContact CE1-CG 3.55Å
36K92.4Very high91.6Very high89 Ų8970.9 Ų70.939%0.38738%0.381SS..EExtended strand (participates in β ladder)trans-110.2126.7178-170.1-177.1-177.2-163.40110.1K23 S24 E67K23-K36 WeakPolarHBondContact CA-O 3.32Å; K23-K36 WeakPolarHBondContact CB-O 3.33Å; S24-K36 PolarHBondContact N-O 3.41Å; S24-K36 PolarHBondContact O-N 3.17Å; S24-K36 PolarHBondContact OG-O 2.95Å; S24-K36 VanDerWaalsContact OG-O 3.09Å; K36-E67 WeakPolarHBondContact CE-OE2 3.15Å; K36-E67 IonicContact NZ-OE1 3.06Å; K36-E67 PolarHBondContact NZ-OE1 3.39Å; K36-E67 IonicContact NZ-OE2 2.62Å; K36-E67 PolarHBondContact NZ-OE2 3.15Å
37C95Very high92.1Very high29 Ų2971.3 Ų71.320%0.19638%0.38CS..  trans-90.8-23.4178.856.20000114.1L21 K23 F39 A72L21-C37 HydrophobicContact CD1-CB 4.33Å; L21-C37 HydrophobicContact CD2-CB 4.04Å; K23-C37 HydrophobicContact CD-CB 4.42Å; K23-C37 HydrophobicContact CG-CB 4.01Å; C37-F39 HydrophobicContact CB-CD1 3.63Å; C37-F39 HydrophobicContact CB-CE1 3.52Å; C37-F39 VanDerWaalsContact SG-CD1 3.55Å; C37-A72 WeakPolarHBondContact O-CB 3.42Å; C37-A72 PolarHBondContact O-N 3.44Å; C37-A72 VanDerWaalsContact O-N 3.07Å
38G96.3Very high92.4Very high6 Ų670.6 Ų70.66%0.06237%0.373CS..SBendtrans76.125.6179.400000114.6E67 A72G38-E67 WeakPolarHBondContact O-CB 3.44Å; G38-E67 PolarHBondContact O-N 3.4Å; G38-A72 WeakPolarHBondContact O-CB 3.11Å
39F97.9Very high92.5Very high20 Ų2068.9 Ų68.99%0.08837%0.366CS..EExtended strand (participates in β ladder)trans-145.8163.8171.573.9-80.2000111.9L21 C37 I41 V63 Y65 V66 A72 L77 I83 L103 L109L21-F39 HydrophobicContact CD1-CD1 3.85Å; L21-F39 HydrophobicContact CD1-CE1 3.72Å; C37-F39 HydrophobicContact CB-CD1 3.63Å; C37-F39 HydrophobicContact CB-CE1 3.52Å; C37-F39 VanDerWaalsContact SG-CD1 3.55Å; F39-I41 HydrophobicContact CD2-CG2 3.89Å; F39-I41 HydrophobicContact CE2-CG2 3.48Å; F39-I41 VanDerWaalsContact CE2-CG2 3.48Å; F39-V63 HydrophobicContact CB-CG1 4.34Å; F39-V63 HydrophobicContact CD2-CG1 4.34Å; F39-V63 HydrophobicContact CD2-CG2 4.25Å; F39-Y65 CarbonylContact C-O 3.57Å; F39-Y65 WeakPolarHBondContact CA-O 3.34Å; F39-Y65 VanDerWaalsContact CB-O 3.3Å; F39-Y65 WeakPolarHBondContact CB-O 3.44Å; F39-V66 HydrophobicContact CB-CG2 4.35Å; F39-A72 HydrophobicContact CB-CB 3.75Å; F39-A72 HydrophobicContact CD1-CB 3.9Å; F39-A72 HydrophobicContact CG-CB 4.21Å; F39-L77 HydrophobicContact CB-CD2 4.01Å; F39-L77 HydrophobicContact CD1-CD2 3.93Å; F39-L77 HydrophobicContact CD2-CD2 3.85Å; F39-L77 HydrophobicContact CE1-CD2 4.32Å; F39-L77 HydrophobicContact CE2-CD2 4.24Å; F39-L77 HydrophobicContact CG-CD2 3.67Å; F39-L77 HydrophobicContact CZ-CD2 4.46Å; F39-I83 HydrophobicContact CE2-CD1 4.09Å; F39-L103 HydrophobicContact CE2-CD1 4.06Å; F39-L103 HydrophobicContact CZ-CD1 3.98Å; F39-L103 HydrophobicContact CZ-CD2 4.06Å; F39-L109 HydrophobicContact CE1-CD1 4.37Å
40R97.7Very high92.7Very high162 Ų16270.1 Ų70.161%0.61136%0.363SS*.EExtended strand (participates in β ladder)trans-120.5155.5172.5-56.9177.4-170.7166.23.2109.9V63 T64 Y65R40-V63 WeakPolarHBondContact O-CA 3.3Å; R40-T64 PolarHBondContact O-N 3.35Å; R40-T64 PolarHBondContact O-OG1 2.85Å; R40-Y65 HydrophobicContact CG-CD1 4.19Å; R40-Y65 PolarHBondContact N-O 2.97Å
41I97.5Very high92.9Very high24 Ų2470.6 Ų70.612%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-118.5160.6175.462.6162000111.9F39 I61 Y62 T64 I83 A99 V100 L103F39-I41 HydrophobicContact CD2-CG2 3.89Å; F39-I41 HydrophobicContact CE2-CG2 3.48Å; F39-I41 VanDerWaalsContact CE2-CG2 3.48Å; I41-I61 HydrophobicContact CB-CG2 4.05Å; I41-I61 HydrophobicContact CD1-CG2 3.8Å; I41-I61 HydrophobicContact CG2-CG2 4.1Å; I41-Y62 CarbonylContact C-O 3.5Å; I41-Y62 WeakPolarHBondContact CA-O 3.47Å; I41-Y62 WeakPolarHBondContact CB-O 3.39Å; I41-T64 PolarHBondContact O-OG1 2.94Å; I41-I83 HydrophobicContact CG2-CD1 4.06Å; I41-A99 HydrophobicContact CD1-CB 3.7Å; I41-V100 HydrophobicContact CD1-CG2 3.84Å; I41-V100 HydrophobicContact CG1-CG2 4.14Å; I41-L103 HydrophobicContact CD1-CD1 3.9Å; I41-L103 HydrophobicContact CG1-CD1 4.48Å; I41-L103 HydrophobicContact CG2-CD1 3.89Å
42G96.6Very high93.1Very high13 Ų1369.4 Ų69.413%0.13434%0.344CS..EExtended strand (participates in β ladder)trans-141.1170.816900000110.6Y62G42-Y62 PolarHBondContact N-O 2.86Å; G42-Y62 PolarHBondContact O-N 2.73Å
43G96.7Very high93.5Very high20 Ų2069.2 Ų69.221%0.20635%0.353CS..EExtended strand (participates in β ladder)trans79.2-163.9-175.300000113.3G60 H96G43-G60 CarbonylContact C-O 3.44Å; G43-G60 WeakPolarHBondContact CA-O 3.17Å; G43-H96 VanDerWaalsContact O-CB 3.3Å; G43-H96 WeakPolarHBondContact O-CB 3.47Å; G43-H96 PolarHBondContact O-ND1 2.95Å
44G97.7Very high93.9Very high0 Ų066.9 Ų66.90%034%0.341CS..  trans118.9151.9-166.800000111.2D46 Q47 S59 G60 L94G44-D46 PolarHBondContact O-N 3.37Å; G44-D46 VanDerWaalsContact O-N 3.12Å; G44-Q47 WeakPolarHBondContact O-CB 3.17Å; G44-Q47 PolarHBondContact O-N 2.81Å; G44-S59 CarbonylContact C-O 3.54Å; G44-S59 VanDerWaalsContact CA-O 3.29Å; G44-S59 WeakPolarHBondContact CA-O 3.35Å; G44-S59 PolarHBondContact N-O 3.33Å; G44-G60 PolarHBondContact N-O 3.31Å; G44-G60 VanDerWaalsContact N-O 3.16Å; G44-L94 CarbonylContact C-O 3.57Å; G44-L94 VanDerWaalsContact CA-O 3.24Å; G44-L94 WeakPolarHBondContact CA-O 3.44Å
45I97.3Very high94.1Very high89 Ų8967 Ų6746%0.45635%0.353SS..THydrogen-bonded Turntrans-66.4-14-175.766.4170.6000114.1S59 L93 L94 T95I45-S59 PolarHBondContact N-O 2.81Å; I45-L93 HydrophobicContact CG2-CB 4.48Å; I45-L93 HydrophobicContact CG2-CD2 4.27Å; I45-L94 PolarHBondContact N-O 3.45Å; I45-T95 HydrophobicContact CD1-CG2 4.2Å; I45-T95 HydrophobicContact CG1-CG2 3.82Å
46D96.9Very high94.3Very high74 Ų7462.7 Ų62.740%0.39634%0.336SS..THydrogen-bonded Turntrans-91.71.5174.761.5-41.4000112.8G44 T95 H96G44-D46 PolarHBondContact O-N 3.37Å; G44-D46 VanDerWaalsContact O-N 3.12Å; D46-T95 HydrophobicContact CB-CG2 4.03Å; D46-T95 WeakPolarHBondContact OD1-CA 3.31Å; D46-T95 WeakPolarHBondContact OD1-CB 3.42Å; D46-H96 PolarHBondContact OD1-N 2.79Å
47Q95.4Very high94.1Very high95 Ų9563.8 Ų63.844%0.44435%0.352SS..SBendtrans-114.4143.4178.5-55.9-62.3-51.300109.9G44 P49 H96G44-Q47 WeakPolarHBondContact O-CB 3.17Å; G44-Q47 PolarHBondContact O-N 2.81Å; Q47-P49 WeakPolarHBondContact O-CD 3.47Å; Q47-H96 HydrophobicContact CG-CB 4.06Å
48D93.8Very high94Very high68 Ų6865.2 Ų65.236%0.36436%0.358SS..  trans-78.1115.5171.5-178.9-1.8000109.4N50 Q51D48-N50 PolarHBondContact O-N 2.95Å; D48-N50 WeakPolarHBondContact OD1-CB 3.23Å; D48-N50 PolarHBondContact OD1-N 3.31Å; D48-N50 PolarHBondContact OD1-ND2 2.88Å; D48-Q51 HydrophobicContact CB-CB 4.33Å; D48-Q51 HydrophobicContact CB-CG 3.93Å; D48-Q51 WeakPolarHBondContact O-CB 3.47Å; D48-Q51 PolarHBondContact O-N 3.45Å; D48-Q51 PolarHBondContact OD2-NE2 2.98Å
49P89.8Confident94Very high31 Ų3166.9 Ų66.920%0.20137%0.369CS..G310 helixtrans-61.8-26.8-178.925.2-33.5000112.6Q47 Q51 S52Q47-P49 WeakPolarHBondContact O-CD 3.47Å; P49-Q51 PolarHBondContact O-N 3.27Å; P49-S52 VanDerWaalsContact O-CB 3.29Å; P49-S52 WeakPolarHBondContact O-CB 3.02Å; P49-S52 PolarHBondContact O-N 2.98Å; P49-S52 VanDerWaalsContact O-N 3.11Å
50N91.8Very high93.9Very high145 Ų14566.1 Ų66.178%0.77537%0.366SS*.G310 helixtrans-70-16177.2-56.3-65.6000113D48D48-N50 PolarHBondContact O-N 2.95Å; D48-N50 WeakPolarHBondContact OD1-CB 3.23Å; D48-N50 PolarHBondContact OD1-N 3.31Å; D48-N50 PolarHBondContact OD1-ND2 2.88Å
51Q92Very high93.9Very high152 Ų15258.4 Ų58.471%0.7134%0.337SS*.G310 helixtrans-91.5-3.9175.6-62.9179.438.100112.3D48 P49D48-Q51 HydrophobicContact CB-CB 4.33Å; D48-Q51 HydrophobicContact CB-CG 3.93Å; D48-Q51 WeakPolarHBondContact O-CB 3.47Å; D48-Q51 PolarHBondContact O-N 3.45Å; D48-Q51 PolarHBondContact OD2-NE2 2.98Å; P49-Q51 PolarHBondContact O-N 3.27Å
52S89.6Confident93.9Very high27 Ų2758 Ų5819%0.18933%0.334CS..  trans-66.4127.8172.2177.70000109.9P49 Y54 G55 Y56P49-S52 VanDerWaalsContact O-CB 3.29Å; P49-S52 WeakPolarHBondContact O-CB 3.02Å; P49-S52 PolarHBondContact O-N 2.98Å; P49-S52 VanDerWaalsContact O-N 3.11Å; S52-Y54 PolarHBondContact O-N 3.34Å; S52-Y54 PolarHBondContact OG-N 2.85Å; S52-G55 PolarHBondContact O-N 3.24Å; S52-G55 VanDerWaalsContact O-N 3.15Å; S52-Y56 WeakPolarHBondContact OG-CD2 3.45Å; S52-Y56 WeakPolarHBondContact OG-CE2 3.41Å
53P91.6Very high93.9Very high118 Ų11857.3 Ų57.377%0.76633%0.328SS*.THydrogen-bonded Turntrans-64.3-11.9175.228.1-35.1000113
54Y92Very high93.9Very high87 Ų8757.4 Ų57.434%0.34132%0.324SS..THydrogen-bonded Turntrans-102.52-179.2-54.2-65.4000113.8S52 Y56 T64 M79 H80S52-Y54 PolarHBondContact O-N 3.34Å; S52-Y54 PolarHBondContact OG-N 2.85Å; Y54-Y56 AromaticContact CD2-CE2 3.82Å; Y54-Y56 HydrophobicContact CD2-CE2 3.82Å; Y54-Y56 AromaticContact CD2-CZ 3.85Å; Y54-Y56 HydrophobicContact CG-CE2 4.32Å; Y54-Y56 PolarHBondContact O-N 2.66Å; Y54-T64 HydrophobicContact CD2-CG2 3.96Å; Y54-T64 HydrophobicContact CE2-CG2 3.69Å; Y54-T64 PolarHBondContact OH-O 2.86Å; Y54-M79 HydrophobicContact CD1-CE 3.97Å; Y54-M79 HydrophobicContact CE1-CE 3.27Å; Y54-M79 HydrophobicContact CE2-CE 4.36Å; Y54-M79 VanDerWaalsContact CZ-CE 3.49Å; Y54-H80 AromaticContact CD1-CE1 3.8Å
55G90.4Very high93.8Very high54 Ų5461.6 Ų61.656%0.55734%0.341SS*.  trans59.241.4176.900000114.1S52S52-G55 PolarHBondContact O-N 3.24Å; S52-G55 VanDerWaalsContact O-N 3.15Å
56Y90.9Very high93.9Very high14 Ų1458.4 Ų58.46%0.05533%0.325CS..  trans-61.6141.1178.5-65-53000110.9S52 Y54 D58 Y62 V63 T64 H80S52-Y56 WeakPolarHBondContact OG-CD2 3.45Å; S52-Y56 WeakPolarHBondContact OG-CE2 3.41Å; Y54-Y56 AromaticContact CD2-CE2 3.82Å; Y54-Y56 HydrophobicContact CD2-CE2 3.82Å; Y54-Y56 AromaticContact CD2-CZ 3.85Å; Y54-Y56 HydrophobicContact CG-CE2 4.32Å; Y54-Y56 PolarHBondContact O-N 2.66Å; Y56-D58 VanDerWaalsContact C-N 3.26Å; Y56-D58 PolarHBondContact O-N 2.71Å; Y56-Y62 AromaticContact CD1-CD1 3.5Å; Y56-Y62 HydrophobicContact CD1-CD1 3.5Å; Y56-Y62 AromaticContact CD1-CD2 3.96Å; Y56-Y62 HydrophobicContact CD1-CD2 3.96Å; Y56-Y62 AromaticContact CD1-CE1 3.79Å; Y56-Y62 HydrophobicContact CD1-CE1 3.79Å; Y56-Y62 HydrophobicContact CD1-CE2 4.24Å; Y56-Y62 AromaticContact CD1-CG 3.59Å; Y56-Y62 HydrophobicContact CD1-CG 3.59Å; Y56-Y62 AromaticContact CD2-CD2 3.7Å; Y56-Y62 HydrophobicContact CD2-CD2 3.7Å; Y56-Y62 HydrophobicContact CD2-CE2 4.37Å; Y56-Y62 AromaticContact CD2-CG 3.83Å; Y56-Y62 HydrophobicContact CD2-CG 3.83Å; Y56-Y62 AromaticContact CE1-CD1 3.56Å; Y56-Y62 HydrophobicContact CE1-CD1 3.56Å; Y56-Y62 HydrophobicContact CE1-CD2 4.38Å; Y56-Y62 HydrophobicContact CE1-CE1 4.27Å; Y56-Y62 AromaticContact CE1-CG 3.62Å; Y56-Y62 HydrophobicContact CE1-CG 3.62Å; Y56-Y62 VanDerWaalsContact CE2-CB 3.49Å; Y56-Y62 HydrophobicContact CE2-CD2 4.17Å; Y56-Y62 AromaticContact CE2-CG 3.88Å; Y56-Y62 HydrophobicContact CE2-CG 3.88Å; Y56-Y62 HydrophobicContact CG-CD1 4.06Å; Y56-Y62 AromaticContact CG-CD2 3.62Å; Y56-Y62 HydrophobicContact CG-CD2 3.62Å; Y56-Y62 HydrophobicContact CG-CE1 4.28Å; Y56-Y62 AromaticContact CG-CE2 3.89Å; Y56-Y62 HydrophobicContact CG-CE2 3.89Å; Y56-Y62 AromaticContact CG-CG 3.72Å; Y56-Y62 HydrophobicContact CG-CG 3.72Å; Y56-Y62 AromaticContact CZ-CG 3.78Å; Y56-V63 PolarHBondContact OH-O 2.75Å; Y56-T64 HydrophobicContact CE2-CG2 4.06Å; Y56-H80 AromaticContact CE1-ND1 3.55Å; Y56-H80 AromaticContact CZ-ND1 3.95Å
57P89.4Confident93.9Very high112 Ų11257.6 Ų57.673%0.72732%0.319SS*.SBendtrans-75-12.7-170.830.3-37.2000114.1
58D93.5Very high94Very high59 Ų5957.9 Ų57.932%0.31633%0.329SS..SBendtrans-154.3173.8-176.461.440.2000112.3Y56 G60 Y62 K82Y56-D58 VanDerWaalsContact C-N 3.26Å; Y56-D58 PolarHBondContact O-N 2.71Å; D58-G60 PolarHBondContact O-N 3.36Å; D58-G60 VanDerWaalsContact O-N 3.11Å; D58-G60 WeakPolarHBondContact OD1-CA 3.41Å; D58-G60 PolarHBondContact OD1-N 2.71Å; D58-Y62 VanDerWaalsContact CG-OH 3.26Å; D58-Y62 WeakPolarHBondContact OD1-CE2 3.13Å; D58-Y62 PolarHBondContact OD1-OH 2.81Å; D58-Y62 PolarHBondContact OD2-OH 3.06Å; D58-K82 WeakPolarHBondContact OD1-CE 3.38Å; D58-K82 IonicContact OD1-NZ 2.73Å; D58-K82 PolarHBondContact OD1-NZ 2.9Å; D58-K82 IonicContact OD2-NZ 3.69Å; D58-K82 PolarHBondContact OD2-NZ 3.01Å
59S94.4Very high94.1Very high41 Ų4157.1 Ų57.129%0.28734%0.338SS..SBendtrans-78.824.9178.7-54.20000114.4G44 I45G44-S59 CarbonylContact C-O 3.54Å; G44-S59 VanDerWaalsContact CA-O 3.29Å; G44-S59 WeakPolarHBondContact CA-O 3.35Å; G44-S59 PolarHBondContact N-O 3.33Å; I45-S59 PolarHBondContact N-O 2.81Å
60G96.2Very high94.4Very high3 Ų356 Ų563%0.03133%0.331CS..  trans-68.8174.1175.800000113.9G43 G44 D58 Y62G43-G60 CarbonylContact C-O 3.44Å; G43-G60 WeakPolarHBondContact CA-O 3.17Å; G44-G60 PolarHBondContact N-O 3.31Å; G44-G60 VanDerWaalsContact N-O 3.16Å; D58-G60 PolarHBondContact O-N 3.36Å; D58-G60 VanDerWaalsContact O-N 3.11Å; D58-G60 WeakPolarHBondContact OD1-CA 3.41Å; D58-G60 PolarHBondContact OD1-N 2.71Å; G60-Y62 VanDerWaalsContact O-CD2 3.32Å; G60-Y62 WeakPolarHBondContact O-CD2 3.49Å
61I98Very high94.7Very high1 Ų150 Ų501%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-91.8118.4172.9-57.6-60.6000109.2I41 K82 I83 F91 A99I41-I61 HydrophobicContact CB-CG2 4.05Å; I41-I61 HydrophobicContact CD1-CG2 3.8Å; I41-I61 HydrophobicContact CG2-CG2 4.1Å; I61-K82 CarbonylContact O-C 3.57Å; I61-K82 WeakPolarHBondContact O-CA 3.3Å; I61-I83 HydrophobicContact CB-CB 4.42Å; I61-I83 HydrophobicContact CG2-CB 4.27Å; I61-I83 HydrophobicContact CG2-CD1 4.1Å; I61-I83 HydrophobicContact CG2-CG1 4.41Å; I61-I83 PolarHBondContact O-N 3.3Å; I61-F91 HydrophobicContact CG1-CD1 4.44Å; I61-A99 HydrophobicContact CD1-CB 3.56Å; I61-A99 HydrophobicContact CG1-CB 3.85Å; I61-A99 HydrophobicContact CG2-CB 4.31Å
62Y96.8Very high95Very high14 Ų1442.8 Ų42.86%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-118.2146.2-178.1-67.4-93.1000111.7I41 G42 Y56 D58 G60 T64 D81 K82I41-Y62 CarbonylContact C-O 3.5Å; I41-Y62 WeakPolarHBondContact CA-O 3.47Å; I41-Y62 WeakPolarHBondContact CB-O 3.39Å; G42-Y62 PolarHBondContact N-O 2.86Å; G42-Y62 PolarHBondContact O-N 2.73Å; Y56-Y62 AromaticContact CD1-CD1 3.5Å; Y56-Y62 HydrophobicContact CD1-CD1 3.5Å; Y56-Y62 AromaticContact CD1-CD2 3.96Å; Y56-Y62 HydrophobicContact CD1-CD2 3.96Å; Y56-Y62 AromaticContact CD1-CE1 3.79Å; Y56-Y62 HydrophobicContact CD1-CE1 3.79Å; Y56-Y62 HydrophobicContact CD1-CE2 4.24Å; Y56-Y62 AromaticContact CD1-CG 3.59Å; Y56-Y62 HydrophobicContact CD1-CG 3.59Å; Y56-Y62 AromaticContact CD2-CD2 3.7Å; Y56-Y62 HydrophobicContact CD2-CD2 3.7Å; Y56-Y62 HydrophobicContact CD2-CE2 4.37Å; Y56-Y62 AromaticContact CD2-CG 3.83Å; Y56-Y62 HydrophobicContact CD2-CG 3.83Å; Y56-Y62 AromaticContact CE1-CD1 3.56Å; Y56-Y62 HydrophobicContact CE1-CD1 3.56Å; Y56-Y62 HydrophobicContact CE1-CD2 4.38Å; Y56-Y62 HydrophobicContact CE1-CE1 4.27Å; Y56-Y62 AromaticContact CE1-CG 3.62Å; Y56-Y62 HydrophobicContact CE1-CG 3.62Å; Y56-Y62 VanDerWaalsContact CE2-CB 3.49Å; Y56-Y62 HydrophobicContact CE2-CD2 4.17Å; Y56-Y62 AromaticContact CE2-CG 3.88Å; Y56-Y62 HydrophobicContact CE2-CG 3.88Å; Y56-Y62 HydrophobicContact CG-CD1 4.06Å; Y56-Y62 AromaticContact CG-CD2 3.62Å; Y56-Y62 HydrophobicContact CG-CD2 3.62Å; Y56-Y62 HydrophobicContact CG-CE1 4.28Å; Y56-Y62 AromaticContact CG-CE2 3.89Å; Y56-Y62 HydrophobicContact CG-CE2 3.89Å; Y56-Y62 AromaticContact CG-CG 3.72Å; Y56-Y62 HydrophobicContact CG-CG 3.72Å; Y56-Y62 AromaticContact CZ-CG 3.78Å; D58-Y62 VanDerWaalsContact CG-OH 3.26Å; D58-Y62 WeakPolarHBondContact OD1-CE2 3.13Å; D58-Y62 PolarHBondContact OD1-OH 2.81Å; D58-Y62 PolarHBondContact OD2-OH 3.06Å; G60-Y62 VanDerWaalsContact O-CD2 3.32Å; G60-Y62 WeakPolarHBondContact O-CD2 3.49Å; Y62-T64 PolarHBondContact O-N 3.27Å; Y62-D81 CarbonylContact C-O 3.56Å; Y62-D81 WeakPolarHBondContact CA-O 3.11Å; Y62-K82 HydrophobicContact CD1-CB 3.84Å; Y62-K82 HydrophobicContact CD1-CG 4.19Å; Y62-K82 HydrophobicContact CE1-CB 3.59Å; Y62-K82 HydrophobicContact CE1-CD 4.02Å; Y62-K82 HydrophobicContact CE1-CG 3.78Å; Y62-K82 HydrophobicContact CE2-CG 4.37Å
63V97.2Very high95.4Very high0 Ų045 Ų450%028%0.276CS..EExtended strand (participates in β ladder)trans-76.1118.7169.8-1790000109.1F39 R40 Y56 V66 L77 K78 H80 D81 I83F39-V63 HydrophobicContact CB-CG1 4.34Å; F39-V63 HydrophobicContact CD2-CG1 4.34Å; F39-V63 HydrophobicContact CD2-CG2 4.25Å; R40-V63 WeakPolarHBondContact O-CA 3.3Å; Y56-V63 PolarHBondContact OH-O 2.75Å; V63-V66 HydrophobicContact CG1-CG2 3.59Å; V63-L77 HydrophobicContact CG1-CD2 4.33Å; V63-L77 HydrophobicContact CG2-CD1 4.06Å; V63-L77 HydrophobicContact CG2-CD2 3.86Å; V63-L77 HydrophobicContact CG2-CG 4.01Å; V63-K78 WeakPolarHBondContact CB-O 3.33Å; V63-K78 WeakPolarHBondContact CG1-O 3.41Å; V63-H80 PolarHBondContact O-N 3.39Å; V63-D81 HydrophobicContact CB-CB 4.39Å; V63-D81 HydrophobicContact CG2-CB 4.03Å; V63-D81 PolarHBondContact N-O 2.85Å; V63-I83 HydrophobicContact CG2-CD1 4.24Å; V63-I83 HydrophobicContact CG2-CG1 4.26Å
64T96.4Very high95.6Very high21 Ų2146 Ų4613%0.12927%0.274CS..EExtended strand (participates in β ladder)trans-102.9-12.6-176.551.60000113.4R40 I41 Y54 Y56 Y62 M79R40-T64 PolarHBondContact O-N 3.35Å; R40-T64 PolarHBondContact O-OG1 2.85Å; I41-T64 PolarHBondContact O-OG1 2.94Å; Y54-T64 HydrophobicContact CD2-CG2 3.96Å; Y54-T64 HydrophobicContact CE2-CG2 3.69Å; Y54-T64 PolarHBondContact OH-O 2.86Å; Y56-T64 HydrophobicContact CE2-CG2 4.06Å; Y62-T64 PolarHBondContact O-N 3.27Å; T64-M79 WeakPolarHBondContact O-CE 3.49Å
65Y97.1Very high95.9Very high89 Ų8943.5 Ų43.535%0.34927%0.269SS..EExtended strand (participates in β ladder)trans-162.9143.4176.8176.7-102.4000109.7F39 R40 E67F39-Y65 CarbonylContact C-O 3.57Å; F39-Y65 WeakPolarHBondContact CA-O 3.34Å; F39-Y65 VanDerWaalsContact CB-O 3.3Å; F39-Y65 WeakPolarHBondContact CB-O 3.44Å; R40-Y65 HydrophobicContact CG-CD1 4.19Å; R40-Y65 PolarHBondContact N-O 2.97Å; Y65-E67 HydrophobicContact CE1-CB 3.98Å
66V97.8Very high96.2Very high22 Ų2242.5 Ų42.513%0.13326%0.259CS..EExtended strand (participates in β ladder)trans-125.6128.4170.1177.90000107.6F39 V63 P68 A72 D73F39-V66 HydrophobicContact CB-CG2 4.35Å; V63-V66 HydrophobicContact CG1-CG2 3.59Å; V66-P68 WeakPolarHBondContact O-CD 3.44Å; V66-A72 HydrophobicContact CG1-CB 3.97Å; V66-D73 HydrophobicContact CG1-CB 3.75Å
67E97.6Very high96.4Very high56 Ų5642 Ų4226%0.26226%0.257SS..  trans-73.6119.2177.9-180172.7-12400109.9K36 G38 Y65 G69 G70 D73K36-E67 WeakPolarHBondContact CE-OE2 3.15Å; K36-E67 IonicContact NZ-OE1 3.06Å; K36-E67 PolarHBondContact NZ-OE1 3.39Å; K36-E67 IonicContact NZ-OE2 2.62Å; K36-E67 PolarHBondContact NZ-OE2 3.15Å; G38-E67 WeakPolarHBondContact O-CB 3.44Å; G38-E67 PolarHBondContact O-N 3.4Å; Y65-E67 HydrophobicContact CE1-CB 3.98Å; E67-G69 PolarHBondContact O-N 3.29Å; E67-G70 WeakPolarHBondContact O-CA 3.21Å; E67-G70 PolarHBondContact O-N 3.49Å; E67-D73 WeakPolarHBondContact O-CB 3.23Å
68P97.4Very high96.7Very high101 Ų10142.3 Ų42.366%0.65625%0.247SC*.THydrogen-bonded Turntrans-57.2131.2178.1-25.535.2000112V66 G70V66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-G70 PolarHBondContact O-N 3.49Å
69G96.5Very high96.8Very high53 Ų5342.9 Ų42.955%0.54625%0.249SC..THydrogen-bonded Turntrans70.2-0.3-175.100000114.9E67 D73E67-G69 PolarHBondContact O-N 3.29Å; G69-D73 PolarHBondContact N-OD2 3.26Å
70G96.6Very high96.8Very high6 Ų644 Ų446%0.06225%0.25CC..SBendtrans-77.1171.3176.300000112.8E67 P68 A72 D73 L74E67-G70 WeakPolarHBondContact O-CA 3.21Å; E67-G70 PolarHBondContact O-N 3.49Å; P68-G70 PolarHBondContact O-N 3.49Å; G70-A72 VanDerWaalsContact C-N 3.25Å; G70-A72 PolarHBondContact O-N 3.31Å; G70-D73 PolarHBondContact O-N 2.92Å; G70-D73 VanDerWaalsContact O-N 3.08Å; G70-L74 WeakPolarHBondContact O-CG 3.23Å; G70-L74 PolarHBondContact O-N 2.8Å
71P97.3Very high96.8Very high21 Ų2143.9 Ų43.914%0.13625%0.248CC..Hα-helixtrans-59.1-32.8-176.6-2635.2000114.9T22 C75T22-P71 WeakPolarHBondContact O-CB 3.39Å; P71-C75 WeakPolarHBondContact O-CB 3.3Å; P71-C75 PolarHBondContact O-N 2.84Å; P71-C75 VanDerWaalsContact O-N 3.17Å; P71-C75 PolarHBondContact O-SG 2.93Å; P71-C75 VanDerWaalsContact O-SG 3.41Å
72A98Very high96.7Very high0 Ų045.7 Ų45.70%026%0.256CS..Hα-helixtrans-69.4-41.3175.200000113.2L21 C37 G38 F39 V66 G70 C75 G76 L77L21-A72 HydrophobicContact CD1-CB 3.81Å; C37-A72 WeakPolarHBondContact O-CB 3.42Å; C37-A72 PolarHBondContact O-N 3.44Å; C37-A72 VanDerWaalsContact O-N 3.07Å; G38-A72 WeakPolarHBondContact O-CB 3.11Å; F39-A72 HydrophobicContact CB-CB 3.75Å; F39-A72 HydrophobicContact CD1-CB 3.9Å; F39-A72 HydrophobicContact CG-CB 4.21Å; V66-A72 HydrophobicContact CG1-CB 3.97Å; G70-A72 VanDerWaalsContact C-N 3.25Å; G70-A72 PolarHBondContact O-N 3.31Å; A72-C75 PolarHBondContact O-N 3.37Å; A72-C75 PolarHBondContact O-SG 2.91Å; A72-G76 PolarHBondContact O-N 2.78Å; A72-L77 HydrophobicContact CB-CB 4.19Å; A72-L77 HydrophobicContact CB-CD2 3.97Å; A72-L77 VanDerWaalsContact O-CB 3.31Å; A72-L77 WeakPolarHBondContact O-CB 3.43Å; A72-L77 PolarHBondContact O-N 2.76Å
73D97.9Very high96.7Very high73 Ų7345 Ų4539%0.3925%0.253SS..Hα-helixtrans-64.2-47.7176.6-171.230.4000110.3V66 E67 G69 G70 C75 G76V66-D73 HydrophobicContact CG1-CB 3.75Å; E67-D73 WeakPolarHBondContact O-CB 3.23Å; G69-D73 PolarHBondContact N-OD2 3.26Å; G70-D73 PolarHBondContact O-N 2.92Å; G70-D73 VanDerWaalsContact O-N 3.08Å; D73-C75 VanDerWaalsContact C-N 3.25Å; D73-C75 PolarHBondContact O-N 3.38Å; D73-G76 PolarHBondContact O-N 2.98Å
74L97.1Very high96.7Very high138 Ų13846.8 Ų46.872%0.72326%0.263SS*.Hα-helixtrans-62.2-28.8179.2-67.8177.6000113.7G70 G76G70-L74 WeakPolarHBondContact O-CG 3.23Å; G70-L74 PolarHBondContact O-N 2.8Å; L74-G76 VanDerWaalsContact C-N 3.33Å
75C97Very high96.8Very high35 Ų3549.6 Ų49.624%0.23627%0.274CS..THydrogen-bonded Turntrans-891.4175.977.90000113.8I19 V20 P71 A72 D73I19-C75 HydrophobicContact CG2-CB 4.16Å; I19-C75 WeakPolarHBondContact CG2-SG 3.49Å; V20-C75 WeakPolarHBondContact O-CB 3.37Å; P71-C75 WeakPolarHBondContact O-CB 3.3Å; P71-C75 PolarHBondContact O-N 2.84Å; P71-C75 VanDerWaalsContact O-N 3.17Å; P71-C75 PolarHBondContact O-SG 2.93Å; P71-C75 VanDerWaalsContact O-SG 3.41Å; A72-C75 PolarHBondContact O-N 3.37Å; A72-C75 PolarHBondContact O-SG 2.91Å; D73-C75 VanDerWaalsContact C-N 3.25Å; D73-C75 PolarHBondContact O-N 3.38Å
76G96.3Very high96.8Very high34 Ų3445.6 Ų45.635%0.35126%0.259SS..THydrogen-bonded Turntrans80.416.6176.800000114.7A72 D73 L74 R115A72-G76 PolarHBondContact O-N 2.78Å; D73-G76 PolarHBondContact O-N 2.98Å; L74-G76 VanDerWaalsContact C-N 3.33Å; G76-R115 PolarHBondContact O-NH2 2.79Å
77L96.9Very high96.8Very high2 Ų247.7 Ų47.71%0.0127%0.27CS..  trans-68.2136168-16871.8000108.7I19 F39 V63 A72 D81 M111 V113I19-L77 HydrophobicContact CD1-CB 4.34Å; I19-L77 HydrophobicContact CD1-CD1 3.8Å; F39-L77 HydrophobicContact CB-CD2 4.01Å; F39-L77 HydrophobicContact CD1-CD2 3.93Å; F39-L77 HydrophobicContact CD2-CD2 3.85Å; F39-L77 HydrophobicContact CE1-CD2 4.32Å; F39-L77 HydrophobicContact CE2-CD2 4.24Å; F39-L77 HydrophobicContact CG-CD2 3.67Å; F39-L77 HydrophobicContact CZ-CD2 4.46Å; V63-L77 HydrophobicContact CG1-CD2 4.33Å; V63-L77 HydrophobicContact CG2-CD1 4.06Å; V63-L77 HydrophobicContact CG2-CD2 3.86Å; V63-L77 HydrophobicContact CG2-CG 4.01Å; A72-L77 HydrophobicContact CB-CB 4.19Å; A72-L77 HydrophobicContact CB-CD2 3.97Å; A72-L77 VanDerWaalsContact O-CB 3.31Å; A72-L77 WeakPolarHBondContact O-CB 3.43Å; A72-L77 PolarHBondContact O-N 2.76Å; L77-D81 HydrophobicContact CD1-CB 4.25Å; L77-M111 HydrophobicContact CD1-CE 4Å; L77-M111 HydrophobicContact CD2-CE 4.3Å; L77-V113 HydrophobicContact CD1-CG1 3.95Å
78K95.8Very high96.7Very high119 Ų11947.8 Ų47.852%0.51729%0.285SS..  trans-120.5154.9-178.5-66.8-169.9-177.4-169.70111V63 D81V63-K78 WeakPolarHBondContact CB-O 3.33Å; V63-K78 WeakPolarHBondContact CG1-O 3.41Å; K78-D81 PolarHBondContact N-OD2 3.07Å; K78-D81 VanDerWaalsContact O-CB 3.31Å; K78-D81 WeakPolarHBondContact O-CB 3.29Å; K78-D81 VanDerWaalsContact O-CG 3.29Å; K78-D81 PolarHBondContact O-N 2.8Å
79M95.5Very high96.6Very high72 Ų7247.2 Ų47.236%0.35527%0.271SS..THydrogen-bonded Turntrans-56.2144165.9-168169.4166.700109.7Y54 T64 D81Y54-M79 HydrophobicContact CD1-CE 3.97Å; Y54-M79 HydrophobicContact CE1-CE 3.27Å; Y54-M79 HydrophobicContact CE2-CE 4.36Å; Y54-M79 VanDerWaalsContact CZ-CE 3.49Å; T64-M79 WeakPolarHBondContact O-CE 3.49Å; M79-D81 PolarHBondContact O-N 3.25Å
80H94.5Very high96.7Very high65 Ų6548.5 Ų48.530%0.30127%0.265SS..THydrogen-bonded Turntrans69.93.3-174.1-48.7-74000116.6Y54 Y56 V63 K82Y54-H80 AromaticContact CD1-CE1 3.8Å; Y56-H80 AromaticContact CE1-ND1 3.55Å; Y56-H80 AromaticContact CZ-ND1 3.95Å; V63-H80 PolarHBondContact O-N 3.39Å; H80-K82 PolarHBondContact O-N 2.84Å
81D95.4Very high96.7Very high0 Ų048.2 Ų48.20%026%0.262CS..PPolyproline II helixtrans-60.4129.1165.7-76.9-14000110Y62 V63 L77 K78 M79 V113 R115Y62-D81 CarbonylContact C-O 3.56Å; Y62-D81 WeakPolarHBondContact CA-O 3.11Å; V63-D81 HydrophobicContact CB-CB 4.39Å; V63-D81 HydrophobicContact CG2-CB 4.03Å; V63-D81 PolarHBondContact N-O 2.85Å; L77-D81 HydrophobicContact CD1-CB 4.25Å; K78-D81 PolarHBondContact N-OD2 3.07Å; K78-D81 VanDerWaalsContact O-CB 3.31Å; K78-D81 WeakPolarHBondContact O-CB 3.29Å; K78-D81 VanDerWaalsContact O-CG 3.29Å; K78-D81 PolarHBondContact O-N 2.8Å; M79-D81 PolarHBondContact O-N 3.25Å; D81-V113 HydrophobicContact CB-CB 4.05Å; D81-V113 HydrophobicContact CB-CG1 4.37Å; D81-V113 HydrophobicContact CB-CG2 4.2Å; D81-R115 WeakPolarHBondContact OD1-CB 3.39Å; D81-R115 WeakPolarHBondContact OD1-CG 3.26Å; D81-R115 IonicContact OD1-CZ 2.65Å; D81-R115 IonicContact OD1-NE 3.31Å; D81-R115 PolarHBondContact OD1-NE 2.96Å; D81-R115 IonicContact OD1-NH2 3.44Å; D81-R115 PolarHBondContact OD1-NH2 2.76Å; D81-R115 IonicContact OD2-CZ 2.83Å; D81-R115 IonicContact OD2-NE 2.71Å; D81-R115 IonicContact OD2-NH2 3.62Å; D81-R115 PolarHBondContact OD2-NH2 2.97Å
82K95.8Very high96.7Very high38 Ų3849.8 Ų49.817%0.16527%0.271CS..EExtended strand (participates in β ladder)trans-88.9120.4170.8-173.1-177.4-175.2173.20109.3D58 I61 Y62 H80 L84 V113 A114D58-K82 WeakPolarHBondContact OD1-CE 3.38Å; D58-K82 IonicContact OD1-NZ 2.73Å; D58-K82 PolarHBondContact OD1-NZ 2.9Å; D58-K82 IonicContact OD2-NZ 3.69Å; D58-K82 PolarHBondContact OD2-NZ 3.01Å; I61-K82 CarbonylContact O-C 3.57Å; I61-K82 WeakPolarHBondContact O-CA 3.3Å; Y62-K82 HydrophobicContact CD1-CB 3.84Å; Y62-K82 HydrophobicContact CD1-CG 4.19Å; Y62-K82 HydrophobicContact CE1-CB 3.59Å; Y62-K82 HydrophobicContact CE1-CD 4.02Å; Y62-K82 HydrophobicContact CE1-CG 3.78Å; Y62-K82 HydrophobicContact CE2-CG 4.37Å; H80-K82 PolarHBondContact O-N 2.84Å; K82-L84 HydrophobicContact CD-CD2 4.08Å; K82-L84 HydrophobicContact CG-CD2 4.19Å; K82-L84 PolarHBondContact O-N 2.74Å; K82-V113 CarbonylContact O-C 3.54Å; K82-V113 WeakPolarHBondContact O-CA 3.36Å; K82-A114 HydrophobicContact CB-CB 4.25Å; K82-A114 PolarHBondContact N-O 3.33Å; K82-A114 PolarHBondContact O-N 3.06Å
83I97.3Very high96.6Very high0 Ų055.9 Ų55.90%030%0.303CS..EExtended strand (participates in β ladder)trans-79.4116.1178.6-53.7-179.6000108.9F39 I41 I61 V63 V86 F91 L103 V113F39-I83 HydrophobicContact CE2-CD1 4.09Å; I41-I83 HydrophobicContact CG2-CD1 4.06Å; I61-I83 HydrophobicContact CB-CB 4.42Å; I61-I83 HydrophobicContact CG2-CB 4.27Å; I61-I83 HydrophobicContact CG2-CD1 4.1Å; I61-I83 HydrophobicContact CG2-CG1 4.41Å; I61-I83 PolarHBondContact O-N 3.3Å; V63-I83 HydrophobicContact CG2-CD1 4.24Å; V63-I83 HydrophobicContact CG2-CG1 4.26Å; I83-V86 HydrophobicContact CG2-CG2 3.52Å; I83-F91 HydrophobicContact CB-CD1 4.39Å; I83-F91 HydrophobicContact CG2-CB 4.03Å; I83-F91 HydrophobicContact CG2-CD1 3.73Å; I83-F91 HydrophobicContact CG2-CE1 4.45Å; I83-F91 HydrophobicContact CG2-CG 3.98Å; I83-F91 WeakPolarHBondContact O-CB 3.32Å; I83-L103 HydrophobicContact CD1-CD1 4.46Å; I83-V113 HydrophobicContact CG1-CG1 4.38Å
84L96.8Very high96.5Very high37 Ų3752.7 Ų52.719%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-94.7-35.7179.3-55.1-178.3000111.9K82 F91 T92 L112 A114K82-L84 HydrophobicContact CD-CD2 4.08Å; K82-L84 HydrophobicContact CG-CD2 4.19Å; K82-L84 PolarHBondContact O-N 2.74Å; L84-F91 PolarHBondContact O-N 3.15Å; L84-T92 HydrophobicContact CB-CG2 4.48Å; L84-T92 HydrophobicContact CD2-CG2 4.18Å; L84-L112 WeakPolarHBondContact CB-O 3.29Å; L84-L112 HydrophobicContact CD1-CD2 4.33Å; L84-L112 HydrophobicContact CD1-CG 4.46Å; L84-L112 PolarHBondContact N-O 2.97Å; L84-A114 HydrophobicContact CD1-CB 4.11Å; L84-A114 HydrophobicContact CD2-CB 4.28Å; L84-A114 HydrophobicContact CG-CB 4.29Å
85Q97.6Very high96.6Very high80 Ų8047.6 Ų47.637%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-151.1146.3-176.4-165.8-171-92.100110.5Y89 M111 L112Q85-Y89 CarbonylContact C-O 3.59Å; Q85-Y89 WeakPolarHBondContact CA-O 3.37Å; Q85-Y89 WeakPolarHBondContact CG-O 3.19Å; Q85-M111 CarbonylContact O-C 3.6Å; Q85-M111 VanDerWaalsContact O-CA 3.23Å; Q85-M111 WeakPolarHBondContact O-CA 3.16Å; Q85-L112 HydrophobicContact CB-CB 3.96Å; Q85-L112 PolarHBondContact N-O 3.49Å; Q85-L112 PolarHBondContact O-N 3.03Å
86V97.9Very high96.6Very high5 Ų548.4 Ų48.43%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-136124.9168.5-1730000110.2I83 G88 Y89 F91 L103 L109 K110 M111I83-V86 HydrophobicContact CG2-CG2 3.52Å; V86-G88 PolarHBondContact O-N 3.11Å; V86-Y89 PolarHBondContact N-O 3.38Å; V86-Y89 WeakPolarHBondContact O-CB 3.49Å; V86-Y89 PolarHBondContact O-N 3.26Å; V86-F91 HydrophobicContact CB-CD2 3.94Å; V86-F91 HydrophobicContact CB-CE1 4.32Å; V86-F91 HydrophobicContact CB-CE2 3.41Å; V86-F91 VanDerWaalsContact CB-CE2 3.41Å; V86-F91 HydrophobicContact CB-CZ 3.62Å; V86-F91 HydrophobicContact CG1-CZ 4.47Å; V86-F91 HydrophobicContact CG2-CD1 3.83Å; V86-F91 HydrophobicContact CG2-CD2 3.74Å; V86-F91 HydrophobicContact CG2-CE1 3.57Å; V86-F91 HydrophobicContact CG2-CE2 3.5Å; V86-F91 VanDerWaalsContact CG2-CE2 3.5Å; V86-F91 HydrophobicContact CG2-CG 3.91Å; V86-F91 HydrophobicContact CG2-CZ 3.39Å; V86-L103 HydrophobicContact CG1-CD2 4.31Å; V86-L103 HydrophobicContact CG2-CD2 3.97Å; V86-L109 HydrophobicContact CG1-CB 4.05Å; V86-L109 HydrophobicContact CG1-CD2 3.94Å; V86-L109 HydrophobicContact CG1-CG 4.5Å; V86-K110 CarbonylContact C-O 3.16Å; V86-K110 WeakPolarHBondContact CA-O 3.49Å; V86-M111 HydrophobicContact CG1-CG 4.21Å; V86-M111 HydrophobicContact CG2-CG 4.08Å
87N97Very high96.7Very high67 Ų6754.1 Ų54.136%0.35828%0.279SS..THydrogen-bonded Turntrans51.338.1179.8-68.2-20.1000113.2Y89 R108 K110N87-Y89 VanDerWaalsContact C-N 3.26Å; N87-Y89 PolarHBondContact O-N 2.88Å; N87-R108 PolarHBondContact ND2-O 2.94Å; N87-K110 PolarHBondContact N-O 3.01Å; N87-K110 PolarHBondContact OD1-N 3.11Å
88G95.8Very high96.7Very high57 Ų5761.2 Ų61.259%0.58831%0.305SS*.THydrogen-bonded Turntrans82.1-5.7-178.300000114.8V86V86-G88 PolarHBondContact O-N 3.11Å
89Y96.7Very high96.8Very high90 Ų9055.6 Ų55.635%0.35328%0.281SS..EExtended strand (participates in β ladder)trans-89.5134.1175.8-165.6-92.9000110.7Q85 V86 N87 F91 L94 Y102Q85-Y89 CarbonylContact C-O 3.59Å; Q85-Y89 WeakPolarHBondContact CA-O 3.37Å; Q85-Y89 WeakPolarHBondContact CG-O 3.19Å; V86-Y89 PolarHBondContact N-O 3.38Å; V86-Y89 WeakPolarHBondContact O-CB 3.49Å; V86-Y89 PolarHBondContact O-N 3.26Å; N87-Y89 VanDerWaalsContact C-N 3.26Å; N87-Y89 PolarHBondContact O-N 2.88Å; Y89-F91 HydrophobicContact CD1-CD2 4.03Å; Y89-F91 AromaticContact CD1-CE2 3.94Å; Y89-F91 HydrophobicContact CD1-CE2 3.94Å; Y89-F91 WeakPolarHBondContact O-CD2 3.42Å; Y89-L94 HydrophobicContact CD1-CD1 4.15Å; Y89-L94 HydrophobicContact CE1-CD1 3.87Å; Y89-L94 HydrophobicContact CE1-CD2 3.74Å; Y89-L94 HydrophobicContact CE1-CG 4.05Å; Y89-Y102 HydrophobicContact CD1-CE1 4.42Å; Y89-Y102 HydrophobicContact CD1-CE2 4.49Å; Y89-Y102 HydrophobicContact CD2-CE1 4.3Å; Y89-Y102 HydrophobicContact CE1-CE2 4.21Å; Y89-Y102 HydrophobicContact CG-CE1 4.15Å
90D97.4Very high96.9Very high79 Ų7953.9 Ų53.942%0.42227%0.274SS..EExtended strand (participates in β ladder)trans-70.2130.1177.8175.532.2000111.5T92D90-T92 VanDerWaalsContact CG-OG1 3.24Å; D90-T92 WeakPolarHBondContact OD1-CB 3.41Å; D90-T92 VanDerWaalsContact OD1-CG2 3.26Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.49Å; D90-T92 PolarHBondContact OD1-N 3.27Å; D90-T92 PolarHBondContact OD1-OG1 3.16Å; D90-T92 PolarHBondContact OD2-OG1 3.21Å
91F97.7Very high96.9Very high1 Ų156.3 Ų56.30%0.00429%0.285CS..  trans-108.72.2-179.5-91.3-123.9000112.7I61 I83 L84 V86 Y89 L93 L94 A99 Y102 L103I61-F91 HydrophobicContact CG1-CD1 4.44Å; I83-F91 HydrophobicContact CB-CD1 4.39Å; I83-F91 HydrophobicContact CG2-CB 4.03Å; I83-F91 HydrophobicContact CG2-CD1 3.73Å; I83-F91 HydrophobicContact CG2-CE1 4.45Å; I83-F91 HydrophobicContact CG2-CG 3.98Å; I83-F91 WeakPolarHBondContact O-CB 3.32Å; L84-F91 PolarHBondContact O-N 3.15Å; V86-F91 HydrophobicContact CB-CD2 3.94Å; V86-F91 HydrophobicContact CB-CE1 4.32Å; V86-F91 HydrophobicContact CB-CE2 3.41Å; V86-F91 VanDerWaalsContact CB-CE2 3.41Å; V86-F91 HydrophobicContact CB-CZ 3.62Å; V86-F91 HydrophobicContact CG1-CZ 4.47Å; V86-F91 HydrophobicContact CG2-CD1 3.83Å; V86-F91 HydrophobicContact CG2-CD2 3.74Å; V86-F91 HydrophobicContact CG2-CE1 3.57Å; V86-F91 HydrophobicContact CG2-CE2 3.5Å; V86-F91 VanDerWaalsContact CG2-CE2 3.5Å; V86-F91 HydrophobicContact CG2-CG 3.91Å; V86-F91 HydrophobicContact CG2-CZ 3.39Å; Y89-F91 HydrophobicContact CD1-CD2 4.03Å; Y89-F91 AromaticContact CD1-CE2 3.94Å; Y89-F91 HydrophobicContact CD1-CE2 3.94Å; Y89-F91 WeakPolarHBondContact O-CD2 3.42Å; F91-L93 PolarHBondContact O-N 2.91Å; F91-L94 HydrophobicContact CB-CD1 4.4Å; F91-L94 HydrophobicContact CD1-CD1 3.95Å; F91-L94 HydrophobicContact CD2-CD1 3.73Å; F91-L94 HydrophobicContact CE1-CD1 4.09Å; F91-L94 HydrophobicContact CE2-CD1 3.85Å; F91-L94 HydrophobicContact CG-CD1 3.77Å; F91-L94 HydrophobicContact CZ-CD1 4.04Å; F91-A99 HydrophobicContact CD1-CB 4.35Å; F91-A99 HydrophobicContact CE1-CB 4.08Å; F91-Y102 HydrophobicContact CZ-CG 4.48Å; F91-L103 HydrophobicContact CE1-CD1 4.35Å; F91-L103 HydrophobicContact CE1-CD2 4.05Å; F91-L103 HydrophobicContact CE1-CG 3.93Å; F91-L103 HydrophobicContact CZ-CD2 4.3Å; F91-L103 HydrophobicContact CZ-CG 4.32Å
92T96.1Very high96.9Very high53 Ų5360 Ų6033%0.32530%0.3SS..THydrogen-bonded Turntrans-74.1-24.9-173.462.30000114.4L84 D90L84-T92 HydrophobicContact CB-CG2 4.48Å; L84-T92 HydrophobicContact CD2-CG2 4.18Å; D90-T92 VanDerWaalsContact CG-OG1 3.24Å; D90-T92 WeakPolarHBondContact OD1-CB 3.41Å; D90-T92 VanDerWaalsContact OD1-CG2 3.26Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.49Å; D90-T92 PolarHBondContact OD1-N 3.27Å; D90-T92 PolarHBondContact OD1-OG1 3.16Å; D90-T92 PolarHBondContact OD2-OG1 3.21Å
93L95.6Very high96.9Very high128 Ų12858.8 Ų58.867%0.6730%0.295SS*.THydrogen-bonded Turntrans-128.638.7-178.9-64.4174.6000112.2I45 F91I45-L93 HydrophobicContact CG2-CB 4.48Å; I45-L93 HydrophobicContact CG2-CD2 4.27Å; F91-L93 PolarHBondContact O-N 2.91Å
94L97Very high96.7Very high7 Ų766.1 Ų66.14%0.03733%0.327CS..  trans-93148177.3-82.7-175.1000112.5G44 I45 Y89 F91 R98 A99G44-L94 CarbonylContact C-O 3.57Å; G44-L94 VanDerWaalsContact CA-O 3.24Å; G44-L94 WeakPolarHBondContact CA-O 3.44Å; I45-L94 PolarHBondContact N-O 3.45Å; Y89-L94 HydrophobicContact CD1-CD1 4.15Å; Y89-L94 HydrophobicContact CE1-CD1 3.87Å; Y89-L94 HydrophobicContact CE1-CD2 3.74Å; Y89-L94 HydrophobicContact CE1-CG 4.05Å; F91-L94 HydrophobicContact CB-CD1 4.4Å; F91-L94 HydrophobicContact CD1-CD1 3.95Å; F91-L94 HydrophobicContact CD2-CD1 3.73Å; F91-L94 HydrophobicContact CE1-CD1 4.09Å; F91-L94 HydrophobicContact CE2-CD1 3.85Å; F91-L94 HydrophobicContact CG-CD1 3.77Å; F91-L94 HydrophobicContact CZ-CD1 4.04Å; L94-R98 HydrophobicContact CD2-CB 3.92Å; L94-A99 HydrophobicContact CB-CB 4.45Å; L94-A99 HydrophobicContact CD1-CB 4.35Å
95T98.2Very high96.4Very high31 Ų3171.7 Ų71.719%0.1935%0.35CS..  trans-70153.9161.465.70000109.8I45 D46 E97 R98 A99I45-T95 HydrophobicContact CD1-CG2 4.2Å; I45-T95 HydrophobicContact CG1-CG2 3.82Å; D46-T95 HydrophobicContact CB-CG2 4.03Å; D46-T95 WeakPolarHBondContact OD1-CA 3.31Å; D46-T95 WeakPolarHBondContact OD1-CB 3.42Å; T95-E97 VanDerWaalsContact C-N 3.29Å; T95-E97 PolarHBondContact O-N 3.28Å; T95-R98 PolarHBondContact O-N 2.9Å; T95-R98 WeakPolarHBondContact OG1-CB 3.45Å; T95-R98 VanDerWaalsContact OG1-CG 3.32Å; T95-R98 WeakPolarHBondContact OG1-CG 3.39Å; T95-R98 PolarHBondContact OG1-N 3.37Å; T95-A99 PolarHBondContact O-N 2.95Å
96H97.9Very high96.1Very high52 Ų5270.7 Ų70.724%0.24135%0.347CS..Hα-helixtrans-53.5-49.7175.6-171.984.4000110.8G43 D46 Q47 R98 A99 V100G43-H96 VanDerWaalsContact O-CB 3.3Å; G43-H96 WeakPolarHBondContact O-CB 3.47Å; G43-H96 PolarHBondContact O-ND1 2.95Å; D46-H96 PolarHBondContact OD1-N 2.79Å; Q47-H96 HydrophobicContact CG-CB 4.06Å; H96-R98 VanDerWaalsContact C-N 3.34Å; H96-R98 PolarHBondContact O-N 3.2Å; H96-A99 WeakPolarHBondContact O-CB 3.36Å; H96-A99 PolarHBondContact O-N 3.38Å; H96-V100 WeakPolarHBondContact O-CG2 3.37Å; H96-V100 PolarHBondContact O-N 3.44Å
97E97.7Very high95.8Very high153 Ų15375.2 Ų75.272%0.71537%0.368SS*.Hα-helixtrans-57.8-46.1-179.7-170.8-170.1176.400111.9T95 V100 H101T95-E97 VanDerWaalsContact C-N 3.29Å; T95-E97 PolarHBondContact O-N 3.28Å; E97-V100 PolarHBondContact O-N 3.26Å; E97-H101 WeakPolarHBondContact O-CB 3.22Å; E97-H101 PolarHBondContact O-N 2.63Å
98R97.4Very high95.7Very high152 Ų15278.2 Ų78.257%0.57437%0.374SS*.Hα-helixtrans-65.4-42.1178.3-76.6-178.2176.4-176.41.8111.4L94 T95 H96 H101 Y102L94-R98 HydrophobicContact CD2-CB 3.92Å; T95-R98 PolarHBondContact O-N 2.9Å; T95-R98 WeakPolarHBondContact OG1-CB 3.45Å; T95-R98 VanDerWaalsContact OG1-CG 3.32Å; T95-R98 WeakPolarHBondContact OG1-CG 3.39Å; T95-R98 PolarHBondContact OG1-N 3.37Å; H96-R98 VanDerWaalsContact C-N 3.34Å; H96-R98 PolarHBondContact O-N 3.2Å; R98-H101 PolarHBondContact O-N 2.85Å; R98-Y102 WeakPolarHBondContact O-CD2 3.12Å; R98-Y102 PolarHBondContact O-N 3.38Å
99A97.8Very high95.8Very high0 Ų075.5 Ų75.50%035%0.346CS..Hα-helixtrans-59-48.4176.100000111I41 I61 F91 L94 T95 H96 H101 Y102 L103I41-A99 HydrophobicContact CD1-CB 3.7Å; I61-A99 HydrophobicContact CD1-CB 3.56Å; I61-A99 HydrophobicContact CG1-CB 3.85Å; I61-A99 HydrophobicContact CG2-CB 4.31Å; F91-A99 HydrophobicContact CD1-CB 4.35Å; F91-A99 HydrophobicContact CE1-CB 4.08Å; L94-A99 HydrophobicContact CB-CB 4.45Å; L94-A99 HydrophobicContact CD1-CB 4.35Å; T95-A99 PolarHBondContact O-N 2.95Å; H96-A99 WeakPolarHBondContact O-CB 3.36Å; H96-A99 PolarHBondContact O-N 3.38Å; A99-H101 PolarHBondContact O-N 2.89Å; A99-Y102 PolarHBondContact O-N 2.94Å; A99-L103 WeakPolarHBondContact O-CB 3.41Å; A99-L103 WeakPolarHBondContact O-CG 3.4Å; A99-L103 PolarHBondContact O-N 2.93Å
100V96.7Very high95.9Very high36 Ų3677 Ų7722%0.21835%0.354CS..Hα-helixtrans-58.6-46.9175.8172.70000111.2I41 H96 E97 Y102 L103 K104I41-V100 HydrophobicContact CD1-CG2 3.84Å; I41-V100 HydrophobicContact CG1-CG2 4.14Å; H96-V100 WeakPolarHBondContact O-CG2 3.37Å; H96-V100 PolarHBondContact O-N 3.44Å; E97-V100 PolarHBondContact O-N 3.26Å; V100-Y102 PolarHBondContact O-N 3.23Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-K104 HydrophobicContact CG1-CD 3.88Å; V100-K104 HydrophobicContact CG1-CG 4.39Å; V100-K104 WeakPolarHBondContact O-CB 3.27Å; V100-K104 WeakPolarHBondContact O-CG 3.37Å; V100-K104 PolarHBondContact O-N 3.02Å
101H95.3Very high95.9Very high116 Ų11673.5 Ų73.554%0.53734%0.336SS..Hα-helixtrans-58.7-49.4179.7-178.684.9000111.8E97 R98 A99 L103 K104 K105E97-H101 WeakPolarHBondContact O-CB 3.22Å; E97-H101 PolarHBondContact O-N 2.63Å; R98-H101 PolarHBondContact O-N 2.85Å; A99-H101 PolarHBondContact O-N 2.89Å; H101-L103 PolarHBondContact O-N 2.91Å; H101-K104 PolarHBondContact O-N 2.94Å; H101-K105 PolarHBondContact O-N 3.42Å; H101-K105 VanDerWaalsContact O-N 3.15Å
102Y95Very high95.9Very high79 Ų7976.1 Ų76.131%0.3135%0.349SS..Hα-helixtrans-62.5-44.3178.7-95.9-85.6000112.7Y89 F91 R98 A99 V100 K104 K105 N106Y89-Y102 HydrophobicContact CD1-CE1 4.42Å; Y89-Y102 HydrophobicContact CD1-CE2 4.49Å; Y89-Y102 HydrophobicContact CD2-CE1 4.3Å; Y89-Y102 HydrophobicContact CE1-CE2 4.21Å; Y89-Y102 HydrophobicContact CG-CE1 4.15Å; F91-Y102 HydrophobicContact CZ-CG 4.48Å; R98-Y102 WeakPolarHBondContact O-CD2 3.12Å; R98-Y102 PolarHBondContact O-N 3.38Å; A99-Y102 PolarHBondContact O-N 2.94Å; V100-Y102 PolarHBondContact O-N 3.23Å; Y102-K104 VanDerWaalsContact C-N 3.27Å; Y102-K104 PolarHBondContact O-N 3.01Å; Y102-K105 PolarHBondContact O-N 3.18Å; Y102-N106 PolarHBondContact O-ND2 3.39Å
103L95.9Very high95.9Very high12 Ų1273.6 Ų73.66%0.06333%0.334CS..Hα-helixtrans-64.4-32.7179.2-71.1173.7000111.7K23 F39 I41 I83 V86 F91 A99 V100 H101 L109K23-L103 WeakPolarHBondContact CE-O 3.4Å; K23-L103 PolarHBondContact NZ-O 3.08Å; F39-L103 HydrophobicContact CE2-CD1 4.06Å; F39-L103 HydrophobicContact CZ-CD1 3.98Å; F39-L103 HydrophobicContact CZ-CD2 4.06Å; I41-L103 HydrophobicContact CD1-CD1 3.9Å; I41-L103 HydrophobicContact CG1-CD1 4.48Å; I41-L103 HydrophobicContact CG2-CD1 3.89Å; I83-L103 HydrophobicContact CD1-CD1 4.46Å; V86-L103 HydrophobicContact CG1-CD2 4.31Å; V86-L103 HydrophobicContact CG2-CD2 3.97Å; F91-L103 HydrophobicContact CE1-CD1 4.35Å; F91-L103 HydrophobicContact CE1-CD2 4.05Å; F91-L103 HydrophobicContact CE1-CG 3.93Å; F91-L103 HydrophobicContact CZ-CD2 4.3Å; F91-L103 HydrophobicContact CZ-CG 4.32Å; A99-L103 WeakPolarHBondContact O-CB 3.41Å; A99-L103 WeakPolarHBondContact O-CG 3.4Å; A99-L103 PolarHBondContact O-N 2.93Å; V100-L103 PolarHBondContact O-N 3.46Å; H101-L103 PolarHBondContact O-N 2.91Å; L103-L109 HydrophobicContact CD2-CD1 3.82Å
104K93.3Very high95.8Very high153 Ų15368.5 Ų68.567%0.66531%0.31SS*.Hα-helixtrans-74.3-36.3177.3-77178.5177.61780113.4K23 V100 H101 Y102 N106K23-K104 VanDerWaalsContact NZ-C 3.3Å; K23-K104 PolarHBondContact NZ-O 3.01Å; V100-K104 HydrophobicContact CG1-CD 3.88Å; V100-K104 HydrophobicContact CG1-CG 4.39Å; V100-K104 WeakPolarHBondContact O-CB 3.27Å; V100-K104 WeakPolarHBondContact O-CG 3.37Å; V100-K104 PolarHBondContact O-N 3.02Å; H101-K104 PolarHBondContact O-N 2.94Å; Y102-K104 VanDerWaalsContact C-N 3.27Å; Y102-K104 PolarHBondContact O-N 3.01Å; K104-N106 PolarHBondContact O-N 3.2Å
105K91.1Very high95.5Very high155 Ų15570.9 Ų70.967%0.67432%0.319SS*.Hα-helixtrans-62.9-36.2-170.3-175.7174.5179.11770115.6H101 Y102H101-K105 PolarHBondContact O-N 3.42Å; H101-K105 VanDerWaalsContact O-N 3.15Å; Y102-K105 PolarHBondContact O-N 3.18Å
106N90.2Very high94.5Very high58 Ų5872.6 Ų72.631%0.3134%0.336SS..  trans-104.9137.7-170.2-60.5-77.8000111.8K23 Y102 K104 R108 L109K23-N106 WeakPolarHBondContact CD-O 3.37Å; K23-N106 WeakPolarHBondContact CE-O 3.31Å; K23-N106 PolarHBondContact NZ-O 3.09Å; Y102-N106 PolarHBondContact O-ND2 3.39Å; K104-N106 PolarHBondContact O-N 3.2Å; N106-R108 VanDerWaalsContact C-N 3.32Å; N106-L109 HydrophobicContact CB-CD2 3.91Å
107E91.8Very high92.9Very high101 Ų10178.9 Ų78.947%0.47237%0.366SS..SBendtrans-61.6-41.7173.3173.1-179.4-149.900111.8K23 Y35K23-E107 WeakPolarHBondContact CB-O 3.48Å; K23-E107 VanDerWaalsContact CG-O 3.23Å; K23-E107 WeakPolarHBondContact CG-O 3.47Å; K23-E107 PolarHBondContact N-O 3.18Å; Y35-E107 HydrophobicContact CD1-CB 4.16Å; Y35-E107 HydrophobicContact CD1-CG 3.96Å; Y35-E107 HydrophobicContact CE1-CB 3.73Å; Y35-E107 HydrophobicContact CE1-CG 3.55Å
108R96Very high90.5Very high130 Ų13077.2 Ų77.249%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-118.4134.3-176.1-169.3174.7151.8178.8-3.5110.7V20 L21 N87 N106V20-R108 HydrophobicContact CG1-CG 4.16Å; L21-R108 CarbonylContact O-C 3.46Å; L21-R108 WeakPolarHBondContact O-CA 3.45Å; N87-R108 PolarHBondContact ND2-O 2.94Å; N106-R108 VanDerWaalsContact C-N 3.32Å
109L97.6Very high87.9Confident0 Ų076.6 Ų76.60%037%0.369CS..EExtended strand (participates in β ladder)trans-120.5114.4-176.5-51.7178.2000109.2V20 L21 F39 V86 L103 N106 M111V20-L109 WeakPolarHBondContact CA-O 3.42Å; L21-L109 HydrophobicContact CB-CB 4.31Å; L21-L109 HydrophobicContact CD2-CD1 4.25Å; L21-L109 PolarHBondContact N-O 2.7Å; L21-L109 PolarHBondContact O-N 3.12Å; F39-L109 HydrophobicContact CE1-CD1 4.37Å; V86-L109 HydrophobicContact CG1-CB 4.05Å; V86-L109 HydrophobicContact CG1-CD2 3.94Å; V86-L109 HydrophobicContact CG1-CG 4.5Å; L103-L109 HydrophobicContact CD2-CD1 3.82Å; N106-L109 HydrophobicContact CB-CD2 3.91Å; L109-M111 HydrophobicContact CB-CG 3.97Å; L109-M111 HydrophobicContact CB-SD 4.19Å; L109-M111 HydrophobicContact CD1-SD 4.42Å
110K98.2Very high85.1Confident121 Ų12183.9 Ų83.953%0.52641%0.408SS..EExtended strand (participates in β ladder)trans-92.9103.5168.1-62.4179.3-175.7176.70107.8V20 V86 N87V20-K110 HydrophobicContact CG2-CG 4.37Å; V86-K110 CarbonylContact C-O 3.16Å; V86-K110 WeakPolarHBondContact CA-O 3.49Å; N87-K110 PolarHBondContact N-O 3.01Å; N87-K110 PolarHBondContact OD1-N 3.11Å
111M98Very high82.6Confident6 Ų687.3 Ų87.33%0.0342%0.421CS..EExtended strand (participates in β ladder)trans-106.7146.2-172.1-55.3-178.9-67.600110.6P18 I19 L21 L77 Q85 V86 L109 V113P18-M111 CarbonylContact C-O 3.41Å; P18-M111 WeakPolarHBondContact CA-O 3.43Å; I19-M111 HydrophobicContact CB-CB 4.5Å; I19-M111 HydrophobicContact CB-CE 4.17Å; I19-M111 HydrophobicContact CG2-CE 3.65Å; I19-M111 PolarHBondContact N-O 3.47Å; I19-M111 PolarHBondContact O-N 2.8Å; L21-M111 HydrophobicContact CB-CE 3.78Å; L21-M111 HydrophobicContact CD1-CE 4.16Å; L77-M111 HydrophobicContact CD1-CE 4Å; L77-M111 HydrophobicContact CD2-CE 4.3Å; Q85-M111 CarbonylContact O-C 3.6Å; Q85-M111 VanDerWaalsContact O-CA 3.23Å; Q85-M111 WeakPolarHBondContact O-CA 3.16Å; V86-M111 HydrophobicContact CG1-CG 4.21Å; V86-M111 HydrophobicContact CG2-CG 4.08Å; L109-M111 HydrophobicContact CB-CG 3.97Å; L109-M111 HydrophobicContact CB-SD 4.19Å; L109-M111 HydrophobicContact CD1-SD 4.42Å; M111-V113 HydrophobicContact CB-CG1 4.29Å
112L96.9Very high80Confident55 Ų5591.2 Ų91.229%0.28846%0.456SS..EExtended strand (participates in β ladder)trans-111.4123.2160.5-169.970.6000106.8L84 Q85L84-L112 WeakPolarHBondContact CB-O 3.29Å; L84-L112 HydrophobicContact CD1-CD2 4.33Å; L84-L112 HydrophobicContact CD1-CG 4.46Å; L84-L112 PolarHBondContact N-O 2.97Å; Q85-L112 HydrophobicContact CB-CB 3.96Å; Q85-L112 PolarHBondContact N-O 3.49Å; Q85-L112 PolarHBondContact O-N 3.03Å
113V96.1Very high79.2Confident0 Ų091.8 Ų91.80%046%0.463CS..EExtended strand (participates in β ladder)trans-120.4146-179.7-55.40000111.3S16 I17 I19 L77 D81 K82 I83 M111S16-V113 CarbonylContact C-O 3.56Å; S16-V113 VanDerWaalsContact CA-O 3.23Å; S16-V113 WeakPolarHBondContact CA-O 3.24Å; I17-V113 HydrophobicContact CB-CG2 3.96Å; I17-V113 PolarHBondContact N-O 2.62Å; I17-V113 PolarHBondContact O-N 2.95Å; I19-V113 HydrophobicContact CD1-CG1 4.41Å; I19-V113 HydrophobicContact CD1-CG2 3.62Å; I19-V113 HydrophobicContact CG1-CG2 4.27Å; L77-V113 HydrophobicContact CD1-CG1 3.95Å; D81-V113 HydrophobicContact CB-CB 4.05Å; D81-V113 HydrophobicContact CB-CG1 4.37Å; D81-V113 HydrophobicContact CB-CG2 4.2Å; K82-V113 CarbonylContact O-C 3.54Å; K82-V113 WeakPolarHBondContact O-CA 3.36Å; I83-V113 HydrophobicContact CG1-CG1 4.38Å; M111-V113 HydrophobicContact CB-CG1 4.29Å
114A93.3Very high78.3Confident21 Ų2196 Ų9617%0.17448%0.484CS..EExtended strand (participates in β ladder)trans-94.2129.4165.600000110.2V15 K82 L84V15-A114 HydrophobicContact CG2-CB 4.48Å; V15-A114 CarbonylContact O-C 3.52Å; V15-A114 WeakPolarHBondContact O-CA 3.32Å; K82-A114 HydrophobicContact CB-CB 4.25Å; K82-A114 PolarHBondContact N-O 3.33Å; K82-A114 PolarHBondContact O-N 3.06Å; L84-A114 HydrophobicContact CD1-CB 4.11Å; L84-A114 HydrophobicContact CD2-CB 4.28Å; L84-A114 HydrophobicContact CG-CB 4.29Å
115R90.9Very high77.5Confident57 Ų5792.8 Ų92.822%0.21547%0.474CS..  trans-124.2114.1174.5-173.6178.8-64.4161.51108.8V15 I17 G76 D81V15-R115 PolarHBondContact O-N 3.48Å; I17-R115 HydrophobicContact CD1-CB 3.72Å; I17-R115 HydrophobicContact CD1-CG 4.41Å; G76-R115 PolarHBondContact O-NH2 2.79Å; D81-R115 WeakPolarHBondContact OD1-CB 3.39Å; D81-R115 WeakPolarHBondContact OD1-CG 3.26Å; D81-R115 IonicContact OD1-CZ 2.65Å; D81-R115 IonicContact OD1-NE 3.31Å; D81-R115 PolarHBondContact OD1-NE 2.96Å; D81-R115 IonicContact OD1-NH2 3.44Å; D81-R115 PolarHBondContact OD1-NH2 2.76Å; D81-R115 IonicContact OD2-CZ 2.83Å; D81-R115 IonicContact OD2-NE 2.71Å; D81-R115 IonicContact OD2-NH2 3.62Å; D81-R115 PolarHBondContact OD2-NH2 2.97Å
116A76.9Confident76.7Confident68 Ų6889.2 Ų89.256%0.56246%0.462SS*.  trans-70.9128.2161.300000106.8V118A116-V118 PolarHBondContact O-N 2.93Å
117E64Low75.9Confident184 Ų18491.1 Ų91.186%0.8647%0.472SS*.SBendtrans-52.2117.2163.7-71.5179.6176.700106.6Q119E117-Q119 PolarHBondContact O-N 3.42Å
118V48Very low74.8Confident118 Ų11890.5 Ų90.572%0.71547%0.472SS*.  trans-25.4102.5-167.9-175.90000111.1A116 D120A116-V118 PolarHBondContact O-N 2.93Å; V118-D120 PolarHBondContact O-N 3.09Å
119Q43.1Very low73.3Confident138 Ų13887.6 Ų87.665%0.64547%0.471SS*.  trans-66.6115.1149-82.7178.7800103.6E117 F121E117-Q119 PolarHBondContact O-N 3.42Å; Q119-F121 HydrophobicContact CB-CE2 4.32Å; Q119-F121 WeakPolarHBondContact O-CD2 3.35Å; Q119-F121 PolarHBondContact O-N 3.22Å
120D38.7Very low71.4Confident153 Ų15394.4 Ų94.482%0.81851%0.507SS*.  trans-52.5100.3166.3-75-54.6000106.4V118V118-D120 PolarHBondContact O-N 3.09Å
121F43.4Very low69.2Low109 Ų10992.2 Ų92.248%0.47851%0.505SS..  trans-73.2132.3169.3-73.3-83.5000106Q119Q119-F121 HydrophobicContact CB-CE2 4.32Å; Q119-F121 WeakPolarHBondContact O-CD2 3.35Å; Q119-F121 PolarHBondContact O-N 3.22Å
122P41.2Very low66.6Low197 Ų197100 Ų100100%1.27955%0.549SS*.  trans-590-170.124.6-34.7000113.7

Retrieved 122 of 122 residues in 481.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).