A0A087YCV6_POEFO Loading...

Ragulator complex protein LAMTOR4

As part of the Ragulator complex it is involved in amino acid sensing and activation of mTORC1, a signaling complex promoting cell growth in response to growth factors, energy levels, and amino acids. Activated by amino acids through a mechanism involving the lysosomal V-ATPase, the Ragulator plays a dual role for the small GTPases Rag (RagA/RRAGA, RagB/RRAGB, RagC/RRAGC and/or RagD/RRAGD): it (1) acts as a guanine nucleotide exchange factor (GEF), activating the small GTPases Rag and (2) mediates recruitment of Rag GTPases to the lysosome membrane. Activated Ragulator and Rag GTPases function as a scaffold recruiting mTORC1 to lysosomes where it is in turn activated.

AlphaFold DB , UniProt , Accession A0A087YCV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 100 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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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
1M53.3Low77.4Confident203 Ų20371.1 Ų71.1100%145%0.446SS*.  0133.10-80.2-174.9-142.700108.4L6M1-L6 HydrophobicContact SD-CD2 4.06Å
2T62.2Low78.7Confident99 Ų9983 Ų8361%0.60748%0.476SS*.  trans-74.1151.3173.852.30000110.2A4 A5T2-A4 PolarHBondContact O-N 3.39Å; T2-A5 PolarHBondContact O-N 3.03Å
3T66.5Low79.9Confident69 Ų6980.7 Ų80.742%0.42346%0.46SS..Hα-helixtrans-56.4-36.3177.9-53.10000112A5 L6 T7 A29T3-A5 PolarHBondContact O-N 3.09Å; T3-L6 WeakPolarHBondContact O-CB 3.4Å; T3-L6 PolarHBondContact O-N 3.22Å; T3-L6 VanDerWaalsContact O-N 3.09Å; T3-T7 HydrophobicContact CG2-CG2 4.49Å; T3-T7 PolarHBondContact O-N 3.32Å; T3-T7 VanDerWaalsContact O-N 3.16Å; T3-T7 PolarHBondContact O-OG1 2.82Å; T3-A29 HydrophobicContact CG2-CB 4Å
4A66.4Low80.8Confident71 Ų7181.4 Ų81.459%0.58747%0.469SS*.Hα-helixtrans-60.6-37.5178.700000114.1T2 L6 T7 A8T2-A4 PolarHBondContact O-N 3.39Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.22Å; A4-T7 PolarHBondContact O-OG1 3.3Å; A4-A8 PolarHBondContact O-N 3.07Å
5A73.8Confident81.7Confident63 Ų6379 Ų7952%0.52145%0.454SS..Hα-helixtrans-70.5-27.6177.500000112.2T2 T3T2-A5 PolarHBondContact O-N 3.03Å; T3-A5 PolarHBondContact O-N 3.09Å
6L77.8Confident82.6Confident39 Ų3976.9 Ų76.920%0.20444%0.439CS..Hα-helixtrans-75.8-37.7178-67.4167.3000111.6M1 T3 A4 K84 F86M1-L6 HydrophobicContact SD-CD2 4.06Å; T3-L6 WeakPolarHBondContact O-CB 3.4Å; T3-L6 PolarHBondContact O-N 3.22Å; T3-L6 VanDerWaalsContact O-N 3.09Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.22Å; L6-K84 HydrophobicContact CD1-CD 4.42Å; L6-F86 HydrophobicContact CD2-CE1 4.49Å; L6-F86 HydrophobicContact CD2-CZ 4.33Å
7T86Confident83.5Confident17 Ų1774.2 Ų74.210%0.10443%0.425CS..Hα-helixtrans-78.2-32.1-178550000113.1T3 A4 G9 L10 E11 Y19 A29T3-T7 HydrophobicContact CG2-CG2 4.49Å; T3-T7 PolarHBondContact O-N 3.32Å; T3-T7 VanDerWaalsContact O-N 3.16Å; T3-T7 PolarHBondContact O-OG1 2.82Å; A4-T7 PolarHBondContact O-OG1 3.3Å; T7-G9 PolarHBondContact O-N 3.06Å; T7-G9 VanDerWaalsContact O-N 3.12Å; T7-L10 WeakPolarHBondContact O-CB 3.18Å; T7-L10 PolarHBondContact O-N 3.22Å; T7-E11 PolarHBondContact O-N 2.8Å; T7-Y19 WeakPolarHBondContact CB-OH 3.45Å; T7-Y19 HydrophobicContact CG2-CE2 3.82Å; T7-A29 HydrophobicContact CG2-CB 3.66Å
8A86.5Confident84.3Confident46 Ų4670.1 Ų70.138%0.3840%0.401SS..Hα-helixtrans-58.2-28.3177.300000113.8A4 R12A4-A8 PolarHBondContact O-N 3.07Å; A8-R12 WeakPolarHBondContact O-CD 3.33Å; A8-R12 WeakPolarHBondContact O-CG 3.4Å
9G91.4Very high85Confident44 Ų4467.1 Ų67.145%0.45438%0.383SS..Hα-helixtrans-73.3-32.9173.600000113.2T7T7-G9 PolarHBondContact O-N 3.06Å; T7-G9 VanDerWaalsContact O-N 3.12Å
10L94.3Very high85.6Confident18 Ų1863.8 Ų63.89%0.09436%0.363CS..Hα-helixtrans-75.1-38.3-177-56177.6000111.7T7 R12 I13 Y19 V21 F86 V88T7-L10 WeakPolarHBondContact O-CB 3.18Å; T7-L10 PolarHBondContact O-N 3.22Å; L10-R12 PolarHBondContact O-N 2.97Å; L10-I13 HydrophobicContact CD2-CD1 4.12Å; L10-I13 WeakPolarHBondContact O-CB 3.36Å; L10-I13 WeakPolarHBondContact O-CG1 3.48Å; L10-I13 PolarHBondContact O-N 3.12Å; L10-Y19 HydrophobicContact CB-CD1 3.77Å; L10-Y19 HydrophobicContact CB-CE1 4.21Å; L10-Y19 HydrophobicContact CB-CG 4.01Å; L10-Y19 HydrophobicContact CD1-CD1 4.37Å; L10-Y19 HydrophobicContact CD1-CD2 3.72Å; L10-Y19 HydrophobicContact CD1-CE2 4.27Å; L10-Y19 HydrophobicContact CD1-CG 3.81Å; L10-V21 HydrophobicContact CD1-CG2 3.72Å; L10-F86 HydrophobicContact CD1-CD1 4.22Å; L10-F86 HydrophobicContact CD2-CD1 4.33Å; L10-V88 HydrophobicContact CD2-CG2 3.98Å
11E92.9Very high86.2Confident113 Ų11360.9 Ų60.953%0.52835%0.347SS..THydrogen-bonded Turntrans-64.1-21.5176.2-67.6173.6-167.200113.1T7 I13 Y19T7-E11 PolarHBondContact O-N 2.8Å; E11-I13 VanDerWaalsContact C-N 3.34Å; E11-Y19 HydrophobicContact CG-CE1 3.79Å
12R93.9Very high88.2Confident214 Ų21451.5 Ų51.581%0.80830%0.301SS*.THydrogen-bonded Turntrans-90.10.9-179.5-67.5176.764.4-176.90.2113.3A8 L10A8-R12 WeakPolarHBondContact O-CD 3.33Å; A8-R12 WeakPolarHBondContact O-CG 3.4Å; L10-R12 PolarHBondContact O-N 2.97Å
13I93.8Very high89.8Confident53 Ų5347.6 Ų47.627%0.27228%0.278SS..SBendtrans-75.2127.8-179.5-66.2172.3000108.9L10 E11 Q16 V88 R90L10-I13 HydrophobicContact CD2-CD1 4.12Å; L10-I13 WeakPolarHBondContact O-CB 3.36Å; L10-I13 WeakPolarHBondContact O-CG1 3.48Å; L10-I13 PolarHBondContact O-N 3.12Å; E11-I13 VanDerWaalsContact C-N 3.34Å; I13-Q16 HydrophobicContact CB-CB 4.04Å; I13-Q16 HydrophobicContact CG2-CB 4.28Å; I13-Q16 WeakPolarHBondContact O-CB 3.49Å; I13-Q16 PolarHBondContact O-N 3.4Å; I13-V88 HydrophobicContact CD1-CB 4.49Å; I13-V88 HydrophobicContact CD1-CG1 4.15Å; I13-V88 HydrophobicContact CD1-CG2 3.79Å; I13-V88 HydrophobicContact CG2-CG1 4.4Å; I13-R90 HydrophobicContact CG2-CG 4.35Å
14P93.3Very high90.8Very high90 Ų9051.6 Ų51.658%0.58429%0.292SS*.THydrogen-bonded Turntrans-57.8142.1176.1-2534.3000112.6Q16 R90P14-Q16 PolarHBondContact O-N 2.95Å; P14-Q16 VanDerWaalsContact O-N 3.14Å; P14-R90 PolarHBondContact O-NE 3.35Å; P14-R90 PolarHBondContact O-NH2 2.76Å; P14-R90 VanDerWaalsContact O-NH2 3.09Å
15D94Very high92Very high46 Ų4655.9 Ų55.925%0.24631%0.305CS..THydrogen-bonded Turntrans60.813.2-179.9-44.8-55.4000114.4R90 Q91 N93 H95D15-R90 CarbonylContact O-C 3.55Å; D15-R90 WeakPolarHBondContact O-CA 3.43Å; D15-R90 IonicContact OD2-NH2 3.25Å; D15-R90 PolarHBondContact OD2-NH2 3.22Å; D15-Q91 HydrophobicContact CB-CB 4.32Å; D15-Q91 PolarHBondContact O-N 3.25Å; D15-N93 PolarHBondContact OD1-ND2 3.47Å; D15-H95 IonicContact OD2-CE1 3.8Å; D15-H95 IonicContact OD2-NE2 3.02Å; D15-H95 PolarHBondContact OD2-NE2 3.37Å
16Q95.6Very high92.8Very high45 Ų4554.3 Ų54.321%0.2129%0.294CS..EExtended strand (participates in β ladder)trans-69.1131177.3175.6-89.8-36.800110.7I13 P14 G18 V88I13-Q16 HydrophobicContact CB-CB 4.04Å; I13-Q16 HydrophobicContact CG2-CB 4.28Å; I13-Q16 WeakPolarHBondContact O-CB 3.49Å; I13-Q16 PolarHBondContact O-N 3.4Å; P14-Q16 PolarHBondContact O-N 2.95Å; P14-Q16 VanDerWaalsContact O-N 3.14Å; Q16-G18 VanDerWaalsContact NE2-CA 3.28Å; Q16-V88 HydrophobicContact CB-CG1 4.08Å; Q16-V88 HydrophobicContact CG-CG1 3.6Å
17V97.4Very high93.6Very high32 Ų3254.9 Ų54.919%0.19430%0.299CS..EExtended strand (participates in β ladder)trans-121.2-13.8178-64.70000113G32 E33 K89 Q91V17-G32 WeakPolarHBondContact O-CA 3.42Å; V17-E33 HydrophobicContact CB-CG 4.42Å; V17-E33 PolarHBondContact O-N 2.9Å; V17-K89 HydrophobicContact CG2-CB 3.99Å; V17-K89 HydrophobicContact CG2-CD 3.85Å; V17-K89 HydrophobicContact CG2-CG 3.67Å; V17-K89 WeakPolarHBondContact CG2-O 3.43Å; V17-K89 PolarHBondContact N-O 3.14Å; V17-Q91 HydrophobicContact CG1-CG 3.69Å
18G97.8Very high94Very high0 Ų057.5 Ų57.50%031%0.312CS..EExtended strand (participates in β ladder)trans-168.8160.2171.700000112.3Q16 A31 K89Q16-G18 VanDerWaalsContact NE2-CA 3.28Å; G18-A31 CarbonylContact C-O 3.59Å; G18-A31 WeakPolarHBondContact CA-O 3.36Å; G18-K89 PolarHBondContact N-O 3.11Å; G18-K89 PolarHBondContact O-N 3.45Å
19Y98.3Very high94.5Very high13 Ų1356.1 Ų56.15%0.05130%0.301CS..EExtended strand (participates in β ladder)trans-145.2158.3173.266.4-107.7000112.6T7 L10 E11 V21 A29 S30 A31 V87T7-Y19 WeakPolarHBondContact CB-OH 3.45Å; T7-Y19 HydrophobicContact CG2-CE2 3.82Å; L10-Y19 HydrophobicContact CB-CD1 3.77Å; L10-Y19 HydrophobicContact CB-CE1 4.21Å; L10-Y19 HydrophobicContact CB-CG 4.01Å; L10-Y19 HydrophobicContact CD1-CD1 4.37Å; L10-Y19 HydrophobicContact CD1-CD2 3.72Å; L10-Y19 HydrophobicContact CD1-CE2 4.27Å; L10-Y19 HydrophobicContact CD1-CG 3.81Å; E11-Y19 HydrophobicContact CG-CE1 3.79Å; Y19-V21 HydrophobicContact CD2-CG2 4.49Å; Y19-A29 HydrophobicContact CE2-CB 4.34Å; Y19-S30 VanDerWaalsContact O-CA 3.3Å; Y19-S30 WeakPolarHBondContact O-CA 3.38Å; Y19-A31 HydrophobicContact CD1-CB 4.04Å; Y19-A31 HydrophobicContact CD2-CB 4.48Å; Y19-A31 HydrophobicContact CE1-CB 3.46Å; Y19-A31 VanDerWaalsContact CE1-CB 3.46Å; Y19-A31 HydrophobicContact CE2-CB 3.93Å; Y19-A31 PolarHBondContact N-O 3.18Å; Y19-A31 PolarHBondContact O-N 3.32Å; Y19-A31 VanDerWaalsContact O-N 3.14Å; Y19-A31 WeakPolarHBondContact OH-CB 3.4Å; Y19-V87 CarbonylContact C-O 3.59Å; Y19-V87 WeakPolarHBondContact CA-O 3.49Å; Y19-V87 VanDerWaalsContact CB-O 3.28Å; Y19-V87 WeakPolarHBondContact CB-O 3.3Å
20L97.9Very high94.7Very high0 Ų055.3 Ų55.30%029%0.288CS..EExtended strand (participates in β ladder)trans-130.4140.9168.6-62.2161.9000109.6I22 V27 A29 L34 T40 A41 V87L20-I22 HydrophobicContact CB-CD1 4.21Å; L20-I22 HydrophobicContact CB-CG1 4.07Å; L20-V27 HydrophobicContact CD2-CG1 4.22Å; L20-A29 CarbonylContact C-O 3.59Å; L20-A29 WeakPolarHBondContact CA-O 3.43Å; L20-L34 HydrophobicContact CD1-CB 4.36Å; L20-L34 HydrophobicContact CD1-CD1 4.06Å; L20-L34 HydrophobicContact CD2-CB 4.14Å; L20-L34 WeakPolarHBondContact CD2-O 3.28Å; L20-L34 HydrophobicContact CG-CB 3.91Å; L20-L34 HydrophobicContact CG-CD1 3.96Å; L20-T40 HydrophobicContact CD1-CG2 4.08Å; L20-A41 HydrophobicContact CD1-CB 4.05Å; L20-V87 HydrophobicContact CB-CB 4.08Å; L20-V87 HydrophobicContact CB-CG2 4.4Å; L20-V87 PolarHBondContact N-O 3.04Å; L20-V87 PolarHBondContact O-N 3.05Å
21V97.1Very high94.9Very high3 Ų355.5 Ų55.52%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-119.2119.2166.3-174.80000107.4L10 Y19 L28 A29 K84 V85 F86L10-V21 HydrophobicContact CD1-CG2 3.72Å; Y19-V21 HydrophobicContact CD2-CG2 4.49Å; V21-L28 HydrophobicContact CB-CB 4.45Å; V21-L28 HydrophobicContact CG1-CB 4.29Å; V21-L28 HydrophobicContact CG1-CD1 4.33Å; V21-L28 PolarHBondContact O-N 3.3Å; V21-A29 HydrophobicContact CB-CB 4.14Å; V21-A29 HydrophobicContact CG2-CB 4.17Å; V21-A29 PolarHBondContact N-O 3.06Å; V21-A29 PolarHBondContact O-N 3.45Å; V21-K84 HydrophobicContact CG1-CB 4.41Å; V21-K84 HydrophobicContact CG1-CD 4.28Å; V21-V85 WeakPolarHBondContact CA-O 3.47Å; V21-F86 HydrophobicContact CG1-CD1 4.29Å; V21-F86 HydrophobicContact CG1-CE1 3.99Å; V21-F86 HydrophobicContact CG1-CZ 4.41Å; V21-F86 HydrophobicContact CG2-CD1 4Å; V21-F86 HydrophobicContact CG2-CE1 4.16Å
22I96.4Very high95.1Very high6 Ų652.3 Ų52.33%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-123.5135.3-169.3-47.4164.9000109.2L20 A41 M45 K84 V85 V87L20-I22 HydrophobicContact CB-CD1 4.21Å; L20-I22 HydrophobicContact CB-CG1 4.07Å; I22-A41 HydrophobicContact CD1-CB 3.7Å; I22-A41 HydrophobicContact CG1-CB 4.18Å; I22-M45 HydrophobicContact CB-CG 4.4Å; I22-M45 HydrophobicContact CB-SD 4.23Å; I22-M45 HydrophobicContact CD1-CG 4.13Å; I22-M45 HydrophobicContact CG2-CE 4.45Å; I22-M45 HydrophobicContact CG2-CG 3.64Å; I22-M45 HydrophobicContact CG2-SD 3.78Å; I22-K84 CarbonylContact O-C 3.52Å; I22-K84 VanDerWaalsContact O-CA 3.3Å; I22-K84 WeakPolarHBondContact O-CA 3.39Å; I22-V85 HydrophobicContact CB-CB 4.32Å; I22-V85 PolarHBondContact N-O 2.9Å; I22-V85 PolarHBondContact O-N 3.26Å; I22-V87 HydrophobicContact CD1-CG2 4.17Å
23S94.1Very high95.3Very high17 Ų1747.7 Ų47.712%0.11928%0.277CS..EExtended strand (participates in β ladder)trans-111.8-175.4167.464.80000110.7D25 G26S23-D25 PolarHBondContact O-N 2.88Å; S23-D25 PolarHBondContact OG-N 2.9Å; S23-G26 PolarHBondContact N-O 3.49Å; S23-G26 PolarHBondContact O-N 3.47Å; S23-G26 PolarHBondContact OG-O 3.22Å
24E89.1Confident95.5Very high154 Ų15445.2 Ų45.272%0.7227%0.265SS*.THydrogen-bonded Turntrans-64-28.7172.7-61.9-160.5146.200113.1
25D90.1Very high95.7Very high161 Ų16147 Ų4786%0.86127%0.265SS*.THydrogen-bonded Turntrans-83.4-12.1-178.5-52.3-54.8000113.6S23S23-D25 PolarHBondContact O-N 2.88Å; S23-D25 PolarHBondContact OG-N 2.9Å
26G91.1Very high95.7Very high29 Ų2950.8 Ų50.830%0.29929%0.285SS..EExtended strand (participates in β ladder)trans135.9-158.4179.200000114.4S23 L28S23-G26 PolarHBondContact N-O 3.49Å; S23-G26 PolarHBondContact O-N 3.47Å; S23-G26 PolarHBondContact OG-O 3.22Å; G26-L28 PolarHBondContact O-N 2.82Å
27V95.6Very high95.8Very high51 Ų5150.8 Ų50.831%0.30929%0.287SS..EExtended strand (participates in β ladder)trans-78.3119.6-179.9-178.50000109.7L20 A41L20-V27 HydrophobicContact CD2-CG1 4.22Å; V27-A41 HydrophobicContact CG2-CB 3.63Å
28L94.5Very high95.7Very high73 Ų7356.4 Ų56.438%0.38231%0.311SS..EExtended strand (participates in β ladder)trans-88-32.8177.7-62.9-178.2000113V21 G26 K84V21-L28 HydrophobicContact CB-CB 4.45Å; V21-L28 HydrophobicContact CG1-CB 4.29Å; V21-L28 HydrophobicContact CG1-CD1 4.33Å; V21-L28 PolarHBondContact O-N 3.3Å; G26-L28 PolarHBondContact O-N 2.82Å; L28-K84 HydrophobicContact CD1-CD 3.9Å; L28-K84 HydrophobicContact CD1-CG 4.14Å
29A96Very high95.6Very high16 Ų1663.3 Ų63.313%0.13234%0.343CS..EExtended strand (participates in β ladder)trans-156.9146.3177.200000110T3 T7 Y19 L20 V21T3-A29 HydrophobicContact CG2-CB 4Å; T7-A29 HydrophobicContact CG2-CB 3.66Å; Y19-A29 HydrophobicContact CE2-CB 4.34Å; L20-A29 CarbonylContact C-O 3.59Å; L20-A29 WeakPolarHBondContact CA-O 3.43Å; V21-A29 HydrophobicContact CB-CB 4.14Å; V21-A29 HydrophobicContact CG2-CB 4.17Å; V21-A29 PolarHBondContact N-O 3.06Å; V21-A29 PolarHBondContact O-N 3.45Å
30S96.6Very high95.6Very high27 Ų2763.6 Ų63.619%0.18935%0.346CS..EExtended strand (participates in β ladder)trans-146.7155.417466.20000109.9Y19 L34 N36Y19-S30 VanDerWaalsContact O-CA 3.3Å; Y19-S30 WeakPolarHBondContact O-CA 3.38Å; S30-L34 WeakPolarHBondContact CB-O 3.4Å; S30-N36 PolarHBondContact OG-N 2.91Å
31A97.5Very high95.6Very high22 Ų2263.9 Ų63.918%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-161.4164.4174.100000112.1G18 Y19 L34G18-A31 CarbonylContact C-O 3.59Å; G18-A31 WeakPolarHBondContact CA-O 3.36Å; Y19-A31 HydrophobicContact CD1-CB 4.04Å; Y19-A31 HydrophobicContact CD2-CB 4.48Å; Y19-A31 HydrophobicContact CE1-CB 3.46Å; Y19-A31 VanDerWaalsContact CE1-CB 3.46Å; Y19-A31 HydrophobicContact CE2-CB 3.93Å; Y19-A31 PolarHBondContact N-O 3.18Å; Y19-A31 PolarHBondContact O-N 3.32Å; Y19-A31 VanDerWaalsContact O-N 3.14Å; Y19-A31 WeakPolarHBondContact OH-CB 3.4Å; A31-L34 PolarHBondContact O-N 3.09Å
32G97.1Very high95.6Very high46 Ų4665.4 Ų65.447%0.47436%0.364SS..EExtended strand (participates in β ladder)trans65.6-139.7177.300000111.3V17 L34 E35V17-G32 WeakPolarHBondContact O-CA 3.42Å; G32-L34 PolarHBondContact O-N 2.93Å; G32-E35 VanDerWaalsContact O-CB 3.3Å; G32-E35 WeakPolarHBondContact O-CB 3.38Å; G32-E35 PolarHBondContact O-N 3.4Å
33E97.9Very high95.6Very high118 Ų11867.4 Ų67.455%0.55138%0.377SS*.THydrogen-bonded Turntrans-66.3-8.4-179.4-64.6-175.6175.700114.7V17 K89V17-E33 HydrophobicContact CB-CG 4.42Å; V17-E33 PolarHBondContact O-N 2.9Å; E33-K89 HydrophobicContact CB-CD 4.39Å; E33-K89 WeakPolarHBondContact OE2-CD 3.48Å; E33-K89 VanDerWaalsContact OE2-CE 3.25Å; E33-K89 WeakPolarHBondContact OE2-CE 3.47Å; E33-K89 IonicContact OE2-NZ 2.65Å; E33-K89 PolarHBondContact OE2-NZ 2.96Å
34L97.8Very high95.8Very high1 Ų166.9 Ų66.91%0.00537%0.373CS..THydrogen-bonded Turntrans-107.39.9176.2-62.6-178.5000112.7L20 S30 A31 G32 N36 D37 T40 Y76 V87 K89L20-L34 HydrophobicContact CD1-CB 4.36Å; L20-L34 HydrophobicContact CD1-CD1 4.06Å; L20-L34 HydrophobicContact CD2-CB 4.14Å; L20-L34 WeakPolarHBondContact CD2-O 3.28Å; L20-L34 HydrophobicContact CG-CB 3.91Å; L20-L34 HydrophobicContact CG-CD1 3.96Å; S30-L34 WeakPolarHBondContact CB-O 3.4Å; A31-L34 PolarHBondContact O-N 3.09Å; G32-L34 PolarHBondContact O-N 2.93Å; L34-N36 PolarHBondContact O-N 2.93Å; L34-D37 PolarHBondContact O-N 2.9Å; L34-D37 VanDerWaalsContact O-N 3.17Å; L34-T40 HydrophobicContact CD2-CG2 4.03Å; L34-Y76 HydrophobicContact CD1-CE1 4.08Å; L34-Y76 HydrophobicContact CD2-CE1 4.06Å; L34-V87 HydrophobicContact CD1-CG1 4.37Å; L34-K89 HydrophobicContact CD1-CB 3.98Å; L34-K89 HydrophobicContact CD2-CD 4.49Å; L34-K89 HydrophobicContact CG-CB 4.33Å
35E97.7Very high96.1Very high127 Ų12761 Ų6159%0.59335%0.345SS*.THydrogen-bonded Turntrans-59.1122178.8-172.4177-175.100111G32 D37G32-E35 VanDerWaalsContact O-CB 3.3Å; G32-E35 WeakPolarHBondContact O-CB 3.38Å; G32-E35 PolarHBondContact O-N 3.4Å; E35-D37 PolarHBondContact O-N 2.84Å; E35-D37 VanDerWaalsContact O-N 3.11Å
36N94.8Very high96.4Very high125 Ų12559.6 Ų59.667%0.66833%0.334SS*.THydrogen-bonded Turntrans5620.3-177.1-55-50000115.2S30 L34 E38S30-N36 PolarHBondContact OG-N 2.91Å; L34-N36 PolarHBondContact O-N 2.93Å; N36-E38 VanDerWaalsContact C-N 3.32Å; N36-E38 PolarHBondContact O-N 2.82Å
37D97.1Very high96.7Very high46 Ų4661.9 Ų61.925%0.24634%0.338CS..  trans-8277.3176.8-171.5-7.5000111.4L34 E35 H39 T40 A41L34-D37 PolarHBondContact O-N 2.9Å; L34-D37 VanDerWaalsContact O-N 3.17Å; E35-D37 PolarHBondContact O-N 2.84Å; E35-D37 VanDerWaalsContact O-N 3.11Å; D37-H39 PolarHBondContact O-N 3.33Å; D37-H39 PolarHBondContact OD1-N 2.6Å; D37-T40 VanDerWaalsContact CG-CB 3.46Å; D37-T40 VanDerWaalsContact CG-OG1 3.22Å; D37-T40 PolarHBondContact OD1-N 3.34Å; D37-T40 PolarHBondContact OD1-OG1 3.45Å; D37-T40 WeakPolarHBondContact OD2-CB 3.26Å; D37-T40 PolarHBondContact OD2-OG1 3.29Å; D37-A41 PolarHBondContact O-N 3.37Å; D37-A41 VanDerWaalsContact O-N 3.14Å
38E95.2Very high96.6Very high150 Ų15059.7 Ų59.770%0.70133%0.325SS*.Hα-helixtrans-65-26.8177.5-64.7-171.6161.200112.8N36 A41 G42N36-E38 VanDerWaalsContact C-N 3.32Å; N36-E38 PolarHBondContact O-N 2.82Å; E38-A41 WeakPolarHBondContact O-CB 3.44Å; E38-A41 PolarHBondContact O-N 3.03Å; E38-G42 PolarHBondContact O-N 2.93Å
39H96.7Very high96.6Very high145 Ų14562.8 Ų62.867%0.67133%0.331SS*.Hα-helixtrans-66.5-52.1178.5-18069.5000110.5D37 A41 G42 V43D37-H39 PolarHBondContact O-N 3.33Å; D37-H39 PolarHBondContact OD1-N 2.6Å; H39-A41 VanDerWaalsContact C-N 3.26Å; H39-A41 PolarHBondContact O-N 3.13Å; H39-G42 PolarHBondContact O-N 3.37Å; H39-G42 VanDerWaalsContact O-N 3.13Å; H39-V43 WeakPolarHBondContact O-CG2 3.4Å; H39-V43 PolarHBondContact O-N 3.14Å
40T97.3Very high96.5Very high19 Ų1965.4 Ų65.412%0.11735%0.345CS..Hα-helixtrans-60.2-38.8175.2-65.70000111L20 L34 D37 G42 V43 M44 Y76L20-T40 HydrophobicContact CD1-CG2 4.08Å; L34-T40 HydrophobicContact CD2-CG2 4.03Å; D37-T40 VanDerWaalsContact CG-CB 3.46Å; D37-T40 VanDerWaalsContact CG-OG1 3.22Å; D37-T40 PolarHBondContact OD1-N 3.34Å; D37-T40 PolarHBondContact OD1-OG1 3.45Å; D37-T40 WeakPolarHBondContact OD2-CB 3.26Å; D37-T40 PolarHBondContact OD2-OG1 3.29Å; T40-G42 PolarHBondContact O-N 3.36Å; T40-V43 PolarHBondContact O-N 3.44Å; T40-M44 HydrophobicContact CG2-CE 4.29Å; T40-M44 HydrophobicContact CG2-CG 4.15Å; T40-M44 WeakPolarHBondContact O-CB 3.38Å; T40-M44 VanDerWaalsContact O-CG 3.23Å; T40-M44 WeakPolarHBondContact O-CG 3.24Å; T40-M44 PolarHBondContact O-N 2.92Å; T40-Y76 HydrophobicContact CG2-CE1 4.44Å
41A97.5Very high96.3Very high5 Ų565.3 Ų65.34%0.04135%0.346CS..Hα-helixtrans-57.9-46174.200000112.3L20 I22 V27 D37 E38 H39 M44 M45L20-A41 HydrophobicContact CD1-CB 4.05Å; I22-A41 HydrophobicContact CD1-CB 3.7Å; I22-A41 HydrophobicContact CG1-CB 4.18Å; V27-A41 HydrophobicContact CG2-CB 3.63Å; D37-A41 PolarHBondContact O-N 3.37Å; D37-A41 VanDerWaalsContact O-N 3.14Å; E38-A41 WeakPolarHBondContact O-CB 3.44Å; E38-A41 PolarHBondContact O-N 3.03Å; H39-A41 VanDerWaalsContact C-N 3.26Å; H39-A41 PolarHBondContact O-N 3.13Å; A41-M44 PolarHBondContact O-N 3.02Å; A41-M45 WeakPolarHBondContact O-CB 3.41Å; A41-M45 WeakPolarHBondContact O-CG 3.49Å; A41-M45 PolarHBondContact O-N 3.11Å
42G97.3Very high95.9Very high35 Ų3566 Ų6636%0.36135%0.349SS..Hα-helixtrans-61.2-46.3177.200000113E38 H39 T40 M45 Q46E38-G42 PolarHBondContact O-N 2.93Å; H39-G42 PolarHBondContact O-N 3.37Å; H39-G42 VanDerWaalsContact O-N 3.13Å; T40-G42 PolarHBondContact O-N 3.36Å; G42-M45 PolarHBondContact O-N 3.42Å; G42-Q46 WeakPolarHBondContact O-CG 3.36Å; G42-Q46 PolarHBondContact O-N 3.19Å
43V97.7Very high95.5Very high49 Ų4973.6 Ų73.630%0.29736%0.364SS..Hα-helixtrans-62.4-47177.6174.50000111H39 T40 M45 Q46 M47H39-V43 WeakPolarHBondContact O-CG2 3.4Å; H39-V43 PolarHBondContact O-N 3.14Å; T40-V43 PolarHBondContact O-N 3.44Å; V43-M45 VanDerWaalsContact C-N 3.33Å; V43-M45 PolarHBondContact O-N 2.92Å; V43-Q46 PolarHBondContact O-N 2.99Å; V43-M47 HydrophobicContact CG1-CE 3.85Å; V43-M47 HydrophobicContact CG1-SD 4.31Å; V43-M47 WeakPolarHBondContact O-CG 3.46Å; V43-M47 PolarHBondContact O-N 3.22Å
44M97.3Very high94.9Very high6 Ų675.2 Ų75.23%0.0337%0.369CS..Hα-helixtrans-61.9-40.5179.2-70.5-65.5163.400112T40 A41 M47 V48 Y76 V78 V87T40-M44 HydrophobicContact CG2-CE 4.29Å; T40-M44 HydrophobicContact CG2-CG 4.15Å; T40-M44 WeakPolarHBondContact O-CB 3.38Å; T40-M44 VanDerWaalsContact O-CG 3.23Å; T40-M44 WeakPolarHBondContact O-CG 3.24Å; T40-M44 PolarHBondContact O-N 2.92Å; A41-M44 PolarHBondContact O-N 3.02Å; M44-M47 PolarHBondContact O-N 2.83Å; M44-M47 HydrophobicContact SD-SD 4.38Å; M44-V48 WeakPolarHBondContact O-CB 3.48Å; M44-V48 WeakPolarHBondContact O-CG2 3.23Å; M44-V48 PolarHBondContact O-N 2.86Å; M44-Y76 HydrophobicContact CE-CD1 3.96Å; M44-Y76 HydrophobicContact CE-CD2 3.27Å; M44-Y76 HydrophobicContact CE-CE1 4.4Å; M44-Y76 HydrophobicContact CE-CE2 3.72Å; M44-Y76 HydrophobicContact CE-CG 3.38Å; M44-V78 HydrophobicContact SD-CG2 3.87Å; M44-V87 HydrophobicContact CB-CG2 4Å; M44-V87 HydrophobicContact CG-CG1 4.2Å; M44-V87 HydrophobicContact CG-CG2 4.07Å; M44-V87 HydrophobicContact SD-CG1 4.41Å
45M95.9Very high94Very high29 Ų2982 Ų8214%0.14340%0.395CS..Hα-helixtrans-62.6-41.7174.9-79.1-65.1-75.200112.5I22 A41 G42 V43 V48 R49 V85I22-M45 HydrophobicContact CB-CG 4.4Å; I22-M45 HydrophobicContact CB-SD 4.23Å; I22-M45 HydrophobicContact CD1-CG 4.13Å; I22-M45 HydrophobicContact CG2-CE 4.45Å; I22-M45 HydrophobicContact CG2-CG 3.64Å; I22-M45 HydrophobicContact CG2-SD 3.78Å; A41-M45 WeakPolarHBondContact O-CB 3.41Å; A41-M45 WeakPolarHBondContact O-CG 3.49Å; A41-M45 PolarHBondContact O-N 3.11Å; G42-M45 PolarHBondContact O-N 3.42Å; V43-M45 VanDerWaalsContact C-N 3.33Å; V43-M45 PolarHBondContact O-N 2.92Å; M45-V48 PolarHBondContact O-N 2.91Å; M45-R49 WeakPolarHBondContact O-CB 3.33Å; M45-R49 VanDerWaalsContact O-CG 3.28Å; M45-R49 WeakPolarHBondContact O-CG 3.36Å; M45-R49 PolarHBondContact O-N 3.07Å; M45-V85 HydrophobicContact SD-CB 3.98Å; M45-V85 HydrophobicContact SD-CG2 3.52Å; M45-V85 VanDerWaalsContact SD-CG2 3.52Å
46Q96.3Very high93.1Very high133 Ų13382.7 Ų82.762%0.62140%0.402SS*.Hα-helixtrans-64.4-43.3176-73.6-179.6-13.600111.9G42 V43 R49 T50G42-Q46 WeakPolarHBondContact O-CG 3.36Å; G42-Q46 PolarHBondContact O-N 3.19Å; V43-Q46 PolarHBondContact O-N 2.99Å; Q46-R49 PolarHBondContact O-N 2.76Å; Q46-T50 WeakPolarHBondContact O-CB 3.25Å; Q46-T50 PolarHBondContact O-N 2.89Å; Q46-T50 PolarHBondContact O-OG1 2.87Å
47M96.4Very high92.4Very high76 Ų7683 Ų8337%0.37441%0.413SS..Hα-helixtrans-59.8-48.8175.2-71.6-178.3172.700111.3V43 M44 R49 T50 A51 M67 V69V43-M47 HydrophobicContact CG1-CE 3.85Å; V43-M47 HydrophobicContact CG1-SD 4.31Å; V43-M47 WeakPolarHBondContact O-CG 3.46Å; V43-M47 PolarHBondContact O-N 3.22Å; M44-M47 PolarHBondContact O-N 2.83Å; M44-M47 HydrophobicContact SD-SD 4.38Å; M47-R49 PolarHBondContact O-N 3.06Å; M47-T50 PolarHBondContact O-N 3.47Å; M47-A51 WeakPolarHBondContact O-CB 3.28Å; M47-A51 PolarHBondContact O-N 2.84Å; M47-M67 HydrophobicContact CB-CE 3.8Å; M47-M67 HydrophobicContact CB-SD 4.23Å; M47-V69 HydrophobicContact SD-CG2 4.06Å
48V94.6Very high91.5Very high6 Ų684.8 Ų84.84%0.03644%0.443CS..Hα-helixtrans-59.7-48.4177.9165.90000111.6M44 M45 T50 A51 C52 F64 M67 V78 I80 V85M44-V48 WeakPolarHBondContact O-CB 3.48Å; M44-V48 WeakPolarHBondContact O-CG2 3.23Å; M44-V48 PolarHBondContact O-N 2.86Å; M45-V48 PolarHBondContact O-N 2.91Å; V48-T50 PolarHBondContact O-N 2.65Å; V48-A51 PolarHBondContact O-N 2.87Å; V48-C52 WeakPolarHBondContact O-CB 3.19Å; V48-C52 PolarHBondContact O-N 2.82Å; V48-C52 PolarHBondContact O-SG 2.84Å; V48-F64 HydrophobicContact CG1-CZ 4.44Å; V48-M67 HydrophobicContact CG2-CE 3.75Å; V48-V78 HydrophobicContact CG2-CG1 3.59Å; V48-I80 HydrophobicContact CG1-CD1 3.41Å; V48-I80 VanDerWaalsContact CG1-CD1 3.41Å; V48-I80 HydrophobicContact CG1-CG1 3.89Å; V48-V85 HydrophobicContact CG1-CG2 4.16Å; V48-V85 HydrophobicContact CG2-CG1 4.03Å
49R93.3Very high90.7Very high138 Ų13879.8 Ų79.852%0.52143%0.425SS..Hα-helixtrans-59.6-38.6178.2-76.4174.4175.4179.70.3111.8M45 Q46 M47 R53M45-R49 WeakPolarHBondContact O-CB 3.33Å; M45-R49 VanDerWaalsContact O-CG 3.28Å; M45-R49 WeakPolarHBondContact O-CG 3.36Å; M45-R49 PolarHBondContact O-N 3.07Å; Q46-R49 PolarHBondContact O-N 2.76Å; M47-R49 PolarHBondContact O-N 3.06Å; R49-R53 WeakPolarHBondContact O-CG 3.19Å
50T94.1Very high89.7Confident70 Ų7079.4 Ų79.443%0.42943%0.433SS..Hα-helixtrans-69.9-49.3178.4-59.10000110.7Q46 M47 V48 C52 R53 F54Q46-T50 WeakPolarHBondContact O-CB 3.25Å; Q46-T50 PolarHBondContact O-N 2.89Å; Q46-T50 PolarHBondContact O-OG1 2.87Å; M47-T50 PolarHBondContact O-N 3.47Å; V48-T50 PolarHBondContact O-N 2.65Å; T50-C52 VanDerWaalsContact C-N 3.26Å; T50-C52 PolarHBondContact O-N 2.87Å; T50-R53 WeakPolarHBondContact O-CB 3.5Å; T50-R53 PolarHBondContact O-N 2.97Å; T50-F54 HydrophobicContact CG2-CE2 3.97Å; T50-F54 WeakPolarHBondContact O-CD2 3.45Å; T50-F54 WeakPolarHBondContact O-CE2 3.21Å
51A92.5Very high88.8Confident25 Ų2584.2 Ų84.221%0.20746%0.458CS..Hα-helixtrans-56.4-39.8175.600000112M47 V48 R53 F54 F64 M67M47-A51 WeakPolarHBondContact O-CB 3.28Å; M47-A51 PolarHBondContact O-N 2.84Å; V48-A51 PolarHBondContact O-N 2.87Å; A51-R53 PolarHBondContact O-N 2.91Å; A51-F54 PolarHBondContact O-N 2.84Å; A51-F64 HydrophobicContact CB-CD1 4.15Å; A51-F64 HydrophobicContact CB-CE1 3.47Å; A51-F64 VanDerWaalsContact CB-CE1 3.47Å; A51-F64 HydrophobicContact CB-CZ 4.1Å; A51-M67 HydrophobicContact CB-SD 4.19Å
52C89.4Confident87.9Confident37 Ų3787.3 Ų87.325%0.2548%0.484CS..THydrogen-bonded Turntrans-66-19.1179-76.90000114.8V48 T50 F54 P63 I80V48-C52 WeakPolarHBondContact O-CB 3.19Å; V48-C52 PolarHBondContact O-N 2.82Å; V48-C52 PolarHBondContact O-SG 2.84Å; T50-C52 VanDerWaalsContact C-N 3.26Å; T50-C52 PolarHBondContact O-N 2.87Å; C52-F54 VanDerWaalsContact C-N 3.3Å; C52-P63 HydrophobicContact CB-CG 4.22Å; C52-I80 VanDerWaalsContact SG-CD1 3.57Å
53R88.9Confident87.3Confident206 Ų20687.5 Ų87.578%0.77748%0.479SS*.THydrogen-bonded Turntrans-75.9-21.4174-66.9173.4-179.6177.5-0.9112.2R49 T50 A51 R55R49-R53 WeakPolarHBondContact O-CG 3.19Å; T50-R53 WeakPolarHBondContact O-CB 3.5Å; T50-R53 PolarHBondContact O-N 2.97Å; A51-R53 PolarHBondContact O-N 2.91Å; R53-R55 PolarHBondContact O-N 2.99Å
54F84.7Confident87Confident152 Ų15287.3 Ų87.367%0.66747%0.474SS*.  trans-84.496.1176-62-81.5000109.2T50 A51 C52 P63T50-F54 HydrophobicContact CG2-CE2 3.97Å; T50-F54 WeakPolarHBondContact O-CD2 3.45Å; T50-F54 WeakPolarHBondContact O-CE2 3.21Å; A51-F54 PolarHBondContact O-N 2.84Å; C52-F54 VanDerWaalsContact C-N 3.3Å; F54-P63 WeakPolarHBondContact O-CB 3.16Å
55R79.8Confident86.7Confident142 Ų14296.3 Ų96.354%0.53651%0.513SS..  trans-104.8132.3168.7-66.1-166.4179.6-102.73.8109.2R53 S57 D61 P63R53-R55 PolarHBondContact O-N 2.99Å; R55-S57 PolarHBondContact O-N 3.48Å; R55-D61 PolarHBondContact NH1-O 3.46Å; R55-P63 HydrophobicContact CG-CB 4.45Å
56L78Confident86.7Confident143 Ų143102.9 Ų102.975%0.74954%0.536SS*.  trans-63.6128.4167.7-75.6155.4000107.9G58 S59L56-G58 PolarHBondContact O-N 3.2Å; L56-S59 PolarHBondContact O-N 2.95Å; L56-S59 VanDerWaalsContact O-N 3.09Å; L56-S59 PolarHBondContact O-OG 3.27Å
57S79.5Confident86.7Confident130 Ų13098.1 Ų98.191%0.90951%0.514SS*.THydrogen-bonded Turntrans-56.6126.2-178.1-54.60000110.2R55R55-S57 PolarHBondContact O-N 3.48Å
58G78.3Confident86.7Confident85 Ų8597.2 Ų97.288%0.87652%0.515SS*.THydrogen-bonded Turntrans89.1-3.7-179.800000115.8L56L56-G58 PolarHBondContact O-N 3.2Å
59S78.8Confident86.9Confident45 Ų4598.8 Ų98.832%0.31553%0.525SS..  trans-87.1127.1174.8750000111.9L56 D61L56-S59 PolarHBondContact O-N 2.95Å; L56-S59 VanDerWaalsContact O-N 3.09Å; L56-S59 PolarHBondContact O-OG 3.27Å; S59-D61 VanDerWaalsContact C-N 3.34Å
60T76.1Confident87Confident137 Ų13798.2 Ų98.284%0.8453%0.531SS*.  trans-84.1-12.1169.150.90000113
61D78Confident87Confident119 Ų11998.4 Ų98.464%0.63653%0.529SS*.SBendtrans-73.4167.4-174.9-70.9-20000113.1R55 S59R55-D61 PolarHBondContact NH1-O 3.46Å; S59-D61 VanDerWaalsContact C-N 3.34Å
62A78.8Confident87Confident71 Ų71105.4 Ų105.459%0.58756%0.557SS**  trans-56.1140.6167.800000110.1F64A62-F64 PolarHBondContact O-N 2.87Å; A62-F64 VanDerWaalsContact O-N 3.12Å
63P84.8Confident87.2Confident39 Ų39109.3 Ų109.325%0.25358%0.576SS.*SBendtrans-61.3-26.9-17522.6-30.8000112.6C52 F54 R55C52-P63 HydrophobicContact CB-CG 4.22Å; F54-P63 WeakPolarHBondContact O-CB 3.16Å; R55-P63 HydrophobicContact CG-CB 4.45Å
64F91.3Very high87.5Confident45 Ų45101.7 Ų101.720%0.19755%0.548CS..  trans-156.8156171.655.7-88.4000110.1V48 A51 A62 M67 I80V48-F64 HydrophobicContact CG1-CZ 4.44Å; A51-F64 HydrophobicContact CB-CD1 4.15Å; A51-F64 HydrophobicContact CB-CE1 3.47Å; A51-F64 VanDerWaalsContact CB-CE1 3.47Å; A51-F64 HydrophobicContact CB-CZ 4.1Å; A62-F64 PolarHBondContact O-N 2.87Å; A62-F64 VanDerWaalsContact O-N 3.12Å; F64-M67 HydrophobicContact CD2-CB 4.17Å; F64-M67 HydrophobicContact CE2-CB 3.95Å; F64-M67 HydrophobicContact CZ-CB 4.5Å; F64-I80 HydrophobicContact CE2-CD1 4.38Å; F64-I80 HydrophobicContact CE2-CG1 4.47Å; F64-I80 HydrophobicContact CZ-CD1 4.01Å
65K92.3Very high88.1Confident194 Ų19495.3 Ų95.384%0.84352%0.522SS*.SBendtrans-86.4-32.1168.5-68.1-177.7179.8177.10112.3T79K65-T79 WeakPolarHBondContact O-CG2 3.37Å; K65-T79 PolarHBondContact O-OG1 3.42Å
66R95.1Very high89Confident168 Ų16889.8 Ų89.863%0.63450%0.501SS*.  trans-153.2134-175.4-169169.774.2-172.5-2.2110V77 V78R66-V77 VanDerWaalsContact CD-CG1 3.44Å; R66-V77 HydrophobicContact CG-CG1 3.71Å; R66-V78 CarbonylContact C-O 3.56Å; R66-V78 WeakPolarHBondContact CA-O 3.15Å
67M96.3Very high89.9Confident32 Ų3284.3 Ų84.316%0.15847%0.473CS..EExtended strand (participates in β ladder)trans-106.4136.2169.6179.1179.675.100107.8M47 V48 A51 F64 V78M47-M67 HydrophobicContact CB-CE 3.8Å; M47-M67 HydrophobicContact CB-SD 4.23Å; V48-M67 HydrophobicContact CG2-CE 3.75Å; A51-M67 HydrophobicContact CB-SD 4.19Å; F64-M67 HydrophobicContact CD2-CB 4.17Å; F64-M67 HydrophobicContact CE2-CB 3.95Å; F64-M67 HydrophobicContact CZ-CB 4.5Å; M67-V78 HydrophobicContact CB-CB 4.33Å; M67-V78 HydrophobicContact CE-CB 3.98Å; M67-V78 HydrophobicContact CE-CG1 4.16Å; M67-V78 HydrophobicContact CE-CG2 4.01Å; M67-V78 PolarHBondContact N-O 3.09Å; M67-V78 PolarHBondContact O-N 3.25Å
68S97Very high90.8Very high57 Ų5778.1 Ų78.140%0.39943%0.43SS..EExtended strand (participates in β ladder)trans-126128.4177.2-570000109.8Y76S68-Y76 CarbonylContact C-O 3.51Å; S68-Y76 VanDerWaalsContact CA-O 3.26Å; S68-Y76 WeakPolarHBondContact CA-O 3.17Å
69V97.3Very high91.7Very high40 Ų4076.4 Ų76.424%0.24240%0.403CS..EExtended strand (participates in β ladder)trans-106.3104.7171.7-173.40000106.5M47 L71 V75 Y76M47-V69 HydrophobicContact SD-CG2 4.06Å; V69-L71 HydrophobicContact CG1-CD1 3.95Å; V69-V75 WeakPolarHBondContact O-CA 3.16Å; V69-Y76 HydrophobicContact CB-CD2 4.37Å; V69-Y76 PolarHBondContact N-O 3.02Å; V69-Y76 PolarHBondContact O-N 3.25Å
70I96.1Very high92.4Very high126 Ų12677.6 Ų77.665%0.64641%0.405SS*.EExtended strand (participates in β ladder)trans-93.5118.2-175.1-55.8171.9000107.8V75I70-V75 HydrophobicContact CG1-CG2 3.96Å
71L94.4Very high93.2Very high73 Ų7374.7 Ų74.738%0.38239%0.39SS..  trans-112.4176.6170.3-59.5102.6000109.2V69 F74 Y76 N92V69-L71 HydrophobicContact CG1-CD1 3.95Å; L71-F74 CarbonylContact C-O 3.5Å; L71-F74 WeakPolarHBondContact CA-O 3.3Å; L71-F74 HydrophobicContact CB-CE2 4.45Å; L71-F74 WeakPolarHBondContact CB-O 3.48Å; L71-F74 HydrophobicContact CD1-CD2 3.93Å; L71-F74 HydrophobicContact CD1-CE2 3.56Å; L71-F74 HydrophobicContact CD1-CZ 4.24Å; L71-F74 HydrophobicContact CD2-CE2 4.42Å; L71-F74 HydrophobicContact CD2-CZ 4.31Å; L71-F74 HydrophobicContact CG-CE2 4.36Å; L71-F74 PolarHBondContact N-O 3.21Å; L71-Y76 HydrophobicContact CD1-CD2 3.91Å; L71-Y76 HydrophobicContact CD1-CE2 4.11Å; L71-N92 PolarHBondContact O-ND2 2.89Å; L71-N92 VanDerWaalsContact O-ND2 3.09Å
72E91.6Very high93.7Very high172 Ų17272.1 Ų72.180%0.80439%0.392SS*.SBendtrans-58.5-55.6-176.2-170.4167.9-172.400111.7N92E72-N92 PolarHBondContact O-ND2 3.37Å
73D94Very high94.3Very high119 Ų11976.8 Ų76.864%0.63640%0.402SS*.SBendtrans-94.1-19.2-173.3-57.6-44.4000114.5N92D73-N92 VanDerWaalsContact C-CB 3.44Å; D73-N92 WeakPolarHBondContact O-CB 3.45Å; D73-N92 PolarHBondContact O-N 3.4Å
74F95.9Very high94.7Very high47 Ų4777.6 Ų77.621%0.20640%0.401CS..EExtended strand (participates in β ladder)trans-150.8160.3-175.358.9-91.5000112.8L71 Y76 K89 R90L71-F74 CarbonylContact C-O 3.5Å; L71-F74 WeakPolarHBondContact CA-O 3.3Å; L71-F74 HydrophobicContact CB-CE2 4.45Å; L71-F74 WeakPolarHBondContact CB-O 3.48Å; L71-F74 HydrophobicContact CD1-CD2 3.93Å; L71-F74 HydrophobicContact CD1-CE2 3.56Å; L71-F74 HydrophobicContact CD1-CZ 4.24Å; L71-F74 HydrophobicContact CD2-CE2 4.42Å; L71-F74 HydrophobicContact CD2-CZ 4.31Å; L71-F74 HydrophobicContact CG-CE2 4.36Å; L71-F74 PolarHBondContact N-O 3.21Å; F74-Y76 HydrophobicContact CD2-CD2 4.35Å; F74-Y76 HydrophobicContact CD2-CE2 4.02Å; F74-Y76 HydrophobicContact CE2-CD2 4.07Å; F74-Y76 HydrophobicContact CE2-CE1 4.4Å; F74-Y76 AromaticContact CE2-CE2 3.38Å; F74-Y76 HydrophobicContact CE2-CE2 3.38Å; F74-Y76 AromaticContact CE2-CZ 3.53Å; F74-Y76 HydrophobicContact CZ-CE2 4.42Å; F74-K89 HydrophobicContact CB-CG 4.22Å; F74-K89 HydrophobicContact CD2-CD 4.2Å; F74-K89 HydrophobicContact CD2-CG 3.96Å; F74-K89 HydrophobicContact CG-CD 4.43Å; F74-K89 HydrophobicContact CG-CG 4.26Å; F74-R90 CarbonylContact C-O 3.58Å; F74-R90 WeakPolarHBondContact CA-O 3.43Å; F74-R90 WeakPolarHBondContact CB-O 3.34Å
75V97.3Very high95Very high18 Ų1875.9 Ų75.911%0.10939%0.394CS..EExtended strand (participates in β ladder)trans-122.2133174.460.50000109.8V69 I70 V77 R90V69-V75 WeakPolarHBondContact O-CA 3.16Å; I70-V75 HydrophobicContact CG1-CG2 3.96Å; V75-V77 HydrophobicContact CG1-CG2 4.23Å; V75-V77 HydrophobicContact CG2-CG2 4.13Å; V75-R90 HydrophobicContact CG1-CB 3.91Å; V75-R90 PolarHBondContact N-O 3.33Å; V75-R90 PolarHBondContact O-N 2.81Å
76Y98.1Very high95.2Very high26 Ų2668 Ų6810%0.10236%0.36CS..EExtended strand (participates in β ladder)trans-89124.8163.3-65.4-67.9000109.6L34 T40 M44 S68 V69 L71 F74 V87 V88 K89L34-Y76 HydrophobicContact CD1-CE1 4.08Å; L34-Y76 HydrophobicContact CD2-CE1 4.06Å; T40-Y76 HydrophobicContact CG2-CE1 4.44Å; M44-Y76 HydrophobicContact CE-CD1 3.96Å; M44-Y76 HydrophobicContact CE-CD2 3.27Å; M44-Y76 HydrophobicContact CE-CE1 4.4Å; M44-Y76 HydrophobicContact CE-CE2 3.72Å; M44-Y76 HydrophobicContact CE-CG 3.38Å; S68-Y76 CarbonylContact C-O 3.51Å; S68-Y76 VanDerWaalsContact CA-O 3.26Å; S68-Y76 WeakPolarHBondContact CA-O 3.17Å; V69-Y76 HydrophobicContact CB-CD2 4.37Å; V69-Y76 PolarHBondContact N-O 3.02Å; V69-Y76 PolarHBondContact O-N 3.25Å; L71-Y76 HydrophobicContact CD1-CD2 3.91Å; L71-Y76 HydrophobicContact CD1-CE2 4.11Å; F74-Y76 HydrophobicContact CD2-CD2 4.35Å; F74-Y76 HydrophobicContact CD2-CE2 4.02Å; F74-Y76 HydrophobicContact CE2-CD2 4.07Å; F74-Y76 HydrophobicContact CE2-CE1 4.4Å; F74-Y76 AromaticContact CE2-CE2 3.38Å; F74-Y76 HydrophobicContact CE2-CE2 3.38Å; F74-Y76 AromaticContact CE2-CZ 3.53Å; F74-Y76 HydrophobicContact CZ-CE2 4.42Å; Y76-V87 HydrophobicContact CD1-CG1 4.03Å; Y76-V88 WeakPolarHBondContact CA-O 3.47Å; Y76-K89 HydrophobicContact CD1-CB 3.93Å; Y76-K89 HydrophobicContact CD1-CG 4.11Å; Y76-K89 HydrophobicContact CE1-CB 3.73Å; Y76-K89 HydrophobicContact CE1-CD 3.88Å; Y76-K89 HydrophobicContact CE1-CG 3.68Å
77V97.7Very high95.4Very high27 Ų2760 Ų6016%0.16433%0.33CS..EExtended strand (participates in β ladder)trans-110.5120.8175.9-1750000108.5R66 V75 V87 V88R66-V77 VanDerWaalsContact CD-CG1 3.44Å; R66-V77 HydrophobicContact CG-CG1 3.71Å; V75-V77 HydrophobicContact CG1-CG2 4.23Å; V75-V77 HydrophobicContact CG2-CG2 4.13Å; V77-V87 WeakPolarHBondContact O-CA 3.44Å; V77-V88 PolarHBondContact N-O 3.17Å; V77-V88 PolarHBondContact O-N 3.21Å
78V97.9Very high95.5Very high0 Ų059 Ų590%033%0.325CS..EExtended strand (participates in β ladder)trans-125131-171.1-171.10000111.5M44 V48 R66 M67 V85 F86 V87M44-V78 HydrophobicContact SD-CG2 3.87Å; V48-V78 HydrophobicContact CG2-CG1 3.59Å; R66-V78 CarbonylContact C-O 3.56Å; R66-V78 WeakPolarHBondContact CA-O 3.15Å; M67-V78 HydrophobicContact CB-CB 4.33Å; M67-V78 HydrophobicContact CE-CB 3.98Å; M67-V78 HydrophobicContact CE-CG1 4.16Å; M67-V78 HydrophobicContact CE-CG2 4.01Å; M67-V78 PolarHBondContact N-O 3.09Å; M67-V78 PolarHBondContact O-N 3.25Å; V78-V85 HydrophobicContact CG1-CG1 3.58Å; V78-F86 CarbonylContact C-O 3.5Å; V78-F86 VanDerWaalsContact CA-O 3.24Å; V78-F86 WeakPolarHBondContact CA-O 3.39Å; V78-V87 HydrophobicContact CG1-CG2 4.18Å; V78-V87 HydrophobicContact CG2-CB 4.47Å; V78-V87 HydrophobicContact CG2-CG1 4.14Å; V78-V87 HydrophobicContact CG2-CG2 4.14Å
79T96.1Very high95.5Very high49 Ų4957.4 Ų57.430%0.30131%0.311SS..EExtended strand (participates in β ladder)trans-138.7149.6176.7-64.80000110.7K65 F86K65-T79 WeakPolarHBondContact O-CG2 3.37Å; K65-T79 PolarHBondContact O-OG1 3.42Å; T79-F86 PolarHBondContact N-O 2.83Å; T79-F86 PolarHBondContact O-N 3.07Å
80I94.4Very high95.5Very high71 Ų7158.8 Ų58.836%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-106.4128.9174.9-45.5173.7000108.9V48 C52 F64 K84 V85V48-I80 HydrophobicContact CG1-CD1 3.41Å; V48-I80 VanDerWaalsContact CG1-CD1 3.41Å; V48-I80 HydrophobicContact CG1-CG1 3.89Å; C52-I80 VanDerWaalsContact SG-CD1 3.57Å; F64-I80 HydrophobicContact CE2-CD1 4.38Å; F64-I80 HydrophobicContact CE2-CG1 4.47Å; F64-I80 HydrophobicContact CZ-CD1 4.01Å; I80-K84 WeakPolarHBondContact CA-O 3.39Å; I80-V85 HydrophobicContact CG1-CG2 4.41Å
81S92.1Very high95.5Very high75 Ų7557.3 Ų57.352%0.52430%0.303SS..EExtended strand (participates in β ladder)trans-149133.6172.3-176.70000110.7Q83 K84S81-Q83 VanDerWaalsContact C-N 3.3Å; S81-Q83 PolarHBondContact O-N 2.91Å; S81-K84 PolarHBondContact N-O 3.14Å; S81-K84 WeakPolarHBondContact O-CB 3.3Å; S81-K84 PolarHBondContact O-N 2.9Å
82G89.9Confident95.2Very high66 Ų6656.4 Ų56.468%0.6830%0.298SS*.THydrogen-bonded Turntrans54.542.9177.100000114K84G82-K84 PolarHBondContact O-N 3.41Å
83Q89.9Confident94.7Very high169 Ų16951.7 Ų51.779%0.7928%0.278SS*.THydrogen-bonded Turntrans62.814.8-176.5-55.717580.400114.9S81S81-Q83 VanDerWaalsContact C-N 3.3Å; S81-Q83 PolarHBondContact O-N 2.91Å
84K94.5Very high93.4Very high55 Ų5554.9 Ų54.924%0.23929%0.29CS..EExtended strand (participates in β ladder)trans-112.6142174.7-62.2173.5-174.5176.40110.2L6 V21 I22 L28 I80 S81 G82 F86L6-K84 HydrophobicContact CD1-CD 4.42Å; V21-K84 HydrophobicContact CG1-CB 4.41Å; V21-K84 HydrophobicContact CG1-CD 4.28Å; I22-K84 CarbonylContact O-C 3.52Å; I22-K84 VanDerWaalsContact O-CA 3.3Å; I22-K84 WeakPolarHBondContact O-CA 3.39Å; L28-K84 HydrophobicContact CD1-CD 3.9Å; L28-K84 HydrophobicContact CD1-CG 4.14Å; I80-K84 WeakPolarHBondContact CA-O 3.39Å; S81-K84 PolarHBondContact N-O 3.14Å; S81-K84 WeakPolarHBondContact O-CB 3.3Å; S81-K84 PolarHBondContact O-N 2.9Å; G82-K84 PolarHBondContact O-N 3.41Å; K84-F86 HydrophobicContact CB-CD2 4.39Å; K84-F86 HydrophobicContact CB-CE2 3.7Å; K84-F86 HydrophobicContact CB-CZ 4.05Å; K84-F86 HydrophobicContact CD-CZ 4.37Å
85V96.4Very high91.8Very high9 Ų958.8 Ų58.86%0.05531%0.308CS..EExtended strand (participates in β ladder)trans-97.3124.8170.8179.50000108.2V21 I22 M45 V48 V78 I80 V87V21-V85 WeakPolarHBondContact CA-O 3.47Å; I22-V85 HydrophobicContact CB-CB 4.32Å; I22-V85 PolarHBondContact N-O 2.9Å; I22-V85 PolarHBondContact O-N 3.26Å; M45-V85 HydrophobicContact SD-CB 3.98Å; M45-V85 HydrophobicContact SD-CG2 3.52Å; M45-V85 VanDerWaalsContact SD-CG2 3.52Å; V48-V85 HydrophobicContact CG1-CG2 4.16Å; V48-V85 HydrophobicContact CG2-CG1 4.03Å; V78-V85 HydrophobicContact CG1-CG1 3.58Å; I80-V85 HydrophobicContact CG1-CG2 4.41Å; V85-V87 HydrophobicContact CG1-CG2 4.11Å
86F97.4Very high90Very high30 Ų3066 Ų6613%0.13234%0.341CS..EExtended strand (participates in β ladder)trans-106122.4176.6-63.6-95.8000107.9L6 L10 V21 V78 T79 K84L6-F86 HydrophobicContact CD2-CE1 4.49Å; L6-F86 HydrophobicContact CD2-CZ 4.33Å; L10-F86 HydrophobicContact CD1-CD1 4.22Å; L10-F86 HydrophobicContact CD2-CD1 4.33Å; V21-F86 HydrophobicContact CG1-CD1 4.29Å; V21-F86 HydrophobicContact CG1-CE1 3.99Å; V21-F86 HydrophobicContact CG1-CZ 4.41Å; V21-F86 HydrophobicContact CG2-CD1 4Å; V21-F86 HydrophobicContact CG2-CE1 4.16Å; V78-F86 CarbonylContact C-O 3.5Å; V78-F86 VanDerWaalsContact CA-O 3.24Å; V78-F86 WeakPolarHBondContact CA-O 3.39Å; T79-F86 PolarHBondContact N-O 2.83Å; T79-F86 PolarHBondContact O-N 3.07Å; K84-F86 HydrophobicContact CB-CD2 4.39Å; K84-F86 HydrophobicContact CB-CE2 3.7Å; K84-F86 HydrophobicContact CB-CZ 4.05Å; K84-F86 HydrophobicContact CD-CZ 4.37Å
87V98.2Very high88.5Confident0 Ų070.3 Ų70.30%037%0.372CS..EExtended strand (participates in β ladder)trans-118.1131176.6-176.40000107.8Y19 L20 I22 L34 M44 Y76 V77 V78 V85Y19-V87 CarbonylContact C-O 3.59Å; Y19-V87 WeakPolarHBondContact CA-O 3.49Å; Y19-V87 VanDerWaalsContact CB-O 3.28Å; Y19-V87 WeakPolarHBondContact CB-O 3.3Å; L20-V87 HydrophobicContact CB-CB 4.08Å; L20-V87 HydrophobicContact CB-CG2 4.4Å; L20-V87 PolarHBondContact N-O 3.04Å; L20-V87 PolarHBondContact O-N 3.05Å; I22-V87 HydrophobicContact CD1-CG2 4.17Å; L34-V87 HydrophobicContact CD1-CG1 4.37Å; M44-V87 HydrophobicContact CB-CG2 4Å; M44-V87 HydrophobicContact CG-CG1 4.2Å; M44-V87 HydrophobicContact CG-CG2 4.07Å; M44-V87 HydrophobicContact SD-CG1 4.41Å; Y76-V87 HydrophobicContact CD1-CG1 4.03Å; V77-V87 WeakPolarHBondContact O-CA 3.44Å; V78-V87 HydrophobicContact CG1-CG2 4.18Å; V78-V87 HydrophobicContact CG2-CB 4.47Å; V78-V87 HydrophobicContact CG2-CG1 4.14Å; V78-V87 HydrophobicContact CG2-CG2 4.14Å; V85-V87 HydrophobicContact CG1-CG2 4.11Å
88V98.1Very high87.3Confident9 Ų974.8 Ų74.86%0.05540%0.399CS..EExtended strand (participates in β ladder)trans-126.4124173.6-174.90000108.4L10 I13 Q16 Y76 V77 R90L10-V88 HydrophobicContact CD2-CG2 3.98Å; I13-V88 HydrophobicContact CD1-CB 4.49Å; I13-V88 HydrophobicContact CD1-CG1 4.15Å; I13-V88 HydrophobicContact CD1-CG2 3.79Å; I13-V88 HydrophobicContact CG2-CG1 4.4Å; Q16-V88 HydrophobicContact CB-CG1 4.08Å; Q16-V88 HydrophobicContact CG-CG1 3.6Å; Y76-V88 WeakPolarHBondContact CA-O 3.47Å; V77-V88 PolarHBondContact N-O 3.17Å; V77-V88 PolarHBondContact O-N 3.21Å; V88-R90 HydrophobicContact CG1-CG 3.84Å
89K98.2Very high85.8Confident25 Ų2582.4 Ų82.411%0.10944%0.44CS..EExtended strand (participates in β ladder)trans-86.9123.2168-168.6-179.9-177.4-174.30108V17 G18 E33 L34 F74 Y76V17-K89 HydrophobicContact CG2-CB 3.99Å; V17-K89 HydrophobicContact CG2-CD 3.85Å; V17-K89 HydrophobicContact CG2-CG 3.67Å; V17-K89 WeakPolarHBondContact CG2-O 3.43Å; V17-K89 PolarHBondContact N-O 3.14Å; G18-K89 PolarHBondContact N-O 3.11Å; G18-K89 PolarHBondContact O-N 3.45Å; E33-K89 HydrophobicContact CB-CD 4.39Å; E33-K89 WeakPolarHBondContact OE2-CD 3.48Å; E33-K89 VanDerWaalsContact OE2-CE 3.25Å; E33-K89 WeakPolarHBondContact OE2-CE 3.47Å; E33-K89 IonicContact OE2-NZ 2.65Å; E33-K89 PolarHBondContact OE2-NZ 2.96Å; L34-K89 HydrophobicContact CD1-CB 3.98Å; L34-K89 HydrophobicContact CD2-CD 4.49Å; L34-K89 HydrophobicContact CG-CB 4.33Å; F74-K89 HydrophobicContact CB-CG 4.22Å; F74-K89 HydrophobicContact CD2-CD 4.2Å; F74-K89 HydrophobicContact CD2-CG 3.96Å; F74-K89 HydrophobicContact CG-CD 4.43Å; F74-K89 HydrophobicContact CG-CG 4.26Å; Y76-K89 HydrophobicContact CD1-CB 3.93Å; Y76-K89 HydrophobicContact CD1-CG 4.11Å; Y76-K89 HydrophobicContact CE1-CB 3.73Å; Y76-K89 HydrophobicContact CE1-CD 3.88Å; Y76-K89 HydrophobicContact CE1-CG 3.68Å
90R97Very high84Confident69 Ų6989.8 Ų89.826%0.2648%0.484SS..EExtended strand (participates in β ladder)trans-121.5146.1176-59.1177.165-140-7.3109.9I13 P14 D15 F74 V75 V88 N92I13-R90 HydrophobicContact CG2-CG 4.35Å; P14-R90 PolarHBondContact O-NE 3.35Å; P14-R90 PolarHBondContact O-NH2 2.76Å; P14-R90 VanDerWaalsContact O-NH2 3.09Å; D15-R90 CarbonylContact O-C 3.55Å; D15-R90 WeakPolarHBondContact O-CA 3.43Å; D15-R90 IonicContact OD2-NH2 3.25Å; D15-R90 PolarHBondContact OD2-NH2 3.22Å; F74-R90 CarbonylContact C-O 3.58Å; F74-R90 WeakPolarHBondContact CA-O 3.43Å; F74-R90 WeakPolarHBondContact CB-O 3.34Å; V75-R90 HydrophobicContact CG1-CB 3.91Å; V75-R90 PolarHBondContact N-O 3.33Å; V75-R90 PolarHBondContact O-N 2.81Å; V88-R90 HydrophobicContact CG1-CG 3.84Å; R90-N92 PolarHBondContact O-N 3.18Å
91Q95.6Very high83.5Confident95 Ų9590.7 Ų90.744%0.44449%0.49SS..EExtended strand (participates in β ladder)trans-59.4137.5168.2-67.2-177.1-35.200109.7D15 V17 N93D15-Q91 HydrophobicContact CB-CB 4.32Å; D15-Q91 PolarHBondContact O-N 3.25Å; V17-Q91 HydrophobicContact CG1-CG 3.69Å; Q91-N93 PolarHBondContact O-N 3.12Å
92N89.6Confident83Confident54 Ų5491.5 Ų91.529%0.28949%0.488SS..  trans-86.361.5175-17132.4000109L71 E72 D73 R90 Q94L71-N92 PolarHBondContact O-ND2 2.89Å; L71-N92 VanDerWaalsContact O-ND2 3.09Å; E72-N92 PolarHBondContact O-ND2 3.37Å; D73-N92 VanDerWaalsContact C-CB 3.44Å; D73-N92 WeakPolarHBondContact O-CB 3.45Å; D73-N92 PolarHBondContact O-N 3.4Å; R90-N92 PolarHBondContact O-N 3.18Å; N92-Q94 PolarHBondContact O-N 3.16Å
93N81.1Confident82.6Confident73 Ų7392.9 Ų92.939%0.3948%0.478SS..  trans-66.4118.1168.7-64-26000105.8D15 Q91 H95D15-N93 PolarHBondContact OD1-ND2 3.47Å; Q91-N93 PolarHBondContact O-N 3.12Å; N93-H95 PolarHBondContact O-CD2 3.17Å; N93-H95 VanDerWaalsContact O-CD2 3.22Å; N93-H95 PolarHBondContact O-N 3.09Å
94Q66.1Low82.2Confident186 Ų18688.5 Ų88.587%0.86946%0.459SS*.  trans-62.793.8170.8-69.3-170.74.700107N92 E96N92-Q94 PolarHBondContact O-N 3.16Å; Q94-E96 PolarHBondContact O-N 3.45Å; Q94-E96 VanDerWaalsContact O-N 3.11Å
95H61.5Low81.4Confident128 Ų12890.6 Ų90.659%0.59347%0.473SS*.  trans-71.7108.3176.3-83.4-98.2000106.6D15 N93D15-H95 IonicContact OD2-CE1 3.8Å; D15-H95 IonicContact OD2-NE2 3.02Å; D15-H95 PolarHBondContact OD2-NE2 3.37Å; N93-H95 PolarHBondContact O-CD2 3.17Å; N93-H95 VanDerWaalsContact O-CD2 3.22Å; N93-H95 PolarHBondContact O-N 3.09Å
96E59.3Low80.4Confident170 Ų17096 Ų9679%0.79450%0.501SS*.  trans-53.9144.8162.2-71.3-171.6162.100108.5Q94 V98Q94-E96 PolarHBondContact O-N 3.45Å; Q94-E96 VanDerWaalsContact O-N 3.11Å; E96-V98 PolarHBondContact O-N 3.22Å; E96-V98 VanDerWaalsContact O-N 3.07Å
97P67.9Low79.2Confident116 Ų116100.7 Ų100.775%0.75353%0.527SS*.  trans-53.2122.5176.5-20.630.1000109.6N99P97-N99 PolarHBondContact O-N 3.27Å
98V71.6Confident77.8Confident121 Ų121108.5 Ų108.573%0.73357%0.568SS**  trans-66.3108.7169.7-178.60000106.5E96 V100E96-V98 PolarHBondContact O-N 3.22Å; E96-V98 VanDerWaalsContact O-N 3.07Å; V98-V100 HydrophobicContact CG1-CG2 4.48Å; V98-V100 PolarHBondContact O-N 3.21Å
99N67.3Low76.1Confident161 Ų161116.8 Ų116.886%0.86161%0.611SS**  trans-65.6116.4169.2-80.1-44.7000107.7P97P97-N99 PolarHBondContact O-N 3.27Å
100V57.8Low74.1Confident203 Ų203125.1 Ų125.1100%1.2366%0.656SS**  trans-98.50175-172.70000109.2V98V98-V100 HydrophobicContact CG1-CG2 4.48Å; V98-V100 PolarHBondContact O-N 3.21Å

Retrieved 100 of 100 residues in 35.5 ms (Link to these results)