A0A087Y2V4_POEFO Loading...

Epsilon-sarcoglycan

Component of the sarcoglycan complex, a subcomplex of the dystrophin-glycoprotein complex which forms a link between the F-actin cytoskeleton and the extracellular matrix.

AlphaFold DB , UniProt , Accession A0A087Y2V4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 438 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.9Low53.8Low220 Ų22098.3 Ų98.3100%1.08460%0.598SS**  0-370-63.9-154.1-155.900113.4A3 A4 A5M1-A3 PolarHBondContact O-N 2.64Å; M1-A4 PolarHBondContact O-N 3.43Å; M1-A5 PolarHBondContact O-N 3.39Å
2L50.8Low53.6Low151 Ų15195.3 Ų95.379%0.79158%0.58SS**Hα-helixtrans-60.7-42.4178.3-117.487.8000114.4A4 A5 V6L2-A4 VanDerWaalsContact C-N 3.34Å; L2-A4 PolarHBondContact O-N 3.12Å; L2-A5 PolarHBondContact O-N 3Å; L2-V6 WeakPolarHBondContact O-CG2 3.44Å; L2-V6 PolarHBondContact O-N 3.13Å; L2-V6 VanDerWaalsContact O-N 3.12Å
3A51.2Low53Low78 Ų7893.6 Ų93.665%0.64557%0.57SS**Hα-helixtrans-64.1-36.7-177.900000113.2M1 V6 T7M1-A3 PolarHBondContact O-N 2.64Å; A3-V6 PolarHBondContact O-N 2.9Å; A3-T7 PolarHBondContact O-N 2.89Å; A3-T7 VanDerWaalsContact O-N 3.09Å; A3-T7 PolarHBondContact O-OG1 2.83Å
4A53.1Low52.5Low60 Ų6093.3 Ų93.350%0.49657%0.568SS.*Hα-helixtrans-70.4-36.5178.100000112.2M1 L2 T7 V8M1-A4 PolarHBondContact O-N 3.43Å; L2-A4 VanDerWaalsContact C-N 3.34Å; L2-A4 PolarHBondContact O-N 3.12Å; A4-T7 WeakPolarHBondContact CA-OG1 3.44Å; A4-T7 PolarHBondContact O-N 3.17Å; A4-T7 PolarHBondContact O-OG1 3.11Å; A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.42Å; A4-V8 PolarHBondContact O-N 3.17Å
5A53.5Low52Low52 Ų5294 Ų9443%0.4357%0.573SS.*Hα-helixtrans-66.7-38.9175.500000111.7M1 L2 V8 L9M1-A5 PolarHBondContact O-N 3.39Å; L2-A5 PolarHBondContact O-N 3Å; A5-V8 PolarHBondContact O-N 2.81Å; A5-L9 WeakPolarHBondContact O-CB 3.18Å; A5-L9 PolarHBondContact O-N 2.78Å
6V57.8Low51.7Low77 Ų7796.8 Ų96.847%0.46758%0.581SS.*Hα-helixtrans-67.3-41.3176.9173.90000111.3L2 A3 V8 L9 L10L2-V6 WeakPolarHBondContact O-CG2 3.44Å; L2-V6 PolarHBondContact O-N 3.13Å; L2-V6 VanDerWaalsContact O-N 3.12Å; A3-V6 PolarHBondContact O-N 2.9Å; V6-V8 PolarHBondContact O-N 3.39Å; V6-L9 PolarHBondContact O-N 3.23Å; V6-L10 HydrophobicContact CG1-CD1 3.51Å; V6-L10 WeakPolarHBondContact O-CB 3.39Å; V6-L10 WeakPolarHBondContact O-CD1 3.33Å; V6-L10 PolarHBondContact O-N 2.98Å
7T58Low51.1Low94 Ų9498.5 Ų98.558%0.57759%0.586SS**Hα-helixtrans-67.4-35176.147.50000113.2A3 A4 G11A3-T7 PolarHBondContact O-N 2.89Å; A3-T7 VanDerWaalsContact O-N 3.09Å; A3-T7 PolarHBondContact O-OG1 2.83Å; A4-T7 WeakPolarHBondContact CA-OG1 3.44Å; A4-T7 PolarHBondContact O-N 3.17Å; A4-T7 PolarHBondContact O-OG1 3.11Å; T7-G11 PolarHBondContact O-N 3.13Å
8V58.7Low50.5Low95 Ų9598 Ų9858%0.57659%0.588SS**Hα-helixtrans-70.1-42.1175.3171.20000110.4A4 A5 V6 G11 T12A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.42Å; A4-V8 PolarHBondContact O-N 3.17Å; A5-V8 PolarHBondContact O-N 2.81Å; V6-V8 PolarHBondContact O-N 3.39Å; V8-G11 PolarHBondContact O-N 3.46Å; V8-T12 WeakPolarHBondContact O-CG2 3.47Å; V8-T12 PolarHBondContact O-N 3.1Å; V8-T12 PolarHBondContact O-OG1 3.16Å
9L54.3Low50.1Low110 Ų110102.3 Ų102.358%0.57659%0.593SS**Hα-helixtrans-65.2-40.2174.8-87154.6000112.7A5 V6 T12 V13A5-L9 WeakPolarHBondContact O-CB 3.18Å; A5-L9 PolarHBondContact O-N 2.78Å; V6-L9 PolarHBondContact O-N 3.23Å; L9-T12 WeakPolarHBondContact CA-OG1 3.42Å; L9-T12 PolarHBondContact O-OG1 2.79Å; L9-T12 VanDerWaalsContact O-OG1 3.04Å; L9-V13 VanDerWaalsContact O-CB 3.25Å; L9-V13 WeakPolarHBondContact O-CB 3.34Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 3.1Å
10L52.6Low49.7Very low107 Ų107102.3 Ų102.356%0.5660%0.599SS**Hα-helixtrans-67.9-39.8173.4-94.7122.4000111.8V6 V13 V14V6-L10 HydrophobicContact CG1-CD1 3.51Å; V6-L10 WeakPolarHBondContact O-CB 3.39Å; V6-L10 WeakPolarHBondContact O-CD1 3.33Å; V6-L10 PolarHBondContact O-N 2.98Å; L10-V13 PolarHBondContact O-N 3.09Å; L10-V14 VanDerWaalsContact O-CB 3.3Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.27Å
11G50.4Low50Low37 Ų37101 Ų10138%0.38159%0.587SS.*Hα-helixtrans-64.9-38.6175.800000112.9T7 V8 T15T7-G11 PolarHBondContact O-N 3.13Å; V8-G11 PolarHBondContact O-N 3.46Å; G11-T15 WeakPolarHBondContact O-CB 3.35Å; G11-T15 WeakPolarHBondContact O-CG2 3.47Å; G11-T15 PolarHBondContact O-N 3.27Å; G11-T15 VanDerWaalsContact O-N 3.08Å; G11-T15 PolarHBondContact O-OG1 3.36Å
12T51.3Low50.5Low62 Ų6294.8 Ų94.838%0.3857%0.57SS.*Hα-helixtrans-72.8-40.2174.9520000111.9V8 L9 T15 I16V8-T12 WeakPolarHBondContact O-CG2 3.47Å; V8-T12 PolarHBondContact O-N 3.1Å; V8-T12 PolarHBondContact O-OG1 3.16Å; L9-T12 WeakPolarHBondContact CA-OG1 3.42Å; L9-T12 PolarHBondContact O-OG1 2.79Å; L9-T12 VanDerWaalsContact O-OG1 3.04Å; T12-T15 VanDerWaalsContact CA-OG1 3.29Å; T12-T15 WeakPolarHBondContact CA-OG1 3.37Å; T12-T15 PolarHBondContact O-N 3.31Å; T12-T15 PolarHBondContact O-OG1 2.64Å; T12-I16 WeakPolarHBondContact O-CB 3.15Å; T12-I16 VanDerWaalsContact O-CD1 3.28Å; T12-I16 WeakPolarHBondContact O-CD1 3.39Å; T12-I16 WeakPolarHBondContact O-CG1 3.13Å; T12-I16 PolarHBondContact O-N 2.87Å
13V45.6Very low51.8Low74 Ų7491.3 Ų91.345%0.44855%0.553SS.*Hα-helixtrans-65.4-38.8175.3169.60000111.9L9 L10 I16 L17L9-V13 VanDerWaalsContact O-CB 3.25Å; L9-V13 WeakPolarHBondContact O-CB 3.34Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 3.1Å; L10-V13 PolarHBondContact O-N 3.09Å; V13-I16 PolarHBondContact O-N 3.21Å; V13-L17 HydrophobicContact CG1-CD1 3.76Å; V13-L17 WeakPolarHBondContact O-CB 3.1Å; V13-L17 PolarHBondContact O-N 2.67Å
14V45.3Very low53.5Low89 Ų8993.6 Ų93.654%0.53954%0.544SS..Hα-helixtrans-68.9-35.3175.7170.40000111.8L10L10-V14 VanDerWaalsContact O-CB 3.3Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.27Å
15T45.1Very low55.4Low104 Ų10494.7 Ų94.764%0.63854%0.542SS*.Hα-helixtrans-75.8-27.5175.2420000113.1G11 T12G11-T15 WeakPolarHBondContact O-CB 3.35Å; G11-T15 WeakPolarHBondContact O-CG2 3.47Å; G11-T15 PolarHBondContact O-N 3.27Å; G11-T15 VanDerWaalsContact O-N 3.08Å; G11-T15 PolarHBondContact O-OG1 3.36Å; T12-T15 VanDerWaalsContact CA-OG1 3.29Å; T12-T15 WeakPolarHBondContact CA-OG1 3.37Å; T12-T15 PolarHBondContact O-N 3.31Å; T12-T15 PolarHBondContact O-OG1 2.64Å
16I47.6Very low57.3Low138 Ų13893.3 Ų93.371%0.70853%0.528SS*.Hα-helixtrans-75.7-29.5173.3-65.4161.6000111.5T12 V13T12-I16 WeakPolarHBondContact O-CB 3.15Å; T12-I16 VanDerWaalsContact O-CD1 3.28Å; T12-I16 WeakPolarHBondContact O-CD1 3.39Å; T12-I16 WeakPolarHBondContact O-CG1 3.13Å; T12-I16 PolarHBondContact O-N 2.87Å; V13-I16 PolarHBondContact O-N 3.21Å
17L41.7Very low59Low127 Ų12796.2 Ų96.267%0.66553%0.532SS*.THydrogen-bonded Turntrans-88.14.6-177.3-84.2162.4000115.7V13V13-L17 HydrophobicContact CG1-CD1 3.76Å; V13-L17 WeakPolarHBondContact O-CB 3.1Å; V13-L17 PolarHBondContact O-N 2.67Å
18S40.2Very low60.7Low89 Ų8992.3 Ų92.362%0.62251%0.508SS*.  trans-139.240.5-171.9-62.20000115.9
19R43.2Very low62.2Low179 Ų17989.7 Ų89.768%0.67549%0.494SS*.  trans-114.947.2146.2-74-170.3-178.8-173.1-2.3110.5H21R19-H21 VanDerWaalsContact C-N 3.33Å; R19-H21 PolarHBondContact O-CD2 2.81Å; R19-H21 PolarHBondContact O-N 3.45Å; R19-H21 VanDerWaalsContact O-N 3.16Å
20S42.3Very low63.9Low102 Ų10284.9 Ų84.971%0.71347%0.47SS*.  trans-74.198.3156.362.90000106.1A22S20-A22 PolarHBondContact O-N 3.36Å; S20-A22 VanDerWaalsContact O-N 3.09Å
21H55.6Low65.4Low77 Ų7780.8 Ų80.836%0.35645%0.454SS..PPolyproline II helixtrans-56.1119.2171.4-66-93.1000107R19 D23 E46R19-H21 VanDerWaalsContact C-N 3.33Å; R19-H21 PolarHBondContact O-CD2 2.81Å; R19-H21 PolarHBondContact O-N 3.45Å; R19-H21 VanDerWaalsContact O-N 3.16Å; H21-D23 PolarHBondContact O-N 3.28Å; H21-E46 IonicContact CE1-OE1 3.4Å; H21-E46 PolarHBondContact CE1-OE1 3.1Å; H21-E46 IonicContact CE1-OE2 3.05Å; H21-E46 PolarHBondContact CE1-OE2 3.32Å; H21-E46 VanDerWaalsContact ND1-CD 3.34Å; H21-E46 IonicContact ND1-OE1 2.83Å; H21-E46 PolarHBondContact ND1-OE1 2.86Å; H21-E46 IonicContact ND1-OE2 2.78Å; H21-E46 PolarHBondContact ND1-OE2 3.06Å; H21-E46 IonicContact NE2-OE2 3.44Å
22A61.7Low67.3Low88 Ų8880.8 Ų80.873%0.72745%0.446SS*.PPolyproline II helixtrans-65.4126.918000000108.5S20 R24S20-A22 PolarHBondContact O-N 3.36Å; S20-A22 VanDerWaalsContact O-N 3.09Å; A22-R24 PolarHBondContact O-N 3.05Å
23D79.4Confident69.4Low79 Ų7978.8 Ų78.842%0.42243%0.433SS..PPolyproline II helixtrans-57.1126.6174.8-70.3-14.2000109.3H21 N121 V123H21-D23 PolarHBondContact O-N 3.28Å; D23-N121 VanDerWaalsContact OD1-CB 3.3Å; D23-N121 WeakPolarHBondContact OD1-CB 3.37Å; D23-N121 PolarHBondContact OD1-ND2 3.24Å; D23-V123 HydrophobicContact CB-CG2 3.92Å
24R86.9Confident71.7Confident126 Ų12676.1 Ų76.148%0.47542%0.416SS..EExtended strand (participates in β ladder)trans-86.1118.3179.9-170.1167.9179.8171-3.4108.9A22 N121 L122 V123A22-R24 PolarHBondContact O-N 3.05Å; R24-N121 PolarHBondContact N-O 2.85Å; R24-N121 VanDerWaalsContact N-O 3.11Å; R24-L122 HydrophobicContact CB-CD1 4.32Å; R24-L122 HydrophobicContact CG-CD1 4.42Å; R24-V123 PolarHBondContact O-N 3.41Å
25N91.9Very high74.1Confident82 Ų8274.3 Ų74.344%0.43941%0.405SS..EExtended strand (participates in β ladder)trans-93134.4179.3-65.9-62.8000111.1Y27 V123N25-Y27 HydrophobicContact CB-CE2 4.05Å; N25-V123 CarbonylContact C-O 3.54Å; N25-V123 WeakPolarHBondContact CA-O 3.3Å; N25-V123 VanDerWaalsContact OD1-CB 3.25Å; N25-V123 WeakPolarHBondContact OD1-CB 3.41Å; N25-V123 WeakPolarHBondContact OD1-CG1 3.41Å
26V93.8Very high76.4Confident24 Ų2470.5 Ų70.515%0.14538%0.379CS..EExtended strand (participates in β ladder)trans-131149.9172.5-64.40000110.4P28 F34 L122 V123 I124 N125V26-P28 WeakPolarHBondContact O-CD 3.45Å; V26-F34 HydrophobicContact CB-CE2 4.33Å; V26-F34 HydrophobicContact CG2-CE2 3.96Å; V26-F34 HydrophobicContact CG2-CZ 3.92Å; V26-L122 HydrophobicContact CG1-CD1 3.83Å; V26-L122 HydrophobicContact CG2-CD1 3.93Å; V26-L122 HydrophobicContact CG2-CG 4.3Å; V26-V123 PolarHBondContact N-O 3.28Å; V26-I124 HydrophobicContact CG2-CB 4.1Å; V26-I124 HydrophobicContact CG2-CG1 3.72Å; V26-I124 HydrophobicContact CG2-CG2 4.2Å; V26-N125 PolarHBondContact O-N 3.41Å
27Y93.6Very high78.7Confident137 Ų13766.9 Ų66.954%0.53736%0.364SS..  trans-12768-170.3-58.3-87.7000112.2N25 N125N25-Y27 HydrophobicContact CB-CE2 4.05Å; Y27-N125 VanDerWaalsContact CA-O 3.31Å; Y27-N125 WeakPolarHBondContact CA-O 3.31Å; Y27-N125 HydrophobicContact CD1-CB 3.58Å; Y27-N125 HydrophobicContact CE1-CB 3.77Å; Y27-N125 WeakPolarHBondContact CE1-ND2 3.43Å
28P92.7Very high81.2Confident13 Ų1361 Ų618%0.08433%0.333CS..PPolyproline II helixtrans-68.8157.1176.629.7-34.9000112.1V26 F34 P94 I124 V126 M127V26-P28 WeakPolarHBondContact O-CD 3.45Å; P28-F34 HydrophobicContact CB-CB 3.98Å; P28-F34 HydrophobicContact CB-CD2 3.67Å; P28-F34 HydrophobicContact CB-CE2 4.42Å; P28-F34 HydrophobicContact CB-CG 4.04Å; P28-F34 HydrophobicContact CG-CD2 4.12Å; P28-F34 HydrophobicContact CG-CE2 4.49Å; P28-F34 HydrophobicContact CG-CG 4.44Å; P28-P94 HydrophobicContact CB-CG 4.4Å; P28-I124 HydrophobicContact CG-CG2 3.4Å; P28-I124 VanDerWaalsContact CG-CG2 3.4Å; P28-V126 HydrophobicContact CG-CG2 4.31Å; P28-V126 CarbonylContact O-C 3.57Å; P28-V126 WeakPolarHBondContact O-CA 3.29Å; P28-M127 PolarHBondContact O-N 2.89Å
29S91.3Very high83.6Confident40 Ų4061.4 Ų61.428%0.2833%0.325SS..BIsolated β-bridgetrans-96.7142.4175.4-65.90000111.1V32 T129S29-V32 PolarHBondContact O-N 2.82Å; S29-T129 WeakPolarHBondContact CB-OG1 3.48Å
30A88.9Confident85.9Confident9 Ų953.9 Ų53.97%0.07430%0.297CS..THydrogen-bonded Turntrans-61.8137.4174.800000111.5V32 P94 V99 V126 M127A30-V32 VanDerWaalsContact C-N 3.28Å; A30-V32 PolarHBondContact O-N 3Å; A30-P94 WeakPolarHBondContact CA-O 3.44Å; A30-V99 HydrophobicContact CB-CG2 3.78Å; A30-V126 HydrophobicContact CB-CG1 4.05Å; A30-M127 PolarHBondContact N-O 2.83Å
31G85.7Confident88.1Confident21 Ų2154.4 Ų54.422%0.21629%0.287CS..THydrogen-bonded Turntrans79.30.817900000115.7P94 F132G31-P94 PolarHBondContact N-O 3.47Å; G31-F132 VanDerWaalsContact O-CE1 3.31Å; G31-F132 WeakPolarHBondContact O-CE1 3.47Å
32V90.4Very high89.6Confident37 Ų3754.8 Ų54.822%0.22429%0.289CS..SBendtrans-108.5142.1175.7-177.20000109.6S29 A30 F34 F132S29-V32 PolarHBondContact O-N 2.82Å; A30-V32 VanDerWaalsContact C-N 3.28Å; A30-V32 PolarHBondContact O-N 3Å; V32-F34 PolarHBondContact O-N 3.48Å; V32-F34 VanDerWaalsContact O-N 3.12Å; V32-F132 HydrophobicContact CG2-CD2 4.38Å; V32-F132 HydrophobicContact CG2-CE1 4.02Å; V32-F132 HydrophobicContact CG2-CE2 3.53Å; V32-F132 HydrophobicContact CG2-CZ 3.31Å
33L93.5Very high90.9Very high19 Ų1951 Ų5110%0.09926%0.256CS..  trans-59.8114.7171.3-177.576.1000110.5V35 L151 L156 A174 I177L33-V35 HydrophobicContact CD2-CG2 3.82Å; L33-V35 HydrophobicContact CG-CG2 3.9Å; L33-L151 HydrophobicContact CD2-CD2 4.12Å; L33-L156 HydrophobicContact CD2-CD2 3.92Å; L33-A174 HydrophobicContact CB-CB 4.1Å; L33-A174 VanDerWaalsContact CB-O 3.31Å; L33-A174 WeakPolarHBondContact CB-O 3.4Å; L33-A174 HydrophobicContact CD2-CB 4.16Å; L33-A174 PolarHBondContact N-O 3.01Å; L33-I177 HydrophobicContact CD1-CB 4.37Å; L33-I177 HydrophobicContact CD1-CG1 4.23Å; L33-I177 HydrophobicContact CD2-CD1 3.43Å; L33-I177 VanDerWaalsContact CD2-CD1 3.43Å; L33-I177 HydrophobicContact CD2-CG1 3.75Å
34F94.7Very high91.1Very high19 Ų1948.9 Ų48.98%0.08324%0.244CC..EExtended strand (participates in β ladder)trans-84.6135.5167.2169.7-110.2000109.7V26 P28 V32 H36 W76 L77 Y91 G92 I124V26-F34 HydrophobicContact CB-CE2 4.33Å; V26-F34 HydrophobicContact CG2-CE2 3.96Å; V26-F34 HydrophobicContact CG2-CZ 3.92Å; P28-F34 HydrophobicContact CB-CB 3.98Å; P28-F34 HydrophobicContact CB-CD2 3.67Å; P28-F34 HydrophobicContact CB-CE2 4.42Å; P28-F34 HydrophobicContact CB-CG 4.04Å; P28-F34 HydrophobicContact CG-CD2 4.12Å; P28-F34 HydrophobicContact CG-CE2 4.49Å; P28-F34 HydrophobicContact CG-CG 4.44Å; V32-F34 PolarHBondContact O-N 3.48Å; V32-F34 VanDerWaalsContact O-N 3.12Å; F34-H36 HydrophobicContact CE1-CB 3.92Å; F34-H36 HydrophobicContact CE2-CB 4.05Å; F34-H36 HydrophobicContact CZ-CB 3.45Å; F34-H36 VanDerWaalsContact CZ-CB 3.45Å; F34-W76 HydrophobicContact CB-CZ3 4.42Å; F34-W76 HydrophobicContact CD1-CH2 4.27Å; F34-W76 HydrophobicContact CD1-CZ3 4.07Å; F34-L77 HydrophobicContact CD1-CD1 3.9Å; F34-L77 HydrophobicContact CE1-CD1 3.99Å; F34-Y91 CarbonylContact O-C 3.57Å; F34-Y91 WeakPolarHBondContact O-CA 3.49Å; F34-Y91 WeakPolarHBondContact O-CB 3.36Å; F34-G92 WeakPolarHBondContact CA-O 3.31Å; F34-G92 WeakPolarHBondContact CB-O 3.28Å; F34-G92 PolarHBondContact N-O 2.84Å; F34-G92 PolarHBondContact O-N 3.31Å; F34-I124 HydrophobicContact CE1-CD1 4.02Å; F34-I124 HydrophobicContact CZ-CD1 4.3Å
35V95.5Very high90.8Very high51 Ų5146.1 Ų46.131%0.30925%0.254SS..EExtended strand (participates in β ladder)trans-136.9128.7174.6-172.50000108.3L33 V89 L90 L151L33-V35 HydrophobicContact CD2-CG2 3.82Å; L33-V35 HydrophobicContact CG-CG2 3.9Å; V35-V89 HydrophobicContact CG1-CG1 3.65Å; V35-L90 CarbonylContact C-O 3.6Å; V35-L90 WeakPolarHBondContact CA-O 3.43Å; V35-L151 HydrophobicContact CG1-CB 4.41Å; V35-L151 HydrophobicContact CG1-CD2 4.25Å; V35-L151 HydrophobicContact CG2-CD2 3.68Å
36H94.9Very high90.5Very high23 Ų2344 Ų4411%0.10624%0.241CC..EExtended strand (participates in β ladder)trans-137.7120.3177.9-177.169.7000110.4F34 L90F34-H36 HydrophobicContact CE1-CB 3.92Å; F34-H36 HydrophobicContact CE2-CB 4.05Å; F34-H36 HydrophobicContact CZ-CB 3.45Å; F34-H36 VanDerWaalsContact CZ-CB 3.45Å; H36-L90 HydrophobicContact CB-CB 4.31Å; H36-L90 PolarHBondContact N-O 2.81Å; H36-L90 PolarHBondContact O-N 3.04Å
37V94.3Very high90.1Very high63 Ų6343.8 Ų43.838%0.38224%0.239SC..EExtended strand (participates in β ladder)trans-88129.7-179.1-175.60000109.8E39 D87V37-E39 HydrophobicContact CG1-CG 4.27Å; V37-E39 PolarHBondContact O-N 3.07Å; V37-D87 HydrophobicContact CG1-CB 3.89Å
38L94.2Very high89.3Confident2 Ų240.4 Ų40.41%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-92.287171.1-55.2-177.3000108.1R40 F43 F63 T65 Y79 G88 L90 I107L38-R40 PolarHBondContact O-N 3.39Å; L38-F43 HydrophobicContact CB-CE2 4.42Å; L38-F63 HydrophobicContact CB-CD1 4.37Å; L38-F63 HydrophobicContact CB-CD2 4.35Å; L38-F63 HydrophobicContact CB-CE1 4.31Å; L38-F63 HydrophobicContact CB-CE2 4.28Å; L38-F63 HydrophobicContact CB-CG 4.39Å; L38-F63 HydrophobicContact CB-CZ 4.25Å; L38-F63 HydrophobicContact CD1-CB 3.94Å; L38-F63 HydrophobicContact CD1-CD1 4.25Å; L38-F63 HydrophobicContact CD1-CD2 4.41Å; L38-F63 HydrophobicContact CD1-CG 3.95Å; L38-T65 HydrophobicContact CD1-CG2 3.74Å; L38-Y79 HydrophobicContact CD1-CD2 4.45Å; L38-Y79 HydrophobicContact CD1-CE2 4.1Å; L38-G88 WeakPolarHBondContact CB-O 3.36Å; L38-G88 PolarHBondContact N-O 3.15Å; L38-G88 PolarHBondContact O-N 3.06Å; L38-L90 HydrophobicContact CD1-CD1 4.38Å; L38-L90 HydrophobicContact CD1-CG 4.31Å; L38-L90 HydrophobicContact CD2-CD1 4.19Å; L38-I107 HydrophobicContact CD1-CG2 4.05Å; L38-I107 HydrophobicContact CD2-CD1 3.66Å; L38-I107 HydrophobicContact CD2-CG1 4.42Å; L38-I107 HydrophobicContact CD2-CG2 4.38Å
39E91.9Very high88.1Confident98 Ų9845.7 Ų45.746%0.45827%0.268SS..  trans-64.8117.9-178.6-67.6171.6-163.100110.9V37 E41 H42 F43V37-E39 HydrophobicContact CG1-CG 4.27Å; V37-E39 PolarHBondContact O-N 3.07Å; E39-E41 VanDerWaalsContact C-N 3.26Å; E39-E41 PolarHBondContact O-N 3.49Å; E39-H42 HydrophobicContact CB-CB 4.22Å; E39-H42 WeakPolarHBondContact O-CB 3.44Å; E39-H42 PolarHBondContact O-N 3.14Å; E39-H42 VanDerWaalsContact O-N 3.13Å; E39-F43 WeakPolarHBondContact O-CD2 3.26Å
40R90.6Very high86.8Confident22 Ų2249.8 Ų49.88%0.08328%0.278CS..Hα-helixtrans-58.9-39.1-179.7-173.2-172.965.5139.8-5.7112.6L38 H42 F43 K44 N58 D59 I61 D87L38-R40 PolarHBondContact O-N 3.39Å; R40-H42 PolarHBondContact O-N 3.37Å; R40-F43 PolarHBondContact O-N 3.21Å; R40-K44 WeakPolarHBondContact O-CG 3.49Å; R40-K44 PolarHBondContact O-N 2.84Å; R40-N58 PolarHBondContact NH1-OD1 3.14Å; R40-D59 PolarHBondContact NH1-O 3.23Å; R40-I61 HydrophobicContact CG-CB 4Å; R40-I61 HydrophobicContact CG-CD1 3.52Å; R40-I61 HydrophobicContact CG-CG1 4.28Å; R40-D87 VanDerWaalsContact CB-OD1 3.31Å; R40-D87 WeakPolarHBondContact CB-OD1 3.12Å; R40-D87 PolarHBondContact N-OD1 2.82Å
41E88.1Confident85.4Confident112 Ų11255 Ų5552%0.52331%0.311SS..Hα-helixtrans-62-31.4-179.5-58.1-52.5140.700112.4E39 K44E39-E41 VanDerWaalsContact C-N 3.26Å; E39-E41 PolarHBondContact O-N 3.49Å; E41-K44 IonicContact OE1-NZ 3.74Å; E41-K44 PolarHBondContact OE1-NZ 3.23Å; E41-K44 VanDerWaalsContact OE2-CD 3.29Å; E41-K44 WeakPolarHBondContact OE2-CD 3.45Å; E41-K44 IonicContact OE2-NZ 2.79Å; E41-K44 PolarHBondContact OE2-NZ 3.3Å
42H88.8Confident84Confident85 Ų8560.7 Ų60.739%0.39433%0.33SS..Hα-helixtrans-63.9-50.6175.5-17667.4000111.5E39 R40 K44 G45 H120E39-H42 HydrophobicContact CB-CB 4.22Å; E39-H42 WeakPolarHBondContact O-CB 3.44Å; E39-H42 PolarHBondContact O-N 3.14Å; E39-H42 VanDerWaalsContact O-N 3.13Å; R40-H42 PolarHBondContact O-N 3.37Å; H42-K44 VanDerWaalsContact C-N 3.32Å; H42-K44 PolarHBondContact O-N 3.16Å; H42-G45 PolarHBondContact O-N 3.11Å; H42-H120 AromaticContact CD2-CE1 3.95Å; H42-H120 AromaticContact NE2-CE1 3.42Å; H42-H120 PolarHBondContact NE2-CE1 3.21Å; H42-H120 AromaticContact NE2-NE2 3.95Å
43F87.1Confident82.3Confident9 Ų965.2 Ų65.24%0.03936%0.363CS..Hα-helixtrans-72.7-24.1-177.8-69.3-97.9000113.1L38 E39 R40 G45 E46 F47 F63 I107 A109 H120L38-F43 HydrophobicContact CB-CE2 4.42Å; E39-F43 WeakPolarHBondContact O-CD2 3.26Å; R40-F43 PolarHBondContact O-N 3.21Å; F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.21Å; F43-E46 WeakPolarHBondContact O-CB 3.35Å; F43-E46 PolarHBondContact O-N 3.3Å; F43-E46 VanDerWaalsContact O-N 3.1Å; F43-F47 WeakPolarHBondContact O-CD2 3.36Å; F43-F47 WeakPolarHBondContact O-CE2 3.49Å; F43-F63 HydrophobicContact CB-CE1 4.26Å; F43-F63 HydrophobicContact CD1-CE1 4.25Å; F43-F63 HydrophobicContact CD2-CD1 4.47Å; F43-F63 AromaticContact CD2-CE1 3.51Å; F43-F63 HydrophobicContact CD2-CE1 3.51Å; F43-F63 HydrophobicContact CD2-CZ 4.17Å; F43-F63 HydrophobicContact CE1-CE1 4.42Å; F43-F63 HydrophobicContact CE2-CD1 4.42Å; F43-F63 AromaticContact CE2-CE1 3.8Å; F43-F63 HydrophobicContact CE2-CE1 3.8Å; F43-F63 AromaticContact CG-CE1 3.77Å; F43-F63 HydrophobicContact CG-CE1 3.77Å; F43-F63 HydrophobicContact CZ-CD1 4.48Å; F43-F63 HydrophobicContact CZ-CE1 4.25Å; F43-I107 HydrophobicContact CE1-CG2 3.81Å; F43-I107 HydrophobicContact CZ-CB 4.42Å; F43-I107 HydrophobicContact CZ-CG2 3.63Å; F43-A109 HydrophobicContact CB-CB 3.82Å; F43-A109 HydrophobicContact CD1-CB 3.34Å; F43-A109 HydrophobicContact CE1-CB 4.01Å; F43-A109 HydrophobicContact CG-CB 3.75Å; F43-H120 AromaticContact CD1-CD2 3.52Å; F43-H120 AromaticContact CD1-NE2 3.63Å; F43-H120 HydrophobicContact CE1-CB 4.3Å; F43-H120 AromaticContact CE1-CD2 3.12Å; F43-H120 WeakPolarHBondContact CE1-CD2 3.5Å; F43-H120 AromaticContact CE1-CG 3.98Å; F43-H120 AromaticContact CE1-NE2 3.6Å; F43-H120 AromaticContact CZ-CD2 3.91Å
44K84.8Confident80.6Confident35 Ų3566.5 Ų66.515%0.15238%0.381CS..Hα-helixtrans-58.1-39.7173.5-81.5-179.3-173.7171.20113.1R40 E41 H42 E46 F47 S57 I61R40-K44 WeakPolarHBondContact O-CG 3.49Å; R40-K44 PolarHBondContact O-N 2.84Å; E41-K44 IonicContact OE1-NZ 3.74Å; E41-K44 PolarHBondContact OE1-NZ 3.23Å; E41-K44 VanDerWaalsContact OE2-CD 3.29Å; E41-K44 WeakPolarHBondContact OE2-CD 3.45Å; E41-K44 IonicContact OE2-NZ 2.79Å; E41-K44 PolarHBondContact OE2-NZ 3.3Å; H42-K44 VanDerWaalsContact C-N 3.32Å; H42-K44 PolarHBondContact O-N 3.16Å; K44-E46 PolarHBondContact O-N 2.9Å; K44-F47 PolarHBondContact O-N 3.32Å; K44-S57 PolarHBondContact NZ-O 2.79Å; K44-I61 HydrophobicContact CD-CD1 4.43Å; K44-I61 HydrophobicContact CG-CD1 3.42Å; K44-I61 VanDerWaalsContact CG-CD1 3.42Å
45G81.1Confident79Confident68 Ų6872.7 Ų72.770%0.70142%0.415SS*.THydrogen-bonded Turntrans-66.9-13.8178.900000113.8H42 F43H42-G45 PolarHBondContact O-N 3.11Å; F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.21Å
46E84.1Confident77.4Confident36 Ų3673.1 Ų73.117%0.16842%0.424CS..THydrogen-bonded Turntrans-91.2-26.1-177.1-58.2-136.814700113.9H21 F43 K44 A118 H120H21-E46 IonicContact CE1-OE1 3.4Å; H21-E46 PolarHBondContact CE1-OE1 3.1Å; H21-E46 IonicContact CE1-OE2 3.05Å; H21-E46 PolarHBondContact CE1-OE2 3.32Å; H21-E46 VanDerWaalsContact ND1-CD 3.34Å; H21-E46 IonicContact ND1-OE1 2.83Å; H21-E46 PolarHBondContact ND1-OE1 2.86Å; H21-E46 IonicContact ND1-OE2 2.78Å; H21-E46 PolarHBondContact ND1-OE2 3.06Å; H21-E46 IonicContact NE2-OE2 3.44Å; F43-E46 WeakPolarHBondContact O-CB 3.35Å; F43-E46 PolarHBondContact O-N 3.3Å; F43-E46 VanDerWaalsContact O-N 3.1Å; K44-E46 PolarHBondContact O-N 2.9Å; E46-A118 HydrophobicContact CB-CB 3.76Å; E46-H120 IonicContact OE1-CE1 2.84Å; E46-H120 PolarHBondContact OE1-CE1 2.86Å; E46-H120 IonicContact OE1-ND1 2.71Å; E46-H120 IonicContact OE1-NE2 2.71Å; E46-H120 PolarHBondContact OE1-NE2 3.31Å; E46-H120 IonicContact OE2-CD2 2.96Å; E46-H120 PolarHBondContact OE2-CD2 3.33Å; E46-H120 IonicContact OE2-CE1 3.88Å; E46-H120 PolarHBondContact OE2-CE1 3.33Å; E46-H120 IonicContact OE2-NE2 2.79Å; E46-H120 PolarHBondContact OE2-NE2 2.97Å
47F85.3Confident76.1Confident21 Ų2176.2 Ų76.29%0.09245%0.448CS..SBendtrans-64.4141.2177-61.7-60.4000110.3F43 K44 I61 A109 N111 E116 A118F43-F47 WeakPolarHBondContact O-CD2 3.36Å; F43-F47 WeakPolarHBondContact O-CE2 3.49Å; K44-F47 PolarHBondContact O-N 3.32Å; F47-I61 HydrophobicContact CE2-CD1 3.7Å; F47-I61 HydrophobicContact CE2-CG1 3.97Å; F47-I61 HydrophobicContact CZ-CG1 4.43Å; F47-I61 HydrophobicContact CZ-CG2 4.49Å; F47-A109 HydrophobicContact CZ-CB 4.04Å; F47-N111 HydrophobicContact CD1-CB 4.46Å; F47-N111 HydrophobicContact CD2-CB 4.46Å; F47-N111 HydrophobicContact CE1-CB 4.11Å; F47-N111 HydrophobicContact CE2-CB 4.14Å; F47-N111 HydrophobicContact CZ-CB 3.96Å; F47-E116 HydrophobicContact CD1-CB 3.74Å; F47-E116 HydrophobicContact CE1-CB 4.36Å; F47-E116 WeakPolarHBondContact CE1-O 3.42Å; F47-E116 HydrophobicContact CG-CB 4.49Å; F47-A118 HydrophobicContact CD1-CB 4.2Å; F47-A118 HydrophobicContact CE1-CB 3.87Å; F47-A118 HydrophobicContact CZ-CB 4.36Å
48P78.2Confident75.5Confident66 Ų6677.5 Ų77.543%0.42945%0.453SS..  trans-58.6144.31788.7-11.4000111.4Y50 E116P48-Y50 PolarHBondContact O-N 2.83Å; P48-E116 HydrophobicContact CG-CG 4.35Å; P48-E116 WeakPolarHBondContact CG-OE1 3.33Å
49P67.9Low75.1Confident123 Ų12378 Ų7880%0.79946%0.456SS*.  trans-65.6108.3-178.825.5-32.7000109.9
50Y63.3Low75.1Confident126 Ų12674.7 Ų74.749%0.49444%0.443SS..  trans-96.9124.7-178-151.2-84.9000111.5P48 K52 E116P48-Y50 PolarHBondContact O-N 2.83Å; Y50-K52 HydrophobicContact CD1-CB 4.18Å; Y50-K52 HydrophobicContact CD1-CD 4.03Å; Y50-K52 HydrophobicContact CD1-CG 3.81Å; Y50-K52 HydrophobicContact CE1-CD 3.57Å; Y50-K52 HydrophobicContact CE1-CG 3.7Å; Y50-K52 PolarHBondContact O-N 2.84Å; Y50-E116 WeakPolarHBondContact CD2-OE1 3.38Å
51P58.8Low75.3Confident118 Ų11873.7 Ų73.777%0.76644%0.439SS*.  trans-82.781.4-178.932.3-32.9000110.2
52K57.6Low75.6Confident141 Ų14170.1 Ų70.161%0.61343%0.425SS*.  trans-137.4140.2168.4-79.3-173177.2158.30113.7Y50 G54Y50-K52 HydrophobicContact CD1-CB 4.18Å; Y50-K52 HydrophobicContact CD1-CD 4.03Å; Y50-K52 HydrophobicContact CD1-CG 3.81Å; Y50-K52 HydrophobicContact CE1-CD 3.57Å; Y50-K52 HydrophobicContact CE1-CG 3.7Å; Y50-K52 PolarHBondContact O-N 2.84Å; K52-G54 PolarHBondContact O-N 3.25Å; K52-G54 VanDerWaalsContact O-N 3.11Å
53S53Low75.9Confident133 Ų13366.7 Ų66.793%0.9341%0.409SS*.SBendtrans-6297176460000111.5
54G59.4Low76.3Confident45 Ų4570.1 Ų70.146%0.46443%0.427SS..SBendtrans170.8148.8172.400000108.8K52 A56K52-G54 PolarHBondContact O-N 3.25Å; K52-G54 VanDerWaalsContact O-N 3.11Å; G54-A56 PolarHBondContact O-N 2.81Å
55D61.4Low76.8Confident149 Ų14968.4 Ų68.480%0.79742%0.42SS*.  trans-6395.4178.9-71.3-29.8000110.1S57 N58D55-S57 PolarHBondContact O-N 2.94Å; D55-N58 PolarHBondContact O-N 3.32Å
56A61.8Low77.5Confident60 Ų6066.2 Ų66.250%0.49639%0.392SS..G310 helixtrans-59.1-6.9171.500000112.8G54 N58G54-A56 PolarHBondContact O-N 2.81Å; A56-N58 VanDerWaalsContact C-N 3.27Å; A56-N58 PolarHBondContact O-N 3.12Å
57S66.8Low78Confident89 Ų8965.8 Ų65.862%0.62239%0.391SS*.G310 helixtrans-60.5-29175.7-175.40000113.5K44 D55K44-S57 PolarHBondContact NZ-O 2.79Å; D55-S57 PolarHBondContact O-N 2.94Å
58N80.9Confident78.3Confident90 Ų9070.4 Ų70.448%0.48141%0.411SS..G310 helixtrans-124.143.9-177-160.719.5000115.2R40 D55 A56 H85R40-N58 PolarHBondContact NH1-OD1 3.14Å; D55-N58 PolarHBondContact O-N 3.32Å; A56-N58 VanDerWaalsContact C-N 3.27Å; A56-N58 PolarHBondContact O-N 3.12Å; N58-H85 PolarHBondContact O-CE1 2.87Å; N58-H85 PolarHBondContact O-ND1 2.93Å; N58-H85 PolarHBondContact OD1-ND1 2.62Å
59D86.8Confident78.7Confident13 Ų1370.8 Ų70.87%0.0743%0.427CS..  trans-64.5134.8177.1-78.67.2000112.5R40 I61 N111 R113R40-D59 PolarHBondContact NH1-O 3.23Å; D59-I61 PolarHBondContact O-N 3.36Å; D59-N111 PolarHBondContact OD2-ND2 3.39Å; D59-R113 VanDerWaalsContact CG-NE 3.33Å; D59-R113 IonicContact OD1-CZ 2.97Å; D59-R113 IonicContact OD1-NE 2.81Å; D59-R113 PolarHBondContact OD1-NE 2.77Å; D59-R113 IonicContact OD1-NH1 3.97Å; D59-R113 IonicContact OD1-NH2 2.83Å; D59-R113 PolarHBondContact OD1-NH2 2.88Å; D59-R113 IonicContact OD2-CZ 3.43Å; D59-R113 IonicContact OD2-NE 3.3Å; D59-R113 PolarHBondContact OD2-NE 3.23Å; D59-R113 IonicContact OD2-NH2 2.75Å; D59-R113 PolarHBondContact OD2-NH2 2.65Å
60P92.3Very high79.8Confident28 Ų2867.9 Ų67.918%0.18240%0.402CS..  trans-74.3115.1172.828.6-31.5000109.7P84 R112 R113P60-P84 CarbonylContact C-O 3.49Å; P60-P84 WeakPolarHBondContact CA-O 3.48Å; P60-P84 HydrophobicContact CB-CB 3.73Å; P60-R112 HydrophobicContact CB-CB 4.25Å; P60-R112 HydrophobicContact CG-CB 4.03Å; P60-R112 PolarHBondContact O-N 3.07Å; P60-R113 HydrophobicContact CG-CB 4.29Å
61I93.1Very high81Confident0 Ų065.4 Ų65.40%040%0.401CS..EExtended strand (participates in β ladder)trans-120.3131.9-178.7-66.3159.7000108.9R40 K44 F47 D59 F63 Q81 P84 A109 Y110 N111R40-I61 HydrophobicContact CG-CB 4Å; R40-I61 HydrophobicContact CG-CD1 3.52Å; R40-I61 HydrophobicContact CG-CG1 4.28Å; K44-I61 HydrophobicContact CD-CD1 4.43Å; K44-I61 HydrophobicContact CG-CD1 3.42Å; K44-I61 VanDerWaalsContact CG-CD1 3.42Å; F47-I61 HydrophobicContact CE2-CD1 3.7Å; F47-I61 HydrophobicContact CE2-CG1 3.97Å; F47-I61 HydrophobicContact CZ-CG1 4.43Å; F47-I61 HydrophobicContact CZ-CG2 4.49Å; D59-I61 PolarHBondContact O-N 3.36Å; I61-F63 HydrophobicContact CG2-CE1 4.02Å; I61-F63 HydrophobicContact CG2-CE2 4.38Å; I61-F63 HydrophobicContact CG2-CZ 3.91Å; I61-Q81 PolarHBondContact O-NE2 2.7Å; I61-P84 PolarHBondContact N-O 3.29Å; I61-P84 CarbonylContact O-C 3.53Å; I61-A109 HydrophobicContact CG2-CB 4.09Å; I61-Y110 WeakPolarHBondContact CA-O 3.03Å; I61-N111 HydrophobicContact CG1-CB 4.49Å
62T95.5Very high82.5Confident37 Ų3762.2 Ų62.223%0.22738%0.377CS..EExtended strand (participates in β ladder)trans-118.7143174.249.10000110.3P84 Y110 R112T62-P84 HydrophobicContact CG2-CB 4.05Å; T62-P84 HydrophobicContact CG2-CG 4.22Å; T62-Y110 PolarHBondContact N-O 2.95Å; T62-Y110 PolarHBondContact O-N 3.32Å; T62-R112 HydrophobicContact CG2-CG 4.18Å
63F95.7Very high84.2Confident13 Ų1359.5 Ų59.56%0.05736%0.363CS..EExtended strand (participates in β ladder)trans-103.9140.7178.5-50.6-86.1000111.1L38 F43 I61 Y79 I107 T108 A109L38-F63 HydrophobicContact CB-CD1 4.37Å; L38-F63 HydrophobicContact CB-CD2 4.35Å; L38-F63 HydrophobicContact CB-CE1 4.31Å; L38-F63 HydrophobicContact CB-CE2 4.28Å; L38-F63 HydrophobicContact CB-CG 4.39Å; L38-F63 HydrophobicContact CB-CZ 4.25Å; L38-F63 HydrophobicContact CD1-CB 3.94Å; L38-F63 HydrophobicContact CD1-CD1 4.25Å; L38-F63 HydrophobicContact CD1-CD2 4.41Å; L38-F63 HydrophobicContact CD1-CG 3.95Å; F43-F63 HydrophobicContact CB-CE1 4.26Å; F43-F63 HydrophobicContact CD1-CE1 4.25Å; F43-F63 HydrophobicContact CD2-CD1 4.47Å; F43-F63 AromaticContact CD2-CE1 3.51Å; F43-F63 HydrophobicContact CD2-CE1 3.51Å; F43-F63 HydrophobicContact CD2-CZ 4.17Å; F43-F63 HydrophobicContact CE1-CE1 4.42Å; F43-F63 HydrophobicContact CE2-CD1 4.42Å; F43-F63 AromaticContact CE2-CE1 3.8Å; F43-F63 HydrophobicContact CE2-CE1 3.8Å; F43-F63 AromaticContact CG-CE1 3.77Å; F43-F63 HydrophobicContact CG-CE1 3.77Å; F43-F63 HydrophobicContact CZ-CD1 4.48Å; F43-F63 HydrophobicContact CZ-CE1 4.25Å; I61-F63 HydrophobicContact CG2-CE1 4.02Å; I61-F63 HydrophobicContact CG2-CE2 4.38Å; I61-F63 HydrophobicContact CG2-CZ 3.91Å; F63-Y79 HydrophobicContact CB-CE2 4Å; F63-Y79 WeakPolarHBondContact CB-OH 3.25Å; F63-Y79 PolarHBondContact N-OH 2.63Å; F63-Y79 PolarHBondContact O-OH 3.02Å; F63-I107 HydrophobicContact CD1-CG2 4.23Å; F63-T108 WeakPolarHBondContact CA-O 3.42Å; F63-A109 HydrophobicContact CD1-CB 3.73Å; F63-A109 HydrophobicContact CE1-CB 3.72Å
64N95.1Very high86.1Confident81 Ų8153.5 Ų53.543%0.43332%0.321SS..EExtended strand (participates in β ladder)trans-111.7135.1160.8-164.913.7000108.5N66 I107 T108N64-N66 PolarHBondContact ND2-ND2 3.18Å; N64-N66 VanDerWaalsContact ND2-ND2 3.18Å; N64-N66 PolarHBondContact OD1-OD1 2.47Å; N64-N66 VanDerWaalsContact OD1-OD1 3.13Å; N64-I107 CarbonylContact O-C 3.42Å; N64-I107 WeakPolarHBondContact O-CA 3.32Å; N64-T108 PolarHBondContact N-O 3.48Å; N64-T108 PolarHBondContact O-N 3.18Å
65T95.3Very high87.5Confident0 Ų053.8 Ų53.80%033%0.325CS..EExtended strand (participates in β ladder)trans-132.2115.8-174.754.60000108.5L38 R73 Y79 L90 E106 I107L38-T65 HydrophobicContact CD1-CG2 3.74Å; T65-R73 VanDerWaalsContact O-CD 3.28Å; T65-R73 WeakPolarHBondContact O-CD 3.31Å; T65-R73 WeakPolarHBondContact O-CG 3.46Å; T65-R73 PolarHBondContact O-NH1 3.27Å; T65-R73 WeakPolarHBondContact OG1-CD 3.43Å; T65-Y79 HydrophobicContact CG2-CD2 4.22Å; T65-L90 HydrophobicContact CG2-CD1 4.15Å; T65-L90 HydrophobicContact CG2-CD2 3.99Å; T65-L90 HydrophobicContact CG2-CG 4.26Å; T65-E106 WeakPolarHBondContact CA-O 3.11Å; T65-I107 HydrophobicContact CG2-CG1 4.1Å; T65-I107 HydrophobicContact CG2-CG2 4.21Å
66N94.8Very high88.9Confident21 Ų2147.7 Ų47.711%0.11229%0.29CS..EExtended strand (participates in β ladder)trans-134.6153.1-173.5-49.8-44.4000110.1N64 K68 F70 P71 I105 E106N64-N66 PolarHBondContact ND2-ND2 3.18Å; N64-N66 VanDerWaalsContact ND2-ND2 3.18Å; N64-N66 PolarHBondContact OD1-OD1 2.47Å; N64-N66 VanDerWaalsContact OD1-OD1 3.13Å; N66-K68 PolarHBondContact O-N 2.82Å; N66-F70 WeakPolarHBondContact CB-O 3.32Å; N66-P71 PolarHBondContact OD1-O 3.44Å; N66-P71 VanDerWaalsContact OD1-O 3.13Å; N66-I105 CarbonylContact O-C 3.6Å; N66-I105 VanDerWaalsContact O-CA 3.3Å; N66-I105 WeakPolarHBondContact O-CA 3.49Å; N66-I105 WeakPolarHBondContact O-CG2 3.31Å; N66-E106 PolarHBondContact N-O 3.23Å; N66-E106 PolarHBondContact O-N 2.83Å
67L94.3Very high90.4Very high28 Ų2845.1 Ų45.115%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-64.8134.5167.4179.767.4000108.7G69 F70 D72 P74 I105 I271L67-G69 PolarHBondContact O-N 2.84Å; L67-G69 VanDerWaalsContact O-N 3.13Å; L67-F70 HydrophobicContact CB-CB 4.22Å; L67-F70 HydrophobicContact CB-CD2 4.49Å; L67-F70 HydrophobicContact CD2-CB 4.49Å; L67-F70 HydrophobicContact CD2-CD2 3.69Å; L67-F70 HydrophobicContact CD2-CE2 4.25Å; L67-F70 HydrophobicContact CD2-CG 4.25Å; L67-F70 HydrophobicContact CG-CD2 3.96Å; L67-F70 PolarHBondContact O-N 3.32Å; L67-D72 VanDerWaalsContact CB-O 3.3Å; L67-D72 WeakPolarHBondContact CB-O 3.45Å; L67-D72 PolarHBondContact N-O 3.31Å; L67-P74 HydrophobicContact CD1-CG 4.23Å; L67-I105 HydrophobicContact CD1-CD1 4.3Å; L67-I271 HydrophobicContact CD2-CD1 3.65Å; L67-I271 HydrophobicContact CD2-CG1 4.44Å
68K91.9Very high91.7Very high118 Ų11844.6 Ų44.651%0.51325%0.253SS..THydrogen-bonded Turntrans-54.5122-178-175.7173.8-177.8173.90111N66 F70 V104N66-K68 PolarHBondContact O-N 2.82Å; K68-F70 WeakPolarHBondContact O-CD2 3.28Å; K68-V104 HydrophobicContact CB-CB 4.07Å; K68-V104 HydrophobicContact CB-CG1 4.19Å; K68-V104 WeakPolarHBondContact CB-O 3.4Å; K68-V104 HydrophobicContact CD-CB 4.21Å; K68-V104 HydrophobicContact CD-CG1 3.85Å; K68-V104 PolarHBondContact N-O 3.38Å
69G88Confident92.3Very high74 Ų7442.9 Ų42.976%0.76324%0.24SC*.THydrogen-bonded Turntrans87-2.9-178.200000115.2L67L67-G69 PolarHBondContact O-N 2.84Å; L67-G69 VanDerWaalsContact O-N 3.13Å
70F89.3Confident92.7Very high62 Ų6244 Ų4427%0.27225%0.246SC..SBendtrans-127151.8-179-64-88.5000111N66 L67 K68 D72 I271 L272 E274N66-F70 WeakPolarHBondContact CB-O 3.32Å; L67-F70 HydrophobicContact CB-CB 4.22Å; L67-F70 HydrophobicContact CB-CD2 4.49Å; L67-F70 HydrophobicContact CD2-CB 4.49Å; L67-F70 HydrophobicContact CD2-CD2 3.69Å; L67-F70 HydrophobicContact CD2-CE2 4.25Å; L67-F70 HydrophobicContact CD2-CG 4.25Å; L67-F70 HydrophobicContact CG-CD2 3.96Å; L67-F70 PolarHBondContact O-N 3.32Å; K68-F70 WeakPolarHBondContact O-CD2 3.28Å; F70-D72 VanDerWaalsContact C-N 3.3Å; F70-I271 HydrophobicContact CB-CG2 3.95Å; F70-I271 HydrophobicContact CD1-CG2 3.32Å; F70-I271 HydrophobicContact CD2-CG2 4.43Å; F70-I271 HydrophobicContact CE1-CG2 3.89Å; F70-I271 HydrophobicContact CG-CG2 3.64Å; F70-L272 WeakPolarHBondContact CD1-O 3.38Å; F70-L272 WeakPolarHBondContact CE1-O 3.39Å; F70-E274 HydrophobicContact CE1-CB 4.46Å
71P89.6Confident92.7Very high74 Ų7444.5 Ų44.548%0.48125%0.245SC..SBendtrans-75-22.6175.430.3-34.7000112.8N66 L272N66-P71 PolarHBondContact OD1-O 3.44Å; N66-P71 VanDerWaalsContact OD1-O 3.13Å; P71-L272 HydrophobicContact CG-CD1 4.24Å
72D90.2Very high92.4Very high50 Ų5050.5 Ų50.527%0.26727%0.268SS..SBendtrans-99.4161.6-174-58-49.2000112.1L67 F70 L272L67-D72 VanDerWaalsContact CB-O 3.3Å; L67-D72 WeakPolarHBondContact CB-O 3.45Å; L67-D72 PolarHBondContact N-O 3.31Å; F70-D72 VanDerWaalsContact C-N 3.3Å; D72-L272 PolarHBondContact OD2-N 2.87Å
73R92.9Very high92.2Very high84 Ų8451.8 Ų51.832%0.31728%0.276SS..PPolyproline II helixtrans-86.4161.1168-72.7169-68.9-73.3-3.7110.2T65 G75T65-R73 VanDerWaalsContact O-CD 3.28Å; T65-R73 WeakPolarHBondContact O-CD 3.31Å; T65-R73 WeakPolarHBondContact O-CG 3.46Å; T65-R73 PolarHBondContact O-NH1 3.27Å; T65-R73 WeakPolarHBondContact OG1-CD 3.43Å; R73-G75 PolarHBondContact O-N 2.92Å
74P92.3Very high92Very high7 Ų752.7 Ų52.75%0.04528%0.283CS..PPolyproline II helixtrans-54.8137.1164.6-21.533.7000110.6L67 W76 L77 I105L67-P74 HydrophobicContact CD1-CG 4.23Å; P74-W76 HydrophobicContact CB-CG 4.44Å; P74-W76 PolarHBondContact O-N 2.96Å; P74-L77 HydrophobicContact CB-CB 4.47Å; P74-L77 PolarHBondContact O-N 3.43Å; P74-I105 HydrophobicContact CG-CD1 3.87Å
75G89Confident91.8Very high52 Ų5253.1 Ų53.154%0.53628%0.282SS..THydrogen-bonded Turntrans-57.5-20.1-17500000115.6R73 T269R73-G75 PolarHBondContact O-N 2.92Å; G75-T269 PolarHBondContact N-O 2.79Å
76W90.5Very high91.6Very high20 Ų2054 Ų548%0.07629%0.291CS..THydrogen-bonded Turntrans-83-17.9175.668-94.6000113.9F34 P74 G92 S93 P94 H98 I124F34-W76 HydrophobicContact CB-CZ3 4.42Å; F34-W76 HydrophobicContact CD1-CH2 4.27Å; F34-W76 HydrophobicContact CD1-CZ3 4.07Å; P74-W76 HydrophobicContact CB-CG 4.44Å; P74-W76 PolarHBondContact O-N 2.96Å; W76-G92 VanDerWaalsContact O-CA 3.22Å; W76-G92 WeakPolarHBondContact O-CA 3.42Å; W76-S93 PolarHBondContact O-N 3.15Å; W76-P94 HydrophobicContact CD2-CB 4.14Å; W76-P94 HydrophobicContact CE3-CB 4.1Å; W76-P94 HydrophobicContact CH2-CB 4.23Å; W76-P94 HydrophobicContact CH2-CG 4.46Å; W76-P94 HydrophobicContact CZ2-CB 4.27Å; W76-P94 HydrophobicContact CZ3-CB 4.14Å; W76-P94 HydrophobicContact CZ3-CG 4.23Å; W76-H98 AromaticContact CD1-CD2 3.72Å; W76-H98 AromaticContact CD1-CE1 3.59Å; W76-H98 AromaticContact CD1-NE2 3.31Å; W76-H98 VanDerWaalsContact CD1-NE2 3.31Å; W76-H98 AromaticContact NE1-CD2 3.63Å; W76-H98 AromaticContact NE1-NE2 3.73Å; W76-I124 HydrophobicContact CH2-CD1 4.16Å; W76-I124 HydrophobicContact CH2-CG2 4.09Å; W76-I124 HydrophobicContact CZ2-CD1 4.46Å; W76-I124 HydrophobicContact CZ2-CG2 4.37Å
77L93.8Very high91.6Very high6 Ų656 Ų563%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-105.8126.8-173-170.970.1000111.4F34 P74 L90 I105 I124F34-L77 HydrophobicContact CD1-CD1 3.9Å; F34-L77 HydrophobicContact CE1-CD1 3.99Å; P74-L77 HydrophobicContact CB-CB 4.47Å; P74-L77 PolarHBondContact O-N 3.43Å; L77-L90 HydrophobicContact CD1-CB 4.41Å; L77-L90 HydrophobicContact CD2-CD2 4.19Å; L77-L90 HydrophobicContact CG-CD2 4.27Å; L77-I105 HydrophobicContact CD2-CD1 3.91Å; L77-I105 HydrophobicContact CD2-CG1 3.88Å; L77-I124 HydrophobicContact CD2-CD1 4.12Å
78R94Very high91.6Very high79 Ų7954.7 Ų54.730%0.29830%0.295SS..EExtended strand (participates in β ladder)trans-115.9158.3179.5-64-179.9-179.673.57.7110.6L90 Y91R78-L90 WeakPolarHBondContact O-CA 3.47Å; R78-Y91 WeakPolarHBondContact CA-O 3.47Å; R78-Y91 HydrophobicContact CB-CD1 4.33Å; R78-Y91 HydrophobicContact CB-CE1 3.82Å; R78-Y91 HydrophobicContact CB-CE2 4.05Å; R78-Y91 PolarHBondContact N-O 3.23Å; R78-Y91 PolarHBondContact O-N 3.35Å
79Y94.9Very high91.7Very high54 Ų5449.7 Ų49.721%0.21228%0.275CS..EExtended strand (participates in β ladder)trans-128.1136.2177.5168.4-106.6000109.1L38 F63 T65 Q81 V89 L90L38-Y79 HydrophobicContact CD1-CD2 4.45Å; L38-Y79 HydrophobicContact CD1-CE2 4.1Å; F63-Y79 HydrophobicContact CB-CE2 4Å; F63-Y79 WeakPolarHBondContact CB-OH 3.25Å; F63-Y79 PolarHBondContact N-OH 2.63Å; F63-Y79 PolarHBondContact O-OH 3.02Å; T65-Y79 HydrophobicContact CG2-CD2 4.22Å; Y79-Q81 HydrophobicContact CE1-CB 4.12Å; Y79-Q81 HydrophobicContact CE2-CB 4.25Å; Y79-Q81 WeakPolarHBondContact OH-CB 3.46Å; Y79-Q81 PolarHBondContact OH-OE1 2.85Å; Y79-V89 WeakPolarHBondContact CA-O 3.3Å; Y79-L90 HydrophobicContact CD2-CD2 4.26Å
80I93.4Very high92.1Very high37 Ų3746.2 Ų46.219%0.1924%0.238CC..EExtended strand (participates in β ladder)trans-135.7138.8171.5-167.5167.3000110.2V89 Y91 V147 L151I80-V89 HydrophobicContact CG2-CB 4.03Å; I80-V89 PolarHBondContact N-O 3.02Å; I80-V89 PolarHBondContact O-N 2.91Å; I80-Y91 HydrophobicContact CB-CE1 4.01Å; I80-Y91 HydrophobicContact CG2-CD1 4.11Å; I80-Y91 HydrophobicContact CG2-CE1 3.67Å; I80-V147 HydrophobicContact CD1-CB 3.86Å; I80-V147 HydrophobicContact CD1-CG1 4.18Å; I80-L151 HydrophobicContact CG2-CD1 4.34Å
81Q93.8Very high92.4Very high37 Ų3743.6 Ų43.617%0.17323%0.227CC..  trans-151.4118.2167.6-178.8-172.932.700107.3I61 Y79 T83 G86I61-Q81 PolarHBondContact O-NE2 2.7Å; Y79-Q81 HydrophobicContact CE1-CB 4.12Å; Y79-Q81 HydrophobicContact CE2-CB 4.25Å; Y79-Q81 WeakPolarHBondContact OH-CB 3.46Å; Y79-Q81 PolarHBondContact OH-OE1 2.85Å; Q81-T83 WeakPolarHBondContact CG-O 3.38Å; Q81-T83 PolarHBondContact NE2-O 3.13Å; Q81-G86 PolarHBondContact NE2-O 2.96Å
82R87.1Confident92.6Very high126 Ų12640 Ų4048%0.47520%0.204SC..SBendtrans-81.8-39.5-173.4-171.2171.6-165.7172.29.9113.3N146 E148 E149R82-N146 PolarHBondContact NH1-ND2 3.49Å; R82-E148 WeakPolarHBondContact CB-OE2 3.12Å; R82-E149 IonicContact NH1-OE1 3.52Å; R82-E149 PolarHBondContact NH1-OE1 2.86Å
83T90.4Very high92.6Very high65 Ų6538.6 Ų38.640%0.39920%0.198SC..SBendtrans-130.4148.9178.575.30000110.2Q81 H85 G86Q81-T83 WeakPolarHBondContact CG-O 3.38Å; Q81-T83 PolarHBondContact NE2-O 3.13Å; T83-H85 PolarHBondContact O-N 2.94Å; T83-H85 PolarHBondContact OG1-N 3.24Å; T83-G86 PolarHBondContact O-N 2.99Å; T83-G86 VanDerWaalsContact O-N 3.08Å; T83-G86 PolarHBondContact OG1-N 2.93Å; T83-G86 VanDerWaalsContact OG1-N 3.14Å
84P92.1Very high92.6Very high32 Ų3234.7 Ų34.721%0.20818%0.183CC..THydrogen-bonded Turntrans-62.1-10.3172.7-22.734.3000114.3P60 I61 T62P60-P84 CarbonylContact C-O 3.49Å; P60-P84 WeakPolarHBondContact CA-O 3.48Å; P60-P84 HydrophobicContact CB-CB 3.73Å; I61-P84 PolarHBondContact N-O 3.29Å; I61-P84 CarbonylContact O-C 3.53Å; T62-P84 HydrophobicContact CG2-CB 4.05Å; T62-P84 HydrophobicContact CG2-CG 4.22Å
85H91.1Very high92.3Very high89 Ų8937.4 Ų37.441%0.41220%0.199SC..THydrogen-bonded Turntrans-98.3-12.1178.3-62.3-74.4000112.6N58 T83N58-H85 PolarHBondContact O-CE1 2.87Å; N58-H85 PolarHBondContact O-ND1 2.93Å; N58-H85 PolarHBondContact OD1-ND1 2.62Å; T83-H85 PolarHBondContact O-N 2.94Å; T83-H85 PolarHBondContact OG1-N 3.24Å
86G91.1Very high92.1Very high18 Ų1838.7 Ų38.719%0.18621%0.205CC..SBendtrans-92.9166.8175.500000112.2Q81 T83Q81-G86 PolarHBondContact NE2-O 2.96Å; T83-G86 PolarHBondContact O-N 2.99Å; T83-G86 VanDerWaalsContact O-N 3.08Å; T83-G86 PolarHBondContact OG1-N 2.93Å; T83-G86 VanDerWaalsContact OG1-N 3.14Å
87D93.2Very high91.9Very high65 Ų6544.4 Ų44.435%0.34823%0.233SC..PPolyproline II helixtrans-71.5154.8174.9-63.6-34.8000111.1V37 R40V37-D87 HydrophobicContact CG1-CB 3.89Å; R40-D87 VanDerWaalsContact CB-OD1 3.31Å; R40-D87 WeakPolarHBondContact CB-OD1 3.12Å; R40-D87 PolarHBondContact N-OD1 2.82Å
88G94.2Very high91.5Very high0 Ų046.4 Ų46.40%024%0.242CC..EExtended strand (participates in β ladder)trans-88.5150.717000000110.5L38L38-G88 WeakPolarHBondContact CB-O 3.36Å; L38-G88 PolarHBondContact N-O 3.15Å; L38-G88 PolarHBondContact O-N 3.06Å
89V95.7Very high91.2Very high13 Ų1345 Ų458%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-128.3123.4174-171.50000109.9V35 Y79 I80 L151V35-V89 HydrophobicContact CG1-CG1 3.65Å; Y79-V89 WeakPolarHBondContact CA-O 3.3Å; I80-V89 HydrophobicContact CG2-CB 4.03Å; I80-V89 PolarHBondContact N-O 3.02Å; I80-V89 PolarHBondContact O-N 2.91Å; V89-L151 HydrophobicContact CB-CD1 4.49Å; V89-L151 HydrophobicContact CG1-CD1 3.92Å
90L95.8Very high90.7Very high0 Ų045.7 Ų45.70%027%0.265CS..EExtended strand (participates in β ladder)trans-92.6124.7167.2-77.1173.7000108.7V35 H36 L38 T65 L77 R78 Y79 I105 L122V35-L90 CarbonylContact C-O 3.6Å; V35-L90 WeakPolarHBondContact CA-O 3.43Å; H36-L90 HydrophobicContact CB-CB 4.31Å; H36-L90 PolarHBondContact N-O 2.81Å; H36-L90 PolarHBondContact O-N 3.04Å; L38-L90 HydrophobicContact CD1-CD1 4.38Å; L38-L90 HydrophobicContact CD1-CG 4.31Å; L38-L90 HydrophobicContact CD2-CD1 4.19Å; T65-L90 HydrophobicContact CG2-CD1 4.15Å; T65-L90 HydrophobicContact CG2-CD2 3.99Å; T65-L90 HydrophobicContact CG2-CG 4.26Å; L77-L90 HydrophobicContact CD1-CB 4.41Å; L77-L90 HydrophobicContact CD2-CD2 4.19Å; L77-L90 HydrophobicContact CG-CD2 4.27Å; R78-L90 WeakPolarHBondContact O-CA 3.47Å; Y79-L90 HydrophobicContact CD2-CD2 4.26Å; L90-I105 HydrophobicContact CD1-CG2 4.49Å; L90-L122 HydrophobicContact CD1-CD2 3.94Å
91Y95.6Very high90.4Very high7 Ų750 Ų503%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-148.1154.5-178.769.7-78.5000111.9F34 R78 I80 V147 L151 I177F34-Y91 CarbonylContact O-C 3.57Å; F34-Y91 WeakPolarHBondContact O-CA 3.49Å; F34-Y91 WeakPolarHBondContact O-CB 3.36Å; R78-Y91 WeakPolarHBondContact CA-O 3.47Å; R78-Y91 HydrophobicContact CB-CD1 4.33Å; R78-Y91 HydrophobicContact CB-CE1 3.82Å; R78-Y91 HydrophobicContact CB-CE2 4.05Å; R78-Y91 PolarHBondContact N-O 3.23Å; R78-Y91 PolarHBondContact O-N 3.35Å; I80-Y91 HydrophobicContact CB-CE1 4.01Å; I80-Y91 HydrophobicContact CG2-CD1 4.11Å; I80-Y91 HydrophobicContact CG2-CE1 3.67Å; Y91-V147 HydrophobicContact CE1-CG1 3.99Å; Y91-V147 HydrophobicContact CE2-CG1 3.93Å; Y91-L151 HydrophobicContact CD1-CD1 3.48Å; Y91-L151 VanDerWaalsContact CD1-CD1 3.48Å; Y91-L151 HydrophobicContact CD2-CD1 4.02Å; Y91-L151 HydrophobicContact CD2-CD2 4.18Å; Y91-L151 HydrophobicContact CE1-CD1 3.97Å; Y91-L151 HydrophobicContact CE2-CD1 4.44Å; Y91-L151 HydrophobicContact CG-CD1 3.52Å; Y91-L151 HydrophobicContact CG-CD2 4.04Å; Y91-L151 HydrophobicContact CG-CG 4.46Å; Y91-I177 WeakPolarHBondContact CE2-O 3.19Å
92G93.6Very high90.2Very high0 Ų052.3 Ų52.30%030%0.301CS..EExtended strand (participates in β ladder)trans158.5-179.9-177.300000111.4F34 W76F34-G92 WeakPolarHBondContact CA-O 3.31Å; F34-G92 WeakPolarHBondContact CB-O 3.28Å; F34-G92 PolarHBondContact N-O 2.84Å; F34-G92 PolarHBondContact O-N 3.31Å; W76-G92 VanDerWaalsContact O-CA 3.22Å; W76-G92 WeakPolarHBondContact O-CA 3.42Å
93S91.1Very high90.5Very high20 Ų2047.2 Ų47.214%0.1428%0.284CS..  trans-133.1106.7-170.7-50.30000109.9W76 I175W76-S93 PolarHBondContact O-N 3.15Å; S93-I175 WeakPolarHBondContact CB-O 3.48Å; S93-I175 PolarHBondContact OG-O 2.75Å
94P91.1Very high90.7Very high1 Ų145.8 Ų45.81%0.00628%0.275CS..  trans-70.2139.6-179.227.9-31.5000110.2P28 A30 G31 W76 H98 V126P28-P94 HydrophobicContact CB-CG 4.4Å; A30-P94 WeakPolarHBondContact CA-O 3.44Å; G31-P94 PolarHBondContact N-O 3.47Å; W76-P94 HydrophobicContact CD2-CB 4.14Å; W76-P94 HydrophobicContact CE3-CB 4.1Å; W76-P94 HydrophobicContact CH2-CB 4.23Å; W76-P94 HydrophobicContact CH2-CG 4.46Å; W76-P94 HydrophobicContact CZ2-CB 4.27Å; W76-P94 HydrophobicContact CZ3-CB 4.14Å; W76-P94 HydrophobicContact CZ3-CG 4.23Å; P94-H98 HydrophobicContact CB-CB 4.39Å; P94-V126 HydrophobicContact CB-CB 4.44Å; P94-V126 HydrophobicContact CB-CG1 3.83Å; P94-V126 HydrophobicContact CB-CG2 3.68Å; P94-V126 HydrophobicContact CG-CG1 3.93Å; P94-V126 HydrophobicContact CG-CG2 4.1Å
95T86.5Confident90.9Very high64 Ų6444.3 Ų44.339%0.39327%0.265SS..  trans-88.5169.3174.765.40000111.5E97 H98T95-E97 PolarHBondContact O-N 2.97Å; T95-E97 VanDerWaalsContact O-N 3.09Å; T95-H98 PolarHBondContact N-ND1 2.89Å; T95-H98 WeakPolarHBondContact O-CB 3.35Å; T95-H98 PolarHBondContact O-N 3.1Å; T95-H98 VanDerWaalsContact O-N 3.07Å; T95-H98 PolarHBondContact O-ND1 3.35Å; T95-H98 PolarHBondContact OG1-CE1 2.96Å; T95-H98 PolarHBondContact OG1-ND1 3.12Å
96A85.6Confident91.1Very high80 Ų8042.1 Ų42.166%0.66126%0.255SS*.G310 helixtrans-56-25.9177.600000113.7H98 V99A96-H98 PolarHBondContact O-N 3.47Å; A96-V99 WeakPolarHBondContact O-CB 3.15Å; A96-V99 WeakPolarHBondContact O-CG2 3.22Å; A96-V99 PolarHBondContact O-N 3.14Å
97E86.1Confident91.3Very high140 Ų14041.5 Ų41.565%0.65425%0.247SC*.G310 helixtrans-67.4-20.4179.1-60.1179.817700114.2T95 K101T95-E97 PolarHBondContact O-N 2.97Å; T95-E97 VanDerWaalsContact O-N 3.09Å; E97-K101 PolarHBondContact O-NZ 3.04Å
98H86Confident91.3Very high47 Ų4739.6 Ų39.622%0.21824%0.239CC..G310 helixtrans-91.8-8.7-178.6-57.594.9000112.5W76 P94 T95 A96 G100 K101 V126W76-H98 AromaticContact CD1-CD2 3.72Å; W76-H98 AromaticContact CD1-CE1 3.59Å; W76-H98 AromaticContact CD1-NE2 3.31Å; W76-H98 VanDerWaalsContact CD1-NE2 3.31Å; W76-H98 AromaticContact NE1-CD2 3.63Å; W76-H98 AromaticContact NE1-NE2 3.73Å; P94-H98 HydrophobicContact CB-CB 4.39Å; T95-H98 PolarHBondContact N-ND1 2.89Å; T95-H98 WeakPolarHBondContact O-CB 3.35Å; T95-H98 PolarHBondContact O-N 3.1Å; T95-H98 VanDerWaalsContact O-N 3.07Å; T95-H98 PolarHBondContact O-ND1 3.35Å; T95-H98 PolarHBondContact OG1-CE1 2.96Å; T95-H98 PolarHBondContact OG1-ND1 3.12Å; A96-H98 PolarHBondContact O-N 3.47Å; H98-G100 PolarHBondContact O-N 3.44Å; H98-K101 PolarHBondContact O-N 2.69Å; H98-V126 HydrophobicContact CB-CB 4.46Å; H98-V126 HydrophobicContact CB-CG2 4.04Å
99V87.8Confident91.4Very high50 Ų5039.6 Ų39.630%0.30324%0.239SC..THydrogen-bonded Turntrans-60.3133.7-178.9172.20000110.8A30 A96 K101 V126 A128A30-V99 HydrophobicContact CB-CG2 3.78Å; A96-V99 WeakPolarHBondContact O-CB 3.15Å; A96-V99 WeakPolarHBondContact O-CG2 3.22Å; A96-V99 PolarHBondContact O-N 3.14Å; V99-K101 PolarHBondContact O-N 3.21Å; V99-K101 VanDerWaalsContact O-N 3.16Å; V99-V126 HydrophobicContact CG2-CG1 4.06Å; V99-A128 HydrophobicContact CG1-CB 3.68Å
100G84.1Confident91.3Very high68 Ų6842.6 Ų42.670%0.70125%0.249SC*.THydrogen-bonded Turntrans712.317800000115.1H98 V126H98-G100 PolarHBondContact O-N 3.44Å; G100-V126 PolarHBondContact N-O 3.49Å; G100-V126 VanDerWaalsContact N-O 3.1Å
101K87.1Confident91.1Very high129 Ų12942.7 Ų42.756%0.56125%0.249SC*.  trans-103.5109.8174.2-65.7175.5-173.21580109.5E97 H98 V99 T103E97-K101 PolarHBondContact O-NZ 3.04Å; H98-K101 PolarHBondContact O-N 2.69Å; V99-K101 PolarHBondContact O-N 3.21Å; V99-K101 VanDerWaalsContact O-N 3.16Å; K101-T103 PolarHBondContact O-N 2.97Å
102P89.1Confident90.9Very high84 Ų8449 Ų4955%0.54527%0.273SS..EExtended strand (participates in β ladder)trans-65.8123.4176.127-33000109.6V123 N125P102-V123 HydrophobicContact CB-CG1 4.41Å; P102-N125 WeakPolarHBondContact CB-OD1 3.44Å
103T92.3Very high90.6Very high20 Ų2053.9 Ų53.912%0.12329%0.291CS..EExtended strand (participates in β ladder)trans-106123.6174.249.60000109.2K101 I124K101-T103 PolarHBondContact O-N 2.97Å; T103-I124 PolarHBondContact N-O 2.98Å; T103-I124 PolarHBondContact O-N 3.46Å; T103-I124 WeakPolarHBondContact OG1-CB 3.39Å; T103-I124 PolarHBondContact OG1-O 3.11Å
104V95.3Very high90.4Very high35 Ų3554.4 Ų54.421%0.21229%0.294CS..EExtended strand (participates in β ladder)trans-104.4115.2-176.6-171.60000109.3K68 N121 L122 V123K68-V104 HydrophobicContact CB-CB 4.07Å; K68-V104 HydrophobicContact CB-CG1 4.19Å; K68-V104 WeakPolarHBondContact CB-O 3.4Å; K68-V104 HydrophobicContact CD-CB 4.21Å; K68-V104 HydrophobicContact CD-CG1 3.85Å; K68-V104 PolarHBondContact N-O 3.38Å; V104-N121 HydrophobicContact CG1-CB 3.94Å; V104-L122 CarbonylContact C-O 3.58Å; V104-L122 WeakPolarHBondContact CA-O 3.34Å; V104-V123 HydrophobicContact CG1-CG2 4.28Å; V104-V123 HydrophobicContact CG2-CG2 4.23Å
105I96.2Very high90.4Very high0 Ų061.2 Ų61.20%032%0.324CS..EExtended strand (participates in β ladder)trans-99.2120.2177.4-53.7-56.6000108.9N66 L67 P74 L77 L90 I107 N121 L122 I124N66-I105 CarbonylContact O-C 3.6Å; N66-I105 VanDerWaalsContact O-CA 3.3Å; N66-I105 WeakPolarHBondContact O-CA 3.49Å; N66-I105 WeakPolarHBondContact O-CG2 3.31Å; L67-I105 HydrophobicContact CD1-CD1 4.3Å; P74-I105 HydrophobicContact CG-CD1 3.87Å; L77-I105 HydrophobicContact CD2-CD1 3.91Å; L77-I105 HydrophobicContact CD2-CG1 3.88Å; L90-I105 HydrophobicContact CD1-CG2 4.49Å; I105-I107 HydrophobicContact CG2-CG1 4.3Å; I105-N121 WeakPolarHBondContact O-CA 3.33Å; I105-L122 HydrophobicContact CB-CB 4.37Å; I105-L122 PolarHBondContact N-O 2.83Å; I105-L122 PolarHBondContact O-N 2.93Å; I105-I124 HydrophobicContact CG1-CD1 3.8Å; I105-I124 HydrophobicContact CG1-CG1 4.48Å
106E95.1Very high90.5Very high44 Ų4459.8 Ų59.821%0.20631%0.313CS..EExtended strand (participates in β ladder)trans-81.6116.8170.3-173.6177.3-169.600108.7T65 N66 R119T65-E106 WeakPolarHBondContact CA-O 3.11Å; N66-E106 PolarHBondContact N-O 3.23Å; N66-E106 PolarHBondContact O-N 2.83Å; E106-R119 WeakPolarHBondContact OE1-CD 3.49Å; E106-R119 IonicContact OE1-CZ 3.07Å; E106-R119 IonicContact OE1-NE 3.69Å; E106-R119 IonicContact OE1-NH1 2.82Å; E106-R119 PolarHBondContact OE1-NH1 3.34Å
107I95.6Very high90.8Very high4 Ų459.8 Ų59.82%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-102.7114.9176.7-57159.8000107.4L38 F43 F63 N64 T65 I105 R119 H120 L122L38-I107 HydrophobicContact CD1-CG2 4.05Å; L38-I107 HydrophobicContact CD2-CD1 3.66Å; L38-I107 HydrophobicContact CD2-CG1 4.42Å; L38-I107 HydrophobicContact CD2-CG2 4.38Å; F43-I107 HydrophobicContact CE1-CG2 3.81Å; F43-I107 HydrophobicContact CZ-CB 4.42Å; F43-I107 HydrophobicContact CZ-CG2 3.63Å; F63-I107 HydrophobicContact CD1-CG2 4.23Å; N64-I107 CarbonylContact O-C 3.42Å; N64-I107 WeakPolarHBondContact O-CA 3.32Å; T65-I107 HydrophobicContact CG2-CG1 4.1Å; T65-I107 HydrophobicContact CG2-CG2 4.21Å; I105-I107 HydrophobicContact CG2-CG1 4.3Å; I107-R119 CarbonylContact O-C 3.59Å; I107-R119 WeakPolarHBondContact O-CA 3.36Å; I107-H120 PolarHBondContact N-O 3.4Å; I107-H120 PolarHBondContact O-N 2.83Å; I107-L122 HydrophobicContact CD1-CB 3.71Å; I107-L122 HydrophobicContact CD1-CD2 4.35Å
108T94.5Very high91.1Very high26 Ų2653.5 Ų53.516%0.1628%0.277CS..EExtended strand (participates in β ladder)trans-107.1110.2173.7-57.30000109F63 N64 T117 A118 R119F63-T108 WeakPolarHBondContact CA-O 3.42Å; N64-T108 PolarHBondContact N-O 3.48Å; N64-T108 PolarHBondContact O-N 3.18Å; T108-T117 HydrophobicContact CG2-CG2 4.3Å; T108-A118 CarbonylContact C-O 3.55Å; T108-A118 WeakPolarHBondContact CA-O 3.11Å; T108-R119 HydrophobicContact CG2-CG 4.29Å
109A95.1Very high91.3Very high0 Ų058.4 Ų58.40%029%0.293CS..EExtended strand (participates in β ladder)trans-85.5131.8170.100000109.5F43 F47 I61 F63 T117 A118F43-A109 HydrophobicContact CB-CB 3.82Å; F43-A109 HydrophobicContact CD1-CB 3.34Å; F43-A109 HydrophobicContact CE1-CB 4.01Å; F43-A109 HydrophobicContact CG-CB 3.75Å; F47-A109 HydrophobicContact CZ-CB 4.04Å; I61-A109 HydrophobicContact CG2-CB 4.09Å; F63-A109 HydrophobicContact CD1-CB 3.73Å; F63-A109 HydrophobicContact CE1-CB 3.72Å; A109-T117 CarbonylContact O-C 3.58Å; A109-T117 VanDerWaalsContact O-CA 3.24Å; A109-T117 WeakPolarHBondContact O-CA 3.42Å; A109-A118 HydrophobicContact CB-CB 4.49Å; A109-A118 PolarHBondContact N-O 3.38Å; A109-A118 PolarHBondContact O-N 3.24Å
110Y93.9Very high91.5Very high75 Ų7557.1 Ų57.129%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-121.8118.4-179172.9-109.2000110I61 T62 R112 F115 T117I61-Y110 WeakPolarHBondContact CA-O 3.03Å; T62-Y110 PolarHBondContact N-O 2.95Å; T62-Y110 PolarHBondContact O-N 3.32Å; Y110-R112 HydrophobicContact CD1-CG 3.91Å; Y110-R112 HydrophobicContact CE1-CB 4.3Å; Y110-R112 HydrophobicContact CE1-CG 3.89Å; Y110-R112 PolarHBondContact O-N 3.29Å; Y110-F115 HydrophobicContact CE2-CB 4.25Å; Y110-F115 HydrophobicContact CE2-CD1 4.42Å; Y110-F115 AromaticContact CZ-CD1 3.99Å; Y110-F115 WeakPolarHBondContact OH-CD1 3.1Å; Y110-F115 WeakPolarHBondContact OH-CE1 3.34Å; Y110-T117 HydrophobicContact CD2-CG2 3.76Å
111N92.1Very high91.9Very high2 Ų255.9 Ų55.91%0.01126%0.261CS..EExtended strand (participates in β ladder)trans-79.8111.9173.4-173.3-35.6000109.1F47 D59 I61 R113 T114 F115 E116F47-N111 HydrophobicContact CD1-CB 4.46Å; F47-N111 HydrophobicContact CD2-CB 4.46Å; F47-N111 HydrophobicContact CE1-CB 4.11Å; F47-N111 HydrophobicContact CE2-CB 4.14Å; F47-N111 HydrophobicContact CZ-CB 3.96Å; D59-N111 PolarHBondContact OD2-ND2 3.39Å; I61-N111 HydrophobicContact CG1-CB 4.49Å; N111-R113 PolarHBondContact O-N 2.99Å; N111-R113 WeakPolarHBondContact OD1-CA 3.09Å; N111-R113 WeakPolarHBondContact OD1-CB 3.41Å; N111-R113 PolarHBondContact OD1-N 3.32Å; N111-T114 WeakPolarHBondContact CB-OG1 3.44Å; N111-T114 PolarHBondContact ND2-OG1 3.36Å; N111-T114 PolarHBondContact OD1-N 3.5Å; N111-T114 VanDerWaalsContact OD1-N 3.13Å; N111-F115 VanDerWaalsContact O-CA 3.26Å; N111-F115 WeakPolarHBondContact O-CA 3.33Å; N111-F115 PolarHBondContact O-N 3.09Å; N111-E116 PolarHBondContact N-O 2.99Å
112R91.2Very high92.3Very high140 Ų14049.8 Ų49.853%0.52824%0.235SC..THydrogen-bonded Turntrans-69.7-15-177.1-59.1-173.670.4172.22.9113.3P60 T62 Y110P60-R112 HydrophobicContact CB-CB 4.25Å; P60-R112 HydrophobicContact CG-CB 4.03Å; P60-R112 PolarHBondContact O-N 3.07Å; T62-R112 HydrophobicContact CG2-CG 4.18Å; Y110-R112 HydrophobicContact CD1-CG 3.91Å; Y110-R112 HydrophobicContact CE1-CB 4.3Å; Y110-R112 HydrophobicContact CE1-CG 3.89Å; Y110-R112 PolarHBondContact O-N 3.29Å
113R86.9Confident92.6Very high102 Ų10246.5 Ų46.539%0.38521%0.213SC..THydrogen-bonded Turntrans-89.7-47.5178.1-175.9-18068.7126.10.7111.7D59 P60 N111D59-R113 VanDerWaalsContact CG-NE 3.33Å; D59-R113 IonicContact OD1-CZ 2.97Å; D59-R113 IonicContact OD1-NE 2.81Å; D59-R113 PolarHBondContact OD1-NE 2.77Å; D59-R113 IonicContact OD1-NH1 3.97Å; D59-R113 IonicContact OD1-NH2 2.83Å; D59-R113 PolarHBondContact OD1-NH2 2.88Å; D59-R113 IonicContact OD2-CZ 3.43Å; D59-R113 IonicContact OD2-NE 3.3Å; D59-R113 PolarHBondContact OD2-NE 3.23Å; D59-R113 IonicContact OD2-NH2 2.75Å; D59-R113 PolarHBondContact OD2-NH2 2.65Å; P60-R113 HydrophobicContact CG-CB 4.29Å; N111-R113 PolarHBondContact O-N 2.99Å; N111-R113 WeakPolarHBondContact OD1-CA 3.09Å; N111-R113 WeakPolarHBondContact OD1-CB 3.41Å; N111-R113 PolarHBondContact OD1-N 3.32Å
114T87.5Confident92.8Very high31 Ų3145.6 Ų45.619%0.1921%0.207CC..THydrogen-bonded Turntrans-95.1-11.4-175.564.80000113.8N111 E116N111-T114 WeakPolarHBondContact CB-OG1 3.44Å; N111-T114 PolarHBondContact ND2-OG1 3.36Å; N111-T114 PolarHBondContact OD1-N 3.5Å; N111-T114 VanDerWaalsContact OD1-N 3.13Å; T114-E116 PolarHBondContact O-N 2.93Å; T114-E116 WeakPolarHBondContact OG1-CB 3.39Å; T114-E116 PolarHBondContact OG1-N 3.09Å; T114-E116 PolarHBondContact OG1-OE2 3.33Å
115F89.6Confident92.7Very high144 Ų14445.8 Ų45.863%0.63221%0.207SC*.  trans64.29.5-173.4-55.4-96.2000113.9Y110 N111Y110-F115 HydrophobicContact CE2-CB 4.25Å; Y110-F115 HydrophobicContact CE2-CD1 4.42Å; Y110-F115 AromaticContact CZ-CD1 3.99Å; Y110-F115 WeakPolarHBondContact OH-CD1 3.1Å; Y110-F115 WeakPolarHBondContact OH-CE1 3.34Å; N111-F115 VanDerWaalsContact O-CA 3.26Å; N111-F115 WeakPolarHBondContact O-CA 3.33Å; N111-F115 PolarHBondContact O-N 3.09Å
116E89.8Confident92.5Very high35 Ų3546 Ų4616%0.16421%0.209CC..  trans-76.8150.7178.4-67.9169.5163.800111F47 P48 Y50 N111 T114F47-E116 HydrophobicContact CD1-CB 3.74Å; F47-E116 HydrophobicContact CE1-CB 4.36Å; F47-E116 WeakPolarHBondContact CE1-O 3.42Å; F47-E116 HydrophobicContact CG-CB 4.49Å; P48-E116 HydrophobicContact CG-CG 4.35Å; P48-E116 WeakPolarHBondContact CG-OE1 3.33Å; Y50-E116 WeakPolarHBondContact CD2-OE1 3.38Å; N111-E116 PolarHBondContact N-O 2.99Å; T114-E116 PolarHBondContact O-N 2.93Å; T114-E116 WeakPolarHBondContact OG1-CB 3.39Å; T114-E116 PolarHBondContact OG1-N 3.09Å; T114-E116 PolarHBondContact OG1-OE2 3.33Å
117T91.8Very high92.3Very high80 Ų8048.5 Ų48.549%0.49122%0.221SC..EExtended strand (participates in β ladder)trans-124140.1178.755.10000110.5T108 A109 Y110T108-T117 HydrophobicContact CG2-CG2 4.3Å; A109-T117 CarbonylContact O-C 3.58Å; A109-T117 VanDerWaalsContact O-CA 3.24Å; A109-T117 WeakPolarHBondContact O-CA 3.42Å; Y110-T117 HydrophobicContact CD2-CG2 3.76Å
118A91.7Very high91.9Very high8 Ų851.9 Ų51.97%0.06625%0.25CC..EExtended strand (participates in β ladder)trans-122142.1170.400000108.3E46 F47 T108 A109E46-A118 HydrophobicContact CB-CB 3.76Å; F47-A118 HydrophobicContact CD1-CB 4.2Å; F47-A118 HydrophobicContact CE1-CB 3.87Å; F47-A118 HydrophobicContact CZ-CB 4.36Å; T108-A118 CarbonylContact C-O 3.55Å; T108-A118 WeakPolarHBondContact CA-O 3.11Å; A109-A118 HydrophobicContact CB-CB 4.49Å; A109-A118 PolarHBondContact N-O 3.38Å; A109-A118 PolarHBondContact O-N 3.24Å
119R90.9Very high91.2Very high150 Ų15052.4 Ų52.457%0.56625%0.253SS*.EExtended strand (participates in β ladder)trans-127.2133.6-174.5-64.1-173.1-173.8-160.78.6110.8E106 I107 T108E106-R119 WeakPolarHBondContact OE1-CD 3.49Å; E106-R119 IonicContact OE1-CZ 3.07Å; E106-R119 IonicContact OE1-NE 3.69Å; E106-R119 IonicContact OE1-NH1 2.82Å; E106-R119 PolarHBondContact OE1-NH1 3.34Å; I107-R119 CarbonylContact O-C 3.59Å; I107-R119 WeakPolarHBondContact O-CA 3.36Å; T108-R119 HydrophobicContact CG2-CG 4.29Å
120H91.6Very high89.8Confident22 Ų2262 Ų6210%0.10230%0.298CS..EExtended strand (participates in β ladder)trans-134.6151.1174-72.4-106.9000111.4H42 F43 E46 I107H42-H120 AromaticContact CD2-CE1 3.95Å; H42-H120 AromaticContact NE2-CE1 3.42Å; H42-H120 PolarHBondContact NE2-CE1 3.21Å; H42-H120 AromaticContact NE2-NE2 3.95Å; F43-H120 AromaticContact CD1-CD2 3.52Å; F43-H120 AromaticContact CD1-NE2 3.63Å; F43-H120 HydrophobicContact CE1-CB 4.3Å; F43-H120 AromaticContact CE1-CD2 3.12Å; F43-H120 WeakPolarHBondContact CE1-CD2 3.5Å; F43-H120 AromaticContact CE1-CG 3.98Å; F43-H120 AromaticContact CE1-NE2 3.6Å; F43-H120 AromaticContact CZ-CD2 3.91Å; E46-H120 IonicContact OE1-CE1 2.84Å; E46-H120 PolarHBondContact OE1-CE1 2.86Å; E46-H120 IonicContact OE1-ND1 2.71Å; E46-H120 IonicContact OE1-NE2 2.71Å; E46-H120 PolarHBondContact OE1-NE2 3.31Å; E46-H120 IonicContact OE2-CD2 2.96Å; E46-H120 PolarHBondContact OE2-CD2 3.33Å; E46-H120 IonicContact OE2-CE1 3.88Å; E46-H120 PolarHBondContact OE2-CE1 3.33Å; E46-H120 IonicContact OE2-NE2 2.79Å; E46-H120 PolarHBondContact OE2-NE2 2.97Å; I107-H120 PolarHBondContact N-O 3.4Å; I107-H120 PolarHBondContact O-N 2.83Å
121N93.6Very high88.4Confident42 Ų4263.2 Ų63.223%0.22531%0.306CS..EExtended strand (participates in β ladder)trans-102.7130.7167.9-52.1-43.4000109.9D23 R24 V104 I105D23-N121 VanDerWaalsContact OD1-CB 3.3Å; D23-N121 WeakPolarHBondContact OD1-CB 3.37Å; D23-N121 PolarHBondContact OD1-ND2 3.24Å; R24-N121 PolarHBondContact N-O 2.85Å; R24-N121 VanDerWaalsContact N-O 3.11Å; V104-N121 HydrophobicContact CG1-CB 3.94Å; I105-N121 WeakPolarHBondContact O-CA 3.33Å
122L95.1Very high87.3Confident2 Ų265 Ų651%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-104.6117.9167.3177.372.1000108.3R24 V26 L90 V104 I105 I107 I124R24-L122 HydrophobicContact CB-CD1 4.32Å; R24-L122 HydrophobicContact CG-CD1 4.42Å; V26-L122 HydrophobicContact CG1-CD1 3.83Å; V26-L122 HydrophobicContact CG2-CD1 3.93Å; V26-L122 HydrophobicContact CG2-CG 4.3Å; L90-L122 HydrophobicContact CD1-CD2 3.94Å; V104-L122 CarbonylContact C-O 3.58Å; V104-L122 WeakPolarHBondContact CA-O 3.34Å; I105-L122 HydrophobicContact CB-CB 4.37Å; I105-L122 PolarHBondContact N-O 2.83Å; I105-L122 PolarHBondContact O-N 2.93Å; I107-L122 HydrophobicContact CD1-CB 3.71Å; I107-L122 HydrophobicContact CD1-CD2 4.35Å; L122-I124 HydrophobicContact CD2-CD1 4.16Å; L122-I124 HydrophobicContact CD2-CG1 4.1Å; L122-I124 HydrophobicContact CG-CG1 4.04Å
123V95.3Very high86.6Confident15 Ų1562.8 Ų62.89%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-98.9113.8178.2-178.80000108.4D23 R24 N25 V26 P102 V104D23-V123 HydrophobicContact CB-CG2 3.92Å; R24-V123 PolarHBondContact O-N 3.41Å; N25-V123 CarbonylContact C-O 3.54Å; N25-V123 WeakPolarHBondContact CA-O 3.3Å; N25-V123 VanDerWaalsContact OD1-CB 3.25Å; N25-V123 WeakPolarHBondContact OD1-CB 3.41Å; N25-V123 WeakPolarHBondContact OD1-CG1 3.41Å; V26-V123 PolarHBondContact N-O 3.28Å; P102-V123 HydrophobicContact CB-CG1 4.41Å; V104-V123 HydrophobicContact CG1-CG2 4.28Å; V104-V123 HydrophobicContact CG2-CG2 4.23Å
124I95.2Very high86.6Confident0 Ų058.2 Ų58.20%030%0.301CS..EExtended strand (participates in β ladder)trans-102.4114.5-178.2-53.1177.1000109V26 P28 F34 W76 L77 T103 I105 L122 V126V26-I124 HydrophobicContact CG2-CB 4.1Å; V26-I124 HydrophobicContact CG2-CG1 3.72Å; V26-I124 HydrophobicContact CG2-CG2 4.2Å; P28-I124 HydrophobicContact CG-CG2 3.4Å; P28-I124 VanDerWaalsContact CG-CG2 3.4Å; F34-I124 HydrophobicContact CE1-CD1 4.02Å; F34-I124 HydrophobicContact CZ-CD1 4.3Å; W76-I124 HydrophobicContact CH2-CD1 4.16Å; W76-I124 HydrophobicContact CH2-CG2 4.09Å; W76-I124 HydrophobicContact CZ2-CD1 4.46Å; W76-I124 HydrophobicContact CZ2-CG2 4.37Å; L77-I124 HydrophobicContact CD2-CD1 4.12Å; T103-I124 PolarHBondContact N-O 2.98Å; T103-I124 PolarHBondContact O-N 3.46Å; T103-I124 WeakPolarHBondContact OG1-CB 3.39Å; T103-I124 PolarHBondContact OG1-O 3.11Å; I105-I124 HydrophobicContact CG1-CD1 3.8Å; I105-I124 HydrophobicContact CG1-CG1 4.48Å; L122-I124 HydrophobicContact CD2-CD1 4.16Å; L122-I124 HydrophobicContact CD2-CG1 4.1Å; L122-I124 HydrophobicContact CG-CG1 4.04Å; I124-V126 HydrophobicContact CG2-CG2 4.45Å
125N94.3Very high86.6Confident39 Ų3958.2 Ų58.221%0.20930%0.301CS..EExtended strand (participates in β ladder)trans-108.298.5-179.9-65.3-39.6000110V26 Y27 P102 M127V26-N125 PolarHBondContact O-N 3.41Å; Y27-N125 VanDerWaalsContact CA-O 3.31Å; Y27-N125 WeakPolarHBondContact CA-O 3.31Å; Y27-N125 HydrophobicContact CD1-CB 3.58Å; Y27-N125 HydrophobicContact CE1-CB 3.77Å; Y27-N125 WeakPolarHBondContact CE1-ND2 3.43Å; P102-N125 WeakPolarHBondContact CB-OD1 3.44Å; N125-M127 PolarHBondContact O-N 3.34Å
126V92.6Very high86.8Confident5 Ų553.2 Ų53.23%0.0328%0.279CS..PPolyproline II helixtrans-73.3122.1-178-175.20000110.4P28 A30 P94 H98 V99 G100 I124P28-V126 HydrophobicContact CG-CG2 4.31Å; P28-V126 CarbonylContact O-C 3.57Å; P28-V126 WeakPolarHBondContact O-CA 3.29Å; A30-V126 HydrophobicContact CB-CG1 4.05Å; P94-V126 HydrophobicContact CB-CB 4.44Å; P94-V126 HydrophobicContact CB-CG1 3.83Å; P94-V126 HydrophobicContact CB-CG2 3.68Å; P94-V126 HydrophobicContact CG-CG1 3.93Å; P94-V126 HydrophobicContact CG-CG2 4.1Å; H98-V126 HydrophobicContact CB-CB 4.46Å; H98-V126 HydrophobicContact CB-CG2 4.04Å; V99-V126 HydrophobicContact CG2-CG1 4.06Å; G100-V126 PolarHBondContact N-O 3.49Å; G100-V126 VanDerWaalsContact N-O 3.1Å; I124-V126 HydrophobicContact CG2-CG2 4.45Å
127M91.1Very high87Confident97 Ų9753.3 Ų53.348%0.47828%0.279SS..BIsolated β-bridgetrans-88.5144.3176.2-56.7-144.1-62.800111.3P28 A30 N125P28-M127 PolarHBondContact O-N 2.89Å; A30-M127 PolarHBondContact N-O 2.83Å; N125-M127 PolarHBondContact O-N 3.34Å
128A86.5Confident87.2Confident74 Ų7449.5 Ų49.561%0.61226%0.256SS*.PPolyproline II helixtrans-70.6142.3170.800000109.7V99V99-A128 HydrophobicContact CG1-CB 3.68Å
129T79.2Confident87.4Confident38 Ų3850.3 Ų50.323%0.23326%0.258CS..  trans-130.6117.3171.6-44.80000107.9S29 E131 F132S29-T129 WeakPolarHBondContact CB-OG1 3.48Å; T129-E131 HydrophobicContact CG2-CB 4.08Å; T129-E131 HydrophobicContact CG2-CG 4.31Å; T129-E131 PolarHBondContact O-N 3.35Å; T129-E131 VanDerWaalsContact O-N 3.13Å; T129-F132 HydrophobicContact CG2-CD2 3.64Å; T129-F132 HydrophobicContact CG2-CE2 4.12Å
130E66.2Low87.7Confident202 Ų20243.2 Ų43.294%0.94423%0.231SC*.THydrogen-bonded Turntrans-67-10.7179.2-62.3-169.7169.400112.9
131E65.4Low87.8Confident99 Ų9943.4 Ų43.446%0.46323%0.231SC..THydrogen-bonded Turntrans-98.47.5-171.5-46-172.1142.700113.3T129 R171T129-E131 HydrophobicContact CG2-CB 4.08Å; T129-E131 HydrophobicContact CG2-CG 4.31Å; T129-E131 PolarHBondContact O-N 3.35Å; T129-E131 VanDerWaalsContact O-N 3.13Å; E131-R171 VanDerWaalsContact CD-CZ 3.45Å; E131-R171 IonicContact OE1-CZ 3.22Å; E131-R171 IonicContact OE1-NH1 2.63Å; E131-R171 PolarHBondContact OE1-NH1 3.42Å; E131-R171 IonicContact OE1-NH2 3.02Å; E131-R171 PolarHBondContact OE1-NH2 3.37Å; E131-R171 IonicContact OE2-CZ 2.81Å; E131-R171 IonicContact OE2-NH1 3.86Å; E131-R171 PolarHBondContact OE2-NH1 2.93Å; E131-R171 IonicContact OE2-NH2 3.12Å
132F69Low88Confident39 Ų3941.4 Ų41.417%0.17122%0.221CC..  trans-126.8149.9179.9-80-91.4000111.9G31 V32 T129 L134 N173G31-F132 VanDerWaalsContact O-CE1 3.31Å; G31-F132 WeakPolarHBondContact O-CE1 3.47Å; V32-F132 HydrophobicContact CG2-CD2 4.38Å; V32-F132 HydrophobicContact CG2-CE1 4.02Å; V32-F132 HydrophobicContact CG2-CE2 3.53Å; V32-F132 HydrophobicContact CG2-CZ 3.31Å; T129-F132 HydrophobicContact CG2-CD2 3.64Å; T129-F132 HydrophobicContact CG2-CE2 4.12Å; F132-L134 HydrophobicContact CD1-CD1 4.47Å; F132-L134 HydrophobicContact CD1-CG 4.05Å; F132-L134 HydrophobicContact CE1-CD1 3.72Å; F132-L134 HydrophobicContact CE1-CG 3.79Å; F132-L134 HydrophobicContact CZ-CD1 4.06Å; F132-L134 HydrophobicContact CZ-CG 4.31Å; F132-N173 HydrophobicContact CE1-CB 4.41Å; F132-N173 HydrophobicContact CZ-CB 3.97Å; F132-N173 WeakPolarHBondContact CZ-ND2 3.44Å
133P75.1Confident87.8Confident95 Ų9546.1 Ų46.162%0.61724%0.241SC*.SBendcis-77145.63.831.1-34.7000113.2I254P133-I254 HydrophobicContact CB-CD1 4.2Å
134L86.7Confident87.7Confident6 Ų647.5 Ų47.53%0.03125%0.248CC..  trans-67.1127.1171.2-69.6172.2000109.3F132 Y136 N173 G203 D205 I254F132-L134 HydrophobicContact CD1-CD1 4.47Å; F132-L134 HydrophobicContact CD1-CG 4.05Å; F132-L134 HydrophobicContact CE1-CD1 3.72Å; F132-L134 HydrophobicContact CE1-CG 3.79Å; F132-L134 HydrophobicContact CZ-CD1 4.06Å; F132-L134 HydrophobicContact CZ-CG 4.31Å; L134-Y136 VanDerWaalsContact C-N 3.34Å; L134-Y136 PolarHBondContact O-N 2.91Å; L134-N173 HydrophobicContact CD1-CB 4.3Å; L134-G203 VanDerWaalsContact CD1-O 3.28Å; L134-G203 WeakPolarHBondContact CD1-O 3.43Å; L134-D205 HydrophobicContact CD2-CB 4.29Å; L134-I254 WeakPolarHBondContact O-CD1 3.44Å
135P88.7Confident87.6Confident30 Ų3048.8 Ų48.820%0.19525%0.254CS..SBendtrans-68.4-29.8-166.824.9-34.5000113.9A204 I254 N255P135-A204 WeakPolarHBondContact CD-O 3.14Å; P135-I254 WeakPolarHBondContact O-CG1 3.48Å; P135-I254 PolarHBondContact O-N 2.9Å; P135-N255 WeakPolarHBondContact CB-ND2 3.39Å
136Y93.1Very high87.4Confident40 Ų4047.1 Ų47.116%0.15725%0.245CC..EExtended strand (participates in β ladder)trans-108122.2179.6-57.2-79.2000109.9L134 G203 A204 V206 P207 F208 D253L134-Y136 VanDerWaalsContact C-N 3.34Å; L134-Y136 PolarHBondContact O-N 2.91Å; Y136-G203 CarbonylContact O-C 3.36Å; Y136-G203 WeakPolarHBondContact O-CA 3.45Å; Y136-A204 PolarHBondContact N-O 3.45Å; Y136-A204 PolarHBondContact O-N 2.99Å; Y136-V206 WeakPolarHBondContact CD2-O 3.32Å; Y136-P207 HydrophobicContact CE1-CB 4.18Å; Y136-P207 HydrophobicContact CE1-CG 4.38Å; Y136-P207 HydrophobicContact CE2-CB 4.34Å; Y136-P207 HydrophobicContact CE2-CG 3.92Å; Y136-F208 HydrophobicContact CD1-CD2 4.48Å; Y136-F208 HydrophobicContact CD1-CE2 4.07Å; Y136-F208 HydrophobicContact CD1-CZ 4.31Å; Y136-D253 HydrophobicContact CD1-CB 4.06Å; Y136-D253 HydrophobicContact CE1-CB 4.07Å; Y136-D253 VanDerWaalsContact CE1-CG 3.45Å; Y136-D253 WeakPolarHBondContact CE1-OD2 3.38Å
137Q94.2Very high87.5Confident36 Ų3646.9 Ų46.917%0.16824%0.244CC..EExtended strand (participates in β ladder)trans-121.3131.2179.2-57.3-172.51.400110.1I175 M201 V202 F208 V252 I254Q137-I175 HydrophobicContact CB-CD1 4.43Å; Q137-I175 VanDerWaalsContact CD-CD1 3.4Å; Q137-I175 HydrophobicContact CG-CD1 3.58Å; Q137-M201 PolarHBondContact OE1-SD 3.01Å; Q137-M201 VanDerWaalsContact OE1-SD 3.39Å; Q137-V202 CarbonylContact C-O 3.47Å; Q137-V202 WeakPolarHBondContact CA-O 3.44Å; Q137-F208 WeakPolarHBondContact O-CZ 3.4Å; Q137-V252 PolarHBondContact N-O 3.13Å; Q137-V252 PolarHBondContact O-N 2.8Å; Q137-I254 HydrophobicContact CG-CD1 4Å; Q137-I254 HydrophobicContact CG-CG1 4.37Å
138A95.5Very high87.5Confident0 Ų045.1 Ų45.10%023%0.234CC..EExtended strand (participates in β ladder)trans-118.2127.7172.800000109.5F140 W167 V202 F208 S250 L251A138-F140 HydrophobicContact CB-CD2 4.4Å; A138-F140 HydrophobicContact CB-CE2 3.59Å; A138-F140 HydrophobicContact CB-CZ 3.87Å; A138-W167 HydrophobicContact CB-CE3 4.44Å; A138-W167 HydrophobicContact CB-CH2 3.77Å; A138-W167 HydrophobicContact CB-CZ3 3.53Å; A138-V202 PolarHBondContact N-O 3.45Å; A138-V202 PolarHBondContact O-N 3.01Å; A138-F208 HydrophobicContact CB-CE1 4.12Å; A138-S250 CarbonylContact C-O 3.57Å; A138-S250 WeakPolarHBondContact CA-O 3.45Å; A138-L251 HydrophobicContact CB-CD2 3.64Å
139E96.1Very high87.7Confident26 Ų2644.1 Ų44.112%0.12122%0.217CC..EExtended strand (participates in β ladder)trans-105.8117.6176.5-178.2175.8-101.600110.6R183 Y199 M201 I249 S250E139-R183 IonicContact OE1-CZ 3.79Å; E139-R183 VanDerWaalsContact OE1-CZ 3.22Å; E139-R183 IonicContact OE1-NH1 2.96Å; E139-R183 PolarHBondContact OE1-NH1 2.76Å; E139-R183 IonicContact OE1-NH2 2.7Å; E139-R183 PolarHBondContact OE1-NH2 2.01Å; E139-R183 IonicContact OE2-CZ 2.71Å; E139-R183 IonicContact OE2-NH1 3.34Å; E139-R183 PolarHBondContact OE2-NH1 2.96Å; E139-R183 IonicContact OE2-NH2 3.95Å; E139-Y199 HydrophobicContact CG-CD1 4.13Å; E139-M201 WeakPolarHBondContact OE1-CE 3.48Å; E139-I249 VanDerWaalsContact O-CA 3.25Å; E139-I249 WeakPolarHBondContact O-CA 3.36Å; E139-I249 VanDerWaalsContact O-CG1 3.22Å; E139-I249 WeakPolarHBondContact O-CG1 3.42Å; E139-S250 PolarHBondContact N-O 2.84Å; E139-S250 PolarHBondContact O-N 2.84Å; E139-S250 VanDerWaalsContact O-N 3.13Å
140F96.6Very high88.5Confident0 Ų042.3 Ų42.30%021%0.206CC..EExtended strand (participates in β ladder)trans-103.4131.5-178-60.4-93.3000110.6A138 F159 V163 Y199 V200 V202 L212 I244 I249A138-F140 HydrophobicContact CB-CD2 4.4Å; A138-F140 HydrophobicContact CB-CE2 3.59Å; A138-F140 HydrophobicContact CB-CZ 3.87Å; F140-F159 HydrophobicContact CB-CZ 3.95Å; F140-F159 HydrophobicContact CD2-CE1 4.46Å; F140-F159 AromaticContact CD2-CZ 3.88Å; F140-F159 HydrophobicContact CD2-CZ 3.88Å; F140-F159 AromaticContact CG-CZ 3.87Å; F140-F159 HydrophobicContact CG-CZ 3.87Å; F140-V163 HydrophobicContact CE2-CG1 4.39Å; F140-V163 HydrophobicContact CE2-CG2 4.22Å; F140-V163 HydrophobicContact CZ-CG1 4.33Å; F140-V163 HydrophobicContact CZ-CG2 4.22Å; F140-Y199 CarbonylContact O-C 3.35Å; F140-Y199 VanDerWaalsContact O-CA 3.29Å; F140-Y199 WeakPolarHBondContact O-CA 3.49Å; F140-V200 PolarHBondContact N-O 2.91Å; F140-V200 PolarHBondContact O-N 3.19Å; F140-V202 HydrophobicContact CD2-CG2 4.08Å; F140-V202 HydrophobicContact CE2-CB 4.32Å; F140-V202 HydrophobicContact CE2-CG2 4.09Å; F140-L212 HydrophobicContact CE1-CD2 4Å; F140-L212 HydrophobicContact CZ-CD2 4.11Å; F140-I244 HydrophobicContact CD1-CD1 4.14Å; F140-I244 HydrophobicContact CD1-CG2 4.29Å; F140-I249 HydrophobicContact CD1-CD1 3.71Å; F140-I249 HydrophobicContact CD1-CG1 4.21Å; F140-I249 HydrophobicContact CE1-CD1 3.56Å; F140-I249 HydrophobicContact CE1-CG1 4.44Å; F140-I249 HydrophobicContact CZ-CD1 4.32Å
141Y95.4Very high89.8Confident26 Ų2633.2 Ų33.210%0.10216%0.164CC..EExtended strand (participates in β ladder)trans-97.8115.9169.9-177.5-123.5000110.6K143 A180 Y199 I244 D245 K248Y141-K143 HydrophobicContact CD1-CG 4.18Å; Y141-K143 HydrophobicContact CE1-CG 3.71Å; Y141-A180 HydrophobicContact CE2-CB 3.8Å; Y141-Y199 AromaticContact CD2-CD1 3.87Å; Y141-Y199 HydrophobicContact CD2-CD1 3.87Å; Y141-Y199 AromaticContact CD2-CD2 3.7Å; Y141-Y199 HydrophobicContact CD2-CD2 3.7Å; Y141-Y199 AromaticContact CD2-CE1 3.59Å; Y141-Y199 HydrophobicContact CD2-CE1 3.59Å; Y141-Y199 AromaticContact CD2-CE2 3.39Å; Y141-Y199 HydrophobicContact CD2-CE2 3.39Å; Y141-Y199 AromaticContact CD2-CG 3.92Å; Y141-Y199 HydrophobicContact CD2-CG 3.92Å; Y141-Y199 AromaticContact CD2-CZ 3.32Å; Y141-Y199 HydrophobicContact CE2-CD2 4.08Å; Y141-Y199 HydrophobicContact CE2-CE1 4.5Å; Y141-Y199 AromaticContact CE2-CE2 3.57Å; Y141-Y199 HydrophobicContact CE2-CE2 3.57Å; Y141-Y199 AromaticContact CE2-CZ 3.8Å; Y141-Y199 HydrophobicContact CG-CD1 4.25Å; Y141-Y199 AromaticContact CG-CE1 3.78Å; Y141-Y199 HydrophobicContact CG-CE1 3.78Å; Y141-Y199 HydrophobicContact CG-CE2 4.31Å; Y141-Y199 AromaticContact CG-CZ 3.8Å; Y141-I244 CarbonylContact O-C 3.6Å; Y141-I244 WeakPolarHBondContact O-CA 3.35Å; Y141-D245 HydrophobicContact CD1-CB 3.55Å; Y141-D245 HydrophobicContact CE1-CB 4.38Å; Y141-D245 HydrophobicContact CG-CB 4.39Å; Y141-D245 PolarHBondContact O-N 3.17Å; Y141-K248 HydrophobicContact CD1-CB 4.38Å; Y141-K248 HydrophobicContact CD1-CD 3.68Å; Y141-K248 HydrophobicContact CE1-CD 4.11Å; Y141-K248 HydrophobicContact CG-CB 4.47Å; Y141-K248 HydrophobicContact CG-CD 4.27Å
142I95.9Very high91.1Very high0 Ų030.6 Ų30.60%016%0.159CC..EExtended strand (participates in β ladder)trans-106.7117.5-178.7-54.3169.4000108.3N144 M145 M150 F159 G197 V198 V200 F242 I244I142-N144 VanDerWaalsContact CG2-OD1 3.26Å; I142-N144 WeakPolarHBondContact CG2-OD1 2.92Å; I142-M145 HydrophobicContact CG2-CB 3.97Å; I142-M145 HydrophobicContact CG2-CG 3.81Å; I142-M150 HydrophobicContact CD1-CE 4.13Å; I142-M150 HydrophobicContact CD1-SD 3.98Å; I142-F159 HydrophobicContact CD1-CD2 3.93Å; I142-F159 HydrophobicContact CD1-CE2 3.67Å; I142-F159 HydrophobicContact CD1-CZ 4.08Å; I142-F159 HydrophobicContact CG1-CE2 4.4Å; I142-G197 CarbonylContact O-C 3.58Å; I142-G197 WeakPolarHBondContact O-CA 3.24Å; I142-V198 HydrophobicContact CB-CG1 3.87Å; I142-V198 HydrophobicContact CD1-CG1 4.27Å; I142-V198 HydrophobicContact CG1-CG1 4.48Å; I142-V198 PolarHBondContact N-O 3.16Å; I142-V198 PolarHBondContact O-N 3.32Å; I142-V200 HydrophobicContact CD1-CG2 3.91Å; I142-F242 HydrophobicContact CD1-CD1 4.28Å; I142-F242 HydrophobicContact CG2-CB 4.36Å; I142-F242 HydrophobicContact CG2-CD1 4.33Å; I142-I244 HydrophobicContact CG1-CG1 4.4Å
143K92.1Very high92.1Very high102 Ų10233.6 Ų33.644%0.44319%0.185SC..THydrogen-bonded Turntrans-78.4-32.8-174-72.5174.1169.3155.80113.7Y141 H243 D245Y141-K143 HydrophobicContact CD1-CG 4.18Å; Y141-K143 HydrophobicContact CE1-CG 3.71Å; K143-H243 PolarHBondContact N-O 3.29Å; K143-D245 HydrophobicContact CD-CB 4.33Å; K143-D245 WeakPolarHBondContact CE-OD2 3.42Å; K143-D245 HydrophobicContact CG-CB 4.45Å; K143-D245 IonicContact NZ-OD1 2.83Å; K143-D245 IonicContact NZ-OD2 3.32Å; K143-D245 PolarHBondContact NZ-OD2 2.89Å
144N92.7Very high93Very high43 Ų4336.4 Ų36.423%0.2319%0.19CC..THydrogen-bonded Turntrans-9617.9-169.571.1-46.8000114.2I142 Q241 H243I142-N144 VanDerWaalsContact CG2-OD1 3.26Å; I142-N144 WeakPolarHBondContact CG2-OD1 2.92Å; N144-Q241 PolarHBondContact ND2-O 2.96Å; N144-H243 HydrophobicContact CB-CB 4.08Å; N144-H243 PolarHBondContact OD1-N 3.09Å
145M92.4Very high93.4Very high28 Ų2837.9 Ų37.914%0.13820%0.199CC..  trans-133.1148.2-177.5-69.8-64.7173.400111.1I142 E149 G197 V198 F242I142-M145 HydrophobicContact CG2-CB 3.97Å; I142-M145 HydrophobicContact CG2-CG 3.81Å; M145-E149 HydrophobicContact SD-CB 4.3Å; M145-G197 CarbonylContact O-C 3.52Å; M145-G197 WeakPolarHBondContact O-CA 3.47Å; M145-G197 PolarHBondContact O-N 3.22Å; M145-G197 VanDerWaalsContact O-N 3.15Å; M145-V198 HydrophobicContact CB-CG1 3.88Å; M145-F242 HydrophobicContact CE-CD1 4.32Å; M145-F242 HydrophobicContact CE-CE1 4.22Å; M145-F242 HydrophobicContact CG-CD1 4.42Å
146N91.8Very high93.7Very high4 Ų437.6 Ų37.62%0.02120%0.196CC..  trans-99.2165.6165.8-59.4-50.6000109.6R82 E148 E149 M150 K195 E196R82-N146 PolarHBondContact NH1-ND2 3.49Å; N146-E148 PolarHBondContact O-N 2.86Å; N146-E149 PolarHBondContact ND2-OE1 2.81Å; N146-E149 PolarHBondContact O-N 3.48Å; N146-M150 WeakPolarHBondContact O-CB 3.36Å; N146-M150 PolarHBondContact O-N 2.85Å; N146-K195 WeakPolarHBondContact ND2-CD 3.24Å; N146-E196 PolarHBondContact OD1-N 3.47Å
147V93.3Very high93.8Very high0 Ų037.5 Ų37.50%021%0.207CC..Hα-helixtrans-59.2-47.1179.1174.50000112I80 Y91 E149 M150 L151 I177 V198I80-V147 HydrophobicContact CD1-CB 3.86Å; I80-V147 HydrophobicContact CD1-CG1 4.18Å; Y91-V147 HydrophobicContact CE1-CG1 3.99Å; Y91-V147 HydrophobicContact CE2-CG1 3.93Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.76Å; V147-M150 PolarHBondContact O-N 2.84Å; V147-L151 HydrophobicContact CG1-CD1 3.51Å; V147-L151 HydrophobicContact CG1-CG 4.1Å; V147-L151 WeakPolarHBondContact O-CB 3.37Å; V147-L151 WeakPolarHBondContact O-CG 3.3Å; V147-L151 PolarHBondContact O-N 2.88Å; V147-I177 HydrophobicContact CG1-CG2 4.26Å; V147-V198 HydrophobicContact CG2-CG2 4Å
148E90.9Very high93.8Very high59 Ų5939.9 Ų39.928%0.27622%0.221SC..Hα-helixtrans-57.6-43.9178.3-179.4-175.9-169.900112.7R82 N146 L151R82-E148 WeakPolarHBondContact CB-OE2 3.12Å; N146-E148 PolarHBondContact O-N 2.86Å; E148-L151 PolarHBondContact O-N 3.13Å
149E91.9Very high93.9Very high54 Ų5439.9 Ų39.925%0.25222%0.221SC..Hα-helixtrans-68.5-39.2179.5-67.6165.6-141.600111.2R82 M145 N146 V147 A152 V155 K195R82-E149 IonicContact NH1-OE1 3.52Å; R82-E149 PolarHBondContact NH1-OE1 2.86Å; M145-E149 HydrophobicContact SD-CB 4.3Å; N146-E149 PolarHBondContact ND2-OE1 2.81Å; N146-E149 PolarHBondContact O-N 3.48Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.76Å; E149-A152 WeakPolarHBondContact O-CB 3.22Å; E149-A152 PolarHBondContact O-N 2.9Å; E149-V155 WeakPolarHBondContact O-CB 3.41Å; E149-K195 IonicContact OE1-NZ 3.17Å; E149-K195 PolarHBondContact OE1-NZ 3.44Å; E149-K195 IonicContact OE2-NZ 3.8Å; E149-K195 PolarHBondContact OE2-NZ 3.26Å
150M95.1Very high93.8Very high0 Ų040.3 Ų40.30%022%0.224CC..Hα-helixtrans-71.5-29.4177.8-17265.7-162.800112.8I142 N146 V147 A152 V155 L156 F159 I177 V198 V200 F242I142-M150 HydrophobicContact CD1-CE 4.13Å; I142-M150 HydrophobicContact CD1-SD 3.98Å; N146-M150 WeakPolarHBondContact O-CB 3.36Å; N146-M150 PolarHBondContact O-N 2.85Å; V147-M150 PolarHBondContact O-N 2.84Å; M150-A152 VanDerWaalsContact C-N 3.26Å; M150-A152 PolarHBondContact O-N 3.28Å; M150-V155 HydrophobicContact SD-CG1 4.28Å; M150-L156 HydrophobicContact CE-CD1 3.71Å; M150-L156 WeakPolarHBondContact O-CB 3.47Å; M150-F159 HydrophobicContact CE-CB 3.48Å; M150-F159 VanDerWaalsContact CE-CB 3.48Å; M150-F159 HydrophobicContact CE-CD1 3.37Å; M150-F159 HydrophobicContact CE-CD2 4.19Å; M150-F159 HydrophobicContact CE-CE1 4.14Å; M150-F159 HydrophobicContact CE-CG 3.39Å; M150-I177 HydrophobicContact CG-CD1 4.14Å; M150-V198 HydrophobicContact CB-CG1 4.18Å; M150-V198 HydrophobicContact CB-CG2 4.47Å; M150-V198 HydrophobicContact CG-CG1 4.15Å; M150-V198 HydrophobicContact CG-CG2 4.45Å; M150-V200 HydrophobicContact CE-CB 4.48Å; M150-V200 HydrophobicContact CE-CG1 4.19Å; M150-V200 HydrophobicContact CE-CG2 3.71Å; M150-V200 HydrophobicContact CG-CG2 3.89Å; M150-V200 HydrophobicContact SD-CG2 4.22Å; M150-F242 HydrophobicContact SD-CE1 4.34Å
151L94.8Very high93.8Very high11 Ų1141.6 Ų41.66%0.05824%0.238CC..THydrogen-bonded Turntrans-76.8-11.6178.8-74169.6000113.3L33 V35 I80 V89 Y91 V147 E148 S153 I177L33-L151 HydrophobicContact CD2-CD2 4.12Å; V35-L151 HydrophobicContact CG1-CB 4.41Å; V35-L151 HydrophobicContact CG1-CD2 4.25Å; V35-L151 HydrophobicContact CG2-CD2 3.68Å; I80-L151 HydrophobicContact CG2-CD1 4.34Å; V89-L151 HydrophobicContact CB-CD1 4.49Å; V89-L151 HydrophobicContact CG1-CD1 3.92Å; Y91-L151 HydrophobicContact CD1-CD1 3.48Å; Y91-L151 VanDerWaalsContact CD1-CD1 3.48Å; Y91-L151 HydrophobicContact CD2-CD1 4.02Å; Y91-L151 HydrophobicContact CD2-CD2 4.18Å; Y91-L151 HydrophobicContact CE1-CD1 3.97Å; Y91-L151 HydrophobicContact CE2-CD1 4.44Å; Y91-L151 HydrophobicContact CG-CD1 3.52Å; Y91-L151 HydrophobicContact CG-CD2 4.04Å; Y91-L151 HydrophobicContact CG-CG 4.46Å; V147-L151 HydrophobicContact CG1-CD1 3.51Å; V147-L151 HydrophobicContact CG1-CG 4.1Å; V147-L151 WeakPolarHBondContact O-CB 3.37Å; V147-L151 WeakPolarHBondContact O-CG 3.3Å; V147-L151 PolarHBondContact O-N 2.88Å; E148-L151 PolarHBondContact O-N 3.13Å; L151-S153 PolarHBondContact O-N 2.92Å; L151-I177 HydrophobicContact CD2-CD1 3.93Å
152A92.5Very high93.8Very high44 Ų4441.1 Ų41.136%0.36424%0.239SC..SBendtrans-59.5132.2172.100000110E149 M150 E154 V155 L156E149-A152 WeakPolarHBondContact O-CB 3.22Å; E149-A152 PolarHBondContact O-N 2.9Å; M150-A152 VanDerWaalsContact C-N 3.26Å; M150-A152 PolarHBondContact O-N 3.28Å; A152-E154 PolarHBondContact O-N 2.87Å; A152-V155 HydrophobicContact CB-CB 4.34Å; A152-V155 HydrophobicContact CB-CG2 4.1Å; A152-V155 PolarHBondContact O-N 3.15Å; A152-V155 VanDerWaalsContact O-N 3.16Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 PolarHBondContact O-N 3.06Å
153S89.8Confident93.8Very high101 Ų10141.2 Ų41.271%0.70624%0.24SC*.Hα-helixtrans-58-36.2-172.551.90000113.4L151 G157L151-S153 PolarHBondContact O-N 2.92Å; S153-G157 PolarHBondContact O-N 3.25Å
154E93.4Very high93.9Very high154 Ų15441.6 Ų41.672%0.7224%0.241SC*.Hα-helixtrans-67-50.9177.5-62.6178.1-179.200111.1A152 L156 G157 D158A152-E154 PolarHBondContact O-N 2.87Å; E154-L156 PolarHBondContact O-N 3.41Å; E154-G157 PolarHBondContact O-N 2.04Å; E154-D158 WeakPolarHBondContact O-CB 3.34Å; E154-D158 PolarHBondContact O-N 3.04Å
155V94.9Very high94Very high38 Ų3844.7 Ų44.723%0.2326%0.258CS..Hα-helixtrans-65.8-42.8-177.9-177.80000111.4E149 M150 A152 G157 D158 F159 F242E149-V155 WeakPolarHBondContact O-CB 3.41Å; M150-V155 HydrophobicContact SD-CG1 4.28Å; A152-V155 HydrophobicContact CB-CB 4.34Å; A152-V155 HydrophobicContact CB-CG2 4.1Å; A152-V155 PolarHBondContact O-N 3.15Å; A152-V155 VanDerWaalsContact O-N 3.16Å; V155-G157 VanDerWaalsContact C-N 3.33Å; V155-D158 PolarHBondContact O-N 3.16Å; V155-F159 WeakPolarHBondContact O-CB 3.3Å; V155-F159 PolarHBondContact O-N 3.48Å; V155-F242 HydrophobicContact CG1-CE1 3.88Å; V155-F242 HydrophobicContact CG1-CZ 4.18Å
156L94.9Very high94Very high23 Ų2343.9 Ų43.912%0.1225%0.254CS..Hα-helixtrans-64-41.3175.6-173.357.6000111.3L33 M150 A152 E154 F159 L160 A174 I177L33-L156 HydrophobicContact CD2-CD2 3.92Å; M150-L156 HydrophobicContact CE-CD1 3.71Å; M150-L156 WeakPolarHBondContact O-CB 3.47Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 PolarHBondContact O-N 3.06Å; E154-L156 PolarHBondContact O-N 3.41Å; L156-F159 PolarHBondContact O-N 2.98Å; L156-L160 HydrophobicContact CD1-CD1 4.47Å; L156-L160 HydrophobicContact CD1-CG 4.41Å; L156-L160 HydrophobicContact CG-CD1 4.22Å; L156-L160 WeakPolarHBondContact O-CB 3.29Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.25Å; L156-L160 PolarHBondContact O-N 3.38Å; L156-A174 HydrophobicContact CD1-CB 4.33Å; L156-I177 HydrophobicContact CD1-CD1 3.98Å
157G94.8Very high94.2Very high39 Ų3944 Ų4440%0.40226%0.255SS..Hα-helixtrans-61.9-46.417600000112.5S153 E154 V155 F159 L160 G161S153-G157 PolarHBondContact O-N 3.25Å; E154-G157 PolarHBondContact O-N 2.04Å; V155-G157 VanDerWaalsContact C-N 3.33Å; G157-F159 PolarHBondContact O-N 3.18Å; G157-L160 PolarHBondContact O-N 2.95Å; G157-G161 PolarHBondContact O-N 3.31Å
158D95.5Very high94.2Very high85 Ų8551.5 Ų51.546%0.45529%0.289SS..Hα-helixtrans-61.2-43.8176.7-76.4-10.8000111.5E154 V155 G161 A162 F242E154-D158 WeakPolarHBondContact O-CB 3.34Å; E154-D158 PolarHBondContact O-N 3.04Å; V155-D158 PolarHBondContact O-N 3.16Å; D158-G161 PolarHBondContact O-N 3.19Å; D158-A162 PolarHBondContact O-N 3.16Å; D158-F242 HydrophobicContact CB-CZ 4.4Å
159F96.4Very high94.3Very high0 Ų049.1 Ų49.10%028%0.279CS..Hα-helixtrans-62.5-50.1175.9178.1-105.6000112F140 I142 M150 V155 L156 G157 G161 A162 V163 V200 V202 F242 I244F140-F159 HydrophobicContact CB-CZ 3.95Å; F140-F159 HydrophobicContact CD2-CE1 4.46Å; F140-F159 AromaticContact CD2-CZ 3.88Å; F140-F159 HydrophobicContact CD2-CZ 3.88Å; F140-F159 AromaticContact CG-CZ 3.87Å; F140-F159 HydrophobicContact CG-CZ 3.87Å; I142-F159 HydrophobicContact CD1-CD2 3.93Å; I142-F159 HydrophobicContact CD1-CE2 3.67Å; I142-F159 HydrophobicContact CD1-CZ 4.08Å; I142-F159 HydrophobicContact CG1-CE2 4.4Å; M150-F159 HydrophobicContact CE-CB 3.48Å; M150-F159 VanDerWaalsContact CE-CB 3.48Å; M150-F159 HydrophobicContact CE-CD1 3.37Å; M150-F159 HydrophobicContact CE-CD2 4.19Å; M150-F159 HydrophobicContact CE-CE1 4.14Å; M150-F159 HydrophobicContact CE-CG 3.39Å; V155-F159 WeakPolarHBondContact O-CB 3.3Å; V155-F159 PolarHBondContact O-N 3.48Å; L156-F159 PolarHBondContact O-N 2.98Å; G157-F159 PolarHBondContact O-N 3.18Å; F159-G161 PolarHBondContact O-N 3.42Å; F159-A162 WeakPolarHBondContact O-CB 2.98Å; F159-A162 PolarHBondContact O-N 3.48Å; F159-A162 VanDerWaalsContact O-N 3.13Å; F159-V163 HydrophobicContact CD1-CG2 4.26Å; F159-V163 HydrophobicContact CD2-CG2 4.5Å; F159-V163 HydrophobicContact CE1-CG2 3.79Å; F159-V163 HydrophobicContact CE2-CG2 4.05Å; F159-V163 HydrophobicContact CZ-CG2 3.67Å; F159-V163 WeakPolarHBondContact O-CG2 3.01Å; F159-V163 PolarHBondContact O-N 3.44Å; F159-V200 HydrophobicContact CD1-CG1 4.06Å; F159-V200 HydrophobicContact CE1-CB 3.98Å; F159-V200 HydrophobicContact CE1-CG1 3.55Å; F159-V200 HydrophobicContact CZ-CB 4.38Å; F159-V200 HydrophobicContact CZ-CG1 4.41Å; F159-V202 HydrophobicContact CE1-CG2 3.83Å; F159-F242 HydrophobicContact CB-CE1 4.06Å; F159-F242 HydrophobicContact CB-CE2 3.92Å; F159-F242 HydrophobicContact CB-CZ 3.62Å; F159-F242 HydrophobicContact CD2-CD1 4.19Å; F159-F242 HydrophobicContact CD2-CD2 4.02Å; F159-F242 HydrophobicContact CD2-CE1 4.34Å; F159-F242 HydrophobicContact CD2-CE2 4.19Å; F159-F242 HydrophobicContact CD2-CG 4.02Å; F159-F242 HydrophobicContact CD2-CZ 4.35Å; F159-F242 HydrophobicContact CG-CZ 4.48Å; F159-I244 HydrophobicContact CE2-CD1 4.3Å
160L95.5Very high94.2Very high35 Ų3554 Ų5418%0.18330%0.302CS..Hα-helixtrans-62.1-35.1177.5-70.8177.5000111.5L156 G157 V163 K164 L172 A174 V202L156-L160 HydrophobicContact CD1-CD1 4.47Å; L156-L160 HydrophobicContact CD1-CG 4.41Å; L156-L160 HydrophobicContact CG-CD1 4.22Å; L156-L160 WeakPolarHBondContact O-CB 3.29Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.25Å; L156-L160 PolarHBondContact O-N 3.38Å; G157-L160 PolarHBondContact O-N 2.95Å; L160-V163 PolarHBondContact O-N 3.42Å; L160-K164 VanDerWaalsContact O-CB 3.28Å; L160-K164 WeakPolarHBondContact O-CB 3.46Å; L160-K164 PolarHBondContact O-N 2.95Å; L160-L172 HydrophobicContact CB-CD2 4.35Å; L160-L172 HydrophobicContact CD2-CD2 4.11Å; L160-L172 WeakPolarHBondContact O-CD2 3.35Å; L160-A174 HydrophobicContact CD1-CB 4.33Å; L160-A174 HydrophobicContact CD2-CB 4.26Å; L160-V202 HydrophobicContact CD2-CG1 3.8Å; L160-V202 HydrophobicContact CD2-CG2 4.15Å
161G95.1Very high93.9Very high28 Ų2858.8 Ų58.829%0.28932%0.32SS..Hα-helixtrans-61.8-45.7171.700000112.5G157 D158 F159 K164 N165G157-G161 PolarHBondContact O-N 3.31Å; D158-G161 PolarHBondContact O-N 3.19Å; F159-G161 PolarHBondContact O-N 3.42Å; G161-K164 PolarHBondContact O-N 2.67Å; G161-N165 WeakPolarHBondContact O-CB 3.37Å; G161-N165 PolarHBondContact O-N 3.09Å; G161-N165 PolarHBondContact O-ND2 2.89Å
162A95.2Very high93.8Very high16 Ų1659.4 Ų59.413%0.13232%0.323CS..Hα-helixtrans-62.2-43.3175.400000112D158 F159 N165 V166 F238D158-A162 PolarHBondContact O-N 3.16Å; F159-A162 WeakPolarHBondContact O-CB 2.98Å; F159-A162 PolarHBondContact O-N 3.48Å; F159-A162 VanDerWaalsContact O-N 3.13Å; A162-N165 PolarHBondContact O-N 3.09Å; A162-V166 PolarHBondContact O-N 3.41Å; A162-F238 HydrophobicContact CB-CD1 3.76Å; A162-F238 HydrophobicContact CB-CE1 3.66Å
163V95.8Very high93.7Very high2 Ų260.1 Ų60.11%0.01232%0.321CS..Hα-helixtrans-63-45.1175.1175.90000110.7F140 F159 L160 N165 V166 W167 L172 V202 F238F140-V163 HydrophobicContact CE2-CG1 4.39Å; F140-V163 HydrophobicContact CE2-CG2 4.22Å; F140-V163 HydrophobicContact CZ-CG1 4.33Å; F140-V163 HydrophobicContact CZ-CG2 4.22Å; F159-V163 HydrophobicContact CD1-CG2 4.26Å; F159-V163 HydrophobicContact CD2-CG2 4.5Å; F159-V163 HydrophobicContact CE1-CG2 3.79Å; F159-V163 HydrophobicContact CE2-CG2 4.05Å; F159-V163 HydrophobicContact CZ-CG2 3.67Å; F159-V163 WeakPolarHBondContact O-CG2 3.01Å; F159-V163 PolarHBondContact O-N 3.44Å; L160-V163 PolarHBondContact O-N 3.42Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 2.78Å; V163-V166 PolarHBondContact O-N 3.44Å; V163-W167 HydrophobicContact CG1-CE3 3.89Å; V163-W167 WeakPolarHBondContact O-CB 3.43Å; V163-W167 PolarHBondContact O-N 3.17Å; V163-L172 HydrophobicContact CB-CD2 4.07Å; V163-L172 HydrophobicContact CG1-CD1 3.95Å; V163-L172 HydrophobicContact CG1-CD2 3.91Å; V163-V202 HydrophobicContact CG1-CG1 4.34Å; V163-F238 HydrophobicContact CG2-CE1 3.86Å; V163-F238 HydrophobicContact CG2-CZ 4.29Å
164K95.2Very high93.9Very high109 Ų10955.6 Ų55.647%0.47429%0.29SS..Hα-helixtrans-59.1-39.1177.1-169.4174.4-176.4172.70112L160 G161 V166 Q168 P169 L172L160-K164 VanDerWaalsContact O-CB 3.28Å; L160-K164 WeakPolarHBondContact O-CB 3.46Å; L160-K164 PolarHBondContact O-N 2.95Å; G161-K164 PolarHBondContact O-N 2.67Å; K164-V166 PolarHBondContact O-N 2.94Å; K164-Q168 VanDerWaalsContact O-CA 3.29Å; K164-Q168 WeakPolarHBondContact O-CA 3.39Å; K164-Q168 PolarHBondContact O-N 2.9Å; K164-P169 HydrophobicContact CG-CG 4.43Å; K164-L172 HydrophobicContact CB-CD2 4.03Å
165N93.9Very high93.8Very high109 Ų10949.2 Ų49.258%0.58326%0.26SS*.Hα-helixtrans-69-17.5177.4-71.5-25.1000114.5G161 A162 V163 K237G161-N165 WeakPolarHBondContact O-CB 3.37Å; G161-N165 PolarHBondContact O-N 3.09Å; G161-N165 PolarHBondContact O-ND2 2.89Å; A162-N165 PolarHBondContact O-N 3.09Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 2.78Å; N165-K237 PolarHBondContact O-NZ 3.31Å
166V93.9Very high93.7Very high11 Ų1149.1 Ų49.17%0.06726%0.258CS..Hα-helixtrans-102.4-40.1179.8170.90000112A162 V163 K164 S209 C211 L212 C234 K237 F238A162-V166 PolarHBondContact O-N 3.41Å; V163-V166 PolarHBondContact O-N 3.44Å; K164-V166 PolarHBondContact O-N 2.94Å; V166-S209 VanDerWaalsContact O-CB 3.26Å; V166-S209 WeakPolarHBondContact O-CB 3.49Å; V166-S209 PolarHBondContact O-OG 2.9Å; V166-C211 HydrophobicContact CG1-CB 4.41Å; V166-L212 HydrophobicContact CG1-CD2 4.41Å; V166-L212 HydrophobicContact CG1-CG 4.32Å; V166-C234 HydrophobicContact CG1-CB 3.78Å; V166-C234 WeakPolarHBondContact CG1-SG 3.48Å; V166-C234 HydrophobicContact CG2-CB 3.94Å; V166-K237 HydrophobicContact CG2-CB 4.19Å; V166-K237 HydrophobicContact CG2-CD 3.43Å; V166-K237 VanDerWaalsContact CG2-CD 3.43Å; V166-K237 HydrophobicContact CG2-CG 4.46Å; V166-F238 HydrophobicContact CB-CE2 4.28Å; V166-F238 HydrophobicContact CB-CZ 4.12Å; V166-F238 HydrophobicContact CG1-CE2 4.36Å; V166-F238 HydrophobicContact CG2-CE2 3.68Å; V166-F238 HydrophobicContact CG2-CZ 3.79Å
167W95.1Very high93.7Very high6 Ų648 Ų482%0.02325%0.253CS..Hα-helixtrans-87.8-32.4-176.7-161.6-19.4000111.7A138 V163 P169 L172 A204 V206 P207 F208 L212A138-W167 HydrophobicContact CB-CE3 4.44Å; A138-W167 HydrophobicContact CB-CH2 3.77Å; A138-W167 HydrophobicContact CB-CZ3 3.53Å; V163-W167 HydrophobicContact CG1-CE3 3.89Å; V163-W167 WeakPolarHBondContact O-CB 3.43Å; V163-W167 PolarHBondContact O-N 3.17Å; W167-P169 VanDerWaalsContact C-CD 3.47Å; W167-L172 HydrophobicContact CE3-CD1 4.02Å; W167-L172 HydrophobicContact CZ3-CD1 4.35Å; W167-A204 HydrophobicContact CD2-CB 3.94Å; W167-A204 HydrophobicContact CE3-CB 4.15Å; W167-A204 HydrophobicContact CH2-CB 3.67Å; W167-A204 HydrophobicContact CZ2-CB 3.43Å; W167-A204 VanDerWaalsContact CZ2-CB 3.43Å; W167-A204 HydrophobicContact CZ3-CB 4.02Å; W167-V206 PolarHBondContact NE1-O 2.78Å; W167-V206 VanDerWaalsContact NE1-O 3.1Å; W167-P207 PolarHBondContact NE1-O 2.76Å; W167-F208 AromaticContact CE2-CD1 3.79Å; W167-F208 AromaticContact CH2-CD1 3.78Å; W167-F208 HydrophobicContact CH2-CD1 3.78Å; W167-F208 AromaticContact CH2-CE1 3.5Å; W167-F208 HydrophobicContact CH2-CE1 3.5Å; W167-F208 AromaticContact CZ2-CD1 3.27Å; W167-F208 HydrophobicContact CZ2-CD1 3.27Å; W167-F208 AromaticContact CZ2-CE1 3.35Å; W167-F208 HydrophobicContact CZ2-CE1 3.35Å; W167-F208 HydrophobicContact CZ2-CG 4.35Å; W167-F208 HydrophobicContact CZ2-CZ 4.47Å; W167-L212 HydrophobicContact CB-CD1 4.12Å; W167-L212 HydrophobicContact CD2-CD1 3.72Å; W167-L212 HydrophobicContact CE3-CD1 3.9Å; W167-L212 HydrophobicContact CG-CD1 3.85Å
168Q93.8Very high93.6Very high157 Ų15746.6 Ų46.673%0.73424%0.237SC*.  trans56.947.5-177.4-55.4-178-34.200115.6K164K164-Q168 VanDerWaalsContact O-CA 3.29Å; K164-Q168 WeakPolarHBondContact O-CA 3.39Å; K164-Q168 PolarHBondContact O-N 2.9Å
169P92.7Very high93.5Very high9 Ų942.9 Ų42.96%0.05822%0.217CC..  trans-79.2160.5173.736.3-38.1000112.5K164 W167 R171 L172 A204 D205 V206K164-P169 HydrophobicContact CG-CG 4.43Å; W167-P169 VanDerWaalsContact C-CD 3.47Å; P169-R171 WeakPolarHBondContact CB-O 2.99Å; P169-L172 HydrophobicContact CG-CB 3.71Å; P169-L172 HydrophobicContact CG-CD1 3.87Å; P169-L172 HydrophobicContact CG-CG 4.29Å; P169-A204 HydrophobicContact CB-CB 4.02Å; P169-D205 WeakPolarHBondContact CB-OD1 3.43Å; P169-V206 HydrophobicContact CB-CG2 3.74Å
170E89.1Confident93.3Very high157 Ų15743.2 Ų43.273%0.73422%0.22SC*.SBendtrans-74.9-41.7164.6-176.7179.1170.300109.5D205E170-D205 WeakPolarHBondContact CB-OD2 3.38Å; E170-D205 PolarHBondContact N-OD1 2.86Å
171R88.8Confident93Very high100 Ų10043.7 Ų43.738%0.37722%0.222SC..SBendtrans-124.2128.2179.7-58.4171.1178.5-162-15.2111.6E131 P169 A204 D205E131-R171 VanDerWaalsContact CD-CZ 3.45Å; E131-R171 IonicContact OE1-CZ 3.22Å; E131-R171 IonicContact OE1-NH1 2.63Å; E131-R171 PolarHBondContact OE1-NH1 3.42Å; E131-R171 IonicContact OE1-NH2 3.02Å; E131-R171 PolarHBondContact OE1-NH2 3.37Å; E131-R171 IonicContact OE2-CZ 2.81Å; E131-R171 IonicContact OE2-NH1 3.86Å; E131-R171 PolarHBondContact OE2-NH1 2.93Å; E131-R171 IonicContact OE2-NH2 3.12Å; P169-R171 WeakPolarHBondContact CB-O 2.99Å; R171-A204 WeakPolarHBondContact O-CA 3.19Å; R171-D205 HydrophobicContact CB-CB 4.37Å; R171-D205 WeakPolarHBondContact CB-OD2 3.47Å; R171-D205 WeakPolarHBondContact CG-OD2 3.45Å; R171-D205 PolarHBondContact N-OD1 3.49Å; R171-D205 VanDerWaalsContact N-OD1 3.17Å; R171-D205 PolarHBondContact N-OD2 2.85Å; R171-D205 VanDerWaalsContact N-OD2 3.11Å; R171-D205 PolarHBondContact O-N 3.35Å
172L92.6Very high92.6Very high25 Ų2547.1 Ų47.113%0.13123%0.234CC..EExtended strand (participates in β ladder)trans-139.8130.5179.2-171.484.2000109.8L160 V163 K164 W167 P169 V202 G203 A204L160-L172 HydrophobicContact CB-CD2 4.35Å; L160-L172 HydrophobicContact CD2-CD2 4.11Å; L160-L172 WeakPolarHBondContact O-CD2 3.35Å; V163-L172 HydrophobicContact CB-CD2 4.07Å; V163-L172 HydrophobicContact CG1-CD1 3.95Å; V163-L172 HydrophobicContact CG1-CD2 3.91Å; K164-L172 HydrophobicContact CB-CD2 4.03Å; W167-L172 HydrophobicContact CE3-CD1 4.02Å; W167-L172 HydrophobicContact CZ3-CD1 4.35Å; P169-L172 HydrophobicContact CG-CB 3.71Å; P169-L172 HydrophobicContact CG-CD1 3.87Å; P169-L172 HydrophobicContact CG-CG 4.29Å; L172-V202 HydrophobicContact CD1-CG1 3.43Å; L172-V202 VanDerWaalsContact CD1-CG1 3.43Å; L172-V202 HydrophobicContact CD2-CG1 4.1Å; L172-V202 HydrophobicContact CG-CG1 3.6Å; L172-G203 WeakPolarHBondContact CA-O 3.36Å; L172-G203 WeakPolarHBondContact CD1-O 3.4Å; L172-A204 HydrophobicContact CD1-CB 4.08Å
173N92.2Very high92.2Very high58 Ų5851.6 Ų51.631%0.3125%0.247SC..EExtended strand (participates in β ladder)trans-142.2146.5175.4-72.5-57.3000111.7F132 L134 I175 V202 G203F132-N173 HydrophobicContact CE1-CB 4.41Å; F132-N173 HydrophobicContact CZ-CB 3.97Å; F132-N173 WeakPolarHBondContact CZ-ND2 3.44Å; L134-N173 HydrophobicContact CD1-CB 4.3Å; N173-I175 PolarHBondContact O-N 3.44Å; N173-V202 WeakPolarHBondContact O-CA 3.46Å; N173-V202 WeakPolarHBondContact O-CG1 3.41Å; N173-G203 PolarHBondContact N-O 3.34Å; N173-G203 VanDerWaalsContact N-O 3.1Å; N173-G203 PolarHBondContact O-N 3.5Å
174A93.8Very high91.6Very high6 Ų654.8 Ų54.85%0.0528%0.281CS..EExtended strand (participates in β ladder)trans-68.8122.3166.500000108.9L33 L156 L160L33-A174 HydrophobicContact CB-CB 4.1Å; L33-A174 VanDerWaalsContact CB-O 3.31Å; L33-A174 WeakPolarHBondContact CB-O 3.4Å; L33-A174 HydrophobicContact CD2-CB 4.16Å; L33-A174 PolarHBondContact N-O 3.01Å; L156-A174 HydrophobicContact CD1-CB 4.33Å; L160-A174 HydrophobicContact CD1-CB 4.33Å; L160-A174 HydrophobicContact CD2-CB 4.26Å
175I91.5Very high91Very high20 Ų2051.3 Ų51.310%0.10328%0.276CS..EExtended strand (participates in β ladder)trans-89.5-45.3178.7-65.5176.3000110.2S93 Q137 N173 M201 G203S93-I175 WeakPolarHBondContact CB-O 3.48Å; S93-I175 PolarHBondContact OG-O 2.75Å; Q137-I175 HydrophobicContact CB-CD1 4.43Å; Q137-I175 VanDerWaalsContact CD-CD1 3.4Å; Q137-I175 HydrophobicContact CG-CD1 3.58Å; N173-I175 PolarHBondContact O-N 3.44Å; I175-M201 HydrophobicContact CB-CB 4.44Å; I175-M201 HydrophobicContact CB-CG 4.12Å; I175-M201 HydrophobicContact CB-SD 4.35Å; I175-M201 HydrophobicContact CG2-CG 4.45Å; I175-M201 HydrophobicContact CG2-SD 4.02Å; I175-M201 PolarHBondContact N-O 3.43Å; I175-G203 VanDerWaalsContact CD1-CA 3.48Å
176N92.8Very high90.5Very high36 Ų3657.4 Ų57.419%0.19329%0.291CS..EExtended strand (participates in β ladder)trans-155150.1-176-16911.3000110.8M201N176-M201 HydrophobicContact CB-CB 4.13Å; N176-M201 HydrophobicContact CB-SD 4.49Å; N176-M201 PolarHBondContact N-O 2.87Å; N176-M201 PolarHBondContact O-N 3.23Å
177I95.1Very high90.1Very high0 Ų062.2 Ų62.20%032%0.32CS..EExtended strand (participates in β ladder)trans-129125.7172.7-63-173.2000107.7L33 Y91 V147 M150 L151 L156 V198 Y199 V200L33-I177 HydrophobicContact CD1-CB 4.37Å; L33-I177 HydrophobicContact CD1-CG1 4.23Å; L33-I177 HydrophobicContact CD2-CD1 3.43Å; L33-I177 VanDerWaalsContact CD2-CD1 3.43Å; L33-I177 HydrophobicContact CD2-CG1 3.75Å; Y91-I177 WeakPolarHBondContact CE2-O 3.19Å; V147-I177 HydrophobicContact CG1-CG2 4.26Å; M150-I177 HydrophobicContact CG-CD1 4.14Å; L151-I177 HydrophobicContact CD2-CD1 3.93Å; L156-I177 HydrophobicContact CD1-CD1 3.98Å; I177-V198 HydrophobicContact CG2-CG2 3.37Å; I177-Y199 WeakPolarHBondContact CA-O 3.31Å; I177-V200 HydrophobicContact CD1-CG1 4.47Å; I177-V200 HydrophobicContact CD1-CG2 4.5Å; I177-V200 HydrophobicContact CG1-CG1 4.19Å; I177-V200 HydrophobicContact CG1-CG2 4.33Å
178T92.7Very high89.4Confident10 Ų1063.7 Ų63.76%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-130.9141179.555.40000110.8R183 Y199T178-R183 PolarHBondContact OG1-NE 3.37Å; T178-R183 VanDerWaalsContact OG1-NE 3.15Å; T178-R183 PolarHBondContact OG1-NH2 2.8Å; T178-Y199 PolarHBondContact N-O 2.8Å; T178-Y199 PolarHBondContact O-N 3.16Å; T178-Y199 WeakPolarHBondContact OG1-CB 3.42Å
179S92.1Very high88.8Confident7 Ų762.1 Ų62.15%0.04933%0.326CS..EExtended strand (participates in β ladder)trans-65.8147.8174.4-179.70000110L181 D182S179-L181 PolarHBondContact O-N 3.4Å; S179-L181 PolarHBondContact OG-N 3.46Å; S179-L181 VanDerWaalsContact OG-N 3.13Å; S179-D182 PolarHBondContact O-N 2.97Å
180A92.1Very high88Confident6 Ų668.1 Ų68.15%0.0537%0.365CS..THydrogen-bonded Turntrans-58.8-30.816800000112.2Y141 R183 G185 E196 G197 Y199Y141-A180 HydrophobicContact CE2-CB 3.8Å; A180-R183 PolarHBondContact O-N 3.02Å; A180-G185 VanDerWaalsContact O-CA 3.28Å; A180-G185 WeakPolarHBondContact O-CA 3.36Å; A180-G185 PolarHBondContact O-N 2.87Å; A180-E196 WeakPolarHBondContact CB-O 3.21Å; A180-G197 WeakPolarHBondContact CB-O 3.46Å; A180-G197 PolarHBondContact N-O 3.09Å; A180-G197 VanDerWaalsContact N-O 3.08Å; A180-Y199 HydrophobicContact CB-CE2 4.28Å
181L89.6Confident87.5Confident46 Ų4665.1 Ų65.124%0.24135%0.354CS..G310 helixtrans-65.6-40.1179.8-58.1-176.2000111.9S179 R183 G184 R186 V187 E196S179-L181 PolarHBondContact O-N 3.4Å; S179-L181 PolarHBondContact OG-N 3.46Å; S179-L181 VanDerWaalsContact OG-N 3.13Å; L181-R183 PolarHBondContact O-N 3.46Å; L181-R183 VanDerWaalsContact O-N 3.09Å; L181-G184 PolarHBondContact O-N 3.39Å; L181-R186 VanDerWaalsContact CD2-C 3.5Å; L181-R186 WeakPolarHBondContact CD2-O 3.42Å; L181-V187 HydrophobicContact CD1-CG2 4.16Å; L181-V187 HydrophobicContact CD2-CB 4.4Å; L181-V187 HydrophobicContact CD2-CG2 3.99Å; L181-E196 HydrophobicContact CD1-CB 4.49Å; L181-E196 VanDerWaalsContact CD1-CD 3.44Å; L181-E196 HydrophobicContact CD1-CG 3.89Å; L181-E196 WeakPolarHBondContact CD1-OE2 3.32Å; L181-E196 HydrophobicContact CD2-CG 4.48Å; L181-E196 HydrophobicContact CG-CB 4.28Å; L181-E196 HydrophobicContact CG-CG 4.18Å
182D87.1Confident86.6Confident100 Ų10067.3 Ų67.354%0.53537%0.373SS..G310 helixtrans-63-19.5178.5-62.9-23.3000112.5S179S179-D182 PolarHBondContact O-N 2.97Å
183R86.2Confident85.8Confident109 Ų10973.4 Ų73.441%0.41141%0.405SS..G310 helixtrans-98.818.2177.8-60-166-177.7-162.8-4.1113.6E139 T178 A180 L181 Y199E139-R183 IonicContact OE1-CZ 3.79Å; E139-R183 VanDerWaalsContact OE1-CZ 3.22Å; E139-R183 IonicContact OE1-NH1 2.96Å; E139-R183 PolarHBondContact OE1-NH1 2.76Å; E139-R183 IonicContact OE1-NH2 2.7Å; E139-R183 PolarHBondContact OE1-NH2 2.01Å; E139-R183 IonicContact OE2-CZ 2.71Å; E139-R183 IonicContact OE2-NH1 3.34Å; E139-R183 PolarHBondContact OE2-NH1 2.96Å; E139-R183 IonicContact OE2-NH2 3.95Å; T178-R183 PolarHBondContact OG1-NE 3.37Å; T178-R183 VanDerWaalsContact OG1-NE 3.15Å; T178-R183 PolarHBondContact OG1-NH2 2.8Å; A180-R183 PolarHBondContact O-N 3.02Å; L181-R183 PolarHBondContact O-N 3.46Å; L181-R183 VanDerWaalsContact O-N 3.09Å; R183-Y199 HydrophobicContact CG-CD2 4.49Å; R183-Y199 HydrophobicContact CG-CE2 4.47Å
184G83.8Confident85.4Confident70 Ų7075.2 Ų75.272%0.72242%0.415SS*.THydrogen-bonded Turntrans8018.4-177.800000113.7L181L181-G184 PolarHBondContact O-N 3.39Å
185G82.6Confident85.1Confident36 Ų3677.9 Ų77.937%0.37143%0.425SS..PPolyproline II helixtrans-63.1154.9167.500000111.6A180A180-G185 VanDerWaalsContact O-CA 3.28Å; A180-G185 WeakPolarHBondContact O-CA 3.36Å; A180-G185 PolarHBondContact O-N 2.87Å
186R82.5Confident85Confident236 Ų23679.3 Ų79.389%0.89143%0.431SS*.PPolyproline II helixtrans-82.7139.4175-65.8-178-179161.81.1109.6L181 P188L181-R186 VanDerWaalsContact CD2-C 3.5Å; L181-R186 WeakPolarHBondContact CD2-O 3.42Å; R186-P188 WeakPolarHBondContact O-CD 3.42Å
187V85.8Confident85Confident112 Ų11277.6 Ų77.668%0.67942%0.422SS*.PPolyproline II helixtrans-61.2120.1169.6-177.70000108L181L181-V187 HydrophobicContact CD1-CG2 4.16Å; L181-V187 HydrophobicContact CD2-CB 4.4Å; L181-V187 HydrophobicContact CD2-CG2 3.99Å
188P81.3Confident85Confident37 Ų3777.6 Ų77.624%0.2442%0.422CS..PPolyproline II helixtrans-64.3149.6179.427.5-33.8000109.7R186 L194 E196R186-P188 WeakPolarHBondContact O-CD 3.42Å; P188-L194 HydrophobicContact CB-CB 4.43Å; P188-E196 HydrophobicContact CG-CB 4.47Å; P188-E196 HydrophobicContact CG-CG 3.75Å
189L80.3Confident85.2Confident124 Ų12478.4 Ų78.465%0.64942%0.424SS*.PPolyproline II helixtrans-60.8146.2170.2-67173.4000109.1I191L189-I191 HydrophobicContact CB-CD1 3.8Å; L189-I191 HydrophobicContact CB-CG1 3.89Å; L189-I191 HydrophobicContact CD1-CD1 4.08Å; L189-I191 PolarHBondContact O-N 2.94Å
190P76.2Confident85.4Confident135 Ų13578.1 Ų78.188%0.87742%0.422SS*.SBendtrans-73.162.2178.632.1-36.3000110.9
191I78.3Confident85.6Confident95 Ų9579.7 Ų79.749%0.48743%0.429SS..  trans-105.9136.8176.2-58.2170.2000106.5L189 N193 L194L189-I191 HydrophobicContact CB-CD1 3.8Å; L189-I191 HydrophobicContact CB-CG1 3.89Å; L189-I191 HydrophobicContact CD1-CD1 4.08Å; L189-I191 PolarHBondContact O-N 2.94Å; I191-N193 PolarHBondContact O-N 2.93Å; I191-L194 HydrophobicContact CB-CD1 3.84Å; I191-L194 HydrophobicContact CD1-CD1 4Å; I191-L194 HydrophobicContact CG1-CD1 4.43Å; I191-L194 HydrophobicContact CG2-CD1 4.19Å; I191-L194 PolarHBondContact O-N 3.46Å
192N71.2Confident85.9Confident146 Ų14677.5 Ų77.578%0.78142%0.418SS*.THydrogen-bonded Turntrans-53.3134.1-178.6-65.7-17000111L194N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 3.38Å
193N74.3Confident86.2Confident152 Ų15272.8 Ų72.881%0.81339%0.392SS*.THydrogen-bonded Turntrans72.1-0.3179.3-51.5-28.4000117.1I191I191-N193 PolarHBondContact O-N 2.93Å
194L83.8Confident86.5Confident97 Ų9767.6 Ų67.651%0.50837%0.373SS..  trans-82.8120166.4-81.7163.3000109.5P188 I191 N192P188-L194 HydrophobicContact CB-CB 4.43Å; I191-L194 HydrophobicContact CB-CD1 3.84Å; I191-L194 HydrophobicContact CD1-CD1 4Å; I191-L194 HydrophobicContact CG1-CD1 4.43Å; I191-L194 HydrophobicContact CG2-CD1 4.19Å; I191-L194 PolarHBondContact O-N 3.46Å; N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 3.38Å
195K89.1Confident86.9Confident61 Ų6166.3 Ų66.327%0.26535%0.349SS..  trans-110.2155.8-177.2-55.2-78.2-178.8161.10108.5N146 E149 G197N146-K195 WeakPolarHBondContact ND2-CD 3.24Å; E149-K195 IonicContact OE1-NZ 3.17Å; E149-K195 PolarHBondContact OE1-NZ 3.44Å; E149-K195 IonicContact OE2-NZ 3.8Å; E149-K195 PolarHBondContact OE2-NZ 3.26Å; K195-G197 VanDerWaalsContact C-N 3.25Å; K195-G197 PolarHBondContact O-N 3.47Å
196E89.4Confident87.4Confident50 Ų5066.6 Ų66.623%0.23434%0.344CS..  trans-67-33.3-178.8-68.3166.5-164.400111.5N146 A180 L181 P188N146-E196 PolarHBondContact OD1-N 3.47Å; A180-E196 WeakPolarHBondContact CB-O 3.21Å; L181-E196 HydrophobicContact CD1-CB 4.49Å; L181-E196 VanDerWaalsContact CD1-CD 3.44Å; L181-E196 HydrophobicContact CD1-CG 3.89Å; L181-E196 WeakPolarHBondContact CD1-OE2 3.32Å; L181-E196 HydrophobicContact CD2-CG 4.48Å; L181-E196 HydrophobicContact CG-CB 4.28Å; L181-E196 HydrophobicContact CG-CG 4.18Å; P188-E196 HydrophobicContact CG-CB 4.47Å; P188-E196 HydrophobicContact CG-CG 3.75Å
197G92.8Very high88Confident0 Ų059.1 Ų59.10%033%0.326CS..  trans88.4153.2-170.700000111.6I142 M145 A180 K195I142-G197 CarbonylContact O-C 3.58Å; I142-G197 WeakPolarHBondContact O-CA 3.24Å; M145-G197 CarbonylContact O-C 3.52Å; M145-G197 WeakPolarHBondContact O-CA 3.47Å; M145-G197 PolarHBondContact O-N 3.22Å; M145-G197 VanDerWaalsContact O-N 3.15Å; A180-G197 WeakPolarHBondContact CB-O 3.46Å; A180-G197 PolarHBondContact N-O 3.09Å; A180-G197 VanDerWaalsContact N-O 3.08Å; K195-G197 VanDerWaalsContact C-N 3.25Å; K195-G197 PolarHBondContact O-N 3.47Å
198V95.1Very high88.4Confident0 Ų055.1 Ų55.10%030%0.299CS..EExtended strand (participates in β ladder)trans-137.1138.8-175.463.10000110.3I142 M145 V147 M150 I177 V200I142-V198 HydrophobicContact CB-CG1 3.87Å; I142-V198 HydrophobicContact CD1-CG1 4.27Å; I142-V198 HydrophobicContact CG1-CG1 4.48Å; I142-V198 PolarHBondContact N-O 3.16Å; I142-V198 PolarHBondContact O-N 3.32Å; M145-V198 HydrophobicContact CB-CG1 3.88Å; V147-V198 HydrophobicContact CG2-CG2 4Å; M150-V198 HydrophobicContact CB-CG1 4.18Å; M150-V198 HydrophobicContact CB-CG2 4.47Å; M150-V198 HydrophobicContact CG-CG1 4.15Å; M150-V198 HydrophobicContact CG-CG2 4.45Å; I177-V198 HydrophobicContact CG2-CG2 3.37Å; V198-V200 HydrophobicContact CG1-CG2 4.21Å; V198-V200 HydrophobicContact CG2-CG2 4.12Å
199Y95.8Very high89.1Confident28 Ų2854.4 Ų54.411%0.1130%0.295CS..EExtended strand (participates in β ladder)trans-96.5124.4168.2-69.2-93.1000108.7E139 F140 Y141 I177 T178 A180 R183E139-Y199 HydrophobicContact CG-CD1 4.13Å; F140-Y199 CarbonylContact O-C 3.35Å; F140-Y199 VanDerWaalsContact O-CA 3.29Å; F140-Y199 WeakPolarHBondContact O-CA 3.49Å; Y141-Y199 AromaticContact CD2-CD1 3.87Å; Y141-Y199 HydrophobicContact CD2-CD1 3.87Å; Y141-Y199 AromaticContact CD2-CD2 3.7Å; Y141-Y199 HydrophobicContact CD2-CD2 3.7Å; Y141-Y199 AromaticContact CD2-CE1 3.59Å; Y141-Y199 HydrophobicContact CD2-CE1 3.59Å; Y141-Y199 AromaticContact CD2-CE2 3.39Å; Y141-Y199 HydrophobicContact CD2-CE2 3.39Å; Y141-Y199 AromaticContact CD2-CG 3.92Å; Y141-Y199 HydrophobicContact CD2-CG 3.92Å; Y141-Y199 AromaticContact CD2-CZ 3.32Å; Y141-Y199 HydrophobicContact CE2-CD2 4.08Å; Y141-Y199 HydrophobicContact CE2-CE1 4.5Å; Y141-Y199 AromaticContact CE2-CE2 3.57Å; Y141-Y199 HydrophobicContact CE2-CE2 3.57Å; Y141-Y199 AromaticContact CE2-CZ 3.8Å; Y141-Y199 HydrophobicContact CG-CD1 4.25Å; Y141-Y199 AromaticContact CG-CE1 3.78Å; Y141-Y199 HydrophobicContact CG-CE1 3.78Å; Y141-Y199 HydrophobicContact CG-CE2 4.31Å; Y141-Y199 AromaticContact CG-CZ 3.8Å; I177-Y199 WeakPolarHBondContact CA-O 3.31Å; T178-Y199 PolarHBondContact N-O 2.8Å; T178-Y199 PolarHBondContact O-N 3.16Å; T178-Y199 WeakPolarHBondContact OG1-CB 3.42Å; A180-Y199 HydrophobicContact CB-CE2 4.28Å; R183-Y199 HydrophobicContact CG-CD2 4.49Å; R183-Y199 HydrophobicContact CG-CE2 4.47Å
200V96.7Very high89.7Confident0 Ų053.4 Ų53.40%030%0.299CS..EExtended strand (participates in β ladder)trans-117.9114.2178.2-175.50000108.1F140 I142 M150 F159 I177 V198 V202F140-V200 PolarHBondContact N-O 2.91Å; F140-V200 PolarHBondContact O-N 3.19Å; I142-V200 HydrophobicContact CD1-CG2 3.91Å; M150-V200 HydrophobicContact CE-CB 4.48Å; M150-V200 HydrophobicContact CE-CG1 4.19Å; M150-V200 HydrophobicContact CE-CG2 3.71Å; M150-V200 HydrophobicContact CG-CG2 3.89Å; M150-V200 HydrophobicContact SD-CG2 4.22Å; F159-V200 HydrophobicContact CD1-CG1 4.06Å; F159-V200 HydrophobicContact CE1-CB 3.98Å; F159-V200 HydrophobicContact CE1-CG1 3.55Å; F159-V200 HydrophobicContact CZ-CB 4.38Å; F159-V200 HydrophobicContact CZ-CG1 4.41Å; I177-V200 HydrophobicContact CD1-CG1 4.47Å; I177-V200 HydrophobicContact CD1-CG2 4.5Å; I177-V200 HydrophobicContact CG1-CG1 4.19Å; I177-V200 HydrophobicContact CG1-CG2 4.33Å; V198-V200 HydrophobicContact CG1-CG2 4.21Å; V198-V200 HydrophobicContact CG2-CG2 4.12Å; V200-V202 HydrophobicContact CG1-CG2 4.02Å
201M95.4Very high90.5Very high40 Ų4047.4 Ų47.420%0.19726%0.259CS..EExtended strand (participates in β ladder)trans-93.1125.6176-173.3178.8-7300109Q137 E139 I175 N176Q137-M201 PolarHBondContact OE1-SD 3.01Å; Q137-M201 VanDerWaalsContact OE1-SD 3.39Å; E139-M201 WeakPolarHBondContact OE1-CE 3.48Å; I175-M201 HydrophobicContact CB-CB 4.44Å; I175-M201 HydrophobicContact CB-CG 4.12Å; I175-M201 HydrophobicContact CB-SD 4.35Å; I175-M201 HydrophobicContact CG2-CG 4.45Å; I175-M201 HydrophobicContact CG2-SD 4.02Å; I175-M201 PolarHBondContact N-O 3.43Å; N176-M201 HydrophobicContact CB-CB 4.13Å; N176-M201 HydrophobicContact CB-SD 4.49Å; N176-M201 PolarHBondContact N-O 2.87Å; N176-M201 PolarHBondContact O-N 3.23Å
202V95.8Very high91.3Very high0 Ų042.9 Ų42.90%024%0.237CC..EExtended strand (participates in β ladder)trans-123.8130.8-177.6-167.50000109.1Q137 A138 F140 F159 L160 V163 L172 N173 V200Q137-V202 CarbonylContact C-O 3.47Å; Q137-V202 WeakPolarHBondContact CA-O 3.44Å; A138-V202 PolarHBondContact N-O 3.45Å; A138-V202 PolarHBondContact O-N 3.01Å; F140-V202 HydrophobicContact CD2-CG2 4.08Å; F140-V202 HydrophobicContact CE2-CB 4.32Å; F140-V202 HydrophobicContact CE2-CG2 4.09Å; F159-V202 HydrophobicContact CE1-CG2 3.83Å; L160-V202 HydrophobicContact CD2-CG1 3.8Å; L160-V202 HydrophobicContact CD2-CG2 4.15Å; V163-V202 HydrophobicContact CG1-CG1 4.34Å; L172-V202 HydrophobicContact CD1-CG1 3.43Å; L172-V202 VanDerWaalsContact CD1-CG1 3.43Å; L172-V202 HydrophobicContact CD2-CG1 4.1Å; L172-V202 HydrophobicContact CG-CG1 3.6Å; N173-V202 WeakPolarHBondContact O-CA 3.46Å; N173-V202 WeakPolarHBondContact O-CG1 3.41Å; V200-V202 HydrophobicContact CG1-CG2 4.02Å
203G93.5Very high92.4Very high0 Ų043.1 Ų43.10%023%0.226CC..EExtended strand (participates in β ladder)trans-99.414617500000112L134 Y136 L172 N173 I175L134-G203 VanDerWaalsContact CD1-O 3.28Å; L134-G203 WeakPolarHBondContact CD1-O 3.43Å; Y136-G203 CarbonylContact O-C 3.36Å; Y136-G203 WeakPolarHBondContact O-CA 3.45Å; L172-G203 WeakPolarHBondContact CA-O 3.36Å; L172-G203 WeakPolarHBondContact CD1-O 3.4Å; N173-G203 PolarHBondContact N-O 3.34Å; N173-G203 VanDerWaalsContact N-O 3.1Å; N173-G203 PolarHBondContact O-N 3.5Å; I175-G203 VanDerWaalsContact CD1-CA 3.48Å
204A94Very high93.3Very high0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-137.4157171.900000111.8P135 Y136 W167 P169 R171 L172P135-A204 WeakPolarHBondContact CD-O 3.14Å; Y136-A204 PolarHBondContact N-O 3.45Å; Y136-A204 PolarHBondContact O-N 2.99Å; W167-A204 HydrophobicContact CD2-CB 3.94Å; W167-A204 HydrophobicContact CE3-CB 4.15Å; W167-A204 HydrophobicContact CH2-CB 3.67Å; W167-A204 HydrophobicContact CZ2-CB 3.43Å; W167-A204 VanDerWaalsContact CZ2-CB 3.43Å; W167-A204 HydrophobicContact CZ3-CB 4.02Å; P169-A204 HydrophobicContact CB-CB 4.02Å; R171-A204 WeakPolarHBondContact O-CA 3.19Å; L172-A204 HydrophobicContact CD1-CB 4.08Å
205D92.2Very high93.7Very high43 Ų4334.9 Ų34.923%0.2318%0.182CC..SBendtrans-83.1-23.517455.6-9.6000113.6L134 P169 E170 R171L134-D205 HydrophobicContact CD2-CB 4.29Å; P169-D205 WeakPolarHBondContact CB-OD1 3.43Å; E170-D205 WeakPolarHBondContact CB-OD2 3.38Å; E170-D205 PolarHBondContact N-OD1 2.86Å; R171-D205 HydrophobicContact CB-CB 4.37Å; R171-D205 WeakPolarHBondContact CB-OD2 3.47Å; R171-D205 WeakPolarHBondContact CG-OD2 3.45Å; R171-D205 PolarHBondContact N-OD1 3.49Å; R171-D205 VanDerWaalsContact N-OD1 3.17Å; R171-D205 PolarHBondContact N-OD2 2.85Å; R171-D205 VanDerWaalsContact N-OD2 3.11Å; R171-D205 PolarHBondContact O-N 3.35Å
206V93.3Very high93.8Very high43 Ų4336.4 Ų36.426%0.26119%0.19SC..SBendtrans-100.7152.2180-54.60000113.1Y136 W167 P169Y136-V206 WeakPolarHBondContact CD2-O 3.32Å; W167-V206 PolarHBondContact NE1-O 2.78Å; W167-V206 VanDerWaalsContact NE1-O 3.1Å; P169-V206 HydrophobicContact CB-CG2 3.74Å
207P93.7Very high94Very high79 Ų7937.4 Ų37.451%0.51320%0.197SC..PPolyproline II helixtrans-56.2157.3173.6-2230.6000113.4Y136 W167 S209Y136-P207 HydrophobicContact CE1-CB 4.18Å; Y136-P207 HydrophobicContact CE1-CG 4.38Å; Y136-P207 HydrophobicContact CE2-CB 4.34Å; Y136-P207 HydrophobicContact CE2-CG 3.92Å; W167-P207 PolarHBondContact NE1-O 2.76Å; P207-S209 PolarHBondContact O-N 2.83Å
208F95.1Very high94.1Very high28 Ų2841.9 Ų41.912%0.12323%0.226CC..PPolyproline II helixtrans-57.1136.2178.6-53.7-65.8000112.3Y136 Q137 A138 W167 L212 R213 L251Y136-F208 HydrophobicContact CD1-CD2 4.48Å; Y136-F208 HydrophobicContact CD1-CE2 4.07Å; Y136-F208 HydrophobicContact CD1-CZ 4.31Å; Q137-F208 WeakPolarHBondContact O-CZ 3.4Å; A138-F208 HydrophobicContact CB-CE1 4.12Å; W167-F208 AromaticContact CE2-CD1 3.79Å; W167-F208 AromaticContact CH2-CD1 3.78Å; W167-F208 HydrophobicContact CH2-CD1 3.78Å; W167-F208 AromaticContact CH2-CE1 3.5Å; W167-F208 HydrophobicContact CH2-CE1 3.5Å; W167-F208 AromaticContact CZ2-CD1 3.27Å; W167-F208 HydrophobicContact CZ2-CD1 3.27Å; W167-F208 AromaticContact CZ2-CE1 3.35Å; W167-F208 HydrophobicContact CZ2-CE1 3.35Å; W167-F208 HydrophobicContact CZ2-CG 4.35Å; W167-F208 HydrophobicContact CZ2-CZ 4.47Å; F208-L212 HydrophobicContact CB-CB 4.25Å; F208-L212 HydrophobicContact CD1-CD1 4.42Å; F208-R213 HydrophobicContact CB-CG 3.87Å; F208-L251 HydrophobicContact CD1-CB 4.45Å; F208-L251 HydrophobicContact CD1-CD1 4.41Å; F208-L251 HydrophobicContact CD1-CD2 3.87Å; F208-L251 HydrophobicContact CD1-CG 4.47Å; F208-L251 HydrophobicContact CD2-CB 4.13Å; F208-L251 HydrophobicContact CD2-CD1 4.29Å; F208-L251 HydrophobicContact CE1-CB 4.07Å; F208-L251 HydrophobicContact CE1-CD2 3.83Å; F208-L251 HydrophobicContact CE1-CG 4.43Å; F208-L251 HydrophobicContact CE2-CB 3.73Å; F208-L251 HydrophobicContact CG-CB 4.48Å; F208-L251 HydrophobicContact CG-CD1 4.15Å; F208-L251 HydrophobicContact CG-CD2 4.43Å; F208-L251 HydrophobicContact CZ-CB 3.71Å; F208-L251 HydrophobicContact CZ-CD2 4.36Å
209S94.4Very high94Very high21 Ų2150.4 Ų50.415%0.14726%0.258CS..PPolyproline II helixtrans-64.9161.3175.469.20000111.9V166 P207 C211 L212 R213V166-S209 VanDerWaalsContact O-CB 3.26Å; V166-S209 WeakPolarHBondContact O-CB 3.49Å; V166-S209 PolarHBondContact O-OG 2.9Å; P207-S209 PolarHBondContact O-N 2.83Å; S209-C211 PolarHBondContact O-N 3.08Å; S209-L212 PolarHBondContact O-N 3.42Å; S209-L212 VanDerWaalsContact O-N 3.14Å; S209-R213 WeakPolarHBondContact O-CG 3.36Å; S209-R213 PolarHBondContact O-N 3.01Å; S209-R213 VanDerWaalsContact O-N 3.14Å
210S93.3Very high93.9Very high104 Ų10449.4 Ų49.473%0.72726%0.255SS*.THydrogen-bonded Turntrans-54.6-37.3179.554.60000112.4R213 E214S210-R213 PolarHBondContact O-N 2.78Å; S210-E214 PolarHBondContact O-N 3.48Å
211C94.1Very high93.7Very high8 Ų854.6 Ų54.65%0.05428%0.279CS..THydrogen-bonded Turntrans-65.4-49.2176.8-177.60000112.7V166 S209 R213 E214 I232 S233 C234V166-C211 HydrophobicContact CG1-CB 4.41Å; S209-C211 PolarHBondContact O-N 3.08Å; C211-R213 PolarHBondContact O-N 2.98Å; C211-E214 WeakPolarHBondContact O-CB 3.38Å; C211-E214 WeakPolarHBondContact O-CG 3.42Å; C211-E214 PolarHBondContact O-N 2.96Å; C211-I232 VanDerWaalsContact SG-CG2 3.58Å; C211-S233 PolarHBondContact SG-OG 3.22Å; C211-C234 HydrophobicContact CB-CB 3.74Å; C211-C234 WeakPolarHBondContact CB-SG 3.48Å; C211-C234 VanDerWaalsContact SG-CA 3.56Å; C211-C234 WeakPolarHBondContact SG-CB 3.49Å; C211-C234 PolarHBondContact SG-N 3.42Å; C211-C234 CovalentContact SG-SG 2.01Å; C211-C234 PolarHBondContact SG-SG 3.4Å
212L94.1Very high93.7Very high1 Ų157.2 Ų57.21%0.00529%0.293CS..G310 helixtrans-59.9-36.2-178.7-69.8177000110.8F140 V166 W167 F208 S209 E214 V215 W246 I249 L251F140-L212 HydrophobicContact CE1-CD2 4Å; F140-L212 HydrophobicContact CZ-CD2 4.11Å; V166-L212 HydrophobicContact CG1-CD2 4.41Å; V166-L212 HydrophobicContact CG1-CG 4.32Å; W167-L212 HydrophobicContact CB-CD1 4.12Å; W167-L212 HydrophobicContact CD2-CD1 3.72Å; W167-L212 HydrophobicContact CE3-CD1 3.9Å; W167-L212 HydrophobicContact CG-CD1 3.85Å; F208-L212 HydrophobicContact CB-CB 4.25Å; F208-L212 HydrophobicContact CD1-CD1 4.42Å; S209-L212 PolarHBondContact O-N 3.42Å; S209-L212 VanDerWaalsContact O-N 3.14Å; L212-E214 PolarHBondContact O-N 3.08Å; L212-V215 WeakPolarHBondContact O-CB 3.42Å; L212-V215 VanDerWaalsContact O-CG2 3.3Å; L212-V215 WeakPolarHBondContact O-CG2 3.2Å; L212-V215 PolarHBondContact O-N 2.96Å; L212-W246 HydrophobicContact CD2-CH2 4.48Å; L212-W246 HydrophobicContact CD2-CZ3 4.08Å; L212-I249 HydrophobicContact CD2-CD1 4.29Å; L212-L251 HydrophobicContact CB-CD1 4.38Å; L212-L251 WeakPolarHBondContact O-CD1 3.39Å
213R94.4Very high93.6Very high151 Ų15160.8 Ų60.857%0.5731%0.307SS*.G310 helixtrans-67.8-14.9175.2-66.6-176.464.6-159.9-4.5114.4F208 S209 S210 C211 V215 E216F208-R213 HydrophobicContact CB-CG 3.87Å; S209-R213 WeakPolarHBondContact O-CG 3.36Å; S209-R213 PolarHBondContact O-N 3.01Å; S209-R213 VanDerWaalsContact O-N 3.14Å; S210-R213 PolarHBondContact O-N 2.78Å; C211-R213 PolarHBondContact O-N 2.98Å; R213-V215 PolarHBondContact O-N 2.94Å; R213-E216 PolarHBondContact O-N 3.34Å; R213-E216 VanDerWaalsContact O-N 3.11Å
214E94.3Very high93.6Very high52 Ų5262.4 Ų62.424%0.24332%0.318CS..G310 helixtrans-63.1-22.2174.8-67.6170.3-163.800112.2S210 C211 L212 E216 N217 N220 I232 S233S210-E214 PolarHBondContact O-N 3.48Å; C211-E214 WeakPolarHBondContact O-CB 3.38Å; C211-E214 WeakPolarHBondContact O-CG 3.42Å; C211-E214 PolarHBondContact O-N 2.96Å; L212-E214 PolarHBondContact O-N 3.08Å; E214-E216 VanDerWaalsContact C-N 3.3Å; E214-E216 PolarHBondContact O-N 2.71Å; E214-N217 WeakPolarHBondContact O-CB 3.28Å; E214-N217 PolarHBondContact O-N 3.07Å; E214-N220 PolarHBondContact O-ND2 3.15Å; E214-I232 HydrophobicContact CB-CD1 3.86Å; E214-I232 WeakPolarHBondContact OE2-CA 3.38Å; E214-S233 VanDerWaalsContact CD-OG 3.29Å; E214-S233 WeakPolarHBondContact OE1-CB 3.17Å; E214-S233 PolarHBondContact OE1-OG 3.4Å; E214-S233 PolarHBondContact OE2-N 2.74Å; E214-S233 PolarHBondContact OE2-OG 2.99Å
215V92Very high93.6Very high23 Ų2366.6 Ų66.614%0.13935%0.347CS..G310 helixtrans-62.9-39.1174.2177.40000111.1L212 R213 N217 I232 W246 I249L212-V215 WeakPolarHBondContact O-CB 3.42Å; L212-V215 VanDerWaalsContact O-CG2 3.3Å; L212-V215 WeakPolarHBondContact O-CG2 3.2Å; L212-V215 PolarHBondContact O-N 2.96Å; R213-V215 PolarHBondContact O-N 2.94Å; V215-N217 PolarHBondContact O-N 3.13Å; V215-I232 HydrophobicContact CG2-CD1 3.99Å; V215-W246 HydrophobicContact CG2-CE3 3.86Å; V215-W246 HydrophobicContact CG2-CZ3 4.46Å; V215-I249 HydrophobicContact CB-CG2 3.82Å; V215-I249 HydrophobicContact CG1-CG2 3.15Å; V215-I249 HydrophobicContact CG2-CD1 4.44Å; V215-I249 HydrophobicContact CG2-CG2 3.46Å; V215-I249 VanDerWaalsContact CG2-CG2 3.46Å
216E91.4Very high93.8Very high94 Ų9469.8 Ų69.844%0.43936%0.36SS..G310 helixtrans-74.9-4.1179.9-61.3-179.6155.400112.6R213 E214 Q221 L251R213-E216 PolarHBondContact O-N 3.34Å; R213-E216 VanDerWaalsContact O-N 3.11Å; E214-E216 VanDerWaalsContact C-N 3.3Å; E214-E216 PolarHBondContact O-N 2.71Å; E216-Q221 PolarHBondContact O-NE2 3.32Å; E216-L251 HydrophobicContact CG-CD1 4.43Å
217N93.8Very high93.7Very high70 Ų7076.8 Ų76.837%0.37439%0.39SS..SBendtrans-67128.9179-174.3-16.2000110.5E214 V215 R219 N220 Q221E214-N217 WeakPolarHBondContact O-CB 3.28Å; E214-N217 PolarHBondContact O-N 3.07Å; V215-N217 PolarHBondContact O-N 3.13Å; N217-R219 PolarHBondContact O-N 3.13Å; N217-R219 PolarHBondContact OD1-N 2.89Å; N217-R219 VanDerWaalsContact OD1-N 3.15Å; N217-N220 HydrophobicContact CB-CB 4.46Å; N217-N220 PolarHBondContact O-N 2.83Å; N217-Q221 PolarHBondContact O-N 3.26Å
218P93.5Very high93.6Very high94 Ų9476.9 Ų76.961%0.6139%0.385SS*.Hα-helixtrans-55.2-30.8179.720.6-34.7000113.5L222P218-L222 WeakPolarHBondContact O-CB 2.96Å; P218-L222 PolarHBondContact O-N 3.18Å
219R93.6Very high93.2Very high180 Ų18082.3 Ų82.368%0.67941%0.411SS*.Hα-helixtrans-64.5-43.3175.7-172.3178.4-179.5-172.9-2111.8N217 L222 R223N217-R219 PolarHBondContact O-N 3.13Å; N217-R219 PolarHBondContact OD1-N 2.89Å; N217-R219 VanDerWaalsContact OD1-N 3.15Å; R219-L222 PolarHBondContact O-N 2.87Å; R219-R223 WeakPolarHBondContact O-CG 3.28Å; R219-R223 PolarHBondContact O-N 2.92Å; R219-R223 VanDerWaalsContact O-N 3.16Å
220N93.4Very high93.2Very high7 Ų782.4 Ų82.44%0.03741%0.411CS..Hα-helixtrans-73.3-37.4179.4-78-24.7000111.3E214 N217 L222 R223 C224 P230 D231 I232E214-N220 PolarHBondContact O-ND2 3.15Å; N217-N220 HydrophobicContact CB-CB 4.46Å; N217-N220 PolarHBondContact O-N 2.83Å; N220-L222 VanDerWaalsContact C-N 3.32Å; N220-L222 PolarHBondContact O-N 2.83Å; N220-R223 PolarHBondContact O-N 3.42Å; N220-C224 PolarHBondContact O-N 2.82Å; N220-C224 PolarHBondContact O-SG 3.29Å; N220-C224 VanDerWaalsContact O-SG 3.38Å; N220-P230 HydrophobicContact CB-CB 3.88Å; N220-D231 PolarHBondContact ND2-O 3.09Å; N220-D231 PolarHBondContact OD1-N 3.25Å; N220-D231 PolarHBondContact OD1-O 3.49Å; N220-I232 WeakPolarHBondContact ND2-CD1 3.16Å
221Q93.3Very high93.1Very high108 Ų10882.6 Ų82.651%0.50540%0.404SS..Hα-helixtrans-59.5-41.8172.1-68177.1-9.300112.2E216 N217 C224 S225E216-Q221 PolarHBondContact O-NE2 3.32Å; N217-Q221 PolarHBondContact O-N 3.26Å; Q221-C224 WeakPolarHBondContact O-CB 2.94Å; Q221-C224 PolarHBondContact O-N 2.85Å; Q221-S225 PolarHBondContact O-N 3.11Å
222L94.2Very high93.1Very high96 Ų9682.7 Ų82.750%0.50340%0.403SS..Hα-helixtrans-63-43.5175.3-176.266.7000111.5P218 R219 N220 C224 S225 Q226P218-L222 WeakPolarHBondContact O-CB 2.96Å; P218-L222 PolarHBondContact O-N 3.18Å; R219-L222 PolarHBondContact O-N 2.87Å; N220-L222 VanDerWaalsContact C-N 3.32Å; N220-L222 PolarHBondContact O-N 2.83Å; L222-C224 VanDerWaalsContact C-N 3.31Å; L222-C224 PolarHBondContact O-N 3.11Å; L222-S225 PolarHBondContact O-N 2.89Å; L222-S225 VanDerWaalsContact O-N 3.17Å; L222-S225 PolarHBondContact O-OG 3.07Å; L222-Q226 WeakPolarHBondContact O-CG 3.21Å; L222-Q226 PolarHBondContact O-N 3.3Å; L222-Q226 VanDerWaalsContact O-N 3.09Å
223R94.4Very high93.1Very high75 Ų7586.1 Ų86.128%0.28343%0.428SS..Hα-helixtrans-59.4-43.8175.8-67.3-17679.8-169.91.9111.3R219 N220 S225 Q226 E227 M228 E229 D231R219-R223 WeakPolarHBondContact O-CG 3.28Å; R219-R223 PolarHBondContact O-N 2.92Å; R219-R223 VanDerWaalsContact O-N 3.16Å; N220-R223 PolarHBondContact O-N 3.42Å; R223-S225 VanDerWaalsContact C-N 3.35Å; R223-S225 PolarHBondContact O-N 3.26Å; R223-Q226 CarbonylContact O-C 3.54Å; R223-Q226 WeakPolarHBondContact O-CA 3.49Å; R223-Q226 PolarHBondContact O-N 2.89Å; R223-Q226 VanDerWaalsContact O-N 3.07Å; R223-E227 PolarHBondContact O-N 2.89Å; R223-M228 CarbonylContact C-O 3.55Å; R223-M228 HydrophobicContact CB-CB 4.18Å; R223-M228 HydrophobicContact CG-CE 4.22Å; R223-M228 PolarHBondContact O-N 3.27Å; R223-E229 PolarHBondContact NE-O 3.29Å; R223-E229 VanDerWaalsContact NE-O 3.11Å; R223-E229 PolarHBondContact NH1-O 2.95Å; R223-E229 VanDerWaalsContact NH1-O 3.15Å; R223-E229 PolarHBondContact NH2-O 2.72Å; R223-D231 VanDerWaalsContact NH1-CB 3.34Å
224C94.3Very high93Very high34 Ų3479.2 Ų79.223%0.2340%0.403CS..Hα-helixtrans-60.7-41.1174.9-710000113N220 Q221 L222 Q226 E227 C247N220-C224 PolarHBondContact O-N 2.82Å; N220-C224 PolarHBondContact O-SG 3.29Å; N220-C224 VanDerWaalsContact O-SG 3.38Å; Q221-C224 WeakPolarHBondContact O-CB 2.94Å; Q221-C224 PolarHBondContact O-N 2.85Å; L222-C224 VanDerWaalsContact C-N 3.31Å; L222-C224 PolarHBondContact O-N 3.11Å; C224-Q226 PolarHBondContact O-N 3.03Å; C224-E227 PolarHBondContact O-N 3.13Å; C224-E227 VanDerWaalsContact O-N 3.13Å; C224-C247 WeakPolarHBondContact CA-SG 3.25Å; C224-C247 HydrophobicContact CB-CB 3.63Å; C224-C247 WeakPolarHBondContact CB-SG 3.38Å; C224-C247 WeakPolarHBondContact SG-CA 3.13Å; C224-C247 WeakPolarHBondContact SG-CB 3.3Å; C224-C247 CovalentContact SG-SG 2.04Å; C224-C247 PolarHBondContact SG-SG 3.24Å
225S93.8Very high92.9Very high88 Ų8877.6 Ų77.662%0.61540%0.396SS*.Hα-helixtrans-66-22.9175.874.60000113.6Q221 L222 R223 E227Q221-S225 PolarHBondContact O-N 3.11Å; L222-S225 PolarHBondContact O-N 2.89Å; L222-S225 VanDerWaalsContact O-N 3.17Å; L222-S225 PolarHBondContact O-OG 3.07Å; R223-S225 VanDerWaalsContact C-N 3.35Å; R223-S225 PolarHBondContact O-N 3.26Å; S225-E227 VanDerWaalsContact C-N 3.34Å
226Q94.6Very high92.9Very high109 Ų10985 Ų8551%0.50943%0.426SS..THydrogen-bonded Turntrans-96.212.8177.6-67.2175.4-23.100112.2L222 R223 C224 M228L222-Q226 WeakPolarHBondContact O-CG 3.21Å; L222-Q226 PolarHBondContact O-N 3.3Å; L222-Q226 VanDerWaalsContact O-N 3.09Å; R223-Q226 CarbonylContact O-C 3.54Å; R223-Q226 WeakPolarHBondContact O-CA 3.49Å; R223-Q226 PolarHBondContact O-N 2.89Å; R223-Q226 VanDerWaalsContact O-N 3.07Å; C224-Q226 PolarHBondContact O-N 3.03Å; Q226-M228 HydrophobicContact CB-CE 3.83Å; Q226-M228 HydrophobicContact CB-CG 4.41Å; Q226-M228 PolarHBondContact O-N 3.33Å; Q226-M228 VanDerWaalsContact O-N 3.11Å
227E91.2Very high92.9Very high190 Ų19086.5 Ų86.589%0.88843%0.431SS*.THydrogen-bonded Turntrans55.825.6-176.9-56.5-174.7166.500113.8R223 C224 S225R223-E227 PolarHBondContact O-N 2.89Å; C224-E227 PolarHBondContact O-N 3.13Å; C224-E227 VanDerWaalsContact O-N 3.13Å; S225-E227 VanDerWaalsContact C-N 3.34Å
228M91.6Very high92.9Very high81 Ų8183.3 Ų83.340%0.39941%0.414SS..PPolyproline II helixtrans-98.1143.1174.2-67.3-169.7-67.400110.8R223 Q226R223-M228 CarbonylContact C-O 3.55Å; R223-M228 HydrophobicContact CB-CB 4.18Å; R223-M228 HydrophobicContact CG-CE 4.22Å; R223-M228 PolarHBondContact O-N 3.27Å; Q226-M228 HydrophobicContact CB-CE 3.83Å; Q226-M228 HydrophobicContact CB-CG 4.41Å; Q226-M228 PolarHBondContact O-N 3.33Å; Q226-M228 VanDerWaalsContact O-N 3.11Å
229E88.5Confident92.7Very high143 Ų14385.2 Ų85.267%0.66841%0.409SS*.PPolyproline II helixtrans-59.4128.9174.3-67.3-174.516400110.6R223R223-E229 PolarHBondContact NE-O 3.29Å; R223-E229 VanDerWaalsContact NE-O 3.11Å; R223-E229 PolarHBondContact NH1-O 2.95Å; R223-E229 VanDerWaalsContact NH1-O 3.15Å; R223-E229 PolarHBondContact NH2-O 2.72Å
230P92.9Very high92.5Very high22 Ų2281.1 Ų81.114%0.14341%0.414CS..PPolyproline II helixtrans-70.7159.6177.829.6-34.3000111.5N220 I232 W246N220-P230 HydrophobicContact CB-CB 3.88Å; P230-I232 HydrophobicContact CB-CD1 4.44Å; P230-I232 HydrophobicContact CB-CG1 4.25Å; P230-I232 HydrophobicContact CG-CG1 4.16Å; P230-W246 HydrophobicContact CG-CB 3.55Å; P230-W246 HydrophobicContact CG-CG 4.47Å
231D91.8Very high92.4Very high109 Ų10985.3 Ų85.358%0.58343%0.433SS*.  trans-92.8103.8175-16011.1000108.7N220 R223N220-D231 PolarHBondContact ND2-O 3.09Å; N220-D231 PolarHBondContact OD1-N 3.25Å; N220-D231 PolarHBondContact OD1-O 3.49Å; R223-D231 VanDerWaalsContact NH1-CB 3.34Å
232I94.3Very high92.5Very high9 Ų980.4 Ų80.45%0.04641%0.41CS..  trans-120.7121.7-178.3-56.3-64.3000109C211 E214 V215 N220 P230 C234 D235 W246C211-I232 VanDerWaalsContact SG-CG2 3.58Å; E214-I232 HydrophobicContact CB-CD1 3.86Å; E214-I232 WeakPolarHBondContact OE2-CA 3.38Å; V215-I232 HydrophobicContact CG2-CD1 3.99Å; N220-I232 WeakPolarHBondContact ND2-CD1 3.16Å; P230-I232 HydrophobicContact CB-CD1 4.44Å; P230-I232 HydrophobicContact CB-CG1 4.25Å; P230-I232 HydrophobicContact CG-CG1 4.16Å; I232-C234 VanDerWaalsContact C-N 3.3Å; I232-C234 PolarHBondContact O-N 3.38Å; I232-D235 HydrophobicContact CB-CB 4.19Å; I232-D235 HydrophobicContact CG2-CB 4.47Å; I232-D235 WeakPolarHBondContact O-CB 3Å; I232-D235 PolarHBondContact O-N 3.04Å; I232-W246 HydrophobicContact CB-CD2 4.28Å; I232-W246 HydrophobicContact CB-CG 4.44Å; I232-W246 HydrophobicContact CG1-CB 4.01Å; I232-W246 HydrophobicContact CG1-CD2 3.99Å; I232-W246 HydrophobicContact CG1-CE3 4.32Å; I232-W246 HydrophobicContact CG1-CG 3.84Å; I232-W246 HydrophobicContact CG2-CD2 4.04Å; I232-W246 HydrophobicContact CG2-CE3 4.03Å; I232-W246 HydrophobicContact CG2-CH2 4.21Å; I232-W246 HydrophobicContact CG2-CZ2 4.23Å; I232-W246 HydrophobicContact CG2-CZ3 4.11Å
233S93.2Very high92.5Very high74 Ų7480.7 Ų80.752%0.51741%0.409SS..THydrogen-bonded Turntrans-63.4-33.7-172.163.40000113.5C211 E214C211-S233 PolarHBondContact SG-OG 3.22Å; E214-S233 VanDerWaalsContact CD-OG 3.29Å; E214-S233 WeakPolarHBondContact OE1-CB 3.17Å; E214-S233 PolarHBondContact OE1-OG 3.4Å; E214-S233 PolarHBondContact OE2-N 2.74Å; E214-S233 PolarHBondContact OE2-OG 2.99Å
234C93.3Very high92.5Very high6 Ų677.8 Ų77.84%0.04140%0.398CS..THydrogen-bonded Turntrans-93.8-2.2-178.658.80000114.8V166 C211 I232 K236 K237 F238V166-C234 HydrophobicContact CG1-CB 3.78Å; V166-C234 WeakPolarHBondContact CG1-SG 3.48Å; V166-C234 HydrophobicContact CG2-CB 3.94Å; C211-C234 HydrophobicContact CB-CB 3.74Å; C211-C234 WeakPolarHBondContact CB-SG 3.48Å; C211-C234 VanDerWaalsContact SG-CA 3.56Å; C211-C234 WeakPolarHBondContact SG-CB 3.49Å; C211-C234 PolarHBondContact SG-N 3.42Å; C211-C234 CovalentContact SG-SG 2.01Å; C211-C234 PolarHBondContact SG-SG 3.4Å; I232-C234 VanDerWaalsContact C-N 3.3Å; I232-C234 PolarHBondContact O-N 3.38Å; C234-K236 PolarHBondContact O-N 3.45Å; C234-K236 VanDerWaalsContact O-N 3.17Å; C234-K237 HydrophobicContact CB-CD 4.36Å; C234-K237 WeakPolarHBondContact O-CB 3.32Å; C234-K237 PolarHBondContact O-N 2.87Å; C234-F238 WeakPolarHBondContact O-CD2 3.37Å
235D92.9Very high92.5Very high18 Ų1877.2 Ų77.210%0.09639%0.393CS..Hα-helixtrans-53.3-39.1178.2174.454.1000112.5I232 K237 F238 R239 W246I232-D235 HydrophobicContact CB-CB 4.19Å; I232-D235 HydrophobicContact CG2-CB 4.47Å; I232-D235 WeakPolarHBondContact O-CB 3Å; I232-D235 PolarHBondContact O-N 3.04Å; D235-K237 PolarHBondContact O-N 3.29Å; D235-K237 VanDerWaalsContact O-N 3.08Å; D235-F238 PolarHBondContact O-N 3.32Å; D235-R239 PolarHBondContact O-N 3.44Å; D235-R239 VanDerWaalsContact O-N 3.08Å; D235-R239 IonicContact OD2-CZ 3.09Å; D235-R239 IonicContact OD2-NE 3.96Å; D235-R239 PolarHBondContact OD2-NE 3.49Å; D235-R239 IonicContact OD2-NH2 3.29Å; D235-R239 PolarHBondContact OD2-NH2 3.09Å; D235-W246 HydrophobicContact CB-CZ2 4.23Å; D235-W246 PolarHBondContact OD1-NE1 3.47Å
236K91.4Very high92.5Very high179 Ų17973.5 Ų73.578%0.77837%0.365SS*.Hα-helixtrans-57.9-26178-64.1-177.9-177.4176.70113.8C234 F238C234-K236 PolarHBondContact O-N 3.45Å; C234-K236 VanDerWaalsContact O-N 3.17Å; K236-F238 VanDerWaalsContact C-N 3.31Å
237K91.3Very high92.5Very high125 Ų12570.8 Ų70.854%0.54336%0.358SS..Hα-helixtrans-74.9-22.1178.3-67.7176167.1-173.30112.5N165 V166 C234 D235N165-K237 PolarHBondContact O-NZ 3.31Å; V166-K237 HydrophobicContact CG2-CB 4.19Å; V166-K237 HydrophobicContact CG2-CD 3.43Å; V166-K237 VanDerWaalsContact CG2-CD 3.43Å; V166-K237 HydrophobicContact CG2-CG 4.46Å; C234-K237 HydrophobicContact CB-CD 4.36Å; C234-K237 WeakPolarHBondContact O-CB 3.32Å; C234-K237 PolarHBondContact O-N 2.87Å; D235-K237 PolarHBondContact O-N 3.29Å; D235-K237 VanDerWaalsContact O-N 3.08Å
238F93.6Very high92.5Very high3 Ų366.7 Ų66.71%0.01334%0.337CS..Hα-helixtrans-99.7-36.5-179-63.6-81.3000112.6A162 V163 V166 C234 D235 K236 A240 Q241 F242 I244 W246A162-F238 HydrophobicContact CB-CD1 3.76Å; A162-F238 HydrophobicContact CB-CE1 3.66Å; V163-F238 HydrophobicContact CG2-CE1 3.86Å; V163-F238 HydrophobicContact CG2-CZ 4.29Å; V166-F238 HydrophobicContact CB-CE2 4.28Å; V166-F238 HydrophobicContact CB-CZ 4.12Å; V166-F238 HydrophobicContact CG1-CE2 4.36Å; V166-F238 HydrophobicContact CG2-CE2 3.68Å; V166-F238 HydrophobicContact CG2-CZ 3.79Å; C234-F238 WeakPolarHBondContact O-CD2 3.37Å; D235-F238 PolarHBondContact O-N 3.32Å; K236-F238 VanDerWaalsContact C-N 3.31Å; F238-A240 PolarHBondContact O-N 2.83Å; F238-Q241 PolarHBondContact O-N 3.05Å; F238-Q241 VanDerWaalsContact O-N 3.08Å; F238-F242 CarbonylContact C-O 3.43Å; F238-F242 HydrophobicContact CB-CB 4.47Å; F238-F242 PolarHBondContact O-N 2.79Å; F238-I244 HydrophobicContact CB-CD1 3.65Å; F238-I244 HydrophobicContact CB-CG1 4.28Å; F238-I244 HydrophobicContact CD1-CD1 3.54Å; F238-I244 HydrophobicContact CD2-CD1 3.96Å; F238-I244 HydrophobicContact CE1-CD1 4.12Å; F238-I244 HydrophobicContact CE2-CD1 4.48Å; F238-I244 HydrophobicContact CG-CD1 3.44Å; F238-I244 VanDerWaalsContact CG-CD1 3.44Å; F238-W246 AromaticContact CD2-CH2 4Å; F238-W246 HydrophobicContact CD2-CH2 4Å; F238-W246 AromaticContact CD2-CZ2 3.78Å; F238-W246 HydrophobicContact CD2-CZ2 3.78Å; F238-W246 AromaticContact CE2-CH2 3.83Å; F238-W246 HydrophobicContact CE2-CH2 3.83Å; F238-W246 HydrophobicContact CE2-CZ2 4.11Å
239R89.9Confident92.6Very high133 Ų13363.7 Ų63.750%0.50232%0.323SS..THydrogen-bonded Turntrans-55.2-19.9-171.9-87.5-140.3-119175.2-10.7116.9D235 Q241D235-R239 PolarHBondContact O-N 3.44Å; D235-R239 VanDerWaalsContact O-N 3.08Å; D235-R239 IonicContact OD2-CZ 3.09Å; D235-R239 IonicContact OD2-NE 3.96Å; D235-R239 PolarHBondContact OD2-NE 3.49Å; D235-R239 IonicContact OD2-NH2 3.29Å; D235-R239 PolarHBondContact OD2-NH2 3.09Å; R239-Q241 PolarHBondContact O-N 2.78Å
240A88.9Confident92.8Very high95 Ų9559.4 Ų59.479%0.78531%0.308SS*.THydrogen-bonded Turntrans-60-34.5176.600000112.4F238F238-A240 PolarHBondContact O-N 2.83Å
241Q91Very high92.8Very high95 Ų9559.5 Ų59.544%0.44431%0.308SS..THydrogen-bonded Turntrans-131.3-29-177.5-68.4179.9-11.300113N144 F238 R239N144-Q241 PolarHBondContact ND2-O 2.96Å; F238-Q241 PolarHBondContact O-N 3.05Å; F238-Q241 VanDerWaalsContact O-N 3.08Å; R239-Q241 PolarHBondContact O-N 2.78Å
242F95.1Very high92.8Very high4 Ų456.9 Ų56.92%0.01830%0.295CS..  trans-122.1118.9-171.6-53.7-72.5000111.5I142 M145 M150 V155 D158 F159 F238 I244I142-F242 HydrophobicContact CD1-CD1 4.28Å; I142-F242 HydrophobicContact CG2-CB 4.36Å; I142-F242 HydrophobicContact CG2-CD1 4.33Å; M145-F242 HydrophobicContact CE-CD1 4.32Å; M145-F242 HydrophobicContact CE-CE1 4.22Å; M145-F242 HydrophobicContact CG-CD1 4.42Å; M150-F242 HydrophobicContact SD-CE1 4.34Å; V155-F242 HydrophobicContact CG1-CE1 3.88Å; V155-F242 HydrophobicContact CG1-CZ 4.18Å; D158-F242 HydrophobicContact CB-CZ 4.4Å; F159-F242 HydrophobicContact CB-CE1 4.06Å; F159-F242 HydrophobicContact CB-CE2 3.92Å; F159-F242 HydrophobicContact CB-CZ 3.62Å; F159-F242 HydrophobicContact CD2-CD1 4.19Å; F159-F242 HydrophobicContact CD2-CD2 4.02Å; F159-F242 HydrophobicContact CD2-CE1 4.34Å; F159-F242 HydrophobicContact CD2-CE2 4.19Å; F159-F242 HydrophobicContact CD2-CG 4.02Å; F159-F242 HydrophobicContact CD2-CZ 4.35Å; F159-F242 HydrophobicContact CG-CZ 4.48Å; F238-F242 CarbonylContact C-O 3.43Å; F238-F242 HydrophobicContact CB-CB 4.47Å; F238-F242 PolarHBondContact O-N 2.79Å; F242-I244 HydrophobicContact CB-CG1 4.3Å; F242-I244 PolarHBondContact O-N 3.42Å
243H94.3Very high92.6Very high103 Ų10357.3 Ų57.348%0.47730%0.298SS..  trans-90.889.8174.1-69.4-169.9000109.3K143 N144K143-H243 PolarHBondContact N-O 3.29Å; N144-H243 HydrophobicContact CB-CB 4.08Å; N144-H243 PolarHBondContact OD1-N 3.09Å
244I95.2Very high92.2Very high13 Ų1356.4 Ų56.47%0.06729%0.287CS..BIsolated β-bridgetrans-83.1133.9-178.5-57.2178.1000110F140 Y141 I142 F159 F238 F242 W246F140-I244 HydrophobicContact CD1-CD1 4.14Å; F140-I244 HydrophobicContact CD1-CG2 4.29Å; Y141-I244 CarbonylContact O-C 3.6Å; Y141-I244 WeakPolarHBondContact O-CA 3.35Å; I142-I244 HydrophobicContact CG1-CG1 4.4Å; F159-I244 HydrophobicContact CE2-CD1 4.3Å; F238-I244 HydrophobicContact CB-CD1 3.65Å; F238-I244 HydrophobicContact CB-CG1 4.28Å; F238-I244 HydrophobicContact CD1-CD1 3.54Å; F238-I244 HydrophobicContact CD2-CD1 3.96Å; F238-I244 HydrophobicContact CE1-CD1 4.12Å; F238-I244 HydrophobicContact CE2-CD1 4.48Å; F238-I244 HydrophobicContact CG-CD1 3.44Å; F238-I244 VanDerWaalsContact CG-CD1 3.44Å; F242-I244 HydrophobicContact CB-CG1 4.3Å; F242-I244 PolarHBondContact O-N 3.42Å; I244-W246 HydrophobicContact CB-CZ2 4.35Å; I244-W246 HydrophobicContact CD1-CZ2 4.19Å; I244-W246 HydrophobicContact CG2-CD2 4.17Å; I244-W246 HydrophobicContact CG2-CZ2 4.33Å; I244-W246 PolarHBondContact O-N 2.83Å
245D94.1Very high91.5Very high22 Ų2262 Ų6212%0.11832%0.316CS..  trans-89.395.3168-163.5-15.5000110.5Y141 K143 C247 K248Y141-D245 HydrophobicContact CD1-CB 3.55Å; Y141-D245 HydrophobicContact CE1-CB 4.38Å; Y141-D245 HydrophobicContact CG-CB 4.39Å; Y141-D245 PolarHBondContact O-N 3.17Å; K143-D245 HydrophobicContact CD-CB 4.33Å; K143-D245 WeakPolarHBondContact CE-OD2 3.42Å; K143-D245 HydrophobicContact CG-CB 4.45Å; K143-D245 IonicContact NZ-OD1 2.83Å; K143-D245 IonicContact NZ-OD2 3.32Å; K143-D245 PolarHBondContact NZ-OD2 2.89Å; D245-C247 PolarHBondContact O-N 3.45Å; D245-C247 VanDerWaalsContact O-N 3.16Å; D245-C247 WeakPolarHBondContact OD1-CB 3.1Å; D245-C247 PolarHBondContact OD1-N 2.97Å; D245-K248 HydrophobicContact CB-CB 4.44Å; D245-K248 PolarHBondContact O-N 3.4Å
246W93.9Very high90.6Very high10 Ų1068.9 Ų68.94%0.03835%0.345CS..G310 helixtrans-64-16.8179.3-63.2100000113.7L212 V215 P230 I232 D235 F238 I244 K248 I249L212-W246 HydrophobicContact CD2-CH2 4.48Å; L212-W246 HydrophobicContact CD2-CZ3 4.08Å; V215-W246 HydrophobicContact CG2-CE3 3.86Å; V215-W246 HydrophobicContact CG2-CZ3 4.46Å; P230-W246 HydrophobicContact CG-CB 3.55Å; P230-W246 HydrophobicContact CG-CG 4.47Å; I232-W246 HydrophobicContact CB-CD2 4.28Å; I232-W246 HydrophobicContact CB-CG 4.44Å; I232-W246 HydrophobicContact CG1-CB 4.01Å; I232-W246 HydrophobicContact CG1-CD2 3.99Å; I232-W246 HydrophobicContact CG1-CE3 4.32Å; I232-W246 HydrophobicContact CG1-CG 3.84Å; I232-W246 HydrophobicContact CG2-CD2 4.04Å; I232-W246 HydrophobicContact CG2-CE3 4.03Å; I232-W246 HydrophobicContact CG2-CH2 4.21Å; I232-W246 HydrophobicContact CG2-CZ2 4.23Å; I232-W246 HydrophobicContact CG2-CZ3 4.11Å; D235-W246 HydrophobicContact CB-CZ2 4.23Å; D235-W246 PolarHBondContact OD1-NE1 3.47Å; F238-W246 AromaticContact CD2-CH2 4Å; F238-W246 HydrophobicContact CD2-CH2 4Å; F238-W246 AromaticContact CD2-CZ2 3.78Å; F238-W246 HydrophobicContact CD2-CZ2 3.78Å; F238-W246 AromaticContact CE2-CH2 3.83Å; F238-W246 HydrophobicContact CE2-CH2 3.83Å; F238-W246 HydrophobicContact CE2-CZ2 4.11Å; I244-W246 HydrophobicContact CB-CZ2 4.35Å; I244-W246 HydrophobicContact CD1-CZ2 4.19Å; I244-W246 HydrophobicContact CG2-CD2 4.17Å; I244-W246 HydrophobicContact CG2-CZ2 4.33Å; I244-W246 PolarHBondContact O-N 2.83Å; W246-K248 VanDerWaalsContact C-N 3.27Å; W246-K248 PolarHBondContact O-N 2.74Å; W246-I249 HydrophobicContact CE3-CD1 3.9Å; W246-I249 HydrophobicContact CE3-CG2 4.49Å; W246-I249 HydrophobicContact CZ3-CD1 3.72Å; W246-I249 WeakPolarHBondContact O-CG2 3.35Å
247C93.4Very high89.4Confident53 Ų5364.4 Ų64.436%0.35833%0.333SS..G310 helixtrans-78-13.2174.7-63.80000113.4C224 D245C224-C247 WeakPolarHBondContact CA-SG 3.25Å; C224-C247 HydrophobicContact CB-CB 3.63Å; C224-C247 WeakPolarHBondContact CB-SG 3.38Å; C224-C247 WeakPolarHBondContact SG-CA 3.13Å; C224-C247 WeakPolarHBondContact SG-CB 3.3Å; C224-C247 CovalentContact SG-SG 2.04Å; C224-C247 PolarHBondContact SG-SG 3.24Å; D245-C247 PolarHBondContact O-N 3.45Å; D245-C247 VanDerWaalsContact O-N 3.16Å; D245-C247 WeakPolarHBondContact OD1-CB 3.1Å; D245-C247 PolarHBondContact OD1-N 2.97Å
248K92.9Very high87.3Confident103 Ų10363.7 Ų63.745%0.44834%0.339SS..G310 helixtrans-114.911.4-179.7-65.7-173.9-179.7-178.50113.4Y141 D245 W246Y141-K248 HydrophobicContact CD1-CB 4.38Å; Y141-K248 HydrophobicContact CD1-CD 3.68Å; Y141-K248 HydrophobicContact CE1-CD 4.11Å; Y141-K248 HydrophobicContact CG-CB 4.47Å; Y141-K248 HydrophobicContact CG-CD 4.27Å; D245-K248 HydrophobicContact CB-CB 4.44Å; D245-K248 PolarHBondContact O-N 3.4Å; W246-K248 VanDerWaalsContact C-N 3.27Å; W246-K248 PolarHBondContact O-N 2.74Å
249I93.2Very high85.1Confident18 Ų1867 Ų679%0.09236%0.36CS..  trans-77.1138.2175.6-166.6-179.4000109.8E139 F140 L212 V215 W246 L251E139-I249 VanDerWaalsContact O-CA 3.25Å; E139-I249 WeakPolarHBondContact O-CA 3.36Å; E139-I249 VanDerWaalsContact O-CG1 3.22Å; E139-I249 WeakPolarHBondContact O-CG1 3.42Å; F140-I249 HydrophobicContact CD1-CD1 3.71Å; F140-I249 HydrophobicContact CD1-CG1 4.21Å; F140-I249 HydrophobicContact CE1-CD1 3.56Å; F140-I249 HydrophobicContact CE1-CG1 4.44Å; F140-I249 HydrophobicContact CZ-CD1 4.32Å; L212-I249 HydrophobicContact CD2-CD1 4.29Å; V215-I249 HydrophobicContact CB-CG2 3.82Å; V215-I249 HydrophobicContact CG1-CG2 3.15Å; V215-I249 HydrophobicContact CG2-CD1 4.44Å; V215-I249 HydrophobicContact CG2-CG2 3.46Å; V215-I249 VanDerWaalsContact CG2-CG2 3.46Å; W246-I249 HydrophobicContact CE3-CD1 3.9Å; W246-I249 HydrophobicContact CE3-CG2 4.49Å; W246-I249 HydrophobicContact CZ3-CD1 3.72Å; W246-I249 WeakPolarHBondContact O-CG2 3.35Å; I249-L251 HydrophobicContact CD1-CD2 4.3Å; I249-L251 HydrophobicContact CG1-CD2 4.39Å
250S92.4Very high82.8Confident53 Ų5366.2 Ų66.237%0.37137%0.37SS..EExtended strand (participates in β ladder)trans-120.7128.3177.3-172.80000109.8A138 E139A138-S250 CarbonylContact C-O 3.57Å; A138-S250 WeakPolarHBondContact CA-O 3.45Å; E139-S250 PolarHBondContact N-O 2.84Å; E139-S250 PolarHBondContact O-N 2.84Å; E139-S250 VanDerWaalsContact O-N 3.13Å
251L93.8Very high80.5Confident25 Ų2571 Ų7113%0.13137%0.369CS..EExtended strand (participates in β ladder)trans-110.9120.3176.7-56.8-177000108.3A138 F208 L212 E216 I249A138-L251 HydrophobicContact CB-CD2 3.64Å; F208-L251 HydrophobicContact CD1-CB 4.45Å; F208-L251 HydrophobicContact CD1-CD1 4.41Å; F208-L251 HydrophobicContact CD1-CD2 3.87Å; F208-L251 HydrophobicContact CD1-CG 4.47Å; F208-L251 HydrophobicContact CD2-CB 4.13Å; F208-L251 HydrophobicContact CD2-CD1 4.29Å; F208-L251 HydrophobicContact CE1-CB 4.07Å; F208-L251 HydrophobicContact CE1-CD2 3.83Å; F208-L251 HydrophobicContact CE1-CG 4.43Å; F208-L251 HydrophobicContact CE2-CB 3.73Å; F208-L251 HydrophobicContact CG-CB 4.48Å; F208-L251 HydrophobicContact CG-CD1 4.15Å; F208-L251 HydrophobicContact CG-CD2 4.43Å; F208-L251 HydrophobicContact CZ-CB 3.71Å; F208-L251 HydrophobicContact CZ-CD2 4.36Å; L212-L251 HydrophobicContact CB-CD1 4.38Å; L212-L251 WeakPolarHBondContact O-CD1 3.39Å; E216-L251 HydrophobicContact CG-CD1 4.43Å; I249-L251 HydrophobicContact CD1-CD2 4.3Å; I249-L251 HydrophobicContact CG1-CD2 4.39Å
252V91.4Very high78Confident53 Ų5371.2 Ų71.232%0.32138%0.377SS..EExtended strand (participates in β ladder)trans-125.5122.6-175.8-177.10000109.9Q137 V257Q137-V252 PolarHBondContact N-O 3.13Å; Q137-V252 PolarHBondContact O-N 2.8Å; V252-V257 HydrophobicContact CG1-CG2 3.84Å
253D90.4Very high75.3Confident19 Ų1976.5 Ų76.510%0.10241%0.414CS..EExtended strand (participates in β ladder)trans-100.899.1169.9179.8-12.4000108Y136 N255 K256 V257Y136-D253 HydrophobicContact CD1-CB 4.06Å; Y136-D253 HydrophobicContact CE1-CB 4.07Å; Y136-D253 VanDerWaalsContact CE1-CG 3.45Å; Y136-D253 WeakPolarHBondContact CE1-OD2 3.38Å; D253-N255 PolarHBondContact O-N 2.81Å; D253-N255 VanDerWaalsContact O-N 3.13Å; D253-N255 PolarHBondContact OD1-N 3.08Å; D253-K256 HydrophobicContact CB-CB 4.34Å; D253-K256 HydrophobicContact CB-CD 4.38Å; D253-K256 HydrophobicContact CB-CG 4.48Å; D253-K256 PolarHBondContact O-N 2.87Å; D253-K256 WeakPolarHBondContact OD2-CD 3.46Å; D253-K256 WeakPolarHBondContact OD2-CE 3.45Å; D253-K256 WeakPolarHBondContact OD2-CG 3.49Å; D253-K256 IonicContact OD2-NZ 3.69Å; D253-K256 PolarHBondContact OD2-NZ 3.35Å; D253-V257 WeakPolarHBondContact O-CG2 3.12Å; D253-V257 PolarHBondContact O-N 2.82Å; D253-V257 VanDerWaalsContact O-N 3.12Å
254I83.6Confident72.8Confident55 Ų5581.7 Ų81.728%0.28243%0.43SS..THydrogen-bonded Turntrans-57.1-33.1-172.3-56.9170.6000111.3P133 L134 P135 Q137 K256 V257P133-I254 HydrophobicContact CB-CD1 4.2Å; L134-I254 WeakPolarHBondContact O-CD1 3.44Å; P135-I254 WeakPolarHBondContact O-CG1 3.48Å; P135-I254 PolarHBondContact O-N 2.9Å; Q137-I254 HydrophobicContact CG-CD1 4Å; Q137-I254 HydrophobicContact CG-CG1 4.37Å; I254-K256 VanDerWaalsContact C-N 3.28Å; I254-K256 PolarHBondContact O-N 2.92Å; I254-V257 PolarHBondContact O-N 2.84Å
255N79.8Confident70.2Confident124 Ų12486.5 Ų86.566%0.66346%0.462SS*.THydrogen-bonded Turntrans-70.6-25.4-178.5-64.9-30.4000112.8P135 D253P135-N255 WeakPolarHBondContact CB-ND2 3.39Å; D253-N255 PolarHBondContact O-N 2.81Å; D253-N255 VanDerWaalsContact O-N 3.13Å; D253-N255 PolarHBondContact OD1-N 3.08Å
256K74.1Confident68Low162 Ų16292.2 Ų92.270%0.70449%0.492SS*.THydrogen-bonded Turntrans-95-19.6178.2-69.3-177.8-171138.50113.2D253 I254 V258D253-K256 HydrophobicContact CB-CB 4.34Å; D253-K256 HydrophobicContact CB-CD 4.38Å; D253-K256 HydrophobicContact CB-CG 4.48Å; D253-K256 PolarHBondContact O-N 2.87Å; D253-K256 WeakPolarHBondContact OD2-CD 3.46Å; D253-K256 WeakPolarHBondContact OD2-CE 3.45Å; D253-K256 WeakPolarHBondContact OD2-CG 3.49Å; D253-K256 IonicContact OD2-NZ 3.69Å; D253-K256 PolarHBondContact OD2-NZ 3.35Å; I254-K256 VanDerWaalsContact C-N 3.28Å; I254-K256 PolarHBondContact O-N 2.92Å; K256-V258 VanDerWaalsContact C-N 3.25Å; K256-V258 PolarHBondContact O-N 3.41Å
257V64.8Low66.2Low84 Ų8497.5 Ų97.551%0.50953%0.528SS..  trans-70.492.8168.4-175.90000106.4V252 D253 I254 P259V252-V257 HydrophobicContact CG1-CG2 3.84Å; D253-V257 WeakPolarHBondContact O-CG2 3.12Å; D253-V257 PolarHBondContact O-N 2.82Å; D253-V257 VanDerWaalsContact O-N 3.12Å; I254-V257 PolarHBondContact O-N 2.84Å; V257-P259 WeakPolarHBondContact O-CD 3.08Å; V257-P259 VanDerWaalsContact O-N 3.14Å
258V47.3Very low64.4Low111 Ų11197.9 Ų97.967%0.67354%0.541SS*.  trans-49.5124.8156.3178.50000104.5K256 V260K256-V258 VanDerWaalsContact C-N 3.25Å; K256-V258 PolarHBondContact O-N 3.41Å; V258-V260 PolarHBondContact O-N 3.3Å
259P48.5Very low63.1Low72 Ų7297.8 Ų97.847%0.46855%0.549SS..  trans-62.491.6169.925.9-30.8000105V257 Y261V257-P259 WeakPolarHBondContact O-CD 3.08Å; V257-P259 VanDerWaalsContact O-N 3.14Å; P259-Y261 HydrophobicContact CB-CD1 4.49Å; P259-Y261 HydrophobicContact CB-CD2 4.37Å; P259-Y261 HydrophobicContact CB-CE1 4.21Å; P259-Y261 HydrophobicContact CB-CE2 4.08Å; P259-Y261 HydrophobicContact CG-CE2 3.89Å; P259-Y261 WeakPolarHBondContact O-CD2 3.26Å; P259-Y261 PolarHBondContact O-N 3.39Å
260V40.5Very low61.6Low116 Ų11699.5 Ų99.570%0.70357%0.571SS**  trans-62.295.3148.8-174.20000100.3V258 V262V258-V260 PolarHBondContact O-N 3.3Å; V260-V262 HydrophobicContact CB-CG2 4.32Å; V260-V262 HydrophobicContact CG1-CG2 3.7Å; V260-V262 PolarHBondContact O-N 3.45Å
261Y40.2Very low60.4Low195 Ų19598.7 Ų98.777%0.76556%0.562SS**  trans-58.273156.4-52.2-87.8000104.6P259 S263P259-Y261 HydrophobicContact CB-CD1 4.49Å; P259-Y261 HydrophobicContact CB-CD2 4.37Å; P259-Y261 HydrophobicContact CB-CE1 4.21Å; P259-Y261 HydrophobicContact CB-CE2 4.08Å; P259-Y261 HydrophobicContact CG-CE2 3.89Å; P259-Y261 WeakPolarHBondContact O-CD2 3.26Å; P259-Y261 PolarHBondContact O-N 3.39Å; Y261-S263 PolarHBondContact O-N 3.32Å
262V38.7Very low58.9Low100 Ų100102.2 Ų102.261%0.60658%0.581SS**  trans-57.5104.2148.3-178.5000099.6V260 R264V260-V262 HydrophobicContact CB-CG2 4.32Å; V260-V262 HydrophobicContact CG1-CG2 3.7Å; V260-V262 PolarHBondContact O-N 3.45Å; V262-R264 HydrophobicContact CG1-CG 4.22Å; V262-R264 PolarHBondContact O-N 2.84Å
263S39.9Very low57.8Low115 Ų115104.7 Ų104.780%0.80460%0.598SS**  trans-63.454.116922.80000108.4Y261 P265Y261-S263 PolarHBondContact O-N 3.32Å; S263-P265 WeakPolarHBondContact O-CD 3.37Å
264R41.2Very low56.6Low212 Ų212111.8 Ų111.880%0.863%0.631SS**  trans-59.9119.2144-91.1-175.4175-179.7-0.9103.2V262 D266V262-R264 HydrophobicContact CG1-CG 4.22Å; V262-R264 PolarHBondContact O-N 2.84Å; R264-D266 PolarHBondContact O-N 3.13Å
265P41Very low55.3Low114 Ų114118.2 Ų118.274%0.7466%0.657SS**  trans-46.8132.4164-19.129.6000106.2S263 P267S263-P265 WeakPolarHBondContact O-CD 3.37Å; P265-P267 VanDerWaalsContact O-N 3.08Å
266D47.8Very low54.6Low142 Ų142115.2 Ų115.276%0.75966%0.655SS**  trans-43.6127.3164.7-93.9-41.2000106.2R264 G268R264-D266 PolarHBondContact O-N 3.13Å; D266-G268 VanDerWaalsContact C-N 3.33Å; D266-G268 PolarHBondContact O-N 3.08Å
267P54.6Low54.1Low122 Ų122116.2 Ų116.279%0.79266%0.662SS**  trans-48.6113.3168.3-1928.9000104.4P265P265-P267 VanDerWaalsContact O-N 3.08Å
268G56Low54.1Low60 Ų60121.3 Ų121.362%0.61967%0.674SS**  trans-51.5163.7-179.200000108.4D266 G270D266-G268 VanDerWaalsContact C-N 3.33Å; D266-G268 PolarHBondContact O-N 3.08Å; G268-G270 PolarHBondContact O-N 3.15Å
269T65.5Low54.7Low101 Ų101122.9 Ų122.962%0.6268%0.678SS**  trans-47.7-14.6-175.751.60000115G75 I271G75-T269 PolarHBondContact N-O 2.79Å; T269-I271 PolarHBondContact O-N 3.45Å
270G61.7Low56Low55 Ų55122.5 Ų122.557%0.56768%0.676SS**SBendtrans76.43.6177.500000111.1G268G268-G270 PolarHBondContact O-N 3.15Å
271I66.9Low57.3Low35 Ų35121.8 Ų121.818%0.17967%0.674CS.*SBendtrans-103.1120.4-179-58.6161.4000106L67 F70 T269L67-I271 HydrophobicContact CD2-CD1 3.65Å; L67-I271 HydrophobicContact CD2-CG1 4.44Å; F70-I271 HydrophobicContact CB-CG2 3.95Å; F70-I271 HydrophobicContact CD1-CG2 3.32Å; F70-I271 HydrophobicContact CD2-CG2 4.43Å; F70-I271 HydrophobicContact CE1-CG2 3.89Å; F70-I271 HydrophobicContact CG-CG2 3.64Å; T269-I271 PolarHBondContact O-N 3.45Å
272L63.8Low58.4Low100 Ų100116.6 Ų116.652%0.52467%0.666SS.*PPolyproline II helixtrans-55.9122.7169-77.4150.2000109F70 P71 D72F70-L272 WeakPolarHBondContact CD1-O 3.38Å; F70-L272 WeakPolarHBondContact CE1-O 3.39Å; P71-L272 HydrophobicContact CG-CD1 4.24Å; D72-L272 PolarHBondContact OD2-N 2.87Å
273P66.9Low59.5Low104 Ų104121.4 Ų121.468%0.67568%0.682SS**PPolyproline II helixtrans-58.6147.5175.124.1-31.8000109.7F275P273-F275 PolarHBondContact O-N 3.44Å
274E65.2Low60.4Low169 Ų169120.3 Ų120.379%0.7967%0.674SS**SBendtrans-49.3117.1173.3-171.1171.2-171.100107.9F70 G276F70-E274 HydrophobicContact CE1-CB 4.46Å; E274-G276 PolarHBondContact O-N 2.97Å
275F57.4Low61.1Low189 Ų189117.2 Ų117.283%0.82967%0.673SS**  trans-41.3105.7-162.3-57.3-91.2000112.1P273P273-F275 PolarHBondContact O-N 3.44Å
276G63.8Low62.1Low61 Ų61119.9 Ų119.963%0.62967%0.672SS**  trans-67.9153158.600000108.9E274 Y278E274-G276 PolarHBondContact O-N 2.97Å; G276-Y278 PolarHBondContact O-N 3.47Å
277E65.2Low62.9Low184 Ų184117 Ų11786%0.8666%0.664SS**  trans-49117.4173.3-161.7167.7-155.300108.8N279E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 3Å
278Y64Low63.5Low191 Ų191115.1 Ų115.175%0.74965%0.651SS**  trans-60.7100.9179.8174.1-106.2000107.7G276 P280G276-Y278 PolarHBondContact O-N 3.47Å; Y278-P280 HydrophobicContact CD1-CB 4.38Å; Y278-P280 HydrophobicContact CD1-CG 4.22Å; Y278-P280 HydrophobicContact CE1-CB 3.62Å; Y278-P280 HydrophobicContact CE1-CG 3.81Å; Y278-P280 WeakPolarHBondContact O-CD 3.2Å
279N60.9Low64.1Low144 Ų144117.5 Ų117.577%0.7765%0.65SS**  trans-96.588.6172.3-113.4-21.9000106.3E277E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 3Å
280P74.3Confident64.6Low64 Ų64120.2 Ų120.242%0.41665%0.65SS.*PPolyproline II helixtrans-56.1146.8172.725.1-31.7000108.1Y278 S282Y278-P280 HydrophobicContact CD1-CB 4.38Å; Y278-P280 HydrophobicContact CD1-CG 4.22Å; Y278-P280 HydrophobicContact CE1-CB 3.62Å; Y278-P280 HydrophobicContact CE1-CG 3.81Å; Y278-P280 WeakPolarHBondContact O-CD 3.2Å; P280-S282 PolarHBondContact O-N 3.45Å; P280-S282 VanDerWaalsContact O-N 3.15Å
281P67.6Low65.5Low101 Ų101124.6 Ų124.666%0.65665%0.654SS**PPolyproline II helixtrans-48.4129.1163.6-19.629.8000107.7E283P281-E283 PolarHBondContact O-N 3.17Å
282S64.8Low66Low85 Ų85126.6 Ų126.659%0.59467%0.67SS**PPolyproline II helixtrans-47.4130.4178.7500000109.4P280 S284 L285P280-S282 PolarHBondContact O-N 3.45Å; P280-S282 VanDerWaalsContact O-N 3.15Å; S282-S284 PolarHBondContact O-N 3.09Å; S282-S284 PolarHBondContact OG-OG 3.3Å; S282-L285 PolarHBondContact O-N 3.4Å
283E60.3Low66.8Low202 Ų202126.4 Ų126.494%0.94467%0.67SS**SBendtrans-55.7-3.9-179.3-70.9-166.6159.500114.1P281 L285P281-E283 PolarHBondContact O-N 3.17Å; E283-L285 PolarHBondContact O-N 3.12Å; E283-L285 VanDerWaalsContact O-N 3.14Å
284S59.5Low67.6Low92 Ų92127.7 Ų127.764%0.64367%0.665SS**  trans-79.834.4172.271.10000114.2S282 K286S282-S284 PolarHBondContact O-N 3.09Å; S282-S284 PolarHBondContact OG-OG 3.3Å; S284-K286 VanDerWaalsContact C-N 3.3Å; S284-K286 PolarHBondContact O-N 2.87Å
285L56.3Low68.5Low147 Ų147123.7 Ų123.777%0.7765%0.649SS**  trans-64.999.4162.6-82.6167000106.8S282 E283 S287S282-L285 PolarHBondContact O-N 3.4Å; E283-L285 PolarHBondContact O-N 3.12Å; E283-L285 VanDerWaalsContact O-N 3.14Å; L285-S287 PolarHBondContact O-N 3.49Å
286K62.4Low70Confident169 Ų169118 Ų11874%0.73563%0.63SS**  trans-49.3113.3175.7-169.6176.3-177.7-172.70107.5S284 D289S284-K286 VanDerWaalsContact C-N 3.3Å; S284-K286 PolarHBondContact O-N 2.87Å; K286-D289 WeakPolarHBondContact CE-OD2 3.12Å; K286-D289 IonicContact NZ-OD2 2.78Å
287S63.9Low71.2Confident83 Ų83120 Ų12058%0.5863%0.63SS**  trans-49.8135175.651.10000108.5L285 D289L285-S287 PolarHBondContact O-N 3.49Å; S287-D289 PolarHBondContact O-N 3.44Å; S287-D289 VanDerWaalsContact O-N 3.1Å
288P66.1Low72.4Confident82 Ų82116.3 Ų116.353%0.53262%0.615SS.*  trans-56.2123.2176.4-1017.2000108.8Y290P288-Y290 VanDerWaalsContact C-N 3.29Å; P288-Y290 HydrophobicContact CB-CD2 4.16Å; P288-Y290 HydrophobicContact CB-CE1 4.18Å; P288-Y290 HydrophobicContact CB-CE2 3.58Å; P288-Y290 HydrophobicContact CG-CE2 3.72Å; P288-Y290 WeakPolarHBondContact O-CD2 3.37Å; P288-Y290 PolarHBondContact O-N 2.94Å
289D70.2Confident73.6Confident110 Ų110109.7 Ų109.759%0.58860%0.6SS**  trans-74.381.2-178.9-79.5-41.1000109.7K286 S287 F291K286-D289 WeakPolarHBondContact CE-OD2 3.12Å; K286-D289 IonicContact NZ-OD2 2.78Å; S287-D289 PolarHBondContact O-N 3.44Å; S287-D289 VanDerWaalsContact O-N 3.1Å; D289-F291 PolarHBondContact O-N 2.98Å; D289-F291 VanDerWaalsContact O-N 3.12Å
290Y75.4Confident75.1Confident157 Ų157107.8 Ų107.862%0.61659%0.589SS**THydrogen-bonded Turntrans-71.32.3178.9-64.5-71.8000114.5P288 S292 D293 F294P288-Y290 VanDerWaalsContact C-N 3.29Å; P288-Y290 HydrophobicContact CB-CD2 4.16Å; P288-Y290 HydrophobicContact CB-CE1 4.18Å; P288-Y290 HydrophobicContact CB-CE2 3.58Å; P288-Y290 HydrophobicContact CG-CE2 3.72Å; P288-Y290 WeakPolarHBondContact O-CD2 3.37Å; P288-Y290 PolarHBondContact O-N 2.94Å; Y290-S292 VanDerWaalsContact C-N 3.28Å; Y290-S292 PolarHBondContact O-N 3.35Å; Y290-D293 PolarHBondContact O-N 2.84Å; Y290-F294 PolarHBondContact O-N 3.39Å
291F79.9Confident76Confident148 Ų148108.3 Ų108.365%0.64959%0.592SS**Hα-helixtrans-61.3-37.2-177.9-174.1-104.5000112.3D289 L295D289-F291 PolarHBondContact O-N 2.98Å; D289-F291 VanDerWaalsContact O-N 3.12Å; F291-L295 HydrophobicContact CD1-CD1 3.89Å; F291-L295 HydrophobicContact CD1-CG 4.5Å; F291-L295 HydrophobicContact CE1-CD1 3.47Å; F291-L295 VanDerWaalsContact CE1-CD1 3.47Å; F291-L295 HydrophobicContact CE1-CG 4.18Å; F291-L295 HydrophobicContact CZ-CD1 4.05Å; F291-L295 HydrophobicContact CZ-CG 4.37Å; F291-L295 WeakPolarHBondContact O-CG 3.37Å; F291-L295 PolarHBondContact O-N 2.88Å
292S78.2Confident77Confident76 Ų76106.2 Ų106.253%0.53158%0.58SS.*Hα-helixtrans-65.7-45.1175.5-1770000111.7Y290 F294 L295 V296Y290-S292 VanDerWaalsContact C-N 3.28Å; Y290-S292 PolarHBondContact O-N 3.35Å; S292-F294 VanDerWaalsContact C-N 3.32Å; S292-F294 PolarHBondContact O-N 2.71Å; S292-L295 PolarHBondContact O-N 3.08Å; S292-V296 WeakPolarHBondContact O-CG2 3.38Å; S292-V296 PolarHBondContact O-N 3.04Å
293D81.3Confident78.3Confident97 Ų97104.7 Ų104.752%0.51957%0.572SS.*Hα-helixtrans-66.5-36.3-179.6-67.4-15.5000111.7Y290 V296 T297Y290-D293 PolarHBondContact O-N 2.84Å; D293-V296 PolarHBondContact O-N 3.5Å; D293-T297 WeakPolarHBondContact O-CB 3.37Å; D293-T297 PolarHBondContact O-N 3.06Å; D293-T297 PolarHBondContact O-OG1 2.88Å
294F82.3Confident80Confident131 Ų13198.9 Ų98.958%0.57555%0.551SS**Hα-helixtrans-63.2-46172.3179.1-100.6000112Y290 S292 V296 T297 L298Y290-F294 PolarHBondContact O-N 3.39Å; S292-F294 VanDerWaalsContact C-N 3.32Å; S292-F294 PolarHBondContact O-N 2.71Å; F294-V296 PolarHBondContact O-N 2.9Å; F294-T297 PolarHBondContact O-N 3.37Å; F294-L298 PolarHBondContact O-N 3.38Å; F294-L298 VanDerWaalsContact O-N 3.09Å
295L85.5Confident81.5Confident84 Ų8497.1 Ų97.144%0.4454%0.541SS..Hα-helixtrans-61.2-43.3177.2-80.1175.3000111.9F291 S292 L298 A299F291-L295 HydrophobicContact CD1-CD1 3.89Å; F291-L295 HydrophobicContact CD1-CG 4.5Å; F291-L295 HydrophobicContact CE1-CD1 3.47Å; F291-L295 VanDerWaalsContact CE1-CD1 3.47Å; F291-L295 HydrophobicContact CE1-CG 4.18Å; F291-L295 HydrophobicContact CZ-CD1 4.05Å; F291-L295 HydrophobicContact CZ-CG 4.37Å; F291-L295 WeakPolarHBondContact O-CG 3.37Å; F291-L295 PolarHBondContact O-N 2.88Å; S292-L295 PolarHBondContact O-N 3.08Å; L295-L298 PolarHBondContact O-N 3.04Å; L295-A299 WeakPolarHBondContact O-CB 3.36Å; L295-A299 PolarHBondContact O-N 2.89Å
296V88.1Confident83.3Confident71 Ų7195.1 Ų95.143%0.4353%0.531SS..Hα-helixtrans-65.2-42.8178.5173.40000111.1S292 D293 F294 L298 A299 I300S292-V296 WeakPolarHBondContact O-CG2 3.38Å; S292-V296 PolarHBondContact O-N 3.04Å; D293-V296 PolarHBondContact O-N 3.5Å; F294-V296 PolarHBondContact O-N 2.9Å; V296-L298 VanDerWaalsContact C-N 3.26Å; V296-L298 PolarHBondContact O-N 3.33Å; V296-A299 PolarHBondContact O-N 3.1Å; V296-I300 HydrophobicContact CG1-CD1 3.55Å; V296-I300 HydrophobicContact CG1-CG1 4.31Å; V296-I300 WeakPolarHBondContact O-CG1 3.29Å; V296-I300 PolarHBondContact O-N 3.22Å
297T89.2Confident84.9Confident103 Ų10391 Ų9163%0.63252%0.52SS*.Hα-helixtrans-64.1-29.8179.5-54.80000112.4D293 F294 P301D293-T297 WeakPolarHBondContact O-CB 3.37Å; D293-T297 PolarHBondContact O-N 3.06Å; D293-T297 PolarHBondContact O-OG1 2.88Å; F294-T297 PolarHBondContact O-N 3.37Å; T297-P301 WeakPolarHBondContact O-CD 3.41Å; T297-P301 WeakPolarHBondContact O-CG 3.1Å
298L90.1Very high86.2Confident106 Ų10691.7 Ų91.756%0.55552%0.517SS*.Hα-helixtrans-90.6-38.6177.6-168.2115.8000113.1F294 L295 V296 S302F294-L298 PolarHBondContact O-N 3.38Å; F294-L298 VanDerWaalsContact O-N 3.09Å; L295-L298 PolarHBondContact O-N 3.04Å; V296-L298 VanDerWaalsContact C-N 3.26Å; V296-L298 PolarHBondContact O-N 3.33Å; L298-S302 WeakPolarHBondContact O-CB 3.38Å; L298-S302 PolarHBondContact O-N 3.27Å; L298-S302 PolarHBondContact O-OG 2.94Å
299A89.3Confident87.4Confident51 Ų5195.4 Ų95.442%0.42153%0.525SS..Hα-helixtrans-69.2-39.8-175.800000112.3L295 V296 S302 A303L295-A299 WeakPolarHBondContact O-CB 3.36Å; L295-A299 PolarHBondContact O-N 2.89Å; V296-A299 PolarHBondContact O-N 3.1Å; A299-S302 WeakPolarHBondContact CA-OG 3.49Å; A299-S302 PolarHBondContact O-OG 3.42Å; A299-A303 WeakPolarHBondContact O-CB 3.48Å; A299-A303 PolarHBondContact O-N 3.26Å
300I91.9Very high88.4Confident104 Ų10497.5 Ų97.553%0.53353%0.529SS..Hα-helixtrans-65.9-52.6-177.6-65172.3000111.5V296 S302 A303 V304V296-I300 HydrophobicContact CG1-CD1 3.55Å; V296-I300 HydrophobicContact CG1-CG1 4.31Å; V296-I300 WeakPolarHBondContact O-CG1 3.29Å; V296-I300 PolarHBondContact O-N 3.22Å; I300-S302 VanDerWaalsContact C-N 3.32Å; I300-S302 PolarHBondContact O-N 3.3Å; I300-A303 PolarHBondContact O-N 3.13Å; I300-V304 WeakPolarHBondContact O-CG2 3.34Å; I300-V304 PolarHBondContact O-N 3.28Å; I300-V304 VanDerWaalsContact O-N 3.09Å
301P92.7Very high89Confident75 Ų7594.3 Ų94.349%0.48752%0.522SS..Hα-helixtrans-64.2-35.7179.4-23.235.9000113T297 V304 A305T297-P301 WeakPolarHBondContact O-CD 3.41Å; T297-P301 WeakPolarHBondContact O-CG 3.1Å; P301-V304 PolarHBondContact O-N 3.03Å; P301-A305 WeakPolarHBondContact O-CB 3.28Å; P301-A305 PolarHBondContact O-N 2.81Å
302S90.1Very high89.3Confident57 Ų5792.1 Ų92.140%0.39952%0.516SS..Hα-helixtrans-67.9-40.4178.157.50000112.2L298 A299 I300 A305 L306L298-S302 WeakPolarHBondContact O-CB 3.38Å; L298-S302 PolarHBondContact O-N 3.27Å; L298-S302 PolarHBondContact O-OG 2.94Å; A299-S302 WeakPolarHBondContact CA-OG 3.49Å; A299-S302 PolarHBondContact O-OG 3.42Å; I300-S302 VanDerWaalsContact C-N 3.32Å; I300-S302 PolarHBondContact O-N 3.3Å; S302-A305 PolarHBondContact O-N 3.34Å; S302-L306 WeakPolarHBondContact O-CG 3.41Å; S302-L306 PolarHBondContact O-N 2.89Å
303A92.4Very high89.6Confident53 Ų5389.8 Ų89.844%0.43850%0.504SS..Hα-helixtrans-61.7-44.3173.100000111.9A299 I300 A305 L306 V307A299-A303 WeakPolarHBondContact O-CB 3.48Å; A299-A303 PolarHBondContact O-N 3.26Å; I300-A303 PolarHBondContact O-N 3.13Å; A303-A305 PolarHBondContact O-N 3.19Å; A303-L306 PolarHBondContact O-N 2.93Å; A303-V307 WeakPolarHBondContact O-CG2 3.24Å; A303-V307 PolarHBondContact O-N 2.96Å; A303-V307 VanDerWaalsContact O-N 3.07Å
304V94.1Very high89.7Confident81 Ų8192.2 Ų92.249%0.49151%0.507SS..Hα-helixtrans-61.9-44.91761740000111I300 P301 L306 V307 L308I300-V304 WeakPolarHBondContact O-CG2 3.34Å; I300-V304 PolarHBondContact O-N 3.28Å; I300-V304 VanDerWaalsContact O-N 3.09Å; P301-V304 PolarHBondContact O-N 3.03Å; V304-L306 VanDerWaalsContact C-N 3.34Å; V304-L306 PolarHBondContact O-N 2.83Å; V304-V307 PolarHBondContact O-N 3.08Å; V304-L308 HydrophobicContact CG1-CD1 4.24Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 2.81Å
305A92.9Very high89.6Confident54 Ų5488.8 Ų88.845%0.44650%0.497SS..Hα-helixtrans-60.7-41.8177.400000112.2P301 S302 A303 L308 F309P301-A305 WeakPolarHBondContact O-CB 3.28Å; P301-A305 PolarHBondContact O-N 2.81Å; S302-A305 PolarHBondContact O-N 3.34Å; A303-A305 PolarHBondContact O-N 3.19Å; A305-L308 PolarHBondContact O-N 2.84Å; A305-F309 WeakPolarHBondContact O-CB 3.36Å; A305-F309 PolarHBondContact O-N 3.4Å
306L93.8Very high89.2Confident105 Ų10590 Ų9055%0.5550%0.502SS..Hα-helixtrans-61.7-45.4175.9-77.9174.5000112S302 A303 V304 L308 F309 F310S302-L306 WeakPolarHBondContact O-CG 3.41Å; S302-L306 PolarHBondContact O-N 2.89Å; A303-L306 PolarHBondContact O-N 2.93Å; V304-L306 VanDerWaalsContact C-N 3.34Å; V304-L306 PolarHBondContact O-N 2.83Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.49Å; L306-F309 WeakPolarHBondContact O-CA 3.42Å; L306-F309 WeakPolarHBondContact O-CB 3.37Å; L306-F309 PolarHBondContact O-N 2.71Å; L306-F309 VanDerWaalsContact O-N 3.09Å; L306-F310 WeakPolarHBondContact O-CD2 3.1Å; L306-F310 PolarHBondContact O-N 2.79Å
307V94.6Very high88.3Confident84 Ų8491.3 Ų91.351%0.50951%0.513SS..Hα-helixtrans-59.7-45.6176.9172.50000110.8A303 V304 F309 F310 I311A303-V307 WeakPolarHBondContact O-CG2 3.24Å; A303-V307 PolarHBondContact O-N 2.96Å; A303-V307 VanDerWaalsContact O-N 3.07Å; V304-V307 PolarHBondContact O-N 3.08Å; V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 PolarHBondContact O-N 2.92Å; V307-F310 PolarHBondContact O-N 3.29Å; V307-I311 HydrophobicContact CG1-CD1 3.91Å; V307-I311 WeakPolarHBondContact O-CG1 3.31Å; V307-I311 PolarHBondContact O-N 3.44Å
308L91.9Very high87.1Confident97 Ų9789.9 Ų89.951%0.50851%0.506SS..Hα-helixtrans-60.5-38.4175.1-69.3174.7000111.7V304 A305 L306 I311 L312V304-L308 HydrophobicContact CG1-CD1 4.24Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 2.81Å; A305-L308 PolarHBondContact O-N 2.84Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.49Å; L308-I311 PolarHBondContact O-N 3.22Å; L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 VanDerWaalsContact O-CG 3.31Å; L308-L312 WeakPolarHBondContact O-CG 3.34Å; L308-L312 PolarHBondContact O-N 3.38Å
309F92Very high85.8Confident160 Ų16093.9 Ų93.970%0.70251%0.514SS*.Hα-helixtrans-64.3-41.8177-145.8-86.6000112.1A305 L306 V307 L312 G313A305-F309 WeakPolarHBondContact O-CB 3.36Å; A305-F309 PolarHBondContact O-N 3.4Å; L306-F309 WeakPolarHBondContact O-CA 3.42Å; L306-F309 WeakPolarHBondContact O-CB 3.37Å; L306-F309 PolarHBondContact O-N 2.71Å; L306-F309 VanDerWaalsContact O-N 3.09Å; V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 PolarHBondContact O-N 2.92Å; F309-L312 PolarHBondContact O-N 3.47Å; F309-G313 PolarHBondContact O-N 3.06Å
310F90.3Very high84.4Confident153 Ų15399.8 Ų99.867%0.67153%0.525SS*.Hα-helixtrans-64.7-40.9174.3-76.9-68.5000112.3L306 V307 G313 Y314L306-F310 WeakPolarHBondContact O-CD2 3.1Å; L306-F310 PolarHBondContact O-N 2.79Å; V307-F310 PolarHBondContact O-N 3.29Å; F310-G313 PolarHBondContact O-N 2.9Å; F310-Y314 WeakPolarHBondContact O-CB 3.09Å; F310-Y314 PolarHBondContact O-N 3.34Å
311I88.4Confident82.8Confident91 Ų91102.3 Ų102.347%0.46754%0.535SS..Hα-helixtrans-63.8-45.5176.1-66.6167.6000110.6V307 L308 Y314 T315V307-I311 HydrophobicContact CG1-CD1 3.91Å; V307-I311 WeakPolarHBondContact O-CG1 3.31Å; V307-I311 PolarHBondContact O-N 3.44Å; L308-I311 PolarHBondContact O-N 3.22Å; I311-Y314 PolarHBondContact O-N 2.71Å; I311-T315 WeakPolarHBondContact O-CG2 3.5Å; I311-T315 PolarHBondContact O-N 3.14Å; I311-T315 PolarHBondContact O-OG1 2.96Å
312L85.6Confident81.2Confident101 Ų101100 Ų10053%0.52953%0.525SS..Hα-helixtrans-63.9-42.6176.4-73.4174.2000111.4L308 F309 T315 M316L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 VanDerWaalsContact O-CG 3.31Å; L308-L312 WeakPolarHBondContact O-CG 3.34Å; L308-L312 PolarHBondContact O-N 3.38Å; F309-L312 PolarHBondContact O-N 3.47Å; L312-T315 WeakPolarHBondContact CA-OG1 3.45Å; L312-T315 PolarHBondContact O-N 2.96Å; L312-T315 PolarHBondContact O-OG1 3.46Å; L312-M316 VanDerWaalsContact O-CB 3.24Å; L312-M316 WeakPolarHBondContact O-CB 3.33Å; L312-M316 WeakPolarHBondContact O-CG 3.37Å; L312-M316 PolarHBondContact O-N 3.24Å
313G85.9Confident79.9Confident28 Ų28100.6 Ų100.629%0.28953%0.526SS..Hα-helixtrans-58.8-47.8173.600000112F309 F310 T315 M316 C317F309-G313 PolarHBondContact O-N 3.06Å; F310-G313 PolarHBondContact O-N 2.9Å; G313-T315 PolarHBondContact O-N 3.49Å; G313-M316 PolarHBondContact O-N 2.84Å; G313-C317 WeakPolarHBondContact O-CB 3.27Å; G313-C317 PolarHBondContact O-N 2.65Å
314Y82.8Confident78.5Confident148 Ų148105.7 Ų105.758%0.5854%0.541SS*.Iπ-helixtrans-61.9-43.9177.9178.7-101.9000112.4F310 I311 C318 R319F310-Y314 WeakPolarHBondContact O-CB 3.09Å; F310-Y314 PolarHBondContact O-N 3.34Å; I311-Y314 PolarHBondContact O-N 2.71Å; Y314-C318 HydrophobicContact CD2-CB 3.89Å; Y314-C318 HydrophobicContact CE2-CB 3.89Å; Y314-C318 WeakPolarHBondContact O-CA 3.29Å; Y314-C318 VanDerWaalsContact O-CB 3.24Å; Y314-C318 WeakPolarHBondContact O-CB 3.44Å; Y314-C318 PolarHBondContact O-N 3.23Å; Y314-R319 PolarHBondContact O-N 3.08Å
315T79.7Confident77Confident58 Ų58109 Ų10936%0.35655%0.548SS..Iπ-helixtrans-69.2-39.5178.7540000112.5I311 L312 G313 R319I311-T315 WeakPolarHBondContact O-CG2 3.5Å; I311-T315 PolarHBondContact O-N 3.14Å; I311-T315 PolarHBondContact O-OG1 2.96Å; L312-T315 WeakPolarHBondContact CA-OG1 3.45Å; L312-T315 PolarHBondContact O-N 2.96Å; L312-T315 PolarHBondContact O-OG1 3.46Å; G313-T315 PolarHBondContact O-N 3.49Å; T315-R319 WeakPolarHBondContact O-CB 3.4Å; T315-R319 PolarHBondContact O-N 2.94Å
316M77.4Confident75.6Confident110 Ų110114 Ų11454%0.54256%0.556SS.*Iπ-helixtrans-80.5-32.1-178.8-72.8-72.1-176.300114.2L312 G313 R320L312-M316 VanDerWaalsContact O-CB 3.24Å; L312-M316 WeakPolarHBondContact O-CB 3.33Å; L312-M316 WeakPolarHBondContact O-CG 3.37Å; L312-M316 PolarHBondContact O-N 3.24Å; G313-M316 PolarHBondContact O-N 2.84Å; M316-R320 WeakPolarHBondContact O-CB 3.26Å; M316-R320 WeakPolarHBondContact O-CD 3.34Å
317C69.1Low74.1Confident98 Ų98112.7 Ų112.766%0.66255%0.549SS*.Iπ-helixtrans-95.3-44-179.1-66.50000112G313G313-C317 WeakPolarHBondContact O-CB 3.27Å; G313-C317 PolarHBondContact O-N 2.65Å
318C64.7Low72.7Confident73 Ų73116.3 Ų116.349%0.49356%0.562SS.*Iπ-helixtrans-93.7-20.2-173.2-54.80000114.3Y314Y314-C318 HydrophobicContact CD2-CB 3.89Å; Y314-C318 HydrophobicContact CE2-CB 3.89Å; Y314-C318 WeakPolarHBondContact O-CA 3.29Å; Y314-C318 VanDerWaalsContact O-CB 3.24Å; Y314-C318 WeakPolarHBondContact O-CB 3.44Å; Y314-C318 PolarHBondContact O-N 3.23Å
319R61.4Low71.5Confident191 Ų191119 Ų11972%0.72157%0.572SS**SBendtrans-103.7-0.1175-63.4-169.272.5158.42.8114.5Y314 T315 E321 G322Y314-R319 PolarHBondContact O-N 3.08Å; T315-R319 WeakPolarHBondContact O-CB 3.4Å; T315-R319 PolarHBondContact O-N 2.94Å; R319-E321 VanDerWaalsContact C-N 3.27Å; R319-E321 PolarHBondContact O-N 3.4Å; R319-G322 PolarHBondContact O-N 2.83Å
320R61.2Low70.3Confident174 Ų174113.6 Ų113.666%0.65755%0.553SS**THydrogen-bonded Turntrans-80.9-4.1179.2-167.8168.7-176.9157.2-0.2114.2M316 G322M316-R320 WeakPolarHBondContact O-CB 3.26Å; M316-R320 WeakPolarHBondContact O-CD 3.34Å; R320-G322 PolarHBondContact O-N 2.92Å
321E57.3Low69.3Low158 Ų158110 Ų11074%0.73855%0.545SS*.THydrogen-bonded Turntrans-68-8.5165.3-65.4-179.116900113.2R319 V323 E324R319-E321 VanDerWaalsContact C-N 3.27Å; R319-E321 PolarHBondContact O-N 3.4Å; E321-V323 PolarHBondContact O-N 3.21Å; E321-E324 PolarHBondContact O-N 2.86Å
322G59.4Low68.4Low27 Ų27109.3 Ų109.328%0.27855%0.553SS.*Hα-helixtrans-71.1-3.6174.800000115.2R319 R320 R326R319-G322 PolarHBondContact O-N 2.83Å; R320-G322 PolarHBondContact O-N 2.92Å; G322-R326 WeakPolarHBondContact O-CB 3.36Å; G322-R326 WeakPolarHBondContact O-CG 3.38Å; G322-R326 PolarHBondContact O-N 2.78Å; G322-R326 PolarHBondContact O-NE 3.47Å
323V62.9Low67.7Low68 Ų68111.2 Ų111.241%0.41256%0.562SS.*Hα-helixtrans-74-44.1172.9177.20000110.4E321 R326 N327E321-V323 PolarHBondContact O-N 3.21Å; V323-R326 PolarHBondContact O-N 3.05Å; V323-N327 WeakPolarHBondContact O-CB 3.37Å; V323-N327 VanDerWaalsContact O-CG 3.26Å; V323-N327 PolarHBondContact O-N 3.43Å
324E63Low66.9Low161 Ų161114.8 Ų114.875%0.75257%0.571SS**Hα-helixtrans-69.6-40.4-177.4-160.6146.4-16900111.5E321 R326 N327 M328E321-E324 PolarHBondContact O-N 2.86Å; E324-R326 VanDerWaalsContact C-N 3.32Å; E324-R326 PolarHBondContact O-N 3.34Å; E324-N327 PolarHBondContact O-N 3.4Å; E324-M328 PolarHBondContact O-N 3.33Å
325K63.6Low66.5Low151 Ų151110.6 Ų110.666%0.65756%0.558SS**Hα-helixtrans-64.2-33.8173.7-148.6173.5-172.3175.90113Q329K325-Q329 PolarHBondContact O-N 3.17Å
326R62.3Low66.4Low159 Ų159112.4 Ų112.460%0.657%0.569SS**Hα-helixtrans-74.6-39.1174.2-78.6-175.8-69.4173-1112.4G322 V323 E324 M328 Q329 T330G322-R326 WeakPolarHBondContact O-CB 3.36Å; G322-R326 WeakPolarHBondContact O-CG 3.38Å; G322-R326 PolarHBondContact O-N 2.78Å; G322-R326 PolarHBondContact O-NE 3.47Å; V323-R326 PolarHBondContact O-N 3.05Å; E324-R326 VanDerWaalsContact C-N 3.32Å; E324-R326 PolarHBondContact O-N 3.34Å; R326-M328 VanDerWaalsContact C-N 3.33Å; R326-M328 PolarHBondContact O-N 2.71Å; R326-Q329 PolarHBondContact O-N 3.31Å; R326-T330 PolarHBondContact O-N 2.9Å; R326-T330 PolarHBondContact O-OG1 2.95Å
327N62.7Low66.3Low77 Ų77112.9 Ų112.941%0.41257%0.57SS.*Hα-helixtrans-65.6-36.4176.1-71.4-10.8000111.7V323 E324 Q329 T330 L335V323-N327 WeakPolarHBondContact O-CB 3.37Å; V323-N327 VanDerWaalsContact O-CG 3.26Å; V323-N327 PolarHBondContact O-N 3.43Å; E324-N327 PolarHBondContact O-N 3.4Å; N327-Q329 VanDerWaalsContact C-N 3.3Å; N327-Q329 PolarHBondContact O-N 3.45Å; N327-T330 PolarHBondContact O-N 2.9Å; N327-L335 HydrophobicContact CB-CD2 4.44Å; N327-L335 WeakPolarHBondContact O-CD1 2.89Å
328M64.4Low66.5Low159 Ų159113.8 Ų113.878%0.78356%0.564SS**Hα-helixtrans-66.9-29.2175.3-162.4-176.979.800113.3E324 R326E324-M328 PolarHBondContact O-N 3.33Å; R326-M328 VanDerWaalsContact C-N 3.33Å; R326-M328 PolarHBondContact O-N 2.71Å
329Q67Low67.2Low153 Ų153113.4 Ų113.472%0.71556%0.562SS**Hα-helixtrans-90.3-3.9179.4-76.3179.8-31.900114.1K325 R326 N327K325-Q329 PolarHBondContact O-N 3.17Å; R326-Q329 PolarHBondContact O-N 3.31Å; N327-Q329 VanDerWaalsContact C-N 3.3Å; N327-Q329 PolarHBondContact O-N 3.45Å
330T67.4Low68.1Low48 Ų48106.9 Ų106.929%0.29455%0.549SS..SBendtrans-98.6129.1-178.8-50.80000109.9R326 N327 Q334 L335R326-T330 PolarHBondContact O-N 2.9Å; R326-T330 PolarHBondContact O-OG1 2.95Å; N327-T330 PolarHBondContact O-N 2.9Å; T330-Q334 HydrophobicContact CG2-CB 4.04Å; T330-L335 HydrophobicContact CG2-CG 4.34Å
331P69.4Low68.9Low78 Ų78102.3 Ų102.351%0.50654%0.537SS..  trans-62.3138.8179.823.9-32.2000111.4I333 Q334 L335P331-I333 PolarHBondContact O-N 3.03Å; P331-Q334 HydrophobicContact CG-CG 4.5Å; P331-Q334 PolarHBondContact O-N 3.48Å; P331-L335 PolarHBondContact O-N 2.9Å
332A69.1Low70.1Confident76 Ų76101.7 Ų101.763%0.62853%0.534SS*.Hα-helixtrans-53.4-31.7-16900000114.4Q334 L335 V336A332-Q334 PolarHBondContact O-N 3.43Å; A332-L335 PolarHBondContact O-N 3.36Å; A332-V336 WeakPolarHBondContact O-CG2 3.3Å; A332-V336 PolarHBondContact O-N 2.92Å
333I70.4Confident71.2Confident141 Ų141107.7 Ų107.772%0.72355%0.553SS**Hα-helixtrans-63.5-37.7178.8-16276.9000112.7P331 H337P331-I333 PolarHBondContact O-N 3.03Å; I333-H337 PolarHBondContact O-N 3.48Å
334Q69.2Low72.1Confident103 Ų103107 Ų10748%0.48155%0.55SS.*Hα-helixtrans-76.5-35178.4-75.7-177.7-25.800111.2T330 P331 A332 V336 H337 H338T330-Q334 HydrophobicContact CG2-CB 4.04Å; P331-Q334 HydrophobicContact CG-CG 4.5Å; P331-Q334 PolarHBondContact O-N 3.48Å; A332-Q334 PolarHBondContact O-N 3.43Å; Q334-V336 PolarHBondContact O-N 2.94Å; Q334-H337 PolarHBondContact O-N 2.96Å; Q334-H338 PolarHBondContact O-CD2 2.75Å; Q334-H338 PolarHBondContact O-N 2.99Å
335L75.3Confident73Confident59 Ų59102.3 Ų102.331%0.30953%0.533SS..Hα-helixtrans-62.1-41.1173.4-92.9161.2000112.5N327 T330 P331 A332 H338 S339N327-L335 HydrophobicContact CB-CD2 4.44Å; N327-L335 WeakPolarHBondContact O-CD1 2.89Å; T330-L335 HydrophobicContact CG2-CG 4.34Å; P331-L335 PolarHBondContact O-N 2.9Å; A332-L335 PolarHBondContact O-N 3.36Å; L335-H338 PolarHBondContact O-N 3.37Å; L335-S339 WeakPolarHBondContact O-CB 3.3Å; L335-S339 PolarHBondContact O-N 3.3Å; L335-S339 PolarHBondContact O-OG 3.35Å
336V76.8Confident73.9Confident97 Ų97103 Ų10359%0.58854%0.536SS*.Hα-helixtrans-65.2-41.8175.41760000110.9A332 Q334 S339 A340A332-V336 WeakPolarHBondContact O-CG2 3.3Å; A332-V336 PolarHBondContact O-N 2.92Å; Q334-V336 PolarHBondContact O-N 2.94Å; V336-S339 WeakPolarHBondContact CA-OG 3.33Å; V336-S339 PolarHBondContact O-N 2.83Å; V336-S339 PolarHBondContact O-OG 2.81Å; V336-A340 VanDerWaalsContact O-CB 3.31Å; V336-A340 WeakPolarHBondContact O-CB 3.47Å; V336-A340 PolarHBondContact O-N 3.38Å
337H75.1Confident74.8Confident119 Ų119101.5 Ų101.555%0.55154%0.536SS*.Hα-helixtrans-63.9-44.2176.8-171.5-99.3000112.5I333 Q334 A340 I341I333-H337 PolarHBondContact O-N 3.48Å; Q334-H337 PolarHBondContact O-N 2.96Å; H337-A340 PolarHBondContact O-N 2.85Å; H337-I341 WeakPolarHBondContact CE1-CD1 3.44Å; H337-I341 WeakPolarHBondContact O-CG1 3.31Å; H337-I341 PolarHBondContact O-N 3.47Å
338H74.8Confident75.5Confident117 Ų117103 Ų10354%0.54254%0.543SS..Hα-helixtrans-69.2-38.1178.1-76.8-67.8000112.9Q334 L335 I341 Q342Q334-H338 PolarHBondContact O-CD2 2.75Å; Q334-H338 PolarHBondContact O-N 2.99Å; L335-H338 PolarHBondContact O-N 3.37Å; H338-I341 PolarHBondContact O-N 3.43Å; H338-Q342 WeakPolarHBondContact O-CB 3.35Å; H338-Q342 PolarHBondContact O-N 3.21Å
339S78.4Confident76.2Confident65 Ų65104.1 Ų104.146%0.45554%0.539SS..Hα-helixtrans-67.8-36.1174.959.20000112.4L335 V336 Q342 K343L335-S339 WeakPolarHBondContact O-CB 3.3Å; L335-S339 PolarHBondContact O-N 3.3Å; L335-S339 PolarHBondContact O-OG 3.35Å; V336-S339 WeakPolarHBondContact CA-OG 3.33Å; V336-S339 PolarHBondContact O-N 2.83Å; V336-S339 PolarHBondContact O-OG 2.81Å; S339-Q342 PolarHBondContact O-N 3.13Å; S339-K343 WeakPolarHBondContact O-CB 3.36Å; S339-K343 PolarHBondContact O-N 2.67Å
340A81.2Confident76.6Confident55 Ų5598.6 Ų98.646%0.45552%0.523SS..Hα-helixtrans-64.5-45.5173.300000111.9V336 H337 Q342 K343 S344V336-A340 VanDerWaalsContact O-CB 3.31Å; V336-A340 WeakPolarHBondContact O-CB 3.47Å; V336-A340 PolarHBondContact O-N 3.38Å; H337-A340 PolarHBondContact O-N 2.85Å; A340-Q342 VanDerWaalsContact C-N 3.34Å; A340-Q342 PolarHBondContact O-N 2.92Å; A340-K343 PolarHBondContact O-N 2.93Å; A340-S344 PolarHBondContact O-N 3.22Å; A340-S344 PolarHBondContact O-OG 2.89Å
341I78.4Confident76.7Confident78 Ų78101.8 Ų101.840%0.454%0.536SS..Hα-helixtrans-62.8-40.4174.9-69.3171.9000111.2H337 H338 S344 T345H337-I341 WeakPolarHBondContact CE1-CD1 3.44Å; H337-I341 WeakPolarHBondContact O-CG1 3.31Å; H337-I341 PolarHBondContact O-N 3.47Å; H338-I341 PolarHBondContact O-N 3.43Å; I341-S344 WeakPolarHBondContact CA-OG 3.36Å; I341-S344 PolarHBondContact O-N 3.49Å; I341-S344 PolarHBondContact O-OG 2.96Å; I341-T345 VanDerWaalsContact O-CB 3.29Å; I341-T345 WeakPolarHBondContact O-CB 3.29Å; I341-T345 PolarHBondContact O-N 3.3Å; I341-T345 PolarHBondContact O-OG1 3.49Å
342Q80.9Confident76.7Confident144 Ų144101.4 Ų101.467%0.67354%0.535SS*.Hα-helixtrans-68.1-37.7178.9-165178.55.600111.5H338 S339 A340 K346H338-Q342 WeakPolarHBondContact O-CB 3.35Å; H338-Q342 PolarHBondContact O-N 3.21Å; S339-Q342 PolarHBondContact O-N 3.13Å; A340-Q342 VanDerWaalsContact C-N 3.34Å; A340-Q342 PolarHBondContact O-N 2.92Å; Q342-K346 VanDerWaalsContact O-CB 3.3Å; Q342-K346 WeakPolarHBondContact O-CB 3.48Å; Q342-K346 PolarHBondContact O-N 2.93Å
343K83Confident76.6Confident154 Ų154105.3 Ų105.367%0.6754%0.538SS*.Hα-helixtrans-64.2-48.9174.6-171.1179.7178.7-175.90111.1S339 A340 T345 K346 E347S339-K343 WeakPolarHBondContact O-CB 3.36Å; S339-K343 PolarHBondContact O-N 2.67Å; A340-K343 PolarHBondContact O-N 2.93Å; K343-T345 PolarHBondContact O-N 3.35Å; K343-K346 PolarHBondContact O-N 2.95Å; K343-E347 WeakPolarHBondContact O-CB 3.39Å; K343-E347 PolarHBondContact O-N 2.82Å
344S82Confident76.2Confident52 Ų52105.5 Ų105.536%0.36454%0.54SS..Hα-helixtrans-64-38.7177.864.40000112.3A340 I341 K346 E347 L348A340-S344 PolarHBondContact O-N 3.22Å; A340-S344 PolarHBondContact O-OG 2.89Å; I341-S344 WeakPolarHBondContact CA-OG 3.36Å; I341-S344 PolarHBondContact O-N 3.49Å; I341-S344 PolarHBondContact O-OG 2.96Å; S344-K346 PolarHBondContact O-N 3.03Å; S344-E347 PolarHBondContact O-N 3.11Å; S344-L348 WeakPolarHBondContact O-CB 3.28Å; S344-L348 WeakPolarHBondContact O-CG 3.35Å; S344-L348 PolarHBondContact O-N 3.45Å
345T81.4Confident75.7Confident64 Ų64110.1 Ų110.139%0.39355%0.553SS.*Hα-helixtrans-66.1-37.6175.6-52.60000111.8I341 K343 R349I341-T345 VanDerWaalsContact O-CB 3.29Å; I341-T345 WeakPolarHBondContact O-CB 3.29Å; I341-T345 PolarHBondContact O-N 3.3Å; I341-T345 PolarHBondContact O-OG1 3.49Å; K343-T345 PolarHBondContact O-N 3.35Å; T345-R349 WeakPolarHBondContact O-CB 3.41Å; T345-R349 PolarHBondContact O-N 2.87Å
346K82.4Confident75Confident166 Ų166115.3 Ų115.372%0.72258%0.576SS**Hα-helixtrans-70.4-36.1177-164.5177.3-177-177.60111.5Q342 K343 S344 G350Q342-K346 VanDerWaalsContact O-CB 3.3Å; Q342-K346 WeakPolarHBondContact O-CB 3.48Å; Q342-K346 PolarHBondContact O-N 2.93Å; K343-K346 PolarHBondContact O-N 2.95Å; S344-K346 PolarHBondContact O-N 3.03Å; K346-G350 PolarHBondContact O-N 3.12Å
347E81.3Confident73.9Confident126 Ų126117.7 Ų117.759%0.58958%0.584SS**Hα-helixtrans-67.5-46.4173.9-166.1173.3-174.300111.5K343 S344 R349 G350 M351K343-E347 WeakPolarHBondContact O-CB 3.39Å; K343-E347 PolarHBondContact O-N 2.82Å; S344-E347 PolarHBondContact O-N 3.11Å; E347-R349 PolarHBondContact O-N 3.06Å; E347-G350 WeakPolarHBondContact O-CA 3.33Å; E347-G350 PolarHBondContact O-N 3.47Å; E347-M351 WeakPolarHBondContact O-CG 3.44Å; E347-M351 PolarHBondContact O-N 3.31Å
348L78.1Confident72.8Confident109 Ų109116.9 Ų116.957%0.57159%0.592SS**Hα-helixtrans-59.8-41.8173-74.8165.8000112.4S344 G350 M351 S352S344-L348 WeakPolarHBondContact O-CB 3.28Å; S344-L348 WeakPolarHBondContact O-CG 3.35Å; S344-L348 PolarHBondContact O-N 3.45Å; L348-G350 VanDerWaalsContact C-N 3.34Å; L348-M351 HydrophobicContact CD2-CE 3.65Å; L348-M351 HydrophobicContact CG-CE 4.37Å; L348-M351 PolarHBondContact O-N 3.46Å; L348-S352 PolarHBondContact O-N 3.39Å
349R77.8Confident71.6Confident183 Ų183122.2 Ų122.269%0.69161%0.607SS**Hα-helixtrans-67.5-32.3172.4-86.1-176.2174.1175-1.1112.9T345 E347 S352 K353T345-R349 WeakPolarHBondContact O-CB 3.41Å; T345-R349 PolarHBondContact O-N 2.87Å; E347-R349 PolarHBondContact O-N 3.06Å; R349-S352 PolarHBondContact O-N 2.94Å; R349-S352 PolarHBondContact O-OG 2.9Å; R349-S352 VanDerWaalsContact O-OG 3.06Å; R349-K353 WeakPolarHBondContact O-CB 3.47Å; R349-K353 PolarHBondContact O-N 3.36Å
350G76.7Confident70.4Confident36 Ų36122.6 Ų122.637%0.37161%0.608SS.*Hα-helixtrans-63.3-44.8171.800000111.5K346 E347 L348 K353 N354K346-G350 PolarHBondContact O-N 3.12Å; E347-G350 WeakPolarHBondContact O-CA 3.33Å; E347-G350 PolarHBondContact O-N 3.47Å; L348-G350 VanDerWaalsContact C-N 3.34Å; G350-K353 PolarHBondContact O-N 3.06Å; G350-N354 PolarHBondContact O-N 3.44Å
351M70.1Confident69.1Low116 Ų116127.1 Ų127.157%0.57162%0.624SS**Hα-helixtrans-66.8-35174.2-65-167.9-6300112.6E347 L348E347-M351 WeakPolarHBondContact O-CG 3.44Å; E347-M351 PolarHBondContact O-N 3.31Å; L348-M351 HydrophobicContact CD2-CE 3.65Å; L348-M351 HydrophobicContact CG-CE 4.37Å; L348-M351 PolarHBondContact O-N 3.46Å
352S69.1Low67.9Low70 Ų70128.3 Ų128.349%0.4964%0.639SS.*Hα-helixtrans-70.9-34.2176.183.90000112.7L348 R349 N354 R355L348-S352 PolarHBondContact O-N 3.39Å; R349-S352 PolarHBondContact O-N 2.94Å; R349-S352 PolarHBondContact O-OG 2.9Å; R349-S352 VanDerWaalsContact O-OG 3.06Å; S352-N354 VanDerWaalsContact C-N 3.28Å; S352-N354 PolarHBondContact O-N 3.41Å; S352-R355 VanDerWaalsContact O-CB 3.28Å; S352-R355 WeakPolarHBondContact O-CB 3.43Å; S352-R355 PolarHBondContact O-N 2.88Å; S352-R355 VanDerWaalsContact O-N 3.12Å
353K67.1Low66.7Low158 Ų158126.3 Ų126.369%0.68764%0.637SS**Hα-helixtrans-71.3-24.9179-152.4178.5-175.4-172.10112.5R349 G350 R355R349-K353 WeakPolarHBondContact O-CB 3.47Å; R349-K353 PolarHBondContact O-N 3.36Å; G350-K353 PolarHBondContact O-N 3.06Å; K353-R355 PolarHBondContact O-N 2.87Å
354N61.8Low65.3Low145 Ų145124.8 Ų124.878%0.77564%0.635SS**THydrogen-bonded Turntrans-83.15.6170.9-71.2-9.1000113.4G350 S352G350-N354 PolarHBondContact O-N 3.44Å; S352-N354 VanDerWaalsContact C-N 3.28Å; S352-N354 PolarHBondContact O-N 3.41Å
355R59.1Low63.9Low199 Ų199127.7 Ų127.775%0.75165%0.653SS**THydrogen-bonded Turntrans-98.410.7179.2-142.3-178.7-173.7-155.51.8113.6S352 K353 I357S352-R355 VanDerWaalsContact O-CB 3.28Å; S352-R355 WeakPolarHBondContact O-CB 3.43Å; S352-R355 PolarHBondContact O-N 2.88Å; S352-R355 VanDerWaalsContact O-N 3.12Å; K353-R355 PolarHBondContact O-N 2.87Å; R355-I357 PolarHBondContact O-N 3.2Å
356E59.1Low62.7Low169 Ų169130 Ų13079%0.7967%0.667SS**  trans-85.943.2176.3-70.2-175.6173.800113
357I55.1Low61.2Low146 Ų146128.4 Ų128.475%0.74966%0.66SS**SBendtrans-130.7112.3162.8-59169.4000106.1R355R355-I357 PolarHBondContact O-N 3.2Å
358S51.3Low59.9Low103 Ų103127.2 Ų127.272%0.7266%0.658SS**  trans48117.9176.844.60000118.2
359W50Low58.9Low229 Ų229128 Ų12887%0.86767%0.669SS**  trans-54.3129161.4-80.282.3000109.1L361W359-L361 PolarHBondContact O-N 3.23Å
360P53.1Low57.9Low72 Ų72125.8 Ų125.847%0.46868%0.676SS.*  trans-65.1124.417625.5-31.7000109.3S362P360-S362 PolarHBondContact O-N 2.96Å
361L52.6Low57.2Low151 Ų151127.6 Ų127.679%0.79168%0.683SS**G310 helixtrans-56.4-6.1-179.6-70.4162.4000114.3W359 T363 L364W359-L361 PolarHBondContact O-N 3.23Å; L361-T363 VanDerWaalsContact C-N 3.29Å; L361-T363 PolarHBondContact O-N 3.4Å; L361-L364 HydrophobicContact CD2-CD1 4.21Å
362S54.8Low56.6Low103 Ų103125.1 Ų125.172%0.7269%0.687SS**G310 helixtrans-79.61.4-176.958.90000115.4P360P360-S362 PolarHBondContact O-N 2.96Å
363T55.1Low55.7Low102 Ų102128.9 Ų128.963%0.62670%0.697SS**G310 helixtrans-115.49.4176.556.20000114.1L361L361-T363 VanDerWaalsContact C-N 3.29Å; L361-T363 PolarHBondContact O-N 3.4Å
364L52.8Low54.9Low121 Ų121126 Ų12663%0.63469%0.693SS**SBendtrans-80.3130.6168.6-77.7166.5000110.3L361 V366L361-L364 HydrophobicContact CD2-CD1 4.21Å; L364-V366 PolarHBondContact O-N 3.36Å
365P52.6Low54.4Low113 Ų113124.9 Ų124.973%0.73469%0.691SS**  trans-66.6127.9178.325.6-31.3000110.7F367P365-F367 PolarHBondContact O-N 2.86Å
366V56.2Low53.8Low114 Ų114120 Ų12069%0.69169%0.685SS**SBendtrans-73.7-7.1-173.8175.40000113.5L364L364-V366 PolarHBondContact O-N 3.36Å
367F51.7Low53.2Low131 Ų131118.2 Ų118.258%0.57569%0.688SS**SBendtrans-136.1134.1-179-61-83.6000111.2P365 P369 V374P365-F367 PolarHBondContact O-N 2.86Å; F367-P369 WeakPolarHBondContact O-CD 3.46Å; F367-V374 HydrophobicContact CE1-CG2 3.96Å
368N54.7Low52.6Low101 Ų101119 Ų11954%0.5469%0.692SS.*  trans-83.8113.8170.1-168.3-13.2000108.7V370 S371 G372N368-V370 PolarHBondContact O-N 3.36Å; N368-S371 PolarHBondContact O-N 2.87Å; N368-G372 PolarHBondContact O-N 3.48Å
369P56.4Low51.8Low125 Ų125122.7 Ų122.781%0.81270%0.697SS**THydrogen-bonded Turntrans-68.3-1.8-165.325.3-34.7000115.8F367F367-P369 WeakPolarHBondContact O-CD 3.46Å
370V56.3Low51.6Low138 Ų138116 Ų11684%0.83668%0.684SS**THydrogen-bonded Turntrans-113.5-30.2-177-179.50000112.9N368N368-V370 PolarHBondContact O-N 3.36Å
371S61.8Low50.5Low73 Ų73120.2 Ų120.251%0.5170%0.702SS.*THydrogen-bonded Turntrans-104.8-12-177.1630000114.5N368 E373N368-S371 PolarHBondContact O-N 2.87Å; S371-E373 PolarHBondContact O-N 3.46Å
372G58.2Low49.5Very low65 Ų65118.2 Ų118.267%0.6769%0.692SS**  trans60.85172.800000115.9N368N368-G372 PolarHBondContact O-N 3.48Å
373E49.8Very low48.4Very low148 Ų148122.6 Ų122.669%0.69269%0.694SS**  trans-91.2130.4-174.5-155170.7-16600110.1S371 V375S371-E373 PolarHBondContact O-N 3.46Å; E373-V375 PolarHBondContact O-N 3.25Å
374V50.7Low47.2Very low98 Ų98125.1 Ų125.159%0.59470%0.699SS**  trans-80.8115.8178.8179.50000108.1F367 P376F367-V374 HydrophobicContact CE1-CG2 3.96Å; V374-P376 WeakPolarHBondContact O-CD 3.4Å
375V51.6Low46.1Very low121 Ų121124.9 Ų124.973%0.73370%0.703SS**PPolyproline II helixtrans-67.6123.7174.2-179.10000108.7E373E373-V375 PolarHBondContact O-N 3.25Å
376P46.7Very low45.4Very low97 Ų97125.6 Ų125.663%0.6371%0.705SS**PPolyproline II helixtrans-66.7145.9177.7-15.428.2000111.2V374 I378V374-P376 WeakPolarHBondContact O-CD 3.4Å; P376-I378 PolarHBondContact O-N 3.47Å
377P45.5Very low44.7Very low132 Ų132125.7 Ų125.786%0.85771%0.711SS**PPolyproline II helixtrans-67.9119.6179.627-32.4000110.6H379P377-H379 PolarHBondContact O-N 3.48Å
378I42.6Very low43.9Very low163 Ų163127.6 Ų127.684%0.83672%0.724SS**PPolyproline II helixtrans-77.7119.1170.5-59.9176.2000107.5P376P376-I378 PolarHBondContact O-N 3.47Å
379H35.7Very low43.2Very low179 Ų179128.5 Ų128.583%0.82974%0.735SS**PPolyproline II helixtrans-74.9146.8176.8-157.164.1000110.4P377P377-H379 PolarHBondContact O-N 3.48Å
380P44.1Very low42Very low90 Ų90130.9 Ų130.958%0.58474%0.74SS**PPolyproline II helixtrans-99143.8-150.536.5-29.4000112.2
381D31.8Very low41Very low159 Ų159132.2 Ų132.285%0.8574%0.739SS**  trans-119.7126.8153.2-78.7-38.1000108.9
382N29.8Very low39.7Very low110 Ų110136.6 Ų136.659%0.58875%0.751SS**  trans8999.7155.3-82.8-7.8000122.6
383Y32.4Very low38.4Very low194 Ų194140.6 Ų140.676%0.76176%0.763SS**  trans67.1149.8139.8-43-67.2000118.4
384E29.2Very low37.6Very low156 Ų156142 Ų14273%0.72977%0.77SS**  cis-162.1147.2-19.4-118.1-162.6-176.200104.2
385T31.5Very low36.6Very low115 Ų115141.1 Ų141.171%0.70677%0.773SS**  trans56.8117.9163.365.90000116.8
386T37.5Very low35.4Very low128 Ų128142.2 Ų142.279%0.78577%0.774SS**  -173.113077.54.50000109
387S41.8Very low34.7Very low116 Ų116143.3 Ų143.381%0.81178%0.775SS**  trans-62.3124.4167.648.40000111.5
388M33.6Very low34Very low172 Ų172144.7 Ų144.785%0.84777%0.77SS**  trans-134.9130.9155.2-93.6-173.4-141.800110.8
389P40.5Very low33.5Very low119 Ų119143.2 Ų143.277%0.77376%0.763SS**  trans-84141.7-174.633.5-31.8000111.8M391P389-M391 PolarHBondContact O-N 3.25Å
390L31.6Very low33.1Very low175 Ų175142.4 Ų142.492%0.91676%0.76SS**  trans-64.1123.2167.5-91.4149000110.1
391M34.4Very low32.4Very low166 Ų166146 Ų14682%0.81877%0.773SS**  trans-122.8111.3158-81.7-154.396.800111.6P389P389-M391 PolarHBondContact O-N 3.25Å
392Q35.3Very low32.2Very low165 Ų165143.7 Ų143.777%0.77176%0.764SS**  trans2118.4143.2-72.8164.7-17.500117.1
393T31.4Very low32.2Very low150 Ų150145.6 Ų145.692%0.9277%0.773SS**  trans-73.8117.1154.343.80000109.7
394Q32.3Very low32.2Very low177 Ų177142 Ų14283%0.82777%0.773SS**  trans-105.5118.9168.2-164.1166.7-18.900109.2
395A29.1Very low32.2Very low79 Ų79143 Ų14365%0.65378%0.778SS**  trans28.4140.4151.300000123.5
396N27.7Very low32Very low144 Ų144147 Ų14777%0.7779%0.789SS**  trans73.6143147.2-82.5-42.7000117
397L31.9Very low31.6Very low121 Ų121151.6 Ų151.663%0.63479%0.792SS**  cis-167141.320.5-118.4150.5000109.9
398Q28.9Very low31.6Very low161 Ų161151.3 Ų151.375%0.75279%0.787SS**  trans67.3142.1135.1-96.8170.32.300126.3
399N32Very low31.3Very low132 Ų132149.1 Ų149.171%0.70679%0.789SS**  trans9193.8158.4-60.6-14.2000116.9
400Q27.5Very low30.8Very low162 Ų162146.6 Ų146.676%0.75778%0.784SS**  77.610560.4-166.4171.11.200113.6
401I30.4Very low30.8Very low166 Ų166145.2 Ų145.285%0.85178%0.778SS**  trans-142.2124.4149.3-54.6178.6000108.3
402T27.8Very low30.7Very low110 Ų110144.3 Ų144.368%0.67578%0.776SS**  trans-112.2139.7-178.2-43.70000109.2
403I29.3Very low30.4Very low150 Ų150147.4 Ų147.477%0.76978%0.783SS**  trans-146.6150.9164.8-36.3173.1000107.2
404P32.3Very low30.4Very low119 Ų119146.3 Ų146.377%0.77378%0.775SS**  -109.7165.3-98.729-7.4000115
405Q28.3Very low30.2Very low175 Ų175147 Ų14782%0.81878%0.781SS**  trans-79.7145.5172-86.5-170-19.400113.4
406Q29.1Very low30.3Very low201 Ų201147.9 Ų147.994%0.93978%0.782SS**  trans-124.2146.7151-88.2179.5-28.300109.3
407R29.3Very low30.5Very low223 Ų223147.1 Ų147.184%0.84278%0.783SS**  trans-135.5169.3-177.6-136.9-170.5-168.2171.43.8107.6
408P40.3Very low30.4Very low110 Ų110151.6 Ų151.671%0.71480%0.798SS**  -124.5164.8-8239.9-26000113.6
409S28.3Very low30.4Very low126 Ų126155.2 Ų155.288%0.88180%0.804SS**  trans-174.7123.2151.9-84.20000104.8
410G29.7Very low30.2Very low66 Ų66159.2 Ų159.268%0.6881%0.81SS**  118.8121.761.900000105.5
411D31.5Very low30.3Very low147 Ų147159.2 Ų159.279%0.78681%0.814SS**  trans8392.4167.7-54.6-21.2000120.3
412N32.6Very low30.2Very low147 Ų147159 Ų15979%0.78681%0.809SS**  27.9101.9127.3-66.8-15.7000119.4
413Y28Very low30.3Very low230 Ų230160 Ų16090%0.90282%0.815SS**  trans-127.7106.9144.6-72.2-84.5000109.4
414V31.5Very low30.3Very low127 Ų127160.3 Ų160.377%0.7782%0.818SS**  trans-83.2113.3169.6171.70000107.7
415M29Very low30.1Very low192 Ų192158 Ų15895%0.94682%0.815SS**  trans-81.6104.8161.7-164.6101.5105.700107
416S31.3Very low30.3Very low97 Ų97157.8 Ų157.868%0.67882%0.818SS**  trans-119.5110.5170.872.60000111.8
417T31.8Very low30.9Very low127 Ų127153.6 Ų153.678%0.77981%0.808SS**  trans-24.3145.2155.337.20000118
418F30.1Very low30.9Very low215 Ų215152.6 Ų152.694%0.94381%0.813SS**  trans-15120.4156.3-91.1-99.3000115.8
419R28.5Very low30.6Very low237 Ų237155.9 Ų155.989%0.89482%0.819SS**  trans-118.7123156.8-101.9-173.9179.2178.60.3111
420R28.2Very low30.7Very low217 Ų217160 Ų16082%0.81982%0.816SS**  trans-58.7130.3164.6-167.3179-165.8156.41.3109.5
421L30Very low30.8Very low162 Ų162165.6 Ų165.685%0.84882%0.821SS**  trans-117104.3166.2-83164.5000108.1
422E27.4Very low31Very low161 Ų161164.6 Ų164.675%0.75282%0.82SS**  trans-91129149.7-82.7173.1164.500106.8
423V29.3Very low31Very low131 Ų131162.2 Ų162.279%0.79482%0.82SS**  trans-137.3130.9155.3175.10000108.3
424N29.8Very low31.3Very low157 Ų157160.1 Ų160.184%0.8482%0.819SS**  trans-48.4151.9-177-64.5-35.4000115.9
425G28.9Very low31.4Very low69 Ų69158.6 Ų158.671%0.71182%0.82SS**  trans-87.7171.117100000114.9
426I32Very low31.6Very low171 Ų171157.6 Ų157.688%0.87782%0.817SS**  172.8148122.8-84.1164.9000107.8
427P40.9Very low31.8Very low113 Ų113161 Ų16173%0.73483%0.828SS**  trans-104.8162.7-159.437.1-25000113.9
428E30.6Very low32.2Very low202 Ų202166 Ų16694%0.94485%0.849SS**  trans-133.3117158.7-95-152.3149.300111.7
429E32.9Very low32.3Very low179 Ų179163.6 Ų163.684%0.83684%0.844SS**  trans-81.2135.4154.6-70.1-169.6144.400109.6
430R31.6Very low32.5Very low214 Ų214159.7 Ų159.781%0.80884%0.842SS**  158.3134.5123.7-101.6179.3171.4168.70.5113.5
431K30.1Very low32.7Very low183 Ų183156.6 Ų156.680%0.79684%0.843SS**  trans70.7132.4156.9-60.4175179.3-172.30113.6
432V35.6Very low32.9Very low126 Ų126156.2 Ų156.276%0.76484%0.843SS**  -153.3127.555169.50000109.6
433A32.8Very low33.2Very low96 Ų96155.9 Ų155.979%0.79385%0.848SS**  trans-85.3118.8153.500000107.4
434E34.3Very low33.5Very low186 Ų186157.6 Ų157.687%0.86985%0.852SS**  trans165.1105.8153.6-104.6-176.8151.100108
435A33.4Very low33.8Very low96 Ų96157.6 Ų157.679%0.79385%0.853SS**  trans165.878.814600000109.6
436L33.7Very low34.1Very low170 Ų170164.5 Ų164.589%0.8986%0.864SS**  trans-164.873.2150-103.9146.7000107.5
437N35.9Very low34.3Very low170 Ų170163.9 Ų163.991%0.90986%0.863SS**  trans-108.296.6148.1-109.8-24.6000105.5
438L40Very low33.7Very low232 Ų232168.5 Ų168.5100%1.21587%0.874SS**  trans-161.10142.4-104.8165.5000108.3

Retrieved 438 of 438 residues in 299 ms (Link to these results)