A0A3Q0KTZ5_SCHMA Loading...

Phospholipid scramblase

May mediate accelerated ATP-independent bidirectional transbilayer migration of phospholipids upon binding calcium ions that results in a loss of phospholipid asymmetry in the plasma membrane.

AlphaFold DB (A0A5K4EYA1), UniProt , Accession A0A3Q0KTZ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 216 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
1M37.9Very low41.9Very low244 Ų244165.7 Ų165.7100%1.20279%0.786SS**  0118.90-93.3180-96.800107.8K3M1-K3 PolarHBondContact O-N 2.95Å
2Q36.6Very low43.8Very low180 Ų180154.5 Ų154.584%0.84174%0.737SS**  trans-65124.6-171.6-77.5159.8-36.400110.9W4Q2-W4 PolarHBondContact O-N 2.64Å
3K35.7Very low46.2Very low197 Ų197143 Ų14386%0.85768%0.683SS**  trans-67.9105.7167.4-73.7177.5174.7-179.30107M1 F5M1-K3 PolarHBondContact O-N 2.95Å; K3-F5 PolarHBondContact O-N 2.79Å
4W37Very low48.5Very low231 Ų231138.6 Ų138.688%0.87566%0.661SS**  trans-63.7128.8164.2-73.286.4000107.5Q2 L6Q2-W4 PolarHBondContact O-N 2.64Å; W4-L6 PolarHBondContact O-N 3.26Å
5F41.4Very low50.3Low189 Ų189130.9 Ų130.983%0.82963%0.633SS**  trans-53.5128.1-173.6-75.4-108.9000109.4K3 S7K3-F5 PolarHBondContact O-N 2.79Å; F5-S7 PolarHBondContact O-N 3.4Å
6L36.7Very low52.4Low175 Ų175123.1 Ų123.192%0.91660%0.595SS**  trans-60.885.2144-68.5169000104.8W4 E8W4-L6 PolarHBondContact O-N 3.26Å; L6-E8 PolarHBondContact O-N 3.19Å
7S41.8Very low54.2Low99 Ų99120.8 Ų120.869%0.69258%0.583SS**  trans-40.1128.5162.3169.30000106.8F5 Y9F5-S7 PolarHBondContact O-N 3.4Å; S7-Y9 PolarHBondContact O-N 3.37Å
8E41.7Very low56.1Low176 Ų176118.5 Ų118.582%0.82257%0.567SS**  trans-35.5110.8-179.9-66.4174.616000109.8L6 V10L6-E8 PolarHBondContact O-N 3.19Å; E8-V10 VanDerWaalsContact C-N 3.26Å; E8-V10 PolarHBondContact O-N 3.23Å
9Y43.7Very low57.8Low127 Ų127112.3 Ų112.350%0.49854%0.537SS..  trans-68.590.4-179177.8-100000107.7S7 E11 L20S7-Y9 PolarHBondContact O-N 3.37Å; Y9-E11 HydrophobicContact CD1-CB 4.42Å; Y9-E11 HydrophobicContact CE1-CB 3.66Å; Y9-E11 HydrophobicContact CE1-CG 4.14Å; Y9-E11 PolarHBondContact O-N 2.98Å; Y9-L20 HydrophobicContact CD2-CD1 4.45Å; Y9-L20 HydrophobicContact CE2-CD1 3.5Å; Y9-L20 VanDerWaalsContact CE2-CD1 3.5Å
10V52.3Low59.4Low112 Ų112110.2 Ų110.268%0.67953%0.529SS*.  trans-76.6109.7159.7-179.50000104.5E8 P12E8-V10 VanDerWaalsContact C-N 3.26Å; E8-V10 PolarHBondContact O-N 3.23Å; V10-P12 WeakPolarHBondContact O-CD 3.36Å; V10-P12 WeakPolarHBondContact O-CG 3.44Å
11E56.5Low60.9Low93 Ų93111.4 Ų111.444%0.43553%0.534SS..  trans-59.1100.8171.4-172.6173.4-166.300107Y9 H17Y9-E11 HydrophobicContact CD1-CB 4.42Å; Y9-E11 HydrophobicContact CE1-CB 3.66Å; Y9-E11 HydrophobicContact CE1-CG 4.14Å; Y9-E11 PolarHBondContact O-N 2.98Å; E11-H17 IonicContact OE1-ND1 2.58Å
12P64.4Low63.7Low31 Ų31101.1 Ų101.120%0.20149%0.485CS..  trans-86.4-22.6-158.525.2-19.3000110.9V10 Y195V10-P12 WeakPolarHBondContact O-CD 3.36Å; V10-P12 WeakPolarHBondContact O-CG 3.44Å; P12-Y195 HydrophobicContact CB-CE2 4.3Å; P12-Y195 WeakPolarHBondContact CB-OH 3.38Å; P12-Y195 HydrophobicContact CG-CD1 4.4Å; P12-Y195 HydrophobicContact CG-CD2 4.27Å; P12-Y195 HydrophobicContact CG-CE1 3.53Å; P12-Y195 HydrophobicContact CG-CE2 3.4Å; P12-Y195 VanDerWaalsContact CG-CE2 3.4Å; P12-Y195 WeakPolarHBondContact CG-OH 3.49Å
13I75.2Confident66.5Low5 Ų596.2 Ų96.23%0.02647%0.465CS..SBendtrans-142.2116.8178.4-53.8162000108.3G15 L16 V87 A112 Y195 L199I13-G15 PolarHBondContact O-N 2.98Å; I13-L16 HydrophobicContact CB-CD1 3.74Å; I13-L16 HydrophobicContact CB-CG 4.24Å; I13-L16 HydrophobicContact CD1-CD1 3.99Å; I13-L16 HydrophobicContact CG2-CD1 3.41Å; I13-L16 VanDerWaalsContact CG2-CD1 3.41Å; I13-L16 HydrophobicContact CG2-CG 3.92Å; I13-L16 PolarHBondContact O-N 3.19Å; I13-V87 HydrophobicContact CG2-CB 3.67Å; I13-V87 HydrophobicContact CG2-CG1 3.97Å; I13-V87 HydrophobicContact CG2-CG2 4.37Å; I13-A112 HydrophobicContact CD1-CB 3.5Å; I13-A112 VanDerWaalsContact CD1-CB 3.5Å; I13-A112 HydrophobicContact CG1-CB 4.19Å; I13-Y195 HydrophobicContact CD1-CE2 4.24Å; I13-L199 HydrophobicContact CD1-CD1 3.49Å; I13-L199 VanDerWaalsContact CD1-CD1 3.49Å
14E78Confident69.5Low81 Ų8189.6 Ų89.638%0.37943%0.434SS..THydrogen-bonded Turntrans-55126-175.5-173.1-169.414700112.7N81 N83 K85E14-N81 PolarHBondContact O-ND2 3.02Å; E14-N83 PolarHBondContact OE1-ND2 3.47Å; E14-K85 VanDerWaalsContact OE2-CD 3.3Å; E14-K85 WeakPolarHBondContact OE2-CD 3.38Å; E14-K85 IonicContact OE2-NZ 3.66Å; E14-K85 PolarHBondContact OE2-NZ 3.23Å
15G75.4Confident72.3Confident23 Ų2378.6 Ų78.624%0.23739%0.393CS..THydrogen-bonded Turntrans85.97173.900000114.7I13I13-G15 PolarHBondContact O-N 2.98Å
16L83.6Confident75Confident7 Ų771.2 Ų71.24%0.03736%0.361CS..  trans-101.66.5179.8-61.5-171.2000114.7I13 R18 L19 L54 L55 L199I13-L16 HydrophobicContact CB-CD1 3.74Å; I13-L16 HydrophobicContact CB-CG 4.24Å; I13-L16 HydrophobicContact CD1-CD1 3.99Å; I13-L16 HydrophobicContact CG2-CD1 3.41Å; I13-L16 VanDerWaalsContact CG2-CD1 3.41Å; I13-L16 HydrophobicContact CG2-CG 3.92Å; I13-L16 PolarHBondContact O-N 3.19Å; L16-R18 PolarHBondContact O-N 2.85Å; L16-R18 VanDerWaalsContact O-N 3.11Å; L16-L19 HydrophobicContact CB-CD1 4.41Å; L16-L19 WeakPolarHBondContact O-CB 3.47Å; L16-L19 PolarHBondContact O-N 2.84Å; L16-L54 HydrophobicContact CD2-CD1 3.77Å; L16-L54 HydrophobicContact CD2-CG 3.93Å; L16-L55 HydrophobicContact CD1-CD1 4.32Å; L16-L55 HydrophobicContact CD1-CD2 4.37Å; L16-L55 HydrophobicContact CD2-CD1 4.19Å; L16-L55 HydrophobicContact CD2-CD2 3.76Å; L16-L55 HydrophobicContact CD2-CG 3.86Å; L16-L199 HydrophobicContact CD1-CD1 3.87Å; L16-L199 HydrophobicContact CD1-CD2 3.9Å; L16-L199 HydrophobicContact CD1-CG 4.48Å
17H84Confident77.8Confident84 Ų8462.9 Ų62.939%0.38932%0.318SS..G310 helixtrans-54.1-31.2175.859.8-91000113.2E11 L19 L20E11-H17 IonicContact OE1-ND1 2.58Å; H17-L19 PolarHBondContact O-N 2.78Å; H17-L19 VanDerWaalsContact O-N 3.13Å; H17-L20 VanDerWaalsContact O-CB 3.27Å; H17-L20 WeakPolarHBondContact O-CB 3.35Å; H17-L20 WeakPolarHBondContact O-CG 3.31Å; H17-L20 PolarHBondContact O-N 2.79Å
18R87.4Confident80.2Confident79 Ų7962.4 Ų62.430%0.29830%0.303SS..G310 helixtrans-59.3-24.6176.6-60-64.1-66.5-75.4-3.3113L16 L20 E21 L48 E52 L54L16-R18 PolarHBondContact O-N 2.85Å; L16-R18 VanDerWaalsContact O-N 3.11Å; R18-L20 PolarHBondContact O-N 2.86Å; R18-E21 IonicContact NE-OE2 3.95Å; R18-E21 PolarHBondContact O-N 3.19Å; R18-L48 HydrophobicContact CB-CD1 4.12Å; R18-L48 HydrophobicContact CG-CD1 4.49Å; R18-E52 IonicContact CZ-OE2 2.78Å; R18-E52 IonicContact NH1-OE2 3.55Å; R18-E52 PolarHBondContact NH1-OE2 3.04Å; R18-E52 IonicContact NH2-OE1 3.5Å; R18-E52 IonicContact NH2-OE2 3.96Å; R18-E52 PolarHBondContact NH2-OE2 3.28Å; R18-L54 HydrophobicContact CB-CD1 4.45Å
19L89.2Confident82.5Confident0 Ų054.8 Ų54.80%027%0.268CS..G310 helixtrans-65.1-22.8174.3-78.8176.3000113.4L16 H17 E21 V22 V25 L54 K198 L199 I202L16-L19 HydrophobicContact CB-CD1 4.41Å; L16-L19 WeakPolarHBondContact O-CB 3.47Å; L16-L19 PolarHBondContact O-N 2.84Å; H17-L19 PolarHBondContact O-N 2.78Å; H17-L19 VanDerWaalsContact O-N 3.13Å; L19-E21 PolarHBondContact O-N 3.34Å; L19-V22 HydrophobicContact CD2-CG2 4.26Å; L19-V25 HydrophobicContact CD2-CG2 3.76Å; L19-L54 HydrophobicContact CD1-CD2 3.99Å; L19-L54 HydrophobicContact CD2-CD2 3.45Å; L19-L54 VanDerWaalsContact CD2-CD2 3.45Å; L19-L54 HydrophobicContact CG-CD1 4.37Å; L19-L54 HydrophobicContact CG-CD2 3.62Å; L19-K198 VanDerWaalsContact O-CD 3.29Å; L19-K198 WeakPolarHBondContact O-CD 3.42Å; L19-K198 PolarHBondContact O-NZ 2.96Å; L19-L199 HydrophobicContact CD1-CD1 4.42Å; L19-L199 HydrophobicContact CD1-CD2 3.49Å; L19-L199 VanDerWaalsContact CD1-CD2 3.49Å; L19-L199 HydrophobicContact CD1-CG 3.69Å; L19-I202 HydrophobicContact CD1-CD1 4.42Å; L19-I202 HydrophobicContact CD2-CD1 3.93Å
20L89.9Confident84.6Confident70 Ų7051.2 Ų51.237%0.36626%0.257SS..G310 helixtrans-71.5-25177.6-57.3169.3000111.7Y9 H17 R18Y9-L20 HydrophobicContact CD2-CD1 4.45Å; Y9-L20 HydrophobicContact CE2-CD1 3.5Å; Y9-L20 VanDerWaalsContact CE2-CD1 3.5Å; H17-L20 VanDerWaalsContact O-CB 3.27Å; H17-L20 WeakPolarHBondContact O-CB 3.35Å; H17-L20 WeakPolarHBondContact O-CG 3.31Å; H17-L20 PolarHBondContact O-N 2.79Å; R18-L20 PolarHBondContact O-N 2.86Å
21E91.3Very high85.7Confident136 Ų13650.8 Ų50.864%0.63625%0.246SC*.SBendtrans-102-2.8-170.8-59.6179.1167.800113.4R18 L19 L191R18-E21 IonicContact NE-OE2 3.95Å; R18-E21 PolarHBondContact O-N 3.19Å; L19-E21 PolarHBondContact O-N 3.34Å; E21-L191 VanDerWaalsContact C-CD1 3.45Å
22V95Very high86.1Confident29 Ų2951 Ų5118%0.17625%0.245CC..  trans-117.9152.8-179.2-580000111.7L19 V25 L48 F189 K198L19-V22 HydrophobicContact CD2-CG2 4.26Å; V22-V25 HydrophobicContact CG2-CG2 4.44Å; V22-L48 HydrophobicContact CG1-CD2 4.21Å; V22-L48 HydrophobicContact CG2-CD2 4.22Å; V22-F189 WeakPolarHBondContact O-CE2 2.92Å; V22-K198 PolarHBondContact O-NZ 2.85Å
23D96.8Very high85.5Confident77 Ų7756.6 Ų56.641%0.41227%0.273SS..SBendtrans-109.83.7173.766.8-12.8000111.9F189 L191D23-F189 WeakPolarHBondContact CA-O 3.1Å; D23-F189 WeakPolarHBondContact CB-O 3.33Å; D23-F189 PolarHBondContact O-N 2.7Å; D23-F189 VanDerWaalsContact O-O 3.04Å; D23-L191 HydrophobicContact CB-CB 4.48Å
24R97.5Very high83.9Confident58 Ų5865 Ų6522%0.21931%0.313CS..EExtended strand (participates in β ladder)trans-149.2142.1-176.3-168.5179-48.4141.27.5113.6I26 D49 R186 V187 D188R24-I26 HydrophobicContact CG-CD1 4.36Å; R24-D49 WeakPolarHBondContact CD-OD1 3.34Å; R24-D49 WeakPolarHBondContact CD-OD2 3.38Å; R24-D49 IonicContact CZ-OD2 3.39Å; R24-D49 IonicContact NE-OD2 3.79Å; R24-D49 IonicContact NH1-OD1 3.53Å; R24-D49 IonicContact NH1-OD2 3.08Å; R24-D49 PolarHBondContact NH1-OD2 3.49Å; R24-R186 VanDerWaalsContact CD-CZ 3.44Å; R24-R186 HydrophobicContact CG-CG 4.24Å; R24-R186 VanDerWaalsContact NH1-NH1 3.18Å; R24-V187 VanDerWaalsContact CA-O 3.28Å; R24-V187 WeakPolarHBondContact CA-O 3.41Å; R24-D188 WeakPolarHBondContact CD-OD1 3.09Å; R24-D188 IonicContact CZ-OD1 3.1Å; R24-D188 IonicContact NE-OD1 2.83Å; R24-D188 PolarHBondContact NE-OD1 3.04Å; R24-D188 IonicContact NH2-OD1 2.71Å
25V97.5Very high82.1Confident0 Ų064.9 Ų64.90%033%0.333CS..EExtended strand (participates in β ladder)trans-134.2143.2167.1170.80000109.9L19 V22 V27 A46 L47 L54 V187 F189 I202L19-V25 HydrophobicContact CD2-CG2 3.76Å; V22-V25 HydrophobicContact CG2-CG2 4.44Å; V25-V27 HydrophobicContact CG1-CG2 4.29Å; V25-A46 HydrophobicContact CG1-CB 3.9Å; V25-L47 WeakPolarHBondContact CG1-O 3.4Å; V25-L54 HydrophobicContact CG2-CD2 4.42Å; V25-V187 PolarHBondContact N-O 3.27Å; V25-V187 PolarHBondContact O-N 3.32Å; V25-F189 HydrophobicContact CG2-CZ 4.17Å; V25-I202 HydrophobicContact CB-CD1 4.14Å; V25-I202 HydrophobicContact CB-CG1 4.16Å; V25-I202 HydrophobicContact CG1-CD1 3.96Å; V25-I202 HydrophobicContact CG1-CG1 3.99Å; V25-I202 HydrophobicContact CG2-CD1 3.92Å; V25-I202 HydrophobicContact CG2-CG1 4.46Å
26I96.6Very high80.7Confident33 Ų3366.4 Ų66.417%0.16934%0.34CS..EExtended strand (participates in β ladder)trans-105.5121.7172.9-53.4-58.1000108.9R24 K28 A46 L47 F185 R186R24-I26 HydrophobicContact CG-CD1 4.36Å; I26-K28 HydrophobicContact CG2-CG 4.01Å; I26-A46 CarbonylContact O-C 3.49Å; I26-A46 WeakPolarHBondContact O-CA 3.32Å; I26-L47 PolarHBondContact N-O 3.39Å; I26-L47 PolarHBondContact O-N 3.1Å; I26-F185 CarbonylContact C-O 3.51Å; I26-F185 WeakPolarHBondContact CA-O 3.29Å; I26-R186 HydrophobicContact CD1-CB 3.76Å; I26-R186 HydrophobicContact CD1-CG 3.79Å
27V95.8Very high79Confident0 Ų076.8 Ų76.80%039%0.385CS..EExtended strand (participates in β ladder)trans-103.4122.9173.9-176.20000108.8V25 Y44 E45 A46 F185 V187 I202 A205 I206V25-V27 HydrophobicContact CG1-CG2 4.29Å; V27-Y44 HydrophobicContact CG1-CD1 4.24Å; V27-E45 CarbonylContact C-O 3.56Å; V27-E45 WeakPolarHBondContact CA-O 3.22Å; V27-A46 HydrophobicContact CG2-CB 4.29Å; V27-F185 HydrophobicContact CB-CB 4.23Å; V27-F185 PolarHBondContact N-O 3.01Å; V27-F185 PolarHBondContact O-N 2.86Å; V27-V187 HydrophobicContact CG2-CG2 4.43Å; V27-I202 HydrophobicContact CG2-CG2 3.87Å; V27-A205 HydrophobicContact CB-CB 4.49Å; V27-A205 HydrophobicContact CG2-CB 4.29Å; V27-I206 HydrophobicContact CG1-CD1 4.38Å; V27-I206 HydrophobicContact CG1-CG1 3.85Å
28K92.9Very high77.5Confident90 Ų9075.9 Ų75.939%0.39138%0.382SS..EExtended strand (participates in β ladder)trans-118.4134.7178.9-63.1-174.1-179.3175.50110.4I26 Y44 E45 L47I26-K28 HydrophobicContact CG2-CG 4.01Å; K28-Y44 CarbonylContact O-C 3.56Å; K28-Y44 VanDerWaalsContact O-CA 3.23Å; K28-Y44 WeakPolarHBondContact O-CA 3.45Å; K28-E45 PolarHBondContact N-O 2.84Å; K28-E45 PolarHBondContact O-N 2.83Å; K28-L47 HydrophobicContact CD-CD1 3.87Å; K28-L47 HydrophobicContact CG-CD1 4.34Å
29Q89.4Confident75.8Confident16 Ų1677.3 Ų77.38%0.07539%0.392CS..EExtended strand (participates in β ladder)trans-77.5131.5165.3-164.7-172.48.400109.2Y44 D183Q29-Y44 HydrophobicContact CB-CD1 3.75Å; Q29-Y44 HydrophobicContact CB-CE1 3.57Å; Q29-Y44 HydrophobicContact CG-CD1 4.03Å; Q29-Y44 HydrophobicContact CG-CE1 3.64Å; Q29-D183 PolarHBondContact N-O 2.86Å
30I87.2Confident74.4Confident52 Ų5280.4 Ų80.427%0.26741%0.409SS..  trans-96.5101.9179.3-52.2-60.6000109K32 V43 E45I30-K32 HydrophobicContact CG2-CG 4.22Å; I30-V43 HydrophobicContact CB-CB 4.26Å; I30-V43 HydrophobicContact CB-CG1 4.22Å; I30-V43 HydrophobicContact CG1-CG1 4.18Å; I30-V43 PolarHBondContact N-O 2.05Å; I30-E45 HydrophobicContact CD1-CB 4.29Å; I30-E45 HydrophobicContact CD1-CG 4.14Å; I30-E45 HydrophobicContact CG1-CB 4.34Å; I30-E45 HydrophobicContact CG1-CG 3.82Å
31K76.3Confident73.5Confident103 Ų10378.3 Ų78.345%0.44840%0.401SS..  trans-84.8114.2172.2-63.5176.5-169.51680108.5E181 D183K31-E181 VanDerWaalsContact CD-O 3.23Å; K31-E181 WeakPolarHBondContact CD-O 3.17Å; K31-E181 PolarHBondContact NZ-O 2.85Å; K31-D183 IonicContact NZ-OD2 3.5Å; K31-D183 PolarHBondContact NZ-OD2 3.42Å
32K64.7Low73.1Confident96 Ų9672.2 Ų72.242%0.41737%0.374SS..PPolyproline II helixtrans-93.8138.5179.1-72.1-171.3175.7-174.60111.3I30I30-K32 HydrophobicContact CG2-CG 4.22Å
33N50.7Low72.9Confident150 Ų15071 Ų7180%0.80237%0.366SS*.PPolyproline II helixtrans-64.9151.6172.1-72.4-20.1000112G35N33-G35 PolarHBondContact O-N 2.85Å
34Q41.7Very low72.7Confident182 Ų18267.3 Ų67.385%0.8535%0.347SS*.THydrogen-bonded Turntrans-50.1121.8-178.9-61.5-1801300111.4
35G41.6Very low72.6Confident78 Ų7866.5 Ų66.580%0.80435%0.345SS*.THydrogen-bonded Turntrans135.7-12.2172.500000117.6N33N33-G35 PolarHBondContact O-N 2.85Å
36S45.7Very low72.6Confident54 Ų5466.5 Ų66.538%0.37835%0.345SS..  trans-83.3141.3174.4-66.60000111.5L38 H39S36-L38 PolarHBondContact O-N 3.49Å; S36-H39 WeakPolarHBondContact O-CA 3.2Å; S36-H39 WeakPolarHBondContact O-CB 3.23Å; S36-H39 PolarHBondContact O-N 2.8Å
37K48.8Very low72.6Confident225 Ų22565.8 Ų65.898%0.97834%0.341SS*.THydrogen-bonded Turntrans-53.8-21.8169.7-76.6-175.1177.9-179.70113.8H39K37-H39 VanDerWaalsContact C-N 3.27Å
38L51Low72.5Confident66 Ų6666.1 Ų66.135%0.34634%0.343SS..THydrogen-bonded Turntrans-85.29.2175.3-144.787.8000113.6S36 D40 A41 V43S36-L38 PolarHBondContact O-N 3.49Å; L38-D40 PolarHBondContact O-N 3.27Å; L38-A41 HydrophobicContact CD1-CB 4.33Å; L38-A41 HydrophobicContact CD2-CB 4.26Å; L38-A41 HydrophobicContact CG-CB 3.81Å; L38-A41 PolarHBondContact O-N 3.48Å; L38-V43 HydrophobicContact CD2-CG2 3.66Å
39H51.5Low72.3Confident108 Ų10865.6 Ų65.650%0.535%0.345SS..THydrogen-bonded Turntrans-44.6-31.2-178.6178-92.1000113.1S36 K37S36-H39 WeakPolarHBondContact O-CA 3.2Å; S36-H39 WeakPolarHBondContact O-CB 3.23Å; S36-H39 PolarHBondContact O-N 2.8Å; K37-H39 VanDerWaalsContact C-N 3.27Å
40D59.8Low72.4Confident66 Ų6669 Ų6935%0.35337%0.366SS..THydrogen-bonded Turntrans-93.2-25.2-172.4-83.21.5000112.5L38 V42 F63 R66L38-D40 PolarHBondContact O-N 3.27Å; D40-V42 PolarHBondContact O-N 2.94Å; D40-F63 WeakPolarHBondContact OD2-CB 3.09Å; D40-R66 VanDerWaalsContact C-NH2 3.31Å; D40-R66 VanDerWaalsContact CA-NH2 3.31Å; D40-R66 PolarHBondContact O-NE 3.03Å; D40-R66 PolarHBondContact O-NH1 3.39Å; D40-R66 VanDerWaalsContact O-NH1 3.14Å; D40-R66 PolarHBondContact O-NH2 3.36Å
41A72.3Confident72.6Confident25 Ų2570.6 Ų70.621%0.20738%0.382CS..  trans-79.5131.2-174.900000111.8L38 V43 V58L38-A41 HydrophobicContact CD1-CB 4.33Å; L38-A41 HydrophobicContact CD2-CB 4.26Å; L38-A41 HydrophobicContact CG-CB 3.81Å; L38-A41 PolarHBondContact O-N 3.48Å; A41-V43 HydrophobicContact CB-CG2 4.37Å; A41-V43 PolarHBondContact O-N 3.22Å; A41-V58 HydrophobicContact CB-CG1 4.23Å
42V83.1Confident73.4Confident9 Ų969.8 Ų69.86%0.05538%0.38CS..  trans-70.4125.8164.1176.50000108.1D40 Y44 E59 M77 T215D40-V42 PolarHBondContact O-N 2.94Å; V42-Y44 HydrophobicContact CG1-CD2 4.04Å; V42-Y44 HydrophobicContact CG1-CE2 3.27Å; V42-E59 HydrophobicContact CB-CB 3.88Å; V42-E59 WeakPolarHBondContact O-CB 3.31Å; V42-E59 PolarHBondContact O-N 2.78Å; V42-M77 HydrophobicContact CG1-CE 4.07Å; V42-T215 HydrophobicContact CG1-CG2 3.63Å; V42-T215 HydrophobicContact CG2-CG2 4.08Å
43V90Very high74.8Confident3 Ų368 Ų682%0.01838%0.375CS..EExtended strand (participates in β ladder)trans-126.8135.3-178.8178.90000110.2I30 L38 A41 K56 F57 V58I30-V43 HydrophobicContact CB-CB 4.26Å; I30-V43 HydrophobicContact CB-CG1 4.22Å; I30-V43 HydrophobicContact CG1-CG1 4.18Å; I30-V43 PolarHBondContact N-O 2.05Å; L38-V43 HydrophobicContact CD2-CG2 3.66Å; A41-V43 HydrophobicContact CB-CG2 4.37Å; A41-V43 PolarHBondContact O-N 3.22Å; V43-K56 HydrophobicContact CG1-CG 4.3Å; V43-F57 VanDerWaalsContact CA-O 3.31Å; V43-F57 WeakPolarHBondContact CA-O 3.42Å; V43-V58 HydrophobicContact CG2-CG1 4.44Å; V43-V58 HydrophobicContact CG2-CG2 4.44Å
44Y93.3Very high76.9Confident0 Ų061.1 Ų61.10%034%0.338CS..EExtended strand (participates in β ladder)trans-122.7149.2168.2-58.1-99.4000110.8V27 K28 Q29 V42 F57 M77 I206 D209 T215V27-Y44 HydrophobicContact CG1-CD1 4.24Å; K28-Y44 CarbonylContact O-C 3.56Å; K28-Y44 VanDerWaalsContact O-CA 3.23Å; K28-Y44 WeakPolarHBondContact O-CA 3.45Å; Q29-Y44 HydrophobicContact CB-CD1 3.75Å; Q29-Y44 HydrophobicContact CB-CE1 3.57Å; Q29-Y44 HydrophobicContact CG-CD1 4.03Å; Q29-Y44 HydrophobicContact CG-CE1 3.64Å; V42-Y44 HydrophobicContact CG1-CD2 4.04Å; V42-Y44 HydrophobicContact CG1-CE2 3.27Å; Y44-F57 PolarHBondContact N-O 2.77Å; Y44-F57 PolarHBondContact O-N 2.82Å; Y44-M77 HydrophobicContact CD2-CE 3.77Å; Y44-M77 HydrophobicContact CD2-SD 4.33Å; Y44-M77 HydrophobicContact CE2-CE 3.58Å; Y44-I206 HydrophobicContact CD1-CG1 4.29Å; Y44-I206 HydrophobicContact CD2-CD1 4.39Å; Y44-I206 HydrophobicContact CD2-CG1 4.41Å; Y44-I206 HydrophobicContact CD2-CG2 3.82Å; Y44-I206 HydrophobicContact CE1-CG2 4.45Å; Y44-I206 HydrophobicContact CE2-CG2 3.64Å; Y44-I206 HydrophobicContact CG-CD1 4.23Å; Y44-I206 HydrophobicContact CG-CG1 4.11Å; Y44-I206 HydrophobicContact CG-CG2 4.3Å; Y44-D209 HydrophobicContact CE1-CB 4.46Å; Y44-D209 WeakPolarHBondContact CE1-OD2 3.15Å; Y44-D209 PolarHBondContact OH-OD2 3.33Å; Y44-T215 WeakPolarHBondContact OH-CG2 3.47Å; Y44-T215 PolarHBondContact OH-OG1 3.27Å
45E95.1Very high79.4Confident41 Ų4152.5 Ų52.519%0.19230%0.298CS..EExtended strand (participates in β ladder)trans-122.7125.3172.4-69.7-178.6171.500108.8V27 K28 I30 L47 L53 K56V27-E45 CarbonylContact C-O 3.56Å; V27-E45 WeakPolarHBondContact CA-O 3.22Å; K28-E45 PolarHBondContact N-O 2.84Å; K28-E45 PolarHBondContact O-N 2.83Å; I30-E45 HydrophobicContact CD1-CB 4.29Å; I30-E45 HydrophobicContact CD1-CG 4.14Å; I30-E45 HydrophobicContact CG1-CB 4.34Å; I30-E45 HydrophobicContact CG1-CG 3.82Å; E45-L47 HydrophobicContact CB-CD2 4.14Å; E45-L53 HydrophobicContact CB-CD1 3.76Å; E45-L53 HydrophobicContact CG-CD1 3.87Å; E45-K56 HydrophobicContact CG-CG 4.27Å; E45-K56 IonicContact OE1-NZ 3.24Å; E45-K56 PolarHBondContact OE1-NZ 3.48Å
46A96.5Very high82Confident0 Ų051.7 Ų51.70%027%0.272CS..EExtended strand (participates in β ladder)trans-91.8125168.500000108.3V25 I26 V27 L54 L55 F57 I202V25-A46 HydrophobicContact CG1-CB 3.9Å; I26-A46 CarbonylContact O-C 3.49Å; I26-A46 WeakPolarHBondContact O-CA 3.32Å; V27-A46 HydrophobicContact CG2-CB 4.29Å; A46-L54 WeakPolarHBondContact O-CB 3.23Å; A46-L54 PolarHBondContact O-N 3.24Å; A46-L55 HydrophobicContact CB-CB 4.22Å; A46-L55 PolarHBondContact N-O 2.85Å; A46-L55 PolarHBondContact O-N 2.85Å; A46-F57 HydrophobicContact CB-CE2 3.9Å; A46-I202 HydrophobicContact CB-CG2 3.94Å
47L96.1Very high84.3Confident17 Ų1749.1 Ų49.19%0.08925%0.254CS..EExtended strand (participates in β ladder)trans-122.8144.3-171.9-52.3175.9000109.9V25 I26 K28 E45 E52 L53V25-L47 WeakPolarHBondContact CG1-O 3.4Å; I26-L47 PolarHBondContact N-O 3.39Å; I26-L47 PolarHBondContact O-N 3.1Å; K28-L47 HydrophobicContact CD-CD1 3.87Å; K28-L47 HydrophobicContact CG-CD1 4.34Å; E45-L47 HydrophobicContact CB-CD2 4.14Å; L47-E52 CarbonylContact C-O 3.56Å; L47-E52 VanDerWaalsContact CA-O 3.27Å; L47-E52 WeakPolarHBondContact CA-O 3.47Å; L47-L53 HydrophobicContact CD2-CB 4.25Å; L47-L53 HydrophobicContact CD2-CD1 3.88Å
48L94.6Very high86.3Confident7 Ų740 Ų404%0.03722%0.217CC..  trans-71.3168164.9-56.3-178.5000110.1R18 V22 T50 S51 E52 L54R18-L48 HydrophobicContact CB-CD1 4.12Å; R18-L48 HydrophobicContact CG-CD1 4.49Å; V22-L48 HydrophobicContact CG1-CD2 4.21Å; V22-L48 HydrophobicContact CG2-CD2 4.22Å; L48-T50 PolarHBondContact O-N 3.06Å; L48-S51 WeakPolarHBondContact O-CA 3.26Å; L48-S51 PolarHBondContact O-N 2.9Å; L48-E52 HydrophobicContact CB-CB 4.44Å; L48-E52 HydrophobicContact CD1-CB 4.23Å; L48-E52 HydrophobicContact CG-CB 4.49Å; L48-E52 PolarHBondContact N-O 3.24Å; L48-L54 HydrophobicContact CD2-CD1 4.4Å; L48-L54 HydrophobicContact CD2-CD2 4.46Å
49D88.8Confident88Confident79 Ų7937 Ų3742%0.42220%0.202SC..THydrogen-bonded Turntrans-62-23.9174.7-85.40.1000113.2R24 S51R24-D49 WeakPolarHBondContact CD-OD1 3.34Å; R24-D49 WeakPolarHBondContact CD-OD2 3.38Å; R24-D49 IonicContact CZ-OD2 3.39Å; R24-D49 IonicContact NE-OD2 3.79Å; R24-D49 IonicContact NH1-OD1 3.53Å; R24-D49 IonicContact NH1-OD2 3.08Å; R24-D49 PolarHBondContact NH1-OD2 3.49Å; D49-S51 PolarHBondContact O-N 3.09Å
50T90.6Very high89.3Confident87 Ų8737.6 Ų37.653%0.53420%0.203SC..THydrogen-bonded Turntrans-72.50.1170.959.60000113.3L48 E52L48-T50 PolarHBondContact O-N 3.06Å; T50-E52 WeakPolarHBondContact CB-OE1 3.36Å; T50-E52 PolarHBondContact O-N 2.96Å; T50-E52 WeakPolarHBondContact OG1-CG 3.49Å; T50-E52 PolarHBondContact OG1-OE1 3.03Å
51S91.5Very high89.6Confident86 Ų8635.2 Ų35.260%0.60119%0.191SC*.  trans64.810.6-171-53.80000114.7L48 D49L48-S51 WeakPolarHBondContact O-CA 3.26Å; L48-S51 PolarHBondContact O-N 2.9Å; D49-S51 PolarHBondContact O-N 3.09Å
52E93.3Very high89.1Confident86 Ų8637.2 Ų37.240%0.40220%0.204SC..  trans-65.5135.2168.3-75.6163.2-12400110.4R18 L47 L48 T50R18-E52 IonicContact CZ-OE2 2.78Å; R18-E52 IonicContact NH1-OE2 3.55Å; R18-E52 PolarHBondContact NH1-OE2 3.04Å; R18-E52 IonicContact NH2-OE1 3.5Å; R18-E52 IonicContact NH2-OE2 3.96Å; R18-E52 PolarHBondContact NH2-OE2 3.28Å; L47-E52 CarbonylContact C-O 3.56Å; L47-E52 VanDerWaalsContact CA-O 3.27Å; L47-E52 WeakPolarHBondContact CA-O 3.47Å; L48-E52 HydrophobicContact CB-CB 4.44Å; L48-E52 HydrophobicContact CD1-CB 4.23Å; L48-E52 HydrophobicContact CG-CB 4.49Å; L48-E52 PolarHBondContact N-O 3.24Å; T50-E52 WeakPolarHBondContact CB-OE1 3.36Å; T50-E52 PolarHBondContact O-N 2.96Å; T50-E52 WeakPolarHBondContact OG1-CG 3.49Å; T50-E52 PolarHBondContact OG1-OE1 3.03Å
53L94.3Very high87.8Confident60 Ų6042 Ų4231%0.31422%0.224SC..EExtended strand (participates in β ladder)trans-67.5133173.6-17967.7000110E45 L47 L55 V82E45-L53 HydrophobicContact CB-CD1 3.76Å; E45-L53 HydrophobicContact CG-CD1 3.87Å; L47-L53 HydrophobicContact CD2-CB 4.25Å; L47-L53 HydrophobicContact CD2-CD1 3.88Å; L53-L55 WeakPolarHBondContact CD1-O 3.46Å; L53-V82 HydrophobicContact CB-CG1 4.46Å; L53-V82 HydrophobicContact CG-CG1 4.47Å; L53-V82 WeakPolarHBondContact O-CG1 3.24Å
54L94.6Very high86.1Confident5 Ų544.1 Ų44.13%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-105.6-54.3172.5-178.273.3000110.6L16 R18 L19 V25 A46 L48 I202L16-L54 HydrophobicContact CD2-CD1 3.77Å; L16-L54 HydrophobicContact CD2-CG 3.93Å; R18-L54 HydrophobicContact CB-CD1 4.45Å; L19-L54 HydrophobicContact CD1-CD2 3.99Å; L19-L54 HydrophobicContact CD2-CD2 3.45Å; L19-L54 VanDerWaalsContact CD2-CD2 3.45Å; L19-L54 HydrophobicContact CG-CD1 4.37Å; L19-L54 HydrophobicContact CG-CD2 3.62Å; V25-L54 HydrophobicContact CG2-CD2 4.42Å; A46-L54 WeakPolarHBondContact O-CB 3.23Å; A46-L54 PolarHBondContact O-N 3.24Å; L48-L54 HydrophobicContact CD2-CD1 4.4Å; L48-L54 HydrophobicContact CD2-CD2 4.46Å; L54-I202 HydrophobicContact CD2-CD1 4.41Å
55L95.4Very high84.1Confident0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-141146.2-177.1-71.9171.6000110.9L16 A46 L53 F57 V79 R80 N81 V87 M88 L199L16-L55 HydrophobicContact CD1-CD1 4.32Å; L16-L55 HydrophobicContact CD1-CD2 4.37Å; L16-L55 HydrophobicContact CD2-CD1 4.19Å; L16-L55 HydrophobicContact CD2-CD2 3.76Å; L16-L55 HydrophobicContact CD2-CG 3.86Å; A46-L55 HydrophobicContact CB-CB 4.22Å; A46-L55 PolarHBondContact N-O 2.85Å; A46-L55 PolarHBondContact O-N 2.85Å; L53-L55 WeakPolarHBondContact CD1-O 3.46Å; L55-F57 HydrophobicContact CB-CD2 4.44Å; L55-F57 HydrophobicContact CB-CE2 3.66Å; L55-F57 HydrophobicContact CB-CZ 4.07Å; L55-F57 HydrophobicContact CD1-CE2 4.47Å; L55-F57 HydrophobicContact CD1-CZ 4.07Å; L55-V79 HydrophobicContact CB-CG1 3.89Å; L55-V79 HydrophobicContact CD1-CG1 4.17Å; L55-V79 HydrophobicContact CD2-CG1 3.9Å; L55-V79 HydrophobicContact CG-CG1 4.19Å; L55-R80 WeakPolarHBondContact CA-O 3.28Å; L55-N81 HydrophobicContact CD2-CB 4.42Å; L55-V87 HydrophobicContact CD2-CG2 3.72Å; L55-M88 HydrophobicContact CD1-SD 3.9Å; L55-L199 HydrophobicContact CD1-CD2 3.67Å
56K95Very high82.3Confident62 Ų6245.8 Ų45.827%0.2725%0.249SC..EExtended strand (participates in β ladder)trans-119.4123.1173.8-174.4170-166.91320110.3V43 E45 V58 V79 R80V43-K56 HydrophobicContact CG1-CG 4.3Å; E45-K56 HydrophobicContact CG-CG 4.27Å; E45-K56 IonicContact OE1-NZ 3.24Å; E45-K56 PolarHBondContact OE1-NZ 3.48Å; K56-V58 HydrophobicContact CG-CG2 4.15Å; K56-V79 CarbonylContact O-C 3.57Å; K56-V79 VanDerWaalsContact O-CA 3.31Å; K56-V79 WeakPolarHBondContact O-CA 3.28Å; K56-R80 PolarHBondContact N-O 3.04Å; K56-R80 PolarHBondContact O-N 2.77Å
57F94.1Very high80.2Confident0 Ų052 Ų520%028%0.276CS..EExtended strand (participates in β ladder)trans-103.9126.5-179.7-56.6-106.7000108.4V43 Y44 A46 L55 M77 E78 V79 L90 I202 I206V43-F57 VanDerWaalsContact CA-O 3.31Å; V43-F57 WeakPolarHBondContact CA-O 3.42Å; Y44-F57 PolarHBondContact N-O 2.77Å; Y44-F57 PolarHBondContact O-N 2.82Å; A46-F57 HydrophobicContact CB-CE2 3.9Å; L55-F57 HydrophobicContact CB-CD2 4.44Å; L55-F57 HydrophobicContact CB-CE2 3.66Å; L55-F57 HydrophobicContact CB-CZ 4.07Å; L55-F57 HydrophobicContact CD1-CE2 4.47Å; L55-F57 HydrophobicContact CD1-CZ 4.07Å; F57-M77 HydrophobicContact CB-SD 3.86Å; F57-E78 WeakPolarHBondContact CA-O 3.15Å; F57-V79 HydrophobicContact CD1-CB 4.18Å; F57-V79 HydrophobicContact CD1-CG1 3.73Å; F57-V79 HydrophobicContact CD1-CG2 3.38Å; F57-V79 HydrophobicContact CD2-CG1 4.19Å; F57-V79 HydrophobicContact CE1-CB 4.25Å; F57-V79 HydrophobicContact CE1-CG1 3.59Å; F57-V79 HydrophobicContact CE1-CG2 3.57Å; F57-V79 HydrophobicContact CE2-CG1 4.04Å; F57-V79 HydrophobicContact CG-CG1 4.01Å; F57-V79 HydrophobicContact CG-CG2 4.23Å; F57-V79 HydrophobicContact CZ-CG1 3.74Å; F57-L90 HydrophobicContact CD1-CD2 4.08Å; F57-L90 HydrophobicContact CE1-CD1 4.42Å; F57-L90 HydrophobicContact CE1-CD2 4.16Å; F57-I202 HydrophobicContact CE2-CG2 4.21Å; F57-I202 HydrophobicContact CZ-CG2 3.83Å; F57-I206 HydrophobicContact CB-CD1 4Å; F57-I206 HydrophobicContact CD1-CD1 3.35Å; F57-I206 HydrophobicContact CD2-CD1 3.68Å; F57-I206 HydrophobicContact CE1-CD1 3.66Å; F57-I206 HydrophobicContact CE2-CD1 3.98Å; F57-I206 HydrophobicContact CG-CD1 3.39Å; F57-I206 HydrophobicContact CZ-CD1 3.98Å
58V91.1Very high78.1Confident32 Ų3260.6 Ų60.619%0.19431%0.307CS..EExtended strand (participates in β ladder)trans-128.8121.5-178.8-175.60000109.2A41 V43 K56 M77 E78A41-V58 HydrophobicContact CB-CG1 4.23Å; V43-V58 HydrophobicContact CG2-CG1 4.44Å; V43-V58 HydrophobicContact CG2-CG2 4.44Å; K56-V58 HydrophobicContact CG-CG2 4.15Å; V58-M77 WeakPolarHBondContact O-CA 3.48Å; V58-E78 PolarHBondContact N-O 2.91Å; V58-E78 PolarHBondContact O-N 2.84Å
59E86.4Confident76.2Confident5 Ų562.5 Ų62.52%0.02332%0.321CS..EExtended strand (participates in β ladder)trans-79133.9178.3-164.3-178.6114.700113.2V42 S61 R73 D76 M77V42-E59 HydrophobicContact CB-CB 3.88Å; V42-E59 WeakPolarHBondContact O-CB 3.31Å; V42-E59 PolarHBondContact O-N 2.78Å; E59-S61 VanDerWaalsContact OE1-CB 3.24Å; E59-S61 WeakPolarHBondContact OE1-CB 3.47Å; E59-S61 PolarHBondContact OE1-OG 3.49Å; E59-R73 IonicContact OE1-CZ 2.94Å; E59-R73 IonicContact OE1-NE 3.23Å; E59-R73 IonicContact OE1-NH1 3.4Å; E59-R73 PolarHBondContact OE1-NH1 2.96Å; E59-R73 IonicContact OE1-NH2 3.02Å; E59-R73 PolarHBondContact OE1-NH2 3.24Å; E59-R73 IonicContact OE2-CZ 2.84Å; E59-R73 IonicContact OE2-NH1 3.67Å; E59-R73 PolarHBondContact OE2-NH1 2.91Å; E59-R73 IonicContact OE2-NH2 3.98Å; E59-R73 PolarHBondContact OE2-NH2 3.34Å; E59-D76 WeakPolarHBondContact CA-O 3.45Å; E59-M77 HydrophobicContact CB-CE 3.8Å; E59-M77 HydrophobicContact CB-CG 4.01Å; E59-M77 HydrophobicContact CG-CE 4.19Å; E59-M77 HydrophobicContact CG-CG 4.21Å
60K78.7Confident74.7Confident119 Ų11960.1 Ų60.152%0.51732%0.315SS..  trans-96.224.7178.9-76.3-176161.41730114.4D76 E78K60-D76 HydrophobicContact CB-CB 4.37Å; K60-D76 PolarHBondContact N-O 2.97Å; K60-E78 HydrophobicContact CD-CG 4.04Å; K60-E78 VanDerWaalsContact CE-CG 3.44Å; K60-E78 WeakPolarHBondContact CE-OE1 3.23Å; K60-E78 VanDerWaalsContact NZ-CD 3.25Å; K60-E78 IonicContact NZ-OE1 3.92Å; K60-E78 PolarHBondContact NZ-OE1 3.37Å
61S67.8Low73Confident16 Ų1657.7 Ų57.711%0.11230%0.301CS..  trans-82.2153.4177.271.20000111.6E59 Q65 R66E59-S61 VanDerWaalsContact OE1-CB 3.24Å; E59-S61 WeakPolarHBondContact OE1-CB 3.47Å; E59-S61 PolarHBondContact OE1-OG 3.49Å; S61-Q65 VanDerWaalsContact CB-OE1 3.31Å; S61-R66 VanDerWaalsContact C-NH1 3.29Å; S61-R66 PolarHBondContact O-NH1 3.34Å; S61-R66 WeakPolarHBondContact OG-CD 3.27Å; S61-R66 WeakPolarHBondContact OG-CG 3.48Å; S61-R66 PolarHBondContact OG-NH1 2.96Å
62S61Low71.2Confident67 Ų6760 Ų6047%0.46930%0.297SS..  trans-82155.9170.467.80000111A64 Q65 R66S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 2.8Å; S62-Q65 WeakPolarHBondContact O-CB 3.46Å; S62-Q65 PolarHBondContact O-N 2.93Å; S62-Q65 WeakPolarHBondContact OG-CB 3.28Å; S62-Q65 PolarHBondContact OG-N 3.18Å; S62-R66 PolarHBondContact O-N 3.2Å; S62-R66 VanDerWaalsContact O-N 3.07Å; S62-R66 PolarHBondContact O-NH1 2.82Å
63F56.3Low69.6Low110 Ų11055.9 Ų55.948%0.48228%0.278SS..Hα-helixtrans-53.3-44.9173.8177.4-91.8000112.4D40 Q65 R66 F67D40-F63 WeakPolarHBondContact OD2-CB 3.09Å; F63-Q65 VanDerWaalsContact C-N 3.27Å; F63-Q65 PolarHBondContact O-N 3.44Å; F63-R66 PolarHBondContact O-N 2.86Å; F63-R66 VanDerWaalsContact O-N 3.13Å; F63-F67 HydrophobicContact CD1-CB 4.34Å; F63-F67 HydrophobicContact CE1-CB 3.94Å; F63-F67 HydrophobicContact CE1-CD2 4.27Å; F63-F67 HydrophobicContact CE1-CG 4.09Å; F63-F67 HydrophobicContact CZ-CB 4.16Å; F63-F67 AromaticContact CZ-CD2 3.87Å; F63-F67 HydrophobicContact CZ-CD2 3.87Å; F63-F67 HydrophobicContact CZ-CG 4.16Å; F63-F67 WeakPolarHBondContact O-CB 3.34Å; F63-F67 PolarHBondContact O-N 2.76Å
64A52.7Low68.1Low48 Ų4854.1 Ų54.140%0.39727%0.272SS..Hα-helixtrans-57.9-40.9176.900000111.9S62 W68S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 2.8Å; A64-W68 VanDerWaalsContact O-CB 3.27Å; A64-W68 WeakPolarHBondContact O-CB 3.47Å; A64-W68 PolarHBondContact O-N 2.91Å
65Q52.9Low67Low53 Ų5354 Ų5425%0.24827%0.271CS..Hα-helixtrans-66.6-38.6177.6-165.1-176.815.300112S61 S62 F63 C69 R73S61-Q65 VanDerWaalsContact CB-OE1 3.31Å; S62-Q65 WeakPolarHBondContact O-CB 3.46Å; S62-Q65 PolarHBondContact O-N 2.93Å; S62-Q65 WeakPolarHBondContact OG-CB 3.28Å; S62-Q65 PolarHBondContact OG-N 3.18Å; F63-Q65 VanDerWaalsContact C-N 3.27Å; F63-Q65 PolarHBondContact O-N 3.44Å; Q65-C69 WeakPolarHBondContact O-CB 3.47Å; Q65-C69 PolarHBondContact O-N 3Å; Q65-C69 VanDerWaalsContact O-N 3.15Å; Q65-R73 HydrophobicContact CG-CB 3.76Å
66R56.4Low66.4Low22 Ų2256.3 Ų56.38%0.08328%0.284CS..Hα-helixtrans-70.1-45.4175.3-68.2-170.7-61.6-74.5-10.7112.5D40 S61 S62 F63 G70D40-R66 VanDerWaalsContact C-NH2 3.31Å; D40-R66 VanDerWaalsContact CA-NH2 3.31Å; D40-R66 PolarHBondContact O-NE 3.03Å; D40-R66 PolarHBondContact O-NH1 3.39Å; D40-R66 VanDerWaalsContact O-NH1 3.14Å; D40-R66 PolarHBondContact O-NH2 3.36Å; S61-R66 VanDerWaalsContact C-NH1 3.29Å; S61-R66 PolarHBondContact O-NH1 3.34Å; S61-R66 WeakPolarHBondContact OG-CD 3.27Å; S61-R66 WeakPolarHBondContact OG-CG 3.48Å; S61-R66 PolarHBondContact OG-NH1 2.96Å; S62-R66 PolarHBondContact O-N 3.2Å; S62-R66 VanDerWaalsContact O-N 3.07Å; S62-R66 PolarHBondContact O-NH1 2.82Å; F63-R66 PolarHBondContact O-N 2.86Å; F63-R66 VanDerWaalsContact O-N 3.13Å; R66-G70 VanDerWaalsContact O-CA 3.28Å; R66-G70 WeakPolarHBondContact O-CA 3.23Å; R66-G70 PolarHBondContact O-N 3.41Å
67F52.8Low66.2Low132 Ų13253.4 Ų53.458%0.57927%0.271SS*.Hα-helixtrans-70-46.7-176.1-168.5-96.9000112.3F63F63-F67 HydrophobicContact CD1-CB 4.34Å; F63-F67 HydrophobicContact CE1-CB 3.94Å; F63-F67 HydrophobicContact CE1-CD2 4.27Å; F63-F67 HydrophobicContact CE1-CG 4.09Å; F63-F67 HydrophobicContact CZ-CB 4.16Å; F63-F67 AromaticContact CZ-CD2 3.87Å; F63-F67 HydrophobicContact CZ-CD2 3.87Å; F63-F67 HydrophobicContact CZ-CG 4.16Å; F63-F67 WeakPolarHBondContact O-CB 3.34Å; F63-F67 PolarHBondContact O-N 2.76Å
68W51.6Low66.1Low196 Ų19655 Ų5574%0.74228%0.278SS*.Hα-helixtrans-84.7-29.8-175.7-62.9114.8000113.7A64A64-W68 VanDerWaalsContact O-CB 3.27Å; A64-W68 WeakPolarHBondContact O-CB 3.47Å; A64-W68 PolarHBondContact O-N 2.91Å
69C54.5Low66.3Low47 Ų4753.4 Ų53.432%0.31827%0.269SS..Hα-helixtrans-102.6-19-178.5-520000113.8Q65 S71 R72 R73Q65-C69 WeakPolarHBondContact O-CB 3.47Å; Q65-C69 PolarHBondContact O-N 3Å; Q65-C69 VanDerWaalsContact O-N 3.15Å; C69-S71 PolarHBondContact O-N 2.85Å; C69-R72 HydrophobicContact CB-CB 4.34Å; C69-R72 WeakPolarHBondContact O-CA 3.37Å; C69-R72 WeakPolarHBondContact O-CB 3.48Å; C69-R72 VanDerWaalsContact O-CG 3.26Å; C69-R72 WeakPolarHBondContact O-CG 3.23Å; C69-R72 PolarHBondContact O-N 3.32Å; C69-R73 HydrophobicContact CB-CB 4.02Å
70G57.6Low66.6Low30 Ų3057.5 Ų57.531%0.30928%0.284SS..G310 helixtrans53.1-134.3-176.400000112.1R66 R72 R73R66-G70 VanDerWaalsContact O-CA 3.28Å; R66-G70 WeakPolarHBondContact O-CA 3.23Å; R66-G70 PolarHBondContact O-N 3.41Å; G70-R72 PolarHBondContact O-N 2.89Å; G70-R72 VanDerWaalsContact O-N 3.09Å; G70-R73 WeakPolarHBondContact O-CD 3.13Å; G70-R73 VanDerWaalsContact O-CG 3.23Å; G70-R73 WeakPolarHBondContact O-CG 3.43Å; G70-R73 PolarHBondContact O-N 2.81Å
71S54.4Low67.3Low35 Ų3552.1 Ų52.125%0.24526%0.261CS..G310 helixtrans-680174.560.70000115C69 F210C69-S71 PolarHBondContact O-N 2.85Å; S71-F210 VanDerWaalsContact O-CE1 3.26Å; S71-F210 WeakPolarHBondContact O-CE1 3.36Å; S71-F210 WeakPolarHBondContact O-CZ 3.19Å
72R53.8Low68.4Low134 Ų13455.3 Ų55.351%0.50628%0.28SS..G310 helixtrans-84.8-17.7178.1-52.3170174.6162.80.9112.5C69 G70 S97C69-R72 HydrophobicContact CB-CB 4.34Å; C69-R72 WeakPolarHBondContact O-CA 3.37Å; C69-R72 WeakPolarHBondContact O-CB 3.48Å; C69-R72 VanDerWaalsContact O-CG 3.26Å; C69-R72 WeakPolarHBondContact O-CG 3.23Å; C69-R72 PolarHBondContact O-N 3.32Å; G70-R72 PolarHBondContact O-N 2.89Å; G70-R72 VanDerWaalsContact O-N 3.09Å; R72-S97 PolarHBondContact NE-O 2.78Å
73R59.7Low69.8Low0 Ų057.4 Ų57.40%029%0.286CS..SBendtrans-60.4154-174.463.9-170.8171.272.7-8.9113.7E59 Q65 C69 G70 R92 F210E59-R73 IonicContact OE1-CZ 2.94Å; E59-R73 IonicContact OE1-NE 3.23Å; E59-R73 IonicContact OE1-NH1 3.4Å; E59-R73 PolarHBondContact OE1-NH1 2.96Å; E59-R73 IonicContact OE1-NH2 3.02Å; E59-R73 PolarHBondContact OE1-NH2 3.24Å; E59-R73 IonicContact OE2-CZ 2.84Å; E59-R73 IonicContact OE2-NH1 3.67Å; E59-R73 PolarHBondContact OE2-NH1 2.91Å; E59-R73 IonicContact OE2-NH2 3.98Å; E59-R73 PolarHBondContact OE2-NH2 3.34Å; Q65-R73 HydrophobicContact CG-CB 3.76Å; C69-R73 HydrophobicContact CB-CB 4.02Å; G70-R73 WeakPolarHBondContact O-CD 3.13Å; G70-R73 VanDerWaalsContact O-CG 3.23Å; G70-R73 WeakPolarHBondContact O-CG 3.43Å; G70-R73 PolarHBondContact O-N 2.81Å; R73-R92 PolarHBondContact O-NH1 3.19Å; R73-F210 HydrophobicContact CG-CE2 4.01Å; R73-F210 HydrophobicContact CG-CZ 4.15Å
74A63.7Low71.4Confident24 Ų2453.9 Ų53.920%0.19828%0.281CS..  trans-58141.8159.300000107.9R92 L94A74-R92 VanDerWaalsContact CA-O 3.3Å; A74-R92 WeakPolarHBondContact CA-O 3.44Å; A74-R92 WeakPolarHBondContact CB-O 3.5Å; A74-L94 HydrophobicContact CB-CD2 4.14Å; A74-L94 HydrophobicContact CB-CG 3.92Å
75F70.6Confident73.3Confident2 Ų256.8 Ų56.81%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-110.4119.4175.6-177.1-88.5000106.3M77 L90 Q91 R92 M108 I206 F210F75-M77 HydrophobicContact CD1-CG 4.08Å; F75-M77 HydrophobicContact CD2-CE 4.15Å; F75-M77 HydrophobicContact CE1-CB 3.94Å; F75-M77 HydrophobicContact CE1-CE 4.05Å; F75-M77 HydrophobicContact CE1-CG 3.45Å; F75-M77 VanDerWaalsContact CE1-CG 3.45Å; F75-M77 HydrophobicContact CE1-SD 3.58Å; F75-M77 VanDerWaalsContact CE1-SD 3.58Å; F75-M77 HydrophobicContact CE2-CE 3.12Å; F75-M77 HydrophobicContact CE2-CG 4.11Å; F75-M77 HydrophobicContact CE2-SD 3.83Å; F75-M77 HydrophobicContact CZ-CB 4.41Å; F75-M77 HydrophobicContact CZ-CE 3.1Å; F75-M77 HydrophobicContact CZ-CG 3.51Å; F75-M77 HydrophobicContact CZ-SD 3.1Å; F75-M77 WeakPolarHBondContact CZ-SD 3.44Å; F75-L90 HydrophobicContact CE1-CB 4.09Å; F75-L90 HydrophobicContact CE1-CD2 4.2Å; F75-Q91 CarbonylContact O-C 3.56Å; F75-Q91 WeakPolarHBondContact O-CA 3.36Å; F75-R92 HydrophobicContact CB-CB 3.55Å; F75-R92 PolarHBondContact N-O 3.35Å; F75-R92 VanDerWaalsContact N-O 3.09Å; F75-R92 PolarHBondContact O-N 3.32Å; F75-M108 HydrophobicContact CD1-CE 3.87Å; F75-M108 HydrophobicContact CE1-CE 3.47Å; F75-M108 VanDerWaalsContact CE1-CE 3.47Å; F75-M108 HydrophobicContact CZ-CE 3.9Å; F75-I206 HydrophobicContact CE2-CG2 4.26Å; F75-I206 HydrophobicContact CZ-CG2 3.67Å; F75-F210 HydrophobicContact CD2-CD2 4.01Å; F75-F210 HydrophobicContact CD2-CE2 4.29Å; F75-F210 HydrophobicContact CD2-CG 4.41Å; F75-F210 HydrophobicContact CE2-CD2 4.4Å
76D83.5Confident75.1Confident49 Ų4957 Ų5726%0.26229%0.286SS..EExtended strand (participates in β ladder)trans-129.2113.7175.1-172.2-54.9000105.7E59 K60 H89 L90E59-D76 WeakPolarHBondContact CA-O 3.45Å; K60-D76 HydrophobicContact CB-CB 4.37Å; K60-D76 PolarHBondContact N-O 2.97Å; D76-H89 VanDerWaalsContact CG-NE2 3.26Å; D76-H89 IonicContact OD1-CD2 2.87Å; D76-H89 IonicContact OD1-CE1 3.71Å; D76-H89 IonicContact OD1-NE2 3.83Å; D76-H89 PolarHBondContact OD1-NE2 3.34Å; D76-H89 IonicContact OD2-CE1 2.8Å; D76-H89 IonicContact OD2-NE2 3.37Å; D76-H89 PolarHBondContact OD2-NE2 2.99Å; D76-L90 WeakPolarHBondContact CA-O 3.09Å
77M90.5Very high76.9Confident0 Ų056.2 Ų56.20%029%0.285CS..EExtended strand (participates in β ladder)trans-123.3129.6177.5-76-164.817800111.1V42 Y44 F57 V58 E59 F75 H89 L90 I206V42-M77 HydrophobicContact CG1-CE 4.07Å; Y44-M77 HydrophobicContact CD2-CE 3.77Å; Y44-M77 HydrophobicContact CD2-SD 4.33Å; Y44-M77 HydrophobicContact CE2-CE 3.58Å; F57-M77 HydrophobicContact CB-SD 3.86Å; V58-M77 WeakPolarHBondContact O-CA 3.48Å; E59-M77 HydrophobicContact CB-CE 3.8Å; E59-M77 HydrophobicContact CB-CG 4.01Å; E59-M77 HydrophobicContact CG-CE 4.19Å; E59-M77 HydrophobicContact CG-CG 4.21Å; F75-M77 HydrophobicContact CD1-CG 4.08Å; F75-M77 HydrophobicContact CD2-CE 4.15Å; F75-M77 HydrophobicContact CE1-CB 3.94Å; F75-M77 HydrophobicContact CE1-CE 4.05Å; F75-M77 HydrophobicContact CE1-CG 3.45Å; F75-M77 VanDerWaalsContact CE1-CG 3.45Å; F75-M77 HydrophobicContact CE1-SD 3.58Å; F75-M77 VanDerWaalsContact CE1-SD 3.58Å; F75-M77 HydrophobicContact CE2-CE 3.12Å; F75-M77 HydrophobicContact CE2-CG 4.11Å; F75-M77 HydrophobicContact CE2-SD 3.83Å; F75-M77 HydrophobicContact CZ-CB 4.41Å; F75-M77 HydrophobicContact CZ-CE 3.1Å; F75-M77 HydrophobicContact CZ-CG 3.51Å; F75-M77 HydrophobicContact CZ-SD 3.1Å; F75-M77 WeakPolarHBondContact CZ-SD 3.44Å; M77-H89 PolarHBondContact O-CD2 2.78Å; M77-H89 VanDerWaalsContact O-CD2 3.22Å; M77-L90 HydrophobicContact CB-CB 4.18Å; M77-L90 PolarHBondContact N-O 3.42Å; M77-L90 PolarHBondContact O-N 2.9Å; M77-I206 HydrophobicContact CE-CG2 4.18Å; M77-I206 HydrophobicContact SD-CG2 4.16Å
78E92.6Very high78.8Confident33 Ų3350 Ų5015%0.15426%0.257CS..EExtended strand (participates in β ladder)trans-83.2136.6162.1-79.2-166.2168.200110F57 V58 K60 R80 L86F57-E78 WeakPolarHBondContact CA-O 3.15Å; V58-E78 PolarHBondContact N-O 2.91Å; V58-E78 PolarHBondContact O-N 2.84Å; K60-E78 HydrophobicContact CD-CG 4.04Å; K60-E78 VanDerWaalsContact CE-CG 3.44Å; K60-E78 WeakPolarHBondContact CE-OE1 3.23Å; K60-E78 VanDerWaalsContact NZ-CD 3.25Å; K60-E78 IonicContact NZ-OE1 3.92Å; K60-E78 PolarHBondContact NZ-OE1 3.37Å; E78-R80 IonicContact OE1-NH2 2.71Å; E78-R80 IonicContact OE2-CZ 2.67Å; E78-R80 IonicContact OE2-NE 2.77Å; E78-R80 PolarHBondContact OE2-NE 3.23Å; E78-R80 IonicContact OE2-NH2 3.34Å; E78-R80 PolarHBondContact OE2-NH2 2.98Å; E78-L86 HydrophobicContact CB-CD1 3.5Å; E78-L86 HydrophobicContact CG-CD1 3.54Å
79V94.1Very high80.8Confident0 Ų041.8 Ų41.80%023%0.227CC..EExtended strand (participates in β ladder)trans-115.9124.9174-160.60000109.9L55 K56 F57 V87 M88 L90L55-V79 HydrophobicContact CB-CG1 3.89Å; L55-V79 HydrophobicContact CD1-CG1 4.17Å; L55-V79 HydrophobicContact CD2-CG1 3.9Å; L55-V79 HydrophobicContact CG-CG1 4.19Å; K56-V79 CarbonylContact O-C 3.57Å; K56-V79 VanDerWaalsContact O-CA 3.31Å; K56-V79 WeakPolarHBondContact O-CA 3.28Å; F57-V79 HydrophobicContact CD1-CB 4.18Å; F57-V79 HydrophobicContact CD1-CG1 3.73Å; F57-V79 HydrophobicContact CD1-CG2 3.38Å; F57-V79 HydrophobicContact CD2-CG1 4.19Å; F57-V79 HydrophobicContact CE1-CB 4.25Å; F57-V79 HydrophobicContact CE1-CG1 3.59Å; F57-V79 HydrophobicContact CE1-CG2 3.57Å; F57-V79 HydrophobicContact CE2-CG1 4.04Å; F57-V79 HydrophobicContact CG-CG1 4.01Å; F57-V79 HydrophobicContact CG-CG2 4.23Å; F57-V79 HydrophobicContact CZ-CG1 3.74Å; V79-V87 WeakPolarHBondContact O-CG2 3.21Å; V79-V87 PolarHBondContact O-N 3.46Å; V79-M88 HydrophobicContact CB-CB 3.76Å; V79-M88 HydrophobicContact CB-CG 4.33Å; V79-M88 HydrophobicContact CG1-SD 4.36Å; V79-M88 HydrophobicContact CG2-CB 3.8Å; V79-M88 PolarHBondContact N-O 3.25Å; V79-M88 PolarHBondContact O-N 3.42Å; V79-L90 HydrophobicContact CG2-CD1 3.31Å
80R94Very high82.6Confident91 Ų9139.6 Ų39.634%0.34321%0.212SC..EExtended strand (participates in β ladder)trans-113.5141.4179.9-65.1176.7-178.3-90.4-5.3110.8L55 K56 E78 G84 K85 L86L55-R80 WeakPolarHBondContact CA-O 3.28Å; K56-R80 PolarHBondContact N-O 3.04Å; K56-R80 PolarHBondContact O-N 2.77Å; E78-R80 IonicContact OE1-NH2 2.71Å; E78-R80 IonicContact OE2-CZ 2.67Å; E78-R80 IonicContact OE2-NE 2.77Å; E78-R80 PolarHBondContact OE2-NE 3.23Å; E78-R80 IonicContact OE2-NH2 3.34Å; E78-R80 PolarHBondContact OE2-NH2 2.98Å; R80-G84 WeakPolarHBondContact CD-O 3.47Å; R80-G84 PolarHBondContact NH1-O 2.81Å; R80-K85 WeakPolarHBondContact CA-O 3.23Å; R80-L86 HydrophobicContact CG-CD1 4.49Å
81N92.7Very high84.1Confident5 Ų541.8 Ų41.83%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-77.4-179.6170.170.95.8000111E14 L55 N83 G84 K85 V87E14-N81 PolarHBondContact O-ND2 3.02Å; L55-N81 HydrophobicContact CD2-CB 4.42Å; N81-N83 PolarHBondContact O-N 3.32Å; N81-N83 VanDerWaalsContact O-N 3.16Å; N81-N83 WeakPolarHBondContact OD1-CB 3.33Å; N81-N83 PolarHBondContact OD1-N 2.9Å; N81-N83 VanDerWaalsContact OD1-N 3.09Å; N81-G84 PolarHBondContact O-N 3.48Å; N81-G84 PolarHBondContact OD1-N 3.44Å; N81-K85 PolarHBondContact N-O 2.89Å; N81-K85 WeakPolarHBondContact OD1-CB 3.44Å; N81-K85 PolarHBondContact OD1-N 3.5Å; N81-K85 VanDerWaalsContact OD1-N 3.08Å; N81-K85 PolarHBondContact OD1-O 3.42Å; N81-V87 HydrophobicContact CB-CG1 4Å; N81-V87 HydrophobicContact CB-CG2 4.15Å
82V90.8Very high85.2Confident84 Ų8440.3 Ų40.351%0.50920%0.203SC..THydrogen-bonded Turntrans-58.1-26.4179.5-63.30000114.1L53 G84L53-V82 HydrophobicContact CB-CG1 4.46Å; L53-V82 HydrophobicContact CG-CG1 4.47Å; L53-V82 WeakPolarHBondContact O-CG1 3.24Å; V82-G84 PolarHBondContact O-N 3.29Å
83N90.5Very high85.9Confident111 Ų11136.8 Ų36.859%0.59420%0.198SC*.THydrogen-bonded Turntrans-83.30.4177.3-61.9-24.8000112.5E14 N81 K85E14-N83 PolarHBondContact OE1-ND2 3.47Å; N81-N83 PolarHBondContact O-N 3.32Å; N81-N83 VanDerWaalsContact O-N 3.16Å; N81-N83 WeakPolarHBondContact OD1-CB 3.33Å; N81-N83 PolarHBondContact OD1-N 2.9Å; N81-N83 VanDerWaalsContact OD1-N 3.09Å; N83-K85 PolarHBondContact O-N 2.81Å
84G90.1Very high85.7Confident36 Ų3642.6 Ų42.637%0.37123%0.228SC..  trans76.83.6-176.800000114.4R80 N81 V82R80-G84 WeakPolarHBondContact CD-O 3.47Å; R80-G84 PolarHBondContact NH1-O 2.81Å; N81-G84 PolarHBondContact O-N 3.48Å; N81-G84 PolarHBondContact OD1-N 3.44Å; V82-G84 PolarHBondContact O-N 3.29Å
85K92Very high85.6Confident109 Ų10943.6 Ų43.647%0.47423%0.228SC..  trans-72.4133.9176.9-178175.7173.1179.40109.5E14 R80 N81 N83 V87E14-K85 VanDerWaalsContact OE2-CD 3.3Å; E14-K85 WeakPolarHBondContact OE2-CD 3.38Å; E14-K85 IonicContact OE2-NZ 3.66Å; E14-K85 PolarHBondContact OE2-NZ 3.23Å; R80-K85 WeakPolarHBondContact CA-O 3.23Å; N81-K85 PolarHBondContact N-O 2.89Å; N81-K85 WeakPolarHBondContact OD1-CB 3.44Å; N81-K85 PolarHBondContact OD1-N 3.5Å; N81-K85 VanDerWaalsContact OD1-N 3.08Å; N81-K85 PolarHBondContact OD1-O 3.42Å; N83-K85 PolarHBondContact O-N 2.81Å; K85-V87 HydrophobicContact CG-CG1 4.43Å; K85-V87 PolarHBondContact O-N 3.07Å
86L91.5Very high84.7Confident56 Ų5646.5 Ų46.529%0.29325%0.248SC..EExtended strand (participates in β ladder)trans-69118.5172.8-178.870.4000108.7E78 R80 V114E78-L86 HydrophobicContact CB-CD1 3.5Å; E78-L86 HydrophobicContact CG-CD1 3.54Å; R80-L86 HydrophobicContact CG-CD1 4.49Å; L86-V114 HydrophobicContact CD1-CG2 4.44Å; L86-V114 HydrophobicContact CD2-CG1 4.44Å; L86-V114 HydrophobicContact CD2-CG2 3.92Å; L86-V114 HydrophobicContact CG-CG2 3.7Å
87V93.2Very high83Confident7 Ų747.7 Ų47.74%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-120.6-27.6-172.5-73.60000113.5I13 L55 V79 N81 K85 P113 V114I13-V87 HydrophobicContact CG2-CB 3.67Å; I13-V87 HydrophobicContact CG2-CG1 3.97Å; I13-V87 HydrophobicContact CG2-CG2 4.37Å; L55-V87 HydrophobicContact CD2-CG2 3.72Å; V79-V87 WeakPolarHBondContact O-CG2 3.21Å; V79-V87 PolarHBondContact O-N 3.46Å; N81-V87 HydrophobicContact CB-CG1 4Å; N81-V87 HydrophobicContact CB-CG2 4.15Å; K85-V87 HydrophobicContact CG-CG1 4.43Å; K85-V87 PolarHBondContact O-N 3.07Å; V87-P113 WeakPolarHBondContact O-CA 3.3Å; V87-V114 PolarHBondContact O-N 3.4Å
88M93.7Very high81Confident0 Ų049.7 Ų49.70%028%0.277CS..EExtended strand (participates in β ladder)trans-139.7157.1177.2-43.8167.355.700110.7L55 V79 L90 V110 E111 A112 M118 L199L55-M88 HydrophobicContact CD1-SD 3.9Å; V79-M88 HydrophobicContact CB-CB 3.76Å; V79-M88 HydrophobicContact CB-CG 4.33Å; V79-M88 HydrophobicContact CG1-SD 4.36Å; V79-M88 HydrophobicContact CG2-CB 3.8Å; V79-M88 PolarHBondContact N-O 3.25Å; V79-M88 PolarHBondContact O-N 3.42Å; M88-L90 HydrophobicContact CB-CD1 4.36Å; M88-L90 HydrophobicContact CE-CD1 4.46Å; M88-V110 HydrophobicContact CE-CG1 3.53Å; M88-E111 CarbonylContact C-O 3.57Å; M88-E111 WeakPolarHBondContact CA-O 3.39Å; M88-E111 VanDerWaalsContact CB-O 3.29Å; M88-E111 WeakPolarHBondContact CB-O 3.49Å; M88-A112 HydrophobicContact CB-CB 4.2Å; M88-A112 HydrophobicContact CE-CB 4.25Å; M88-A112 HydrophobicContact CG-CB 3.69Å; M88-M118 HydrophobicContact CE-CE 3.94Å; M88-L199 HydrophobicContact CE-CB 4.38Å; M88-L199 HydrophobicContact CE-CD2 4.44Å; M88-L199 HydrophobicContact SD-CD2 4Å
89H92.5Very high78.9Confident25 Ų2552.5 Ų52.512%0.11630%0.296CS..EExtended strand (participates in β ladder)trans-130.4130.5172.7-170.3-134.6000109.9D76 M77 Q91 E111 V114D76-H89 VanDerWaalsContact CG-NE2 3.26Å; D76-H89 IonicContact OD1-CD2 2.87Å; D76-H89 IonicContact OD1-CE1 3.71Å; D76-H89 IonicContact OD1-NE2 3.83Å; D76-H89 PolarHBondContact OD1-NE2 3.34Å; D76-H89 IonicContact OD2-CE1 2.8Å; D76-H89 IonicContact OD2-NE2 3.37Å; D76-H89 PolarHBondContact OD2-NE2 2.99Å; M77-H89 PolarHBondContact O-CD2 2.78Å; M77-H89 VanDerWaalsContact O-CD2 3.22Å; H89-Q91 VanDerWaalsContact CE1-CD 3.49Å; H89-Q91 WeakPolarHBondContact CE1-CG 3.47Å; H89-Q91 PolarHBondContact CE1-NE2 2.98Å; H89-Q91 WeakPolarHBondContact ND1-CG 3.3Å; H89-E111 HydrophobicContact CB-CB 4.32Å; H89-E111 PolarHBondContact N-O 3.29Å; H89-E111 PolarHBondContact O-N 3.02Å; H89-V114 HydrophobicContact CB-CG1 4.45Å; H89-V114 HydrophobicContact CB-CG2 4.36Å
90L93.3Very high76.7Confident0 Ų057 Ų570%032%0.323CS..EExtended strand (participates in β ladder)trans-113.5128.4178.1-7659.8000108.1F57 F75 D76 M77 V79 M88 M108 K109 V110 C203F57-L90 HydrophobicContact CD1-CD2 4.08Å; F57-L90 HydrophobicContact CE1-CD1 4.42Å; F57-L90 HydrophobicContact CE1-CD2 4.16Å; F75-L90 HydrophobicContact CE1-CB 4.09Å; F75-L90 HydrophobicContact CE1-CD2 4.2Å; D76-L90 WeakPolarHBondContact CA-O 3.09Å; M77-L90 HydrophobicContact CB-CB 4.18Å; M77-L90 PolarHBondContact N-O 3.42Å; M77-L90 PolarHBondContact O-N 2.9Å; V79-L90 HydrophobicContact CG2-CD1 3.31Å; M88-L90 HydrophobicContact CB-CD1 4.36Å; M88-L90 HydrophobicContact CE-CD1 4.46Å; L90-M108 HydrophobicContact CB-SD 4.37Å; L90-M108 HydrophobicContact CD2-CE 4.46Å; L90-M108 HydrophobicContact CD2-SD 3.75Å; L90-M108 HydrophobicContact CG-SD 4.13Å; L90-K109 WeakPolarHBondContact CA-O 3.19Å; L90-V110 HydrophobicContact CD1-CG1 4.18Å; L90-V110 HydrophobicContact CG-CG1 4.47Å; L90-V110 HydrophobicContact CG-CG2 4.32Å; L90-C203 HydrophobicContact CD2-CB 4.09Å
91Q88.9Confident74.7Confident77 Ų7753.9 Ų53.936%0.3632%0.315SS..EExtended strand (participates in β ladder)trans-127.3132.4179.2-66.7-173.2-37.600111.4F75 H89 M108 K109F75-Q91 CarbonylContact O-C 3.56Å; F75-Q91 WeakPolarHBondContact O-CA 3.36Å; H89-Q91 VanDerWaalsContact CE1-CD 3.49Å; H89-Q91 WeakPolarHBondContact CE1-CG 3.47Å; H89-Q91 PolarHBondContact CE1-NE2 2.98Å; H89-Q91 WeakPolarHBondContact ND1-CG 3.3Å; Q91-M108 CarbonylContact O-C 3.59Å; Q91-M108 WeakPolarHBondContact O-CA 3.49Å; Q91-K109 PolarHBondContact N-O 3.31Å; Q91-K109 PolarHBondContact O-N 3.42Å
92R77.9Confident73Confident4 Ų461.3 Ų61.32%0.01535%0.347CS..EExtended strand (participates in β ladder)trans-122117.8163.1-175.3-172.3173.7-90.3-7.5107.8R73 A74 F75 E107R73-R92 PolarHBondContact O-NH1 3.19Å; A74-R92 VanDerWaalsContact CA-O 3.3Å; A74-R92 WeakPolarHBondContact CA-O 3.44Å; A74-R92 WeakPolarHBondContact CB-O 3.5Å; F75-R92 HydrophobicContact CB-CB 3.55Å; F75-R92 PolarHBondContact N-O 3.35Å; F75-R92 VanDerWaalsContact N-O 3.09Å; F75-R92 PolarHBondContact O-N 3.32Å; R92-E107 WeakPolarHBondContact CG-O 3.49Å
93P68.7Low71.6Confident60 Ų6061 Ų6139%0.3935%0.348SS..  trans-64.9155.6173.127.8-33.8000111.2K95P93-K95 PolarHBondContact O-N 2.83Å
94L55.3Low70.4Confident121 Ų12157.3 Ų57.363%0.63433%0.33SS*.  trans-57.3129.7167.7-73.2165.9000109A74A74-L94 HydrophobicContact CB-CD2 4.14Å; A74-L94 HydrophobicContact CB-CG 3.92Å
95K61.1Low69.4Low46 Ų4657.7 Ų57.720%0.233%0.326CS..  trans-137166.1176.4-75-167.6-171.4-176.40110.2P93 C104 P105 E107P93-K95 PolarHBondContact O-N 2.83Å; K95-C104 HydrophobicContact CB-CB 4.03Å; K95-C104 HydrophobicContact CD-CB 4.16Å; K95-C104 HydrophobicContact CG-CB 4.4Å; K95-P105 WeakPolarHBondContact CD-O 3.49Å; K95-P105 WeakPolarHBondContact CE-O 3.45Å; K95-P105 PolarHBondContact NZ-O 2.95Å; K95-E107 IonicContact NZ-OE2 3Å; K95-E107 PolarHBondContact NZ-OE2 3.31Å
96C51.6Low68.8Low63 Ų6352.9 Ų52.943%0.42631%0.305SS..  trans-45.9146.4-173.1-94.40000114.4A98 C101 C103 C104C96-A98 PolarHBondContact O-N 2.7Å; C96-A98 VanDerWaalsContact O-N 3.09Å; C96-C101 HydrophobicContact CB-CB 3.98Å; C96-C103 VanDerWaalsContact CB-SG 3.57Å; C96-C104 HydrophobicContact CB-CB 4.09Å
97S49Very low68.6Low74 Ų7452 Ų5252%0.51730%0.3SS..SBendtrans-66.4-8.3-172.154.50000116.1R72R72-S97 PolarHBondContact NE-O 2.78Å
98A47.4Very low68.5Low42 Ų4251.7 Ų51.735%0.34730%0.298SS..  trans-91.8123.6-17700000111.3C96 V100 C101C96-A98 PolarHBondContact O-N 2.7Å; C96-A98 VanDerWaalsContact O-N 3.09Å; A98-V100 PolarHBondContact O-N 3.2Å; A98-C101 HydrophobicContact CB-CB 3.87Å; A98-C101 PolarHBondContact O-N 2.83Å
99V48.8Very low68.5Low92 Ų9256.9 Ų56.956%0.55832%0.32SS*.THydrogen-bonded Turntrans-50.6-28.2170.8178.60000111.6
100V48.9Very low68.6Low94 Ų9455.8 Ų55.857%0.5732%0.315SS*.THydrogen-bonded Turntrans-124.444.5178-160.90000110.1A98 F102A98-V100 PolarHBondContact O-N 3.2Å; V100-F102 HydrophobicContact CG1-CE2 4.21Å; V100-F102 HydrophobicContact CG1-CZ 4.11Å; V100-F102 PolarHBondContact O-N 2.81Å
101C52.2Low68.6Low26 Ų2658.3 Ų58.318%0.17633%0.327CS..  trans-74.4106.5168.2-150.70000109.6C96 A98 C103 C104 Y125C96-C101 HydrophobicContact CB-CB 3.98Å; A98-C101 HydrophobicContact CB-CB 3.87Å; A98-C101 PolarHBondContact O-N 2.83Å; C101-C103 HydrophobicContact CB-CB 4.41Å; C101-C103 WeakPolarHBondContact CB-SG 3.41Å; C101-C103 PolarHBondContact O-N 3.39Å; C101-C103 WeakPolarHBondContact SG-CB 3.21Å; C101-C103 CovalentContact SG-SG 2.05Å; C101-C103 PolarHBondContact SG-SG 3.08Å; C101-C104 HydrophobicContact CB-CB 4.49Å; C101-C104 PolarHBondContact O-N 2.87Å; C101-Y125 VanDerWaalsContact O-CZ 3.32Å; C101-Y125 PolarHBondContact O-OH 2.82Å
102F55.9Low68.8Low161 Ų16155.1 Ų55.171%0.70631%0.314SS*.THydrogen-bonded Turntrans-57.9-13.5167.4-64-75.9000113V100 Y125V100-F102 HydrophobicContact CG1-CE2 4.21Å; V100-F102 HydrophobicContact CG1-CZ 4.11Å; V100-F102 PolarHBondContact O-N 2.81Å; F102-Y125 HydrophobicContact CD1-CD1 4.35Å; F102-Y125 HydrophobicContact CD1-CG 4.4Å
103C61.9Low69.3Low77 Ų7757.1 Ų57.152%0.5233%0.328SS..THydrogen-bonded Turntrans-79.4-21.7-179.873.10000115.1C96 C101C96-C103 VanDerWaalsContact CB-SG 3.57Å; C101-C103 HydrophobicContact CB-CB 4.41Å; C101-C103 WeakPolarHBondContact CB-SG 3.41Å; C101-C103 PolarHBondContact O-N 3.39Å; C101-C103 WeakPolarHBondContact SG-CB 3.21Å; C101-C103 CovalentContact SG-SG 2.05Å; C101-C103 PolarHBondContact SG-SG 3.08Å
104C64.8Low70.2Confident33 Ų3357.4 Ų57.422%0.22333%0.328CS..SBendtrans-147.983.8-163-80.20000111.7K95 C96 C101 Y106 Y125K95-C104 HydrophobicContact CB-CB 4.03Å; K95-C104 HydrophobicContact CD-CB 4.16Å; K95-C104 HydrophobicContact CG-CB 4.4Å; C96-C104 HydrophobicContact CB-CB 4.09Å; C101-C104 HydrophobicContact CB-CB 4.49Å; C101-C104 PolarHBondContact O-N 2.87Å; C104-Y106 PolarHBondContact O-N 2.94Å; C104-Y125 PolarHBondContact O-OH 3.41Å
105P68.9Low71.7Confident44 Ų4454.3 Ų54.329%0.28633%0.325SS..  trans-53.1129.6177.420.3-30.3000111.4K95 E107 V122 Y125K95-P105 WeakPolarHBondContact CD-O 3.49Å; K95-P105 WeakPolarHBondContact CE-O 3.45Å; K95-P105 PolarHBondContact NZ-O 2.95Å; P105-E107 PolarHBondContact O-N 2.84Å; P105-V122 HydrophobicContact CB-CG1 4.21Å; P105-Y125 VanDerWaalsContact CA-OH 3.23Å; P105-Y125 WeakPolarHBondContact CA-OH 3.36Å; P105-Y125 HydrophobicContact CB-CD2 4.42Å; P105-Y125 HydrophobicContact CB-CE2 3.65Å; P105-Y125 HydrophobicContact CG-CE2 4.4Å
106Y79Confident73.2Confident8 Ų857.6 Ų57.63%0.03134%0.341CS..  trans-58.8123.6166.5-79-98000107.8C104 Q123 F207 V211C104-Y106 PolarHBondContact O-N 2.94Å; Y106-Q123 PolarHBondContact O-N 3.02Å; Y106-F207 HydrophobicContact CD1-CE2 4.49Å; Y106-V211 HydrophobicContact CD1-CG2 3.83Å; Y106-V211 HydrophobicContact CE1-CG2 4.31Å; Y106-V211 HydrophobicContact CG-CG2 4.28Å
107E87.2Confident75.1Confident39 Ų3959 Ų5918%0.18235%0.349CS..EExtended strand (participates in β ladder)trans-141.1129-176.6171-178.1-173.100109.3R92 K95 P105 K109 I121 V122R92-E107 WeakPolarHBondContact CG-O 3.49Å; K95-E107 IonicContact NZ-OE2 3Å; K95-E107 PolarHBondContact NZ-OE2 3.31Å; P105-E107 PolarHBondContact O-N 2.84Å; E107-K109 HydrophobicContact CG-CG 4.48Å; E107-K109 VanDerWaalsContact OE1-CE 3.28Å; E107-K109 WeakPolarHBondContact OE1-CE 3.43Å; E107-I121 CarbonylContact C-O 3.47Å; E107-I121 VanDerWaalsContact CA-O 3.28Å; E107-I121 WeakPolarHBondContact CA-O 3.43Å; E107-V122 HydrophobicContact CB-CG2 4.49Å; E107-V122 HydrophobicContact CG-CG2 4.08Å
108M91.6Very high77.3Confident0 Ų055.7 Ų55.70%033%0.326CS..EExtended strand (participates in β ladder)trans-113.4124.5170.9177.7-178-71.900108.5F75 L90 Q91 V110 S120 I121 C203 F207F75-M108 HydrophobicContact CD1-CE 3.87Å; F75-M108 HydrophobicContact CE1-CE 3.47Å; F75-M108 VanDerWaalsContact CE1-CE 3.47Å; F75-M108 HydrophobicContact CZ-CE 3.9Å; L90-M108 HydrophobicContact CB-SD 4.37Å; L90-M108 HydrophobicContact CD2-CE 4.46Å; L90-M108 HydrophobicContact CD2-SD 3.75Å; L90-M108 HydrophobicContact CG-SD 4.13Å; Q91-M108 CarbonylContact O-C 3.59Å; Q91-M108 WeakPolarHBondContact O-CA 3.49Å; M108-V110 HydrophobicContact CG-CG2 4.34Å; M108-S120 CarbonylContact O-C 3.54Å; M108-S120 WeakPolarHBondContact O-CA 3.48Å; M108-S120 WeakPolarHBondContact O-CB 3.33Å; M108-I121 HydrophobicContact CB-CB 4.46Å; M108-I121 PolarHBondContact N-O 2.92Å; M108-I121 PolarHBondContact O-N 2.92Å; M108-I121 HydrophobicContact SD-CD1 4.04Å; M108-C203 HydrophobicContact SD-CB 4.3Å; M108-F207 HydrophobicContact CB-CD1 4.37Å; M108-F207 HydrophobicContact CB-CD2 4.26Å; M108-F207 HydrophobicContact CB-CE1 4.35Å; M108-F207 HydrophobicContact CB-CE2 4.25Å; M108-F207 HydrophobicContact CB-CG 4.28Å; M108-F207 HydrophobicContact CB-CZ 4.25Å; M108-F207 HydrophobicContact CE-CB 3.55Å; M108-F207 HydrophobicContact CE-CD2 3.58Å; M108-F207 HydrophobicContact CE-CE2 4.44Å; M108-F207 HydrophobicContact CE-CG 3.79Å; M108-F207 HydrophobicContact SD-CB 4.12Å; M108-F207 HydrophobicContact SD-CG 4.46Å
109K93.7Very high79.6Confident109 Ų10954.1 Ų54.147%0.47431%0.314SS..EExtended strand (participates in β ladder)trans-93.2142.3171-62.4-170.9177.1-167.20109.4L90 Q91 E107L90-K109 WeakPolarHBondContact CA-O 3.19Å; Q91-K109 PolarHBondContact N-O 3.31Å; Q91-K109 PolarHBondContact O-N 3.42Å; E107-K109 HydrophobicContact CG-CG 4.48Å; E107-K109 VanDerWaalsContact OE1-CE 3.28Å; E107-K109 WeakPolarHBondContact OE1-CE 3.43Å
110V95.1Very high81.9Confident1 Ų150 Ų501%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-127.7123.8-178-171.50000109M88 L90 M108 M118 G119 L200 C203M88-V110 HydrophobicContact CE-CG1 3.53Å; L90-V110 HydrophobicContact CD1-CG1 4.18Å; L90-V110 HydrophobicContact CG-CG1 4.47Å; L90-V110 HydrophobicContact CG-CG2 4.32Å; M108-V110 HydrophobicContact CG-CG2 4.34Å; V110-M118 HydrophobicContact CB-CE 4.15Å; V110-M118 HydrophobicContact CG1-CE 3.47Å; V110-M118 VanDerWaalsContact CG1-CE 3.47Å; V110-M118 PolarHBondContact O-N 3.09Å; V110-G119 PolarHBondContact N-O 2.79Å; V110-G119 PolarHBondContact O-N 2.76Å; V110-L200 HydrophobicContact CB-CD2 3.81Å; V110-L200 HydrophobicContact CG1-CD2 4.29Å; V110-L200 HydrophobicContact CG2-CD2 3.67Å; V110-C203 HydrophobicContact CG2-CB 4.27Å
111E93.3Very high84.1Confident53 Ų5345.6 Ų45.625%0.24826%0.262CS..EExtended strand (participates in β ladder)trans-107.9131.8173.4-61.7-178.5173.200109.8M88 H89 G115 E116M88-E111 CarbonylContact C-O 3.57Å; M88-E111 WeakPolarHBondContact CA-O 3.39Å; M88-E111 VanDerWaalsContact CB-O 3.29Å; M88-E111 WeakPolarHBondContact CB-O 3.49Å; H89-E111 HydrophobicContact CB-CB 4.32Å; H89-E111 PolarHBondContact N-O 3.29Å; H89-E111 PolarHBondContact O-N 3.02Å; E111-G115 WeakPolarHBondContact OE2-CA 3.25Å; E111-G115 PolarHBondContact OE2-N 3.5Å; E111-E116 CarbonylContact C-O 3.45Å; E111-E116 WeakPolarHBondContact CA-O 3.45Å; E111-E116 WeakPolarHBondContact CB-O 3.31Å
112A92.1Very high86Confident11 Ų1145.2 Ų45.29%0.09126%0.259CS..SBendtrans-162.3118.5176.700000111.5I13 M88 E116 M118I13-A112 HydrophobicContact CD1-CB 3.5Å; I13-A112 VanDerWaalsContact CD1-CB 3.5Å; I13-A112 HydrophobicContact CG1-CB 4.19Å; M88-A112 HydrophobicContact CB-CB 4.2Å; M88-A112 HydrophobicContact CE-CB 4.25Å; M88-A112 HydrophobicContact CG-CB 3.69Å; A112-E116 PolarHBondContact N-O 3.4Å; A112-M118 HydrophobicContact CB-CB 4.01Å; A112-M118 HydrophobicContact CB-CG 4.34Å; A112-M118 HydrophobicContact CB-SD 3.64Å
113P89.5Confident87.5Confident46 Ų4638.3 Ų38.330%0.29923%0.229SC..SBendcis-59.1168.1-8.229.4-36.5000111.9V87 G115 E116V87-P113 WeakPolarHBondContact O-CA 3.3Å; P113-G115 PolarHBondContact O-N 2.9Å; P113-E116 WeakPolarHBondContact CD-OE2 3.2Å; P113-E116 HydrophobicContact CG-CB 4.32Å; P113-E116 HydrophobicContact CG-CG 4.17Å; P113-E116 PolarHBondContact O-N 3.19Å
114V88Confident88.6Confident66 Ų6637 Ų3740%0.422%0.217SC..THydrogen-bonded Turntrans-54.7131.7-178.5177.10000111.4L86 V87 H89L86-V114 HydrophobicContact CD1-CG2 4.44Å; L86-V114 HydrophobicContact CD2-CG1 4.44Å; L86-V114 HydrophobicContact CD2-CG2 3.92Å; L86-V114 HydrophobicContact CG-CG2 3.7Å; V87-V114 PolarHBondContact O-N 3.4Å; H89-V114 HydrophobicContact CB-CG1 4.45Å; H89-V114 HydrophobicContact CB-CG2 4.36Å
115G86.7Confident88.6Confident55 Ų5538 Ų3857%0.56722%0.216SC*.THydrogen-bonded Turntrans90.5-10.1-175.400000114.8E111 P113E111-G115 WeakPolarHBondContact OE2-CA 3.25Å; E111-G115 PolarHBondContact OE2-N 3.5Å; P113-G115 PolarHBondContact O-N 2.9Å
116E91.4Very high88.3Confident115 Ų11537.6 Ų37.654%0.53722%0.221SC..SBendtrans-109.2123.2175.3-66.5-172.8-173.200110.8E111 A112 P113 M118E111-E116 CarbonylContact C-O 3.45Å; E111-E116 WeakPolarHBondContact CA-O 3.45Å; E111-E116 WeakPolarHBondContact CB-O 3.31Å; A112-E116 PolarHBondContact N-O 3.4Å; P113-E116 WeakPolarHBondContact CD-OE2 3.2Å; P113-E116 HydrophobicContact CG-CB 4.32Å; P113-E116 HydrophobicContact CG-CG 4.17Å; P113-E116 PolarHBondContact O-N 3.19Å; E116-M118 PolarHBondContact O-N 2.87Å
117P92.9Very high86.9Confident92 Ų9248.2 Ų48.260%0.59726%0.261SS*.EExtended strand (participates in β ladder)trans-65.6119.9178.527.2-33.1000110.2W137P117-W137 VanDerWaalsContact O-CB 3.23Å; P117-W137 WeakPolarHBondContact O-CB 3.38Å
118M94.5Very high85.6Confident5 Ų550.3 Ų50.33%0.02527%0.27CS..EExtended strand (participates in β ladder)trans-93.5-36.8174.6-176.5-1777700111.3M88 V110 A112 E116 W137 R196 L199 L200M88-M118 HydrophobicContact CE-CE 3.94Å; V110-M118 HydrophobicContact CB-CE 4.15Å; V110-M118 HydrophobicContact CG1-CE 3.47Å; V110-M118 VanDerWaalsContact CG1-CE 3.47Å; V110-M118 PolarHBondContact O-N 3.09Å; A112-M118 HydrophobicContact CB-CB 4.01Å; A112-M118 HydrophobicContact CB-CG 4.34Å; A112-M118 HydrophobicContact CB-SD 3.64Å; E116-M118 PolarHBondContact O-N 2.87Å; M118-W137 PolarHBondContact O-N 3.05Å; M118-R196 HydrophobicContact CG-CB 4.15Å; M118-R196 HydrophobicContact CG-CG 4.2Å; M118-R196 HydrophobicContact SD-CB 4.2Å; M118-R196 HydrophobicContact SD-CG 4.36Å; M118-L199 HydrophobicContact CE-CB 3.8Å; M118-L199 HydrophobicContact SD-CB 4.19Å; M118-L199 HydrophobicContact SD-CD1 4.1Å; M118-L200 HydrophobicContact CE-CD2 3.51Å; M118-L200 HydrophobicContact CE-CG 3.78Å
119G96.1Very high84.3Confident9 Ų951 Ų519%0.09328%0.276CS..EExtended strand (participates in β ladder)trans165.3-168.8-179.200000113.5V110 K135V110-G119 PolarHBondContact N-O 2.79Å; V110-G119 PolarHBondContact O-N 2.76Å; G119-K135 CarbonylContact C-O 3.56Å; G119-K135 WeakPolarHBondContact CA-O 3.47Å
120S95.9Very high83.7Confident6 Ų648.1 Ų48.14%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-146.5158.9178.865.20000113.3M108 L134 K135M108-S120 CarbonylContact O-C 3.54Å; M108-S120 WeakPolarHBondContact O-CA 3.48Å; M108-S120 WeakPolarHBondContact O-CB 3.33Å; S120-L134 WeakPolarHBondContact O-CA 3.29Å; S120-K135 PolarHBondContact N-O 3.23Å; S120-K135 PolarHBondContact O-N 2.94Å
121I95.3Very high83.4Confident1 Ų149.5 Ų49.51%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-119117.3174.3-55.8147.8000107.6E107 M108 F132 Y133 L134 C203 A204 F207E107-I121 CarbonylContact C-O 3.47Å; E107-I121 VanDerWaalsContact CA-O 3.28Å; E107-I121 WeakPolarHBondContact CA-O 3.43Å; M108-I121 HydrophobicContact CB-CB 4.46Å; M108-I121 PolarHBondContact N-O 2.92Å; M108-I121 PolarHBondContact O-N 2.92Å; M108-I121 HydrophobicContact SD-CD1 4.04Å; I121-F132 HydrophobicContact CG2-CB 4.22Å; I121-F132 HydrophobicContact CG2-CD1 4.35Å; I121-Y133 CarbonylContact C-O 3.58Å; I121-Y133 WeakPolarHBondContact CA-O 3.1Å; I121-L134 HydrophobicContact CG1-CD1 4.07Å; I121-L134 HydrophobicContact CG1-CG 4.16Å; I121-L134 HydrophobicContact CG2-CD1 4.01Å; I121-C203 HydrophobicContact CD1-CB 3.81Å; I121-A204 HydrophobicContact CD1-CB 3.91Å; I121-A204 HydrophobicContact CG1-CB 4.33Å; I121-A204 HydrophobicContact CG2-CB 4.34Å; I121-F207 HydrophobicContact CB-CD1 4.14Å; I121-F207 HydrophobicContact CB-CE1 4.38Å; I121-F207 HydrophobicContact CG2-CD1 3.61Å; I121-F207 HydrophobicContact CG2-CE1 3.97Å
122V91.5Very high83.4Confident18 Ų1847 Ų4711%0.10926%0.262CS..EExtended strand (participates in β ladder)trans-123.7129.6-172.2-1720000110.4P105 E107 F132 Y133 K135P105-V122 HydrophobicContact CB-CG1 4.21Å; E107-V122 HydrophobicContact CB-CG2 4.49Å; E107-V122 HydrophobicContact CG-CG2 4.08Å; V122-F132 CarbonylContact O-C 3.55Å; V122-F132 VanDerWaalsContact O-CA 3.27Å; V122-F132 WeakPolarHBondContact O-CA 3.48Å; V122-Y133 PolarHBondContact N-O 2.87Å; V122-Y133 PolarHBondContact O-N 2.81Å; V122-K135 HydrophobicContact CG2-CD 4.24Å
123Q87.8Confident83.6Confident17 Ų1748.8 Ų48.88%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-71.8131.7171.8-169.8179.923.200111Y106 G129 F132Y106-Q123 PolarHBondContact O-N 3.02Å; Q123-G129 PolarHBondContact NE2-O 3.21Å; Q123-F132 HydrophobicContact CB-CD1 3.86Å; Q123-F132 HydrophobicContact CB-CE1 3.71Å; Q123-F132 HydrophobicContact CB-CZ 4.42Å; Q123-F132 HydrophobicContact CG-CD1 4.26Å; Q123-F132 HydrophobicContact CG-CE1 3.88Å; Q123-F132 HydrophobicContact CG-CZ 4.09Å
124N85.1Confident83.9Confident50 Ų5046.6 Ų46.627%0.26725%0.252SS..EExtended strand (participates in β ladder)trans-98.1127.1172.5-177.321.1000112G126 G129 T131 Y133N124-G126 VanDerWaalsContact C-N 3.31Å; N124-G126 PolarHBondContact O-N 3.09Å; N124-G126 PolarHBondContact OD1-N 2.93Å; N124-G129 WeakPolarHBondContact O-CA 3.24Å; N124-T131 HydrophobicContact CB-CG2 4.46Å; N124-T131 PolarHBondContact N-O 3.06Å; N124-Y133 HydrophobicContact CB-CD2 3.8Å; N124-Y133 HydrophobicContact CB-CE2 3.38Å; N124-Y133 WeakPolarHBondContact ND2-CE2 3.41Å; N124-Y133 VanDerWaalsContact ND2-CZ 3.25Å; N124-Y133 PolarHBondContact ND2-OH 3.28Å
125Y64.4Low84.4Confident52 Ų5245.7 Ų45.720%0.20424%0.243CC..  trans-89.446176.7-60.8-69.4000113.8C101 F102 C104 P105C101-Y125 VanDerWaalsContact O-CZ 3.32Å; C101-Y125 PolarHBondContact O-OH 2.82Å; F102-Y125 HydrophobicContact CD1-CD1 4.35Å; F102-Y125 HydrophobicContact CD1-CG 4.4Å; C104-Y125 PolarHBondContact O-OH 3.41Å; P105-Y125 VanDerWaalsContact CA-OH 3.23Å; P105-Y125 WeakPolarHBondContact CA-OH 3.36Å; P105-Y125 HydrophobicContact CB-CD2 4.42Å; P105-Y125 HydrophobicContact CB-CE2 3.65Å; P105-Y125 HydrophobicContact CG-CE2 4.4Å
126G64.4Low84.9Confident37 Ų3743.8 Ų43.838%0.38122%0.22SC..SBendtrans-54.6173.1156.300000110.5N124 F128 G129N124-G126 VanDerWaalsContact C-N 3.31Å; N124-G126 PolarHBondContact O-N 3.09Å; N124-G126 PolarHBondContact OD1-N 2.93Å; G126-F128 PolarHBondContact O-N 3.18Å; G126-G129 PolarHBondContact O-N 3.33Å
127R48.9Very low85Confident230 Ų23044 Ų4487%0.86822%0.215SC*.THydrogen-bonded Turntrans-42.7-19.9-171.1-167.8177.9171.8104.6-1.4116.8
128F58.6Low85.1Confident84 Ų8444.4 Ų44.437%0.36821%0.213SC..THydrogen-bonded Turntrans-1333.7179.8-53.2-73.5000116.1G126 H130 W149G126-F128 PolarHBondContact O-N 3.18Å; F128-H130 VanDerWaalsContact CB-CD2 3.44Å; F128-H130 WeakPolarHBondContact CB-CD2 3.44Å; F128-H130 PolarHBondContact O-CD2 3.32Å; F128-H130 PolarHBondContact O-CE1 3.46Å; F128-H130 PolarHBondContact O-N 2.96Å; F128-H130 PolarHBondContact O-NE2 3.07Å; F128-W149 HydrophobicContact CD1-CZ2 4.26Å; F128-W149 AromaticContact CD1-NE1 3.79Å; F128-W149 HydrophobicContact CD2-CD2 4.25Å; F128-W149 AromaticContact CD2-CE2 3.84Å; F128-W149 HydrophobicContact CD2-CE3 4.44Å; F128-W149 AromaticContact CD2-CH2 3.96Å; F128-W149 HydrophobicContact CD2-CH2 3.96Å; F128-W149 AromaticContact CD2-CZ2 3.74Å; F128-W149 HydrophobicContact CD2-CZ2 3.74Å; F128-W149 HydrophobicContact CD2-CZ3 4.29Å; F128-W149 AromaticContact CE1-CE2 3.87Å; F128-W149 AromaticContact CE1-CZ2 3.67Å; F128-W149 HydrophobicContact CE1-CZ2 3.67Å; F128-W149 AromaticContact CE1-NE1 3.78Å; F128-W149 HydrophobicContact CE2-CD2 4.39Å; F128-W149 AromaticContact CE2-CE2 3.65Å; F128-W149 HydrophobicContact CE2-CE3 4.5Å; F128-W149 AromaticContact CE2-CH2 3.24Å; F128-W149 HydrophobicContact CE2-CH2 3.24Å; F128-W149 AromaticContact CE2-CZ2 3.07Å; F128-W149 HydrophobicContact CE2-CZ2 3.07Å; F128-W149 AromaticContact CE2-CZ3 3.97Å; F128-W149 HydrophobicContact CE2-CZ3 3.97Å; F128-W149 HydrophobicContact CG-CZ2 4.29Å; F128-W149 AromaticContact CZ-CE2 3.67Å; F128-W149 AromaticContact CZ-CH2 3.65Å; F128-W149 HydrophobicContact CZ-CH2 3.65Å; F128-W149 AromaticContact CZ-CZ2 3.02Å; F128-W149 HydrophobicContact CZ-CZ2 3.02Å
129G65.7Low85.1Confident14 Ų1449 Ų4914%0.14424%0.238CC..SBendtrans6311.9172.600000117.2Q123 N124 G126Q123-G129 PolarHBondContact NE2-O 3.21Å; N124-G129 WeakPolarHBondContact O-CA 3.24Å; G126-G129 PolarHBondContact O-N 3.33Å
130H79.6Confident85.2Confident48 Ų4852.7 Ų52.722%0.22226%0.255CS..  trans-92.612.6-176.2-58.8-57.7000114.4F128 G147 W149 Y212F128-H130 VanDerWaalsContact CB-CD2 3.44Å; F128-H130 WeakPolarHBondContact CB-CD2 3.44Å; F128-H130 PolarHBondContact O-CD2 3.32Å; F128-H130 PolarHBondContact O-CE1 3.46Å; F128-H130 PolarHBondContact O-N 2.96Å; F128-H130 PolarHBondContact O-NE2 3.07Å; H130-G147 PolarHBondContact O-N 2.93Å; H130-W149 PolarHBondContact NE2-O 3.3Å; H130-Y212 PolarHBondContact ND1-OH 3.38Å
131T89.9Confident85.3Confident31 Ų3154.8 Ų54.819%0.1927%0.265CS..EExtended strand (participates in β ladder)trans-112.8136.2-179.2-57.60000109.9N124 Y133 D144 I145 K146N124-T131 HydrophobicContact CB-CG2 4.46Å; N124-T131 PolarHBondContact N-O 3.06Å; T131-Y133 HydrophobicContact CG2-CD1 4.28Å; T131-Y133 HydrophobicContact CG2-CE1 3.85Å; T131-D144 HydrophobicContact CG2-CB 4.44Å; T131-I145 CarbonylContact C-O 3.59Å; T131-I145 VanDerWaalsContact CA-O 3.26Å; T131-I145 WeakPolarHBondContact CA-O 3.36Å; T131-K146 HydrophobicContact CG2-CG 4.12Å
132F93.1Very high85.4Confident1 Ų157.7 Ų57.70%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-118.8141.7170.2-60.5-103000108.8I121 V122 Q123 D144 I145 F207 L208 V211 Y212I121-F132 HydrophobicContact CG2-CB 4.22Å; I121-F132 HydrophobicContact CG2-CD1 4.35Å; V122-F132 CarbonylContact O-C 3.55Å; V122-F132 VanDerWaalsContact O-CA 3.27Å; V122-F132 WeakPolarHBondContact O-CA 3.48Å; Q123-F132 HydrophobicContact CB-CD1 3.86Å; Q123-F132 HydrophobicContact CB-CE1 3.71Å; Q123-F132 HydrophobicContact CB-CZ 4.42Å; Q123-F132 HydrophobicContact CG-CD1 4.26Å; Q123-F132 HydrophobicContact CG-CE1 3.88Å; Q123-F132 HydrophobicContact CG-CZ 4.09Å; F132-D144 CarbonylContact O-C 3.54Å; F132-D144 WeakPolarHBondContact O-CA 3.28Å; F132-I145 HydrophobicContact CB-CB 4.25Å; F132-I145 PolarHBondContact N-O 2.93Å; F132-I145 PolarHBondContact O-N 3.2Å; F132-F207 HydrophobicContact CD1-CD1 4.15Å; F132-F207 AromaticContact CD1-CE1 3.92Å; F132-F207 HydrophobicContact CD1-CE1 3.92Å; F132-F207 HydrophobicContact CE1-CD1 4.17Å; F132-F207 AromaticContact CE1-CE1 3.89Å; F132-F207 HydrophobicContact CE1-CE1 3.89Å; F132-L208 HydrophobicContact CD2-CD2 3.84Å; F132-L208 HydrophobicContact CE2-CD2 3.48Å; F132-L208 VanDerWaalsContact CE2-CD2 3.48Å; F132-L208 HydrophobicContact CZ-CD2 3.88Å; F132-V211 HydrophobicContact CZ-CG1 4.19Å; F132-Y212 AromaticContact CE2-CE2 3.91Å; F132-Y212 HydrophobicContact CE2-CE2 3.91Å; F132-Y212 HydrophobicContact CZ-CE2 4.06Å
133Y95.4Very high85.7Confident48 Ų4857.1 Ų57.119%0.18828%0.277CS..EExtended strand (participates in β ladder)trans-104.4132.9174.9-66.2-40.7000109.4I121 V122 N124 T131 I141 L143 D144I121-Y133 CarbonylContact C-O 3.58Å; I121-Y133 WeakPolarHBondContact CA-O 3.1Å; V122-Y133 PolarHBondContact N-O 2.87Å; V122-Y133 PolarHBondContact O-N 2.81Å; N124-Y133 HydrophobicContact CB-CD2 3.8Å; N124-Y133 HydrophobicContact CB-CE2 3.38Å; N124-Y133 WeakPolarHBondContact ND2-CE2 3.41Å; N124-Y133 VanDerWaalsContact ND2-CZ 3.25Å; N124-Y133 PolarHBondContact ND2-OH 3.28Å; T131-Y133 HydrophobicContact CG2-CD1 4.28Å; T131-Y133 HydrophobicContact CG2-CE1 3.85Å; Y133-I141 HydrophobicContact CD1-CG2 3.76Å; Y133-I141 HydrophobicContact CD2-CD1 3.85Å; Y133-I141 HydrophobicContact CE2-CD1 4.16Å; Y133-I141 HydrophobicContact CG-CD1 4.06Å; Y133-I141 HydrophobicContact CG-CG1 4.47Å; Y133-I141 HydrophobicContact CG-CG2 3.87Å; Y133-L143 WeakPolarHBondContact CA-O 3.4Å; Y133-D144 HydrophobicContact CD1-CB 4.46Å; Y133-D144 VanDerWaalsContact CD1-OD1 3.22Å; Y133-D144 WeakPolarHBondContact CD1-OD1 3.26Å; Y133-D144 HydrophobicContact CE1-CB 4.46Å; Y133-D144 WeakPolarHBondContact CE1-OD1 3.08Å
134L97.7Very high86.1Confident0 Ų056.7 Ų56.70%028%0.275CS..EExtended strand (participates in β ladder)trans-95.9124.4166.9-87.257.3000107.5S120 I121 D142 L143 I145 M197 L200 L201 A204S120-L134 WeakPolarHBondContact O-CA 3.29Å; I121-L134 HydrophobicContact CG1-CD1 4.07Å; I121-L134 HydrophobicContact CG1-CG 4.16Å; I121-L134 HydrophobicContact CG2-CD1 4.01Å; L134-D142 PolarHBondContact O-N 2.86Å; L134-L143 HydrophobicContact CB-CB 4.13Å; L134-L143 HydrophobicContact CD2-CB 4.42Å; L134-L143 HydrophobicContact CD2-CD1 4.05Å; L134-L143 PolarHBondContact N-O 3.42Å; L134-L143 PolarHBondContact O-N 3.27Å; L134-I145 HydrophobicContact CD1-CD1 3.45Å; L134-I145 VanDerWaalsContact CD1-CD1 3.45Å; L134-I145 HydrophobicContact CD1-CG1 3.94Å; L134-M197 HydrophobicContact CB-SD 4.47Å; L134-L200 HydrophobicContact CB-CD1 4.32Å; L134-L200 HydrophobicContact CD2-CB 3.6Å; L134-L200 HydrophobicContact CG-CB 3.95Å; L134-L200 HydrophobicContact CG-CD1 4.4Å; L134-L201 HydrophobicContact CD2-CD2 3.62Å; L134-L201 HydrophobicContact CD2-CG 3.77Å; L134-A204 HydrophobicContact CD1-CB 4.41Å
135K97.4Very high86.6Confident47 Ų4754.3 Ų54.320%0.20426%0.262CS..EExtended strand (participates in β ladder)trans-111.4144.3177.9-56.6-177.5178.7-173.10111.6G119 S120 V122 D139 N140 I141 L200G119-K135 CarbonylContact C-O 3.56Å; G119-K135 WeakPolarHBondContact CA-O 3.47Å; S120-K135 PolarHBondContact N-O 3.23Å; S120-K135 PolarHBondContact O-N 2.94Å; V122-K135 HydrophobicContact CG2-CD 4.24Å; K135-D139 HydrophobicContact CD-CB 4.43Å; K135-D139 IonicContact NZ-OD1 3.7Å; K135-N140 CarbonylContact C-O 3.59Å; K135-N140 WeakPolarHBondContact CA-O 3.26Å; K135-N140 WeakPolarHBondContact CB-O 3.44Å; K135-I141 HydrophobicContact CG-CG1 4.13Å; K135-L200 WeakPolarHBondContact O-CD1 3.3Å
136D96.4Very high88Confident15 Ų1554.8 Ų54.88%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-72.1-175.4168.370.67.9000112.2N138 D139 N140 D142 M197D136-N138 PolarHBondContact O-N 2.92Å; D136-N138 VanDerWaalsContact OD1-C 3.28Å; D136-N138 VanDerWaalsContact OD1-CA 3.31Å; D136-N138 WeakPolarHBondContact OD1-CA 3.42Å; D136-N138 WeakPolarHBondContact OD1-CB 3.28Å; D136-N138 PolarHBondContact OD1-N 2.86Å; D136-D139 PolarHBondContact O-N 2.74Å; D136-D139 PolarHBondContact OD1-N 3.47Å; D136-N140 PolarHBondContact N-O 3.31Å; D136-N140 WeakPolarHBondContact OD1-CB 3.06Å; D136-N140 PolarHBondContact OD1-N 3.21Å; D136-N140 PolarHBondContact OD2-ND2 2.86Å; D136-D142 WeakPolarHBondContact CB-OD2 2.85Å; D136-M197 HydrophobicContact CB-CE 4.35Å
137W94.3Very high89.1Confident118 Ų11853.9 Ų53.945%0.44726%0.256SS..THydrogen-bonded Turntrans-69.3-12.6177.36288.1000114.2P117 M118 R196P117-W137 VanDerWaalsContact O-CB 3.23Å; P117-W137 WeakPolarHBondContact O-CB 3.38Å; M118-W137 PolarHBondContact O-N 3.05Å; W137-R196 VanDerWaalsContact CZ3-CD 3.48Å
138N95.6Very high90.7Very high101 Ų10144.8 Ų44.854%0.5423%0.227SC..THydrogen-bonded Turntrans-99.49.3175.4-65.7-45.2000112.4D136 N140D136-N138 PolarHBondContact O-N 2.92Å; D136-N138 VanDerWaalsContact OD1-C 3.28Å; D136-N138 VanDerWaalsContact OD1-CA 3.31Å; D136-N138 WeakPolarHBondContact OD1-CA 3.42Å; D136-N138 WeakPolarHBondContact OD1-CB 3.28Å; D136-N138 PolarHBondContact OD1-N 2.86Å; N138-N140 WeakPolarHBondContact CB-ND2 3.23Å; N138-N140 PolarHBondContact O-N 3.31Å
139D95.2Very high91.2Very high103 Ų10348.1 Ų48.155%0.55124%0.237SC*.  trans65.414.8-174.3-80-56.6000115.5K135 D136K135-D139 HydrophobicContact CD-CB 4.43Å; K135-D139 IonicContact NZ-OD1 3.7Å; D136-D139 PolarHBondContact O-N 2.74Å; D136-D139 PolarHBondContact OD1-N 3.47Å
140N97.5Very high91.2Very high86 Ų8654.2 Ų54.246%0.4626%0.26SS..  trans-73.6138.2172.3-57.5-54.1000110.2K135 D136 N138 D142K135-N140 CarbonylContact C-O 3.59Å; K135-N140 WeakPolarHBondContact CA-O 3.26Å; K135-N140 WeakPolarHBondContact CB-O 3.44Å; D136-N140 PolarHBondContact N-O 3.31Å; D136-N140 WeakPolarHBondContact OD1-CB 3.06Å; D136-N140 PolarHBondContact OD1-N 3.21Å; D136-N140 PolarHBondContact OD2-ND2 2.86Å; N138-N140 WeakPolarHBondContact CB-ND2 3.23Å; N138-N140 PolarHBondContact O-N 3.31Å; N140-D142 PolarHBondContact O-N 2.93Å
141I97.2Very high90.3Very high50 Ų5054.1 Ų54.126%0.25627%0.265SS..EExtended strand (participates in β ladder)trans-84.8114.5176.2-55169.2000109.3Y133 K135 H165Y133-I141 HydrophobicContact CD1-CG2 3.76Å; Y133-I141 HydrophobicContact CD2-CD1 3.85Å; Y133-I141 HydrophobicContact CE2-CD1 4.16Å; Y133-I141 HydrophobicContact CG-CD1 4.06Å; Y133-I141 HydrophobicContact CG-CG1 4.47Å; Y133-I141 HydrophobicContact CG-CG2 3.87Å; K135-I141 HydrophobicContact CG-CG1 4.13Å; I141-H165 HydrophobicContact CG2-CB 4Å; I141-H165 VanDerWaalsContact CG2-ND1 3.32Å; I141-H165 WeakPolarHBondContact CG2-ND1 3.17Å; I141-H165 VanDerWaalsContact O-CB 3.23Å; I141-H165 WeakPolarHBondContact O-CB 3.43Å
142D97.9Very high88.6Confident61 Ų6161.8 Ų61.833%0.32629%0.292SS..EExtended strand (participates in β ladder)trans-97.5-40.7-179.7-69.6-42.5000112.6L134 D136 N140 H165 M197L134-D142 PolarHBondContact O-N 2.86Å; D136-D142 WeakPolarHBondContact CB-OD2 2.85Å; N140-D142 PolarHBondContact O-N 2.93Å; D142-H165 WeakPolarHBondContact O-CB 3.29Å; D142-H165 PolarHBondContact O-N 3.13Å; D142-M197 HydrophobicContact CB-CE 4.42Å; D142-M197 HydrophobicContact CB-SD 3.84Å; D142-M197 VanDerWaalsContact OD2-CE 3.28Å; D142-M197 WeakPolarHBondContact OD2-CE 3.43Å
143L98.3Very high86.8Confident6 Ų664.7 Ų64.73%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-132.1147.8-176.4-54.9175.8000112.7Y133 L134 I162 Y163 I171 L193 M197 L201Y133-L143 WeakPolarHBondContact CA-O 3.4Å; L134-L143 HydrophobicContact CB-CB 4.13Å; L134-L143 HydrophobicContact CD2-CB 4.42Å; L134-L143 HydrophobicContact CD2-CD1 4.05Å; L134-L143 PolarHBondContact N-O 3.42Å; L134-L143 PolarHBondContact O-N 3.27Å; L143-I162 HydrophobicContact CB-CG2 4.49Å; L143-I162 HydrophobicContact CD1-CG2 4.22Å; L143-Y163 CarbonylContact C-O 3.52Å; L143-Y163 VanDerWaalsContact CA-O 3.23Å; L143-Y163 WeakPolarHBondContact CA-O 3.42Å; L143-I171 HydrophobicContact CD2-CD1 3.76Å; L143-L193 HydrophobicContact CD1-CD2 4.29Å; L143-M197 HydrophobicContact CD1-CB 4.02Å; L143-M197 HydrophobicContact CD1-CG 4.38Å; L143-M197 HydrophobicContact CD1-SD 4.32Å; L143-M197 HydrophobicContact CG-SD 4.45Å; L143-L201 HydrophobicContact CD1-CD1 4.07Å; L143-L201 HydrophobicContact CD1-CD2 4.29Å; L143-L201 HydrophobicContact CD1-CG 4.2Å
144D96Very high84.8Confident8 Ų867.9 Ų67.94%0.04334%0.338CS..EExtended strand (participates in β ladder)trans-107.5133.2167.5-54.9-14.4000110.1T131 F132 Y133 K146 I162 Y163 H165T131-D144 HydrophobicContact CG2-CB 4.44Å; F132-D144 CarbonylContact O-C 3.54Å; F132-D144 WeakPolarHBondContact O-CA 3.28Å; Y133-D144 HydrophobicContact CD1-CB 4.46Å; Y133-D144 VanDerWaalsContact CD1-OD1 3.22Å; Y133-D144 WeakPolarHBondContact CD1-OD1 3.26Å; Y133-D144 HydrophobicContact CE1-CB 4.46Å; Y133-D144 WeakPolarHBondContact CE1-OD1 3.08Å; D144-K146 HydrophobicContact CB-CG 4.41Å; D144-K146 WeakPolarHBondContact OD2-CE 3.33Å; D144-K146 IonicContact OD2-NZ 3.37Å; D144-K146 PolarHBondContact OD2-NZ 2.96Å; D144-I162 CarbonylContact O-C 3.51Å; D144-I162 WeakPolarHBondContact O-CA 3.45Å; D144-Y163 PolarHBondContact N-O 2.81Å; D144-Y163 PolarHBondContact O-N 2.71Å; D144-H165 IonicContact OD1-CE1 3.76Å; D144-H165 IonicContact OD1-CG 3.74Å; D144-H165 IonicContact OD1-ND1 2.79Å; D144-H165 PolarHBondContact OD1-ND1 2.84Å
145I95.6Very high83.1Confident0 Ų072.9 Ų72.90%037%0.371CS..EExtended strand (participates in β ladder)trans-106.3116165.5-58.2174.5000107.9T131 F132 L134 F160 K161 I174 L201 A204 L208T131-I145 CarbonylContact C-O 3.59Å; T131-I145 VanDerWaalsContact CA-O 3.26Å; T131-I145 WeakPolarHBondContact CA-O 3.36Å; F132-I145 HydrophobicContact CB-CB 4.25Å; F132-I145 PolarHBondContact N-O 2.93Å; F132-I145 PolarHBondContact O-N 3.2Å; L134-I145 HydrophobicContact CD1-CD1 3.45Å; L134-I145 VanDerWaalsContact CD1-CD1 3.45Å; L134-I145 HydrophobicContact CD1-CG1 3.94Å; I145-F160 HydrophobicContact CG2-CB 3.68Å; I145-F160 HydrophobicContact CG2-CD1 4.21Å; I145-F160 HydrophobicContact CG2-CG 4.32Å; I145-K161 CarbonylContact C-O 3.56Å; I145-K161 WeakPolarHBondContact CA-O 3.39Å; I145-I174 HydrophobicContact CD1-CD1 4.02Å; I145-L201 HydrophobicContact CD1-CD2 3.96Å; I145-L201 HydrophobicContact CG1-CD2 4.19Å; I145-A204 HydrophobicContact CD1-CB 3.47Å; I145-A204 VanDerWaalsContact CD1-CB 3.47Å; I145-L208 HydrophobicContact CG2-CD1 4.38Å
146K92.7Very high81.8Confident62 Ų6278.3 Ų78.327%0.2740%0.395SS..EExtended strand (participates in β ladder)trans-111.5114.8-179.4-59-178.9-176.2165.10110.1T131 D144 F160 K161 Y163T131-K146 HydrophobicContact CG2-CG 4.12Å; D144-K146 HydrophobicContact CB-CG 4.41Å; D144-K146 WeakPolarHBondContact OD2-CE 3.33Å; D144-K146 IonicContact OD2-NZ 3.37Å; D144-K146 PolarHBondContact OD2-NZ 2.96Å; K146-F160 CarbonylContact O-C 3.53Å; K146-F160 WeakPolarHBondContact O-CA 3.43Å; K146-K161 PolarHBondContact N-O 3.21Å; K146-K161 PolarHBondContact O-N 3.24Å; K146-Y163 HydrophobicContact CB-CD2 4.49Å; K146-Y163 HydrophobicContact CB-CE2 4.03Å; K146-Y163 HydrophobicContact CD-CD2 3.86Å; K146-Y163 HydrophobicContact CD-CE2 3.7Å; K146-Y163 HydrophobicContact CG-CD2 4.07Å; K146-Y163 HydrophobicContact CG-CE2 3.99Å
147G88.5Confident81.1Confident18 Ų1880.6 Ų80.619%0.18641%0.407CS..  trans-79.4171.917500000113.6H130H130-G147 PolarHBondContact O-N 2.93Å
148P82.6Confident80.7Confident39 Ų3975.4 Ų75.425%0.25339%0.388SS..  trans-66.7147.9174.129.5-32.8000110.8L158 I159P148-L158 HydrophobicContact CG-CD2 4.21Å; P148-I159 WeakPolarHBondContact CD-O 3.49Å
149W68.9Low80.5Confident154 Ų15474.5 Ų74.558%0.58338%0.383SS*.SBendtrans-67.5-36.5177.1-166.6-50.6000112F128 H130F128-W149 HydrophobicContact CD1-CZ2 4.26Å; F128-W149 AromaticContact CD1-NE1 3.79Å; F128-W149 HydrophobicContact CD2-CD2 4.25Å; F128-W149 AromaticContact CD2-CE2 3.84Å; F128-W149 HydrophobicContact CD2-CE3 4.44Å; F128-W149 AromaticContact CD2-CH2 3.96Å; F128-W149 HydrophobicContact CD2-CH2 3.96Å; F128-W149 AromaticContact CD2-CZ2 3.74Å; F128-W149 HydrophobicContact CD2-CZ2 3.74Å; F128-W149 HydrophobicContact CD2-CZ3 4.29Å; F128-W149 AromaticContact CE1-CE2 3.87Å; F128-W149 AromaticContact CE1-CZ2 3.67Å; F128-W149 HydrophobicContact CE1-CZ2 3.67Å; F128-W149 AromaticContact CE1-NE1 3.78Å; F128-W149 HydrophobicContact CE2-CD2 4.39Å; F128-W149 AromaticContact CE2-CE2 3.65Å; F128-W149 HydrophobicContact CE2-CE3 4.5Å; F128-W149 AromaticContact CE2-CH2 3.24Å; F128-W149 HydrophobicContact CE2-CH2 3.24Å; F128-W149 AromaticContact CE2-CZ2 3.07Å; F128-W149 HydrophobicContact CE2-CZ2 3.07Å; F128-W149 AromaticContact CE2-CZ3 3.97Å; F128-W149 HydrophobicContact CE2-CZ3 3.97Å; F128-W149 HydrophobicContact CG-CZ2 4.29Å; F128-W149 AromaticContact CZ-CE2 3.67Å; F128-W149 AromaticContact CZ-CH2 3.65Å; F128-W149 HydrophobicContact CZ-CH2 3.65Å; F128-W149 AromaticContact CZ-CZ2 3.02Å; F128-W149 HydrophobicContact CZ-CZ2 3.02Å; H130-W149 PolarHBondContact NE2-O 3.3Å
150F65.8Low80.4Confident143 Ų14369.7 Ų69.763%0.62736%0.357SS*.  trans-122.6114.6177.6-68.4-82.2000109.8Y152F150-Y152 HydrophobicContact CB-CD2 4.18Å; F150-Y152 HydrophobicContact CB-CE2 4.25Å; F150-Y152 HydrophobicContact CD1-CE2 4.23Å
151S60.9Low80.3Confident46 Ų4670.7 Ų70.732%0.32236%0.357SS..  trans-98.478.9173.465.90000109.4T153S151-T153 WeakPolarHBondContact O-CG2 3.29Å; S151-T153 PolarHBondContact O-N 3.07Å
152Y54.4Low80.4Confident192 Ų19268.3 Ų68.375%0.75335%0.345SS*.  trans-78.396.4166-76.9-79.6000108.2F150 C154F150-Y152 HydrophobicContact CB-CD2 4.18Å; F150-Y152 HydrophobicContact CB-CE2 4.25Å; F150-Y152 HydrophobicContact CD1-CE2 4.23Å; Y152-C154 PolarHBondContact O-N 3.28Å
153T54.5Low80.3Confident62 Ų6266.9 Ų66.938%0.3834%0.335SS..  trans-98.937.8-154.637.90000115.9S151 L158 R178 F213S151-T153 WeakPolarHBondContact O-CG2 3.29Å; S151-T153 PolarHBondContact O-N 3.07Å; T153-L158 HydrophobicContact CG2-CD1 4.07Å; T153-L158 HydrophobicContact CG2-CD2 4.02Å; T153-L158 HydrophobicContact CG2-CG 4.41Å; T153-R178 VanDerWaalsContact C-NH2 3.31Å; T153-R178 PolarHBondContact O-NH1 2.87Å; T153-R178 PolarHBondContact O-NH2 2.93Å; T153-F213 HydrophobicContact CG2-CE1 4.41Å
154C54.5Low80.3Confident115 Ų11567.9 Ų67.978%0.77735%0.345SS*.SBendtrans-96.4-45169.9-169.40000113.4Y152Y152-C154 PolarHBondContact O-N 3.28Å
155C60.4Low80.3Confident104 Ų10471.2 Ų71.270%0.70336%0.359SS*.SBendtrans-130.16.5-161.5-53.20000116.1
156F70.7Confident80.2Confident161 Ų16174.4 Ų74.471%0.70639%0.392SS*.SBendtrans-123.8142.4-176-62.8-73.5000112.3L158F156-L158 PolarHBondContact O-N 2.97Å
157D81.5Confident80.3Confident64 Ų6477 Ų7734%0.34241%0.406SS..  trans-57.6127.2170-72.3-11.3000108.9I175 C176 R177D157-I175 HydrophobicContact CB-CG2 4Å; D157-C176 CarbonylContact C-O 3.53Å; D157-C176 VanDerWaalsContact CA-O 3.24Å; D157-C176 WeakPolarHBondContact CA-O 3.27Å; D157-R177 IonicContact OD1-NE 3.64Å; D157-R177 PolarHBondContact OD1-NE 3.15Å; D157-R177 IonicContact OD2-CZ 3.99Å; D157-R177 IonicContact OD2-NE 2.87Å; D157-R177 PolarHBondContact OD2-NE 2.96Å; D157-R177 IonicContact OD2-NH2 3.73Å; D157-R177 PolarHBondContact OD2-NH2 2.75Å
158L86.8Confident80.4Confident9 Ų983.2 Ų83.25%0.04743%0.434CS..EExtended strand (participates in β ladder)trans-82.6124.7171.7-64.2-173.8000109.1P148 T153 F156 F160 I175 C176 F213P148-L158 HydrophobicContact CG-CD2 4.21Å; T153-L158 HydrophobicContact CG2-CD1 4.07Å; T153-L158 HydrophobicContact CG2-CD2 4.02Å; T153-L158 HydrophobicContact CG2-CG 4.41Å; F156-L158 PolarHBondContact O-N 2.97Å; L158-F160 HydrophobicContact CB-CE2 3.78Å; L158-F160 HydrophobicContact CB-CZ 4.43Å; L158-F160 HydrophobicContact CD1-CE2 4.36Å; L158-F160 HydrophobicContact CD1-CZ 4.32Å; L158-I175 WeakPolarHBondContact O-CA 3.44Å; L158-C176 HydrophobicContact CB-CB 4.13Å; L158-C176 PolarHBondContact N-O 2.79Å; L158-C176 PolarHBondContact O-N 3.22Å; L158-F213 HydrophobicContact CD1-CE1 3.99Å; L158-F213 HydrophobicContact CD1-CE2 4.35Å; L158-F213 HydrophobicContact CD1-CZ 3.42Å; L158-F213 VanDerWaalsContact CD1-CZ 3.42Å; L158-F213 HydrophobicContact CG-CZ 4.27Å
159I91Very high81Confident82 Ų8291.5 Ų91.542%0.42146%0.46SS..EExtended strand (participates in β ladder)trans-111118.2-179.5-55.3176.6000109.3P148 R173 I175P148-I159 WeakPolarHBondContact CD-O 3.49Å; I159-R173 HydrophobicContact CG2-CB 4.47Å; I159-I175 HydrophobicContact CG1-CG1 4.47Å
160F93.5Very high82.4Confident1 Ų186.4 Ų86.40%0.00445%0.449CS..EExtended strand (participates in β ladder)trans-104.5126.4170.9-57.8-100.8000108.6I145 K146 L158 R173 I174 L208 Y212I145-F160 HydrophobicContact CG2-CB 3.68Å; I145-F160 HydrophobicContact CG2-CD1 4.21Å; I145-F160 HydrophobicContact CG2-CG 4.32Å; K146-F160 CarbonylContact O-C 3.53Å; K146-F160 WeakPolarHBondContact O-CA 3.43Å; L158-F160 HydrophobicContact CB-CE2 3.78Å; L158-F160 HydrophobicContact CB-CZ 4.43Å; L158-F160 HydrophobicContact CD1-CE2 4.36Å; L158-F160 HydrophobicContact CD1-CZ 4.32Å; F160-R173 CarbonylContact O-C 3.43Å; F160-R173 WeakPolarHBondContact O-CA 3.27Å; F160-R173 WeakPolarHBondContact O-CB 3.34Å; F160-I174 HydrophobicContact CB-CB 4.21Å; F160-I174 PolarHBondContact N-O 2.98Å; F160-I174 PolarHBondContact O-N 2.87Å; F160-L208 HydrophobicContact CB-CD1 4.49Å; F160-L208 HydrophobicContact CD1-CD1 4Å; F160-L208 HydrophobicContact CD1-CD2 3.99Å; F160-L208 HydrophobicContact CD2-CD1 4.03Å; F160-L208 HydrophobicContact CE1-CD1 4.23Å; F160-L208 HydrophobicContact CE1-CD2 3.66Å; F160-L208 HydrophobicContact CE2-CD1 4.24Å; F160-L208 HydrophobicContact CG-CD1 3.91Å; F160-L208 HydrophobicContact CZ-CD1 4.35Å; F160-L208 HydrophobicContact CZ-CD2 4.08Å; F160-Y212 HydrophobicContact CE1-CD2 4.3Å; F160-Y212 AromaticContact CE1-CE2 3.7Å; F160-Y212 HydrophobicContact CE1-CE2 3.7Å; F160-Y212 AromaticContact CE1-CZ 3.91Å; F160-Y212 HydrophobicContact CZ-CD2 4.05Å; F160-Y212 AromaticContact CZ-CE2 3.91Å; F160-Y212 HydrophobicContact CZ-CE2 3.91Å; F160-Y212 HydrophobicContact CZ-CG 4.49Å
161K95.5Very high83.9Confident107 Ų10782.7 Ų82.747%0.46543%0.434SS..EExtended strand (participates in β ladder)trans-92.8138.9180-70.7-178.7-177.1177.70110.5I145 K146 Y163I145-K161 CarbonylContact C-O 3.56Å; I145-K161 WeakPolarHBondContact CA-O 3.39Å; K146-K161 PolarHBondContact N-O 3.21Å; K146-K161 PolarHBondContact O-N 3.24Å; K161-Y163 HydrophobicContact CB-CD2 4.36Å; K161-Y163 HydrophobicContact CB-CE2 3.42Å; K161-Y163 VanDerWaalsContact CB-CE2 3.42Å; K161-Y163 VanDerWaalsContact CD-OH 3.31Å; K161-Y163 WeakPolarHBondContact CD-OH 3.27Å
162I97.9Very high85.7Confident0 Ų081 Ų810%042%0.424CS..EExtended strand (participates in β ladder)trans-103.1132.8179.4-56.2166.1000108.9L143 D144 S170 I171 G172 I174 L201L143-I162 HydrophobicContact CB-CG2 4.49Å; L143-I162 HydrophobicContact CD1-CG2 4.22Å; D144-I162 CarbonylContact O-C 3.51Å; D144-I162 WeakPolarHBondContact O-CA 3.45Å; I162-S170 CarbonylContact O-C 3.52Å; I162-S170 VanDerWaalsContact O-CA 3.24Å; I162-S170 WeakPolarHBondContact O-CA 3.44Å; I162-S170 PolarHBondContact O-OG 3.4Å; I162-I171 HydrophobicContact CB-CG1 4.39Å; I162-I171 HydrophobicContact CG2-CD1 4.24Å; I162-I171 HydrophobicContact CG2-CG1 3.94Å; I162-I171 PolarHBondContact O-N 3.13Å; I162-G172 PolarHBondContact N-O 2.96Å; I162-G172 PolarHBondContact O-N 2.94Å; I162-I174 HydrophobicContact CD1-CG1 4.21Å; I162-L201 HydrophobicContact CD1-CD1 3.89Å; I162-L201 HydrophobicContact CD1-CD2 3.55Å; I162-L201 HydrophobicContact CD1-CG 4.31Å; I162-L201 HydrophobicContact CG1-CD2 3.96Å; I162-L201 HydrophobicContact CG2-CD2 4.13Å
163Y97.4Very high87.7Confident31 Ų3177.2 Ų77.212%0.12241%0.409CS..EExtended strand (participates in β ladder)trans-127.9146.6177.6-58.2-99.9000109.5L143 D144 K146 K161 H167 N168 R169L143-Y163 CarbonylContact C-O 3.52Å; L143-Y163 VanDerWaalsContact CA-O 3.23Å; L143-Y163 WeakPolarHBondContact CA-O 3.42Å; D144-Y163 PolarHBondContact N-O 2.81Å; D144-Y163 PolarHBondContact O-N 2.71Å; K146-Y163 HydrophobicContact CB-CD2 4.49Å; K146-Y163 HydrophobicContact CB-CE2 4.03Å; K146-Y163 HydrophobicContact CD-CD2 3.86Å; K146-Y163 HydrophobicContact CD-CE2 3.7Å; K146-Y163 HydrophobicContact CG-CD2 4.07Å; K146-Y163 HydrophobicContact CG-CE2 3.99Å; K161-Y163 HydrophobicContact CB-CD2 4.36Å; K161-Y163 HydrophobicContact CB-CE2 3.42Å; K161-Y163 VanDerWaalsContact CB-CE2 3.42Å; K161-Y163 VanDerWaalsContact CD-OH 3.31Å; K161-Y163 WeakPolarHBondContact CD-OH 3.27Å; Y163-H167 WeakPolarHBondContact CD1-O 3.4Å; Y163-N168 WeakPolarHBondContact CE1-O 3.21Å; Y163-R169 VanDerWaalsContact CD1-C 3.45Å; Y163-R169 WeakPolarHBondContact CD1-O 3.38Å
164A97.6Very high89.7Confident28 Ų2874.2 Ų74.223%0.23139%0.391CS..EExtended strand (participates in β ladder)trans-62.8139.5156.600000108.8G166 H167A164-G166 PolarHBondContact O-N 2.71Å; A164-H167 HydrophobicContact CB-CB 4.26Å; A164-H167 WeakPolarHBondContact O-CB 3.06Å; A164-H167 PolarHBondContact O-N 2.45Å
165H95.7Very high91.6Very high77 Ų7769.9 Ų69.936%0.35636%0.359SS..THydrogen-bonded Turntrans-57.5135.4-175.4-173.563000111.6I141 D142 D144 H167I141-H165 HydrophobicContact CG2-CB 4Å; I141-H165 VanDerWaalsContact CG2-ND1 3.32Å; I141-H165 WeakPolarHBondContact CG2-ND1 3.17Å; I141-H165 VanDerWaalsContact O-CB 3.23Å; I141-H165 WeakPolarHBondContact O-CB 3.43Å; D142-H165 WeakPolarHBondContact O-CB 3.29Å; D142-H165 PolarHBondContact O-N 3.13Å; D144-H165 IonicContact OD1-CE1 3.76Å; D144-H165 IonicContact OD1-CG 3.74Å; D144-H165 IonicContact OD1-ND1 2.79Å; D144-H165 PolarHBondContact OD1-ND1 2.84Å; H165-H167 PolarHBondContact O-CD2 3.01Å; H165-H167 PolarHBondContact O-N 2.65Å
166G93.3Very high93Very high67 Ų6765 Ų6569%0.69133%0.326SS*.THydrogen-bonded Turntrans75.1-3.9-176.100000115.3A164A164-G166 PolarHBondContact O-N 2.71Å
167H94.8Very high93.7Very high118 Ų11864 Ų6455%0.54632%0.318SS..  trans-100.1149.9176.5-62.2-89.9000112.5Y163 A164 H165Y163-H167 WeakPolarHBondContact CD1-O 3.4Å; A164-H167 HydrophobicContact CB-CB 4.26Å; A164-H167 WeakPolarHBondContact O-CB 3.06Å; A164-H167 PolarHBondContact O-N 2.45Å; H165-H167 PolarHBondContact O-CD2 3.01Å; H165-H167 PolarHBondContact O-N 2.65Å
168N91.6Very high93.4Very high147 Ų14764.9 Ų64.979%0.78632%0.316SS*.  trans-103.5-0-178.1-73.9-24.1000114.3Y163Y163-N168 WeakPolarHBondContact CE1-O 3.21Å
169R95.4Very high92.5Very high213 Ų21368.8 Ų68.880%0.80434%0.337SS*.SBendtrans-98.6126.5175-174.1175.8178.6176.9-0.5109.8Y163 I171Y163-R169 VanDerWaalsContact CD1-C 3.45Å; Y163-R169 WeakPolarHBondContact CD1-O 3.38Å; R169-I171 PolarHBondContact O-N 2.96Å
170S97.2Very high91.2Very high48 Ų4874.6 Ų74.634%0.33636%0.362SS..EExtended strand (participates in β ladder)trans-66132.2174.5-1600000109.5I162 G172I162-S170 CarbonylContact O-C 3.52Å; I162-S170 VanDerWaalsContact O-CA 3.24Å; I162-S170 WeakPolarHBondContact O-CA 3.44Å; I162-S170 PolarHBondContact O-OG 3.4Å; S170-G172 PolarHBondContact OG-O 2.51Å
171I98.1Very high89.9Confident64 Ų6481.4 Ų81.433%0.32840%0.395SS..EExtended strand (participates in β ladder)trans-103.4-17.4175.864.5169.9000112.4L143 I162 R169 P190L143-I171 HydrophobicContact CD2-CD1 3.76Å; I162-I171 HydrophobicContact CB-CG1 4.39Å; I162-I171 HydrophobicContact CG2-CD1 4.24Å; I162-I171 HydrophobicContact CG2-CG1 3.94Å; I162-I171 PolarHBondContact O-N 3.13Å; R169-I171 PolarHBondContact O-N 2.96Å; I171-P190 HydrophobicContact CB-CG 3.86Å; I171-P190 HydrophobicContact CD1-CG 4.23Å; I171-P190 HydrophobicContact CG1-CG 4.3Å; I171-P190 WeakPolarHBondContact O-CD 3.09Å; I171-P190 WeakPolarHBondContact O-CG 3.43Å
172G98.1Very high88.6Confident11 Ų1179.2 Ų79.211%0.11339%0.388CS..EExtended strand (participates in β ladder)trans-165.4-171.3-178.600000111.4I162 S170 D188I162-G172 PolarHBondContact N-O 2.96Å; I162-G172 PolarHBondContact O-N 2.94Å; S170-G172 PolarHBondContact OG-O 2.51Å; G172-D188 CarbonylContact C-O 3.5Å; G172-D188 WeakPolarHBondContact CA-O 3.49Å
173R97.5Very high87.8Confident112 Ų11280.5 Ų80.542%0.42340%0.395SS..EExtended strand (participates in β ladder)trans-158.9152.6178.557.4-172.6173.9-164.6-4.2112.4I159 F160 I175 D188I159-R173 HydrophobicContact CG2-CB 4.47Å; F160-R173 CarbonylContact O-C 3.43Å; F160-R173 WeakPolarHBondContact O-CA 3.27Å; F160-R173 WeakPolarHBondContact O-CB 3.34Å; R173-I175 HydrophobicContact CG-CD1 4.29Å; R173-I175 HydrophobicContact CG-CG1 4.17Å; R173-D188 HydrophobicContact CG-CB 3.97Å; R173-D188 WeakPolarHBondContact CG-OD2 3.47Å; R173-D188 IonicContact CZ-OD2 3.66Å; R173-D188 PolarHBondContact N-O 3.11Å; R173-D188 IonicContact NE-OD2 2.96Å; R173-D188 PolarHBondContact NE-OD2 2.89Å; R173-D188 IonicContact NH2-OD2 3.59Å; R173-D188 PolarHBondContact O-N 3.34Å
174I96.5Very high87.4Confident0 Ų080.3 Ų80.30%040%0.398CS..EExtended strand (participates in β ladder)trans-108122.4163.9-54.2176.1000107.3I145 F160 I162 F185 R186 V187 A204 A205 L208I145-I174 HydrophobicContact CD1-CD1 4.02Å; F160-I174 HydrophobicContact CB-CB 4.21Å; F160-I174 PolarHBondContact N-O 2.98Å; F160-I174 PolarHBondContact O-N 2.87Å; I162-I174 HydrophobicContact CD1-CG1 4.21Å; I174-F185 HydrophobicContact CG2-CB 4.49Å; I174-F185 HydrophobicContact CG2-CD1 4.16Å; I174-R186 CarbonylContact C-O 3.58Å; I174-R186 VanDerWaalsContact CA-O 3.29Å; I174-R186 WeakPolarHBondContact CA-O 3.46Å; I174-V187 HydrophobicContact CG1-CG1 4.24Å; I174-V187 HydrophobicContact CG1-CG2 4.36Å; I174-V187 HydrophobicContact CG2-CG2 4.38Å; I174-A204 HydrophobicContact CD1-CB 4.34Å; I174-A205 HydrophobicContact CG2-CB 4.23Å; I174-L208 HydrophobicContact CD1-CD1 3.89Å; I174-L208 HydrophobicContact CG2-CD1 4.41Å
175I93.5Very high87.2Confident24 Ų2479 Ų7912%0.12339%0.387CS..EExtended strand (participates in β ladder)trans-110.5117.1176.6-56.5169000107.6D157 L158 I159 R173 F185 R186D157-I175 HydrophobicContact CB-CG2 4Å; L158-I175 WeakPolarHBondContact O-CA 3.44Å; I159-I175 HydrophobicContact CG1-CG1 4.47Å; R173-I175 HydrophobicContact CG-CD1 4.29Å; R173-I175 HydrophobicContact CG-CG1 4.17Å; I175-F185 CarbonylContact O-C 3.49Å; I175-F185 WeakPolarHBondContact O-CA 3.45Å; I175-R186 HydrophobicContact CB-CB 4.36Å; I175-R186 PolarHBondContact N-O 3.21Å; I175-R186 PolarHBondContact O-N 2.8Å
176C89.4Confident87.2Confident1 Ų178.9 Ų78.91%0.00738%0.384CS..EExtended strand (participates in β ladder)trans-92.2118.9170.5176.90000109D157 L158 F185 F213D157-C176 CarbonylContact C-O 3.53Å; D157-C176 VanDerWaalsContact CA-O 3.24Å; D157-C176 WeakPolarHBondContact CA-O 3.27Å; L158-C176 HydrophobicContact CB-CB 4.13Å; L158-C176 PolarHBondContact N-O 2.79Å; L158-C176 PolarHBondContact O-N 3.22Å; C176-F185 HydrophobicContact CB-CD1 3.77Å; C176-F185 HydrophobicContact CB-CE1 3.56Å; C176-F185 HydrophobicContact CB-CZ 4.27Å; C176-F185 VanDerWaalsContact SG-CE1 3.55Å; C176-F213 WeakPolarHBondContact SG-CE2 3.46Å
177R86.5Confident87.5Confident139 Ų13975.7 Ų75.753%0.52535%0.351SS..EExtended strand (participates in β ladder)trans-111.4126.5171.7176.6168.5-69.4170.90.9109.1D157 S184D157-R177 IonicContact OD1-NE 3.64Å; D157-R177 PolarHBondContact OD1-NE 3.15Å; D157-R177 IonicContact OD2-CZ 3.99Å; D157-R177 IonicContact OD2-NE 2.87Å; D157-R177 PolarHBondContact OD2-NE 2.96Å; D157-R177 IonicContact OD2-NH2 3.73Å; D157-R177 PolarHBondContact OD2-NH2 2.75Å; R177-S184 PolarHBondContact N-O 2.76Å; R177-S184 PolarHBondContact O-N 2.89Å; R177-S184 PolarHBondContact O-OG 2.88Å
178R73.8Confident87.6Confident84 Ų8470.9 Ų70.932%0.31733%0.329SS..EExtended strand (participates in β ladder)trans-113.2124.1175.7-61.7-170.2-82.8146.77.1108.8T153 D183T153-R178 VanDerWaalsContact C-NH2 3.31Å; T153-R178 PolarHBondContact O-NH1 2.87Å; T153-R178 PolarHBondContact O-NH2 2.93Å; R178-D183 WeakPolarHBondContact CD-OD1 3.16Å; R178-D183 WeakPolarHBondContact CG-OD1 3.42Å
179D69.4Low87.9Confident91 Ų9164.3 Ų64.349%0.48729%0.293SS..  trans-109.2-174.7165.864.745.8000109.7E181 N182D179-E181 PolarHBondContact O-N 3.13Å; D179-E181 PolarHBondContact OD1-N 2.72Å; D179-N182 PolarHBondContact N-O 3.2Å; D179-N182 VanDerWaalsContact N-O 3.13Å; D179-N182 PolarHBondContact OD1-N 2.85Å
180Q63.5Low88Confident203 Ų20355.8 Ų55.895%0.94927%0.266SS*.SBendtrans-64.2-24.6-177.2-67.8-177.7-10.500112.9
181E65.6Low88Confident145 Ų14558.1 Ų58.168%0.67827%0.274SS*.SBendtrans-108.5-44.1-171.4-62.8-173.5166.800111.2K31 D179K31-E181 VanDerWaalsContact CD-O 3.23Å; K31-E181 WeakPolarHBondContact CD-O 3.17Å; K31-E181 PolarHBondContact NZ-O 2.85Å; D179-E181 PolarHBondContact O-N 3.13Å; D179-E181 PolarHBondContact OD1-N 2.72Å
182N68.4Low87.8Confident61 Ų6162.1 Ų62.133%0.32630%0.296SS..  trans-134.4144.7-164.7-61.7-57.1000113.5D179D179-N182 PolarHBondContact N-O 3.2Å; D179-N182 VanDerWaalsContact N-O 3.13Å; D179-N182 PolarHBondContact OD1-N 2.85Å
183D79.8Confident87.7Confident26 Ų2663 Ų6314%0.13930%0.298CS..EExtended strand (participates in β ladder)trans-99.2123.1169.9-55.5-68.7000107.6Q29 K31 R178 F185Q29-D183 PolarHBondContact N-O 2.86Å; K31-D183 IonicContact NZ-OD2 3.5Å; K31-D183 PolarHBondContact NZ-OD2 3.42Å; R178-D183 WeakPolarHBondContact CD-OD1 3.16Å; R178-D183 WeakPolarHBondContact CG-OD1 3.42Å; D183-F185 HydrophobicContact CB-CE2 4.47Å
184S89.9Confident87.5Confident28 Ų2861.2 Ų61.220%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-128.4138.6-179.566.30000110.9R177R177-S184 PolarHBondContact N-O 2.76Å; R177-S184 PolarHBondContact O-N 2.89Å; R177-S184 PolarHBondContact O-OG 2.88Å
185F94.1Very high87.3Confident1 Ų162.7 Ų62.70%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-117.2127.7179-62.4-99.8000108.7I26 V27 I174 I175 C176 D183 A205 D209 F213I26-F185 CarbonylContact C-O 3.51Å; I26-F185 WeakPolarHBondContact CA-O 3.29Å; V27-F185 HydrophobicContact CB-CB 4.23Å; V27-F185 PolarHBondContact N-O 3.01Å; V27-F185 PolarHBondContact O-N 2.86Å; I174-F185 HydrophobicContact CG2-CB 4.49Å; I174-F185 HydrophobicContact CG2-CD1 4.16Å; I175-F185 CarbonylContact O-C 3.49Å; I175-F185 WeakPolarHBondContact O-CA 3.45Å; C176-F185 HydrophobicContact CB-CD1 3.77Å; C176-F185 HydrophobicContact CB-CE1 3.56Å; C176-F185 HydrophobicContact CB-CZ 4.27Å; C176-F185 VanDerWaalsContact SG-CE1 3.55Å; D183-F185 HydrophobicContact CB-CE2 4.47Å; F185-A205 HydrophobicContact CB-CB 3.88Å; F185-A205 HydrophobicContact CD1-CB 4.3Å; F185-A205 HydrophobicContact CG-CB 4.16Å; F185-D209 HydrophobicContact CE1-CB 4.26Å; F185-D209 HydrophobicContact CE2-CB 3.64Å; F185-D209 HydrophobicContact CZ-CB 3.38Å; F185-D209 VanDerWaalsContact CZ-OD1 3.29Å; F185-D209 WeakPolarHBondContact CZ-OD1 3.3Å; F185-F213 HydrophobicContact CE1-CE2 4.36Å; F185-F213 HydrophobicContact CZ-CD2 4.3Å; F185-F213 HydrophobicContact CZ-CE2 4.09Å
186R95.9Very high87.3Confident74 Ų7465 Ų6528%0.27931%0.31SS..EExtended strand (participates in β ladder)trans-103.5122.8170.5169.4177.9165.5131.6-3.2108.6R24 I26 I174 I175 D188R24-R186 VanDerWaalsContact CD-CZ 3.44Å; R24-R186 HydrophobicContact CG-CG 4.24Å; R24-R186 VanDerWaalsContact NH1-NH1 3.18Å; I26-R186 HydrophobicContact CD1-CB 3.76Å; I26-R186 HydrophobicContact CD1-CG 3.79Å; I174-R186 CarbonylContact C-O 3.58Å; I174-R186 VanDerWaalsContact CA-O 3.29Å; I174-R186 WeakPolarHBondContact CA-O 3.46Å; I175-R186 HydrophobicContact CB-CB 4.36Å; I175-R186 PolarHBondContact N-O 3.21Å; I175-R186 PolarHBondContact O-N 2.8Å; R186-D188 IonicContact CZ-OD1 2.65Å; R186-D188 VanDerWaalsContact CZ-OD1 3.23Å; R186-D188 IonicContact CZ-OD2 3.51Å; R186-D188 IonicContact NE-OD1 2.84Å; R186-D188 PolarHBondContact NE-OD1 2.9Å; R186-D188 IonicContact NE-OD2 2.79Å; R186-D188 PolarHBondContact NE-OD2 3.46Å; R186-D188 VanDerWaalsContact NE-OD2 3.08Å; R186-D188 IonicContact NH2-OD1 3.01Å; R186-D188 PolarHBondContact NH2-OD1 3.32Å; R186-D188 IonicContact NH2-OD2 3.82Å; R186-D188 PolarHBondContact NH2-OD2 3.07Å
187V98.2Very high87.6Confident0 Ų065.5 Ų65.50%031%0.312CS..EExtended strand (participates in β ladder)trans-109.3108179.2-173.20000107.8R24 V25 V27 I174 F189 L201 A205R24-V187 VanDerWaalsContact CA-O 3.28Å; R24-V187 WeakPolarHBondContact CA-O 3.41Å; V25-V187 PolarHBondContact N-O 3.27Å; V25-V187 PolarHBondContact O-N 3.32Å; V27-V187 HydrophobicContact CG2-CG2 4.43Å; I174-V187 HydrophobicContact CG1-CG1 4.24Å; I174-V187 HydrophobicContact CG1-CG2 4.36Å; I174-V187 HydrophobicContact CG2-CG2 4.38Å; V187-F189 HydrophobicContact CG1-CD1 3.73Å; V187-F189 HydrophobicContact CG1-CE1 3.93Å; V187-L201 HydrophobicContact CG1-CB 3.86Å; V187-A205 HydrophobicContact CG2-CB 3.82Å
188D98.1Very high88.1Confident17 Ų1758.9 Ų58.99%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-101.1130.3174-62.8-52.3000109.1R24 G172 R173 R186R24-D188 WeakPolarHBondContact CD-OD1 3.09Å; R24-D188 IonicContact CZ-OD1 3.1Å; R24-D188 IonicContact NE-OD1 2.83Å; R24-D188 PolarHBondContact NE-OD1 3.04Å; R24-D188 IonicContact NH2-OD1 2.71Å; G172-D188 CarbonylContact C-O 3.5Å; G172-D188 WeakPolarHBondContact CA-O 3.49Å; R173-D188 HydrophobicContact CG-CB 3.97Å; R173-D188 WeakPolarHBondContact CG-OD2 3.47Å; R173-D188 IonicContact CZ-OD2 3.66Å; R173-D188 PolarHBondContact N-O 3.11Å; R173-D188 IonicContact NE-OD2 2.96Å; R173-D188 PolarHBondContact NE-OD2 2.89Å; R173-D188 IonicContact NH2-OD2 3.59Å; R173-D188 PolarHBondContact O-N 3.34Å; R186-D188 IonicContact CZ-OD1 2.65Å; R186-D188 VanDerWaalsContact CZ-OD1 3.23Å; R186-D188 IonicContact CZ-OD2 3.51Å; R186-D188 IonicContact NE-OD1 2.84Å; R186-D188 PolarHBondContact NE-OD1 2.9Å; R186-D188 IonicContact NE-OD2 2.79Å; R186-D188 PolarHBondContact NE-OD2 3.46Å; R186-D188 VanDerWaalsContact NE-OD2 3.08Å; R186-D188 IonicContact NH2-OD1 3.01Å; R186-D188 PolarHBondContact NH2-OD1 3.32Å; R186-D188 IonicContact NH2-OD2 3.82Å; R186-D188 PolarHBondContact NH2-OD2 3.07Å
189F97.9Very high89.1Confident8 Ų855 Ų554%0.03527%0.272CS..  trans-145.9163.6176.944.1-114.8000111.4V22 D23 V25 V187 L193 K198 L201V22-F189 WeakPolarHBondContact O-CE2 2.92Å; D23-F189 WeakPolarHBondContact CA-O 3.1Å; D23-F189 WeakPolarHBondContact CB-O 3.33Å; D23-F189 PolarHBondContact O-N 2.7Å; D23-F189 VanDerWaalsContact O-O 3.04Å; V25-F189 HydrophobicContact CG2-CZ 4.17Å; V187-F189 HydrophobicContact CG1-CD1 3.73Å; V187-F189 HydrophobicContact CG1-CE1 3.93Å; F189-L193 HydrophobicContact CB-CD2 3.81Å; F189-L193 HydrophobicContact CG-CD2 4.33Å; F189-K198 HydrophobicContact CD1-CB 4.43Å; F189-K198 HydrophobicContact CD1-CG 4.27Å; F189-K198 HydrophobicContact CD2-CD 3.81Å; F189-K198 HydrophobicContact CD2-CG 3.73Å; F189-K198 HydrophobicContact CE1-CB 4.02Å; F189-K198 HydrophobicContact CE1-CG 4.16Å; F189-K198 HydrophobicContact CE2-CB 4.21Å; F189-K198 HydrophobicContact CE2-CD 3.34Å; F189-K198 VanDerWaalsContact CE2-CE 3.5Å; F189-K198 HydrophobicContact CE2-CG 3.6Å; F189-K198 HydrophobicContact CG-CG 4.09Å; F189-K198 HydrophobicContact CZ-CB 3.91Å; F189-K198 HydrophobicContact CZ-CD 3.82Å; F189-K198 HydrophobicContact CZ-CG 3.83Å; F189-L201 HydrophobicContact CB-CD1 3.92Å; F189-L201 HydrophobicContact CD1-CD1 3.92Å; F189-L201 HydrophobicContact CG-CD1 4.31Å
190P97.5Very high90.4Very high34 Ų3450.6 Ų50.622%0.22125%0.249CC..  trans-59.1143.4174.7-23.334.6000112.6I171 D192 L193 K198I171-P190 HydrophobicContact CB-CG 3.86Å; I171-P190 HydrophobicContact CD1-CG 4.23Å; I171-P190 HydrophobicContact CG1-CG 4.3Å; I171-P190 WeakPolarHBondContact O-CD 3.09Å; I171-P190 WeakPolarHBondContact O-CG 3.43Å; P190-D192 VanDerWaalsContact CB-OD1 3.23Å; P190-D192 WeakPolarHBondContact CB-OD1 3.37Å; P190-D192 PolarHBondContact O-N 2.94Å; P190-L193 HydrophobicContact CB-CB 4.32Å; P190-L193 VanDerWaalsContact O-CB 3.31Å; P190-L193 WeakPolarHBondContact O-CB 3.45Å; P190-L193 PolarHBondContact O-N 3.48Å; P190-K198 WeakPolarHBondContact O-CE 3.33Å
191L95.7Very high92.1Very high97 Ų9741 Ų4151%0.50820%0.204SC..THydrogen-bonded Turntrans-59.1-36.5178.4-177.564.6000111.9E21 D23 K198E21-L191 VanDerWaalsContact C-CD1 3.45Å; D23-L191 HydrophobicContact CB-CB 4.48Å; L191-K198 PolarHBondContact O-NZ 2.85Å
192D94.7Very high93.6Very high149 Ų14934 Ų3480%0.79717%0.172SC*.THydrogen-bonded Turntrans-89.15.1-17862.9-26.9000114.3P190P190-D192 VanDerWaalsContact CB-OD1 3.23Å; P190-D192 WeakPolarHBondContact CB-OD1 3.37Å; P190-D192 PolarHBondContact O-N 2.94Å
193L95.7Very high94.9Very high29 Ų2931.1 Ų31.115%0.15216%0.156CC..SBendtrans-64140.8174.5-175.265.9000110.7L143 F189 P190 Y195 M197 K198 L201L143-L193 HydrophobicContact CD1-CD2 4.29Å; F189-L193 HydrophobicContact CB-CD2 3.81Å; F189-L193 HydrophobicContact CG-CD2 4.33Å; P190-L193 HydrophobicContact CB-CB 4.32Å; P190-L193 VanDerWaalsContact O-CB 3.31Å; P190-L193 WeakPolarHBondContact O-CB 3.45Å; P190-L193 PolarHBondContact O-N 3.48Å; L193-Y195 PolarHBondContact O-N 3.32Å; L193-M197 HydrophobicContact CD1-CB 4.07Å; L193-M197 HydrophobicContact CD2-CB 4.04Å; L193-M197 HydrophobicContact CG-CB 3.93Å; L193-K198 HydrophobicContact CB-CG 4.24Å; L193-K198 HydrophobicContact CD2-CG 4.12Å; L193-K198 HydrophobicContact CG-CG 4.3Å; L193-K198 WeakPolarHBondContact O-CE 3.37Å; L193-L201 HydrophobicContact CD2-CD1 3.66Å
194D93.1Very high95.7Very high75 Ų7530 Ų3040%0.40115%0.15SC..  trans-51.4132.9175-173.1-67.4000111R196 M197 K198D194-R196 PolarHBondContact O-N 2.87Å; D194-R196 WeakPolarHBondContact OD1-CA 3.39Å; D194-R196 WeakPolarHBondContact OD1-CB 3.23Å; D194-R196 WeakPolarHBondContact OD1-CG 3.27Å; D194-R196 PolarHBondContact OD1-N 3.29Å; D194-M197 HydrophobicContact CB-CB 4.49Å; D194-M197 HydrophobicContact CB-CG 4.34Å; D194-M197 WeakPolarHBondContact O-CA 3.43Å; D194-M197 WeakPolarHBondContact O-CB 3.42Å; D194-M197 PolarHBondContact O-N 3.14Å; D194-K198 PolarHBondContact O-N 3.47Å
195Y92.1Very high96Very high30 Ų3028.7 Ų28.712%0.11814%0.141CC..Hα-helixtrans-61.1-29.9-175.281.3-84.2000112.5P12 I13 L193 M197 K198 L199P12-Y195 HydrophobicContact CB-CE2 4.3Å; P12-Y195 WeakPolarHBondContact CB-OH 3.38Å; P12-Y195 HydrophobicContact CG-CD1 4.4Å; P12-Y195 HydrophobicContact CG-CD2 4.27Å; P12-Y195 HydrophobicContact CG-CE1 3.53Å; P12-Y195 HydrophobicContact CG-CE2 3.4Å; P12-Y195 VanDerWaalsContact CG-CE2 3.4Å; P12-Y195 WeakPolarHBondContact CG-OH 3.49Å; I13-Y195 HydrophobicContact CD1-CE2 4.24Å; L193-Y195 PolarHBondContact O-N 3.32Å; Y195-M197 VanDerWaalsContact C-N 3.33Å; Y195-K198 WeakPolarHBondContact O-CB 3.24Å; Y195-K198 PolarHBondContact O-N 2.96Å; Y195-L199 HydrophobicContact CD2-CD1 3.93Å; Y195-L199 HydrophobicContact CE2-CD1 4.13Å; Y195-L199 WeakPolarHBondContact O-CG 3.4Å; Y195-L199 PolarHBondContact O-N 3.06Å
196R93.4Very high95.9Very high74 Ų7428.6 Ų28.628%0.27914%0.141SC..Hα-helixtrans-64.9-40.9174.6-60.6-180176.9113.4-4.3110.5M118 W137 D194 L199 L200M118-R196 HydrophobicContact CG-CB 4.15Å; M118-R196 HydrophobicContact CG-CG 4.2Å; M118-R196 HydrophobicContact SD-CB 4.2Å; M118-R196 HydrophobicContact SD-CG 4.36Å; W137-R196 VanDerWaalsContact CZ3-CD 3.48Å; D194-R196 PolarHBondContact O-N 2.87Å; D194-R196 WeakPolarHBondContact OD1-CA 3.39Å; D194-R196 WeakPolarHBondContact OD1-CB 3.23Å; D194-R196 WeakPolarHBondContact OD1-CG 3.27Å; D194-R196 PolarHBondContact OD1-N 3.29Å; R196-L199 WeakPolarHBondContact O-CB 3.37Å; R196-L199 PolarHBondContact O-N 2.77Å; R196-L200 WeakPolarHBondContact O-CG 3.19Å; R196-L200 PolarHBondContact O-N 2.79Å
197M96.5Very high95.6Very high10 Ų1025.1 Ų25.15%0.04913%0.128CC..Hα-helixtrans-68.8-37.8175.7-68.3-58.3124.900111.6L134 D136 D142 L143 L193 D194 Y195 L199 L200 L201L134-M197 HydrophobicContact CB-SD 4.47Å; D136-M197 HydrophobicContact CB-CE 4.35Å; D142-M197 HydrophobicContact CB-CE 4.42Å; D142-M197 HydrophobicContact CB-SD 3.84Å; D142-M197 VanDerWaalsContact OD2-CE 3.28Å; D142-M197 WeakPolarHBondContact OD2-CE 3.43Å; L143-M197 HydrophobicContact CD1-CB 4.02Å; L143-M197 HydrophobicContact CD1-CG 4.38Å; L143-M197 HydrophobicContact CD1-SD 4.32Å; L143-M197 HydrophobicContact CG-SD 4.45Å; L193-M197 HydrophobicContact CD1-CB 4.07Å; L193-M197 HydrophobicContact CD2-CB 4.04Å; L193-M197 HydrophobicContact CG-CB 3.93Å; D194-M197 HydrophobicContact CB-CB 4.49Å; D194-M197 HydrophobicContact CB-CG 4.34Å; D194-M197 WeakPolarHBondContact O-CA 3.43Å; D194-M197 WeakPolarHBondContact O-CB 3.42Å; D194-M197 PolarHBondContact O-N 3.14Å; Y195-M197 VanDerWaalsContact C-N 3.33Å; M197-L199 VanDerWaalsContact C-N 3.29Å; M197-L199 PolarHBondContact O-N 2.95Å; M197-L200 HydrophobicContact CE-CD1 3.59Å; M197-L200 PolarHBondContact O-N 2.85Å; M197-L200 HydrophobicContact SD-CD1 3.94Å; M197-L201 WeakPolarHBondContact O-CB 3.38Å; M197-L201 VanDerWaalsContact O-CG 3.25Å; M197-L201 WeakPolarHBondContact O-CG 3.31Å; M197-L201 PolarHBondContact O-N 3.33Å
198K96.6Very high95.2Very high1 Ų125.2 Ų25.20%0.00413%0.128CC..Hα-helixtrans-57.1-44.6169.6-63.5-177.6176.7-1720111L19 V22 F189 P190 L191 L193 D194 Y195 L201 I202L19-K198 VanDerWaalsContact O-CD 3.29Å; L19-K198 WeakPolarHBondContact O-CD 3.42Å; L19-K198 PolarHBondContact O-NZ 2.96Å; V22-K198 PolarHBondContact O-NZ 2.85Å; F189-K198 HydrophobicContact CD1-CB 4.43Å; F189-K198 HydrophobicContact CD1-CG 4.27Å; F189-K198 HydrophobicContact CD2-CD 3.81Å; F189-K198 HydrophobicContact CD2-CG 3.73Å; F189-K198 HydrophobicContact CE1-CB 4.02Å; F189-K198 HydrophobicContact CE1-CG 4.16Å; F189-K198 HydrophobicContact CE2-CB 4.21Å; F189-K198 HydrophobicContact CE2-CD 3.34Å; F189-K198 VanDerWaalsContact CE2-CE 3.5Å; F189-K198 HydrophobicContact CE2-CG 3.6Å; F189-K198 HydrophobicContact CG-CG 4.09Å; F189-K198 HydrophobicContact CZ-CB 3.91Å; F189-K198 HydrophobicContact CZ-CD 3.82Å; F189-K198 HydrophobicContact CZ-CG 3.83Å; P190-K198 WeakPolarHBondContact O-CE 3.33Å; L191-K198 PolarHBondContact O-NZ 2.85Å; L193-K198 HydrophobicContact CB-CG 4.24Å; L193-K198 HydrophobicContact CD2-CG 4.12Å; L193-K198 HydrophobicContact CG-CG 4.3Å; L193-K198 WeakPolarHBondContact O-CE 3.37Å; D194-K198 PolarHBondContact O-N 3.47Å; Y195-K198 WeakPolarHBondContact O-CB 3.24Å; Y195-K198 PolarHBondContact O-N 2.96Å; K198-L201 PolarHBondContact O-N 3.46Å; K198-I202 WeakPolarHBondContact O-CG1 3.19Å; K198-I202 PolarHBondContact O-N 2.86Å
199L95.7Very high94.6Very high1 Ų124.5 Ų24.51%0.00512%0.124CC..Hα-helixtrans-65.3-43.3176.7-75.5169.5000113.4I13 L16 L19 L55 M88 M118 Y195 R196 M197 L201 I202 C203I13-L199 HydrophobicContact CD1-CD1 3.49Å; I13-L199 VanDerWaalsContact CD1-CD1 3.49Å; L16-L199 HydrophobicContact CD1-CD1 3.87Å; L16-L199 HydrophobicContact CD1-CD2 3.9Å; L16-L199 HydrophobicContact CD1-CG 4.48Å; L19-L199 HydrophobicContact CD1-CD1 4.42Å; L19-L199 HydrophobicContact CD1-CD2 3.49Å; L19-L199 VanDerWaalsContact CD1-CD2 3.49Å; L19-L199 HydrophobicContact CD1-CG 3.69Å; L55-L199 HydrophobicContact CD1-CD2 3.67Å; M88-L199 HydrophobicContact CE-CB 4.38Å; M88-L199 HydrophobicContact CE-CD2 4.44Å; M88-L199 HydrophobicContact SD-CD2 4Å; M118-L199 HydrophobicContact CE-CB 3.8Å; M118-L199 HydrophobicContact SD-CB 4.19Å; M118-L199 HydrophobicContact SD-CD1 4.1Å; Y195-L199 HydrophobicContact CD2-CD1 3.93Å; Y195-L199 HydrophobicContact CE2-CD1 4.13Å; Y195-L199 WeakPolarHBondContact O-CG 3.4Å; Y195-L199 PolarHBondContact O-N 3.06Å; R196-L199 WeakPolarHBondContact O-CB 3.37Å; R196-L199 PolarHBondContact O-N 2.77Å; M197-L199 VanDerWaalsContact C-N 3.29Å; M197-L199 PolarHBondContact O-N 2.95Å; L199-L201 VanDerWaalsContact C-N 3.28Å; L199-L201 PolarHBondContact O-N 2.96Å; L199-I202 HydrophobicContact CD2-CD1 4.42Å; L199-I202 WeakPolarHBondContact O-CB 3.47Å; L199-I202 PolarHBondContact O-N 2.86Å; L199-C203 PolarHBondContact O-N 3.29Å; L199-C203 PolarHBondContact O-SG 2.84Å
200L97.2Very high93.7Very high0 Ų024.2 Ų24.20%012%0.123CC..Hα-helixtrans-62.2-36.1174.2-72.5-176.8000111.7V110 M118 L134 K135 R196 M197 C203 A204V110-L200 HydrophobicContact CB-CD2 3.81Å; V110-L200 HydrophobicContact CG1-CD2 4.29Å; V110-L200 HydrophobicContact CG2-CD2 3.67Å; M118-L200 HydrophobicContact CE-CD2 3.51Å; M118-L200 HydrophobicContact CE-CG 3.78Å; L134-L200 HydrophobicContact CB-CD1 4.32Å; L134-L200 HydrophobicContact CD2-CB 3.6Å; L134-L200 HydrophobicContact CG-CB 3.95Å; L134-L200 HydrophobicContact CG-CD1 4.4Å; K135-L200 WeakPolarHBondContact O-CD1 3.3Å; R196-L200 WeakPolarHBondContact O-CG 3.19Å; R196-L200 PolarHBondContact O-N 2.79Å; M197-L200 HydrophobicContact CE-CD1 3.59Å; M197-L200 PolarHBondContact O-N 2.85Å; M197-L200 HydrophobicContact SD-CD1 3.94Å; L200-C203 PolarHBondContact O-N 3.04Å; L200-A204 VanDerWaalsContact O-CB 3.3Å; L200-A204 WeakPolarHBondContact O-CB 3.31Å; L200-A204 PolarHBondContact O-N 3.29Å
201L98.3Very high92.8Very high0 Ų023.5 Ų23.50%012%0.118CC..Hα-helixtrans-66.6-38.2175-73.1170.4000112.5L134 L143 I145 I162 V187 F189 L193 M197 K198 L199 A204 A205L134-L201 HydrophobicContact CD2-CD2 3.62Å; L134-L201 HydrophobicContact CD2-CG 3.77Å; L143-L201 HydrophobicContact CD1-CD1 4.07Å; L143-L201 HydrophobicContact CD1-CD2 4.29Å; L143-L201 HydrophobicContact CD1-CG 4.2Å; I145-L201 HydrophobicContact CD1-CD2 3.96Å; I145-L201 HydrophobicContact CG1-CD2 4.19Å; I162-L201 HydrophobicContact CD1-CD1 3.89Å; I162-L201 HydrophobicContact CD1-CD2 3.55Å; I162-L201 HydrophobicContact CD1-CG 4.31Å; I162-L201 HydrophobicContact CG1-CD2 3.96Å; I162-L201 HydrophobicContact CG2-CD2 4.13Å; V187-L201 HydrophobicContact CG1-CB 3.86Å; F189-L201 HydrophobicContact CB-CD1 3.92Å; F189-L201 HydrophobicContact CD1-CD1 3.92Å; F189-L201 HydrophobicContact CG-CD1 4.31Å; L193-L201 HydrophobicContact CD2-CD1 3.66Å; M197-L201 WeakPolarHBondContact O-CB 3.38Å; M197-L201 VanDerWaalsContact O-CG 3.25Å; M197-L201 WeakPolarHBondContact O-CG 3.31Å; M197-L201 PolarHBondContact O-N 3.33Å; K198-L201 PolarHBondContact O-N 3.46Å; L199-L201 VanDerWaalsContact C-N 3.28Å; L199-L201 PolarHBondContact O-N 2.96Å; L201-A204 WeakPolarHBondContact O-CB 3.23Å; L201-A204 PolarHBondContact O-N 2.83Å; L201-A205 PolarHBondContact O-N 2.8Å; L201-A205 VanDerWaalsContact O-N 3.07Å
202I97.3Very high91.9Very high0 Ų021.5 Ų21.50%010%0.104CC..Hα-helixtrans-62.5-46.3172.4-66.9164.4000110.1L19 V25 V27 A46 L54 F57 K198 L199 A204 A205L19-I202 HydrophobicContact CD1-CD1 4.42Å; L19-I202 HydrophobicContact CD2-CD1 3.93Å; V25-I202 HydrophobicContact CB-CD1 4.14Å; V25-I202 HydrophobicContact CB-CG1 4.16Å; V25-I202 HydrophobicContact CG1-CD1 3.96Å; V25-I202 HydrophobicContact CG1-CG1 3.99Å; V25-I202 HydrophobicContact CG2-CD1 3.92Å; V25-I202 HydrophobicContact CG2-CG1 4.46Å; V27-I202 HydrophobicContact CG2-CG2 3.87Å; A46-I202 HydrophobicContact CB-CG2 3.94Å; L54-I202 HydrophobicContact CD2-CD1 4.41Å; F57-I202 HydrophobicContact CE2-CG2 4.21Å; F57-I202 HydrophobicContact CZ-CG2 3.83Å; K198-I202 WeakPolarHBondContact O-CG1 3.19Å; K198-I202 PolarHBondContact O-N 2.86Å; L199-I202 HydrophobicContact CD2-CD1 4.42Å; L199-I202 WeakPolarHBondContact O-CB 3.47Å; L199-I202 PolarHBondContact O-N 2.86Å; I202-A204 VanDerWaalsContact C-N 3.29Å; I202-A204 PolarHBondContact O-N 2.83Å; I202-A205 WeakPolarHBondContact O-CB 3.32Å; I202-A205 PolarHBondContact O-N 2.76Å
203C96.3Very high90.9Very high0 Ų016.7 Ų16.70%08%0.076CC..Hα-helixtrans-62.5-37.3175.3-620000111.7L90 M108 V110 I121 L199 L200 A205 I206 F207L90-C203 HydrophobicContact CD2-CB 4.09Å; M108-C203 HydrophobicContact SD-CB 4.3Å; V110-C203 HydrophobicContact CG2-CB 4.27Å; I121-C203 HydrophobicContact CD1-CB 3.81Å; L199-C203 PolarHBondContact O-N 3.29Å; L199-C203 PolarHBondContact O-SG 2.84Å; L200-C203 PolarHBondContact O-N 3.04Å; C203-A205 VanDerWaalsContact C-N 3.31Å; C203-A205 PolarHBondContact O-N 2.58Å; C203-I206 PolarHBondContact O-N 2.78Å; C203-F207 PolarHBondContact O-N 3.5Å
204A95.9Very high89.3Confident2 Ų216.2 Ų16.22%0.0178%0.078CC..Hα-helixtrans-64.5-34.3177.500000112.3I121 L134 I145 I174 L200 L201 I202 I206 F207 L208I121-A204 HydrophobicContact CD1-CB 3.91Å; I121-A204 HydrophobicContact CG1-CB 4.33Å; I121-A204 HydrophobicContact CG2-CB 4.34Å; L134-A204 HydrophobicContact CD1-CB 4.41Å; I145-A204 HydrophobicContact CD1-CB 3.47Å; I145-A204 VanDerWaalsContact CD1-CB 3.47Å; I174-A204 HydrophobicContact CD1-CB 4.34Å; L200-A204 VanDerWaalsContact O-CB 3.3Å; L200-A204 WeakPolarHBondContact O-CB 3.31Å; L200-A204 PolarHBondContact O-N 3.29Å; L201-A204 WeakPolarHBondContact O-CB 3.23Å; L201-A204 PolarHBondContact O-N 2.83Å; I202-A204 VanDerWaalsContact C-N 3.29Å; I202-A204 PolarHBondContact O-N 2.83Å; A204-I206 VanDerWaalsContact C-N 3.33Å; A204-I206 PolarHBondContact O-N 3.29Å; A204-F207 PolarHBondContact O-N 3.37Å; A204-L208 WeakPolarHBondContact O-CB 3.47Å; A204-L208 WeakPolarHBondContact O-CG 3.39Å; A204-L208 PolarHBondContact O-N 3.5Å
205A95.1Very high87.6Confident0 Ų013.2 Ų13.20%06%0.062CC..Hα-helixtrans-59.1-45.3173.200000111.8V27 I174 F185 V187 L201 I202 C203 F207 L208 D209V27-A205 HydrophobicContact CB-CB 4.49Å; V27-A205 HydrophobicContact CG2-CB 4.29Å; I174-A205 HydrophobicContact CG2-CB 4.23Å; F185-A205 HydrophobicContact CB-CB 3.88Å; F185-A205 HydrophobicContact CD1-CB 4.3Å; F185-A205 HydrophobicContact CG-CB 4.16Å; V187-A205 HydrophobicContact CG2-CB 3.82Å; L201-A205 PolarHBondContact O-N 2.8Å; L201-A205 VanDerWaalsContact O-N 3.07Å; I202-A205 WeakPolarHBondContact O-CB 3.32Å; I202-A205 PolarHBondContact O-N 2.76Å; C203-A205 VanDerWaalsContact C-N 3.31Å; C203-A205 PolarHBondContact O-N 2.58Å; A205-F207 VanDerWaalsContact C-N 3.34Å; A205-L208 PolarHBondContact O-N 3.35Å; A205-D209 PolarHBondContact O-N 3.09Å
206I92.7Very high85.4Confident0 Ų023.1 Ų23.10%011%0.106CC..Hα-helixtrans-65.1-40.6175.7-57.6174.2000110.7V27 Y44 F57 F75 M77 C203 A204 D209 F210V27-I206 HydrophobicContact CG1-CD1 4.38Å; V27-I206 HydrophobicContact CG1-CG1 3.85Å; Y44-I206 HydrophobicContact CD1-CG1 4.29Å; Y44-I206 HydrophobicContact CD2-CD1 4.39Å; Y44-I206 HydrophobicContact CD2-CG1 4.41Å; Y44-I206 HydrophobicContact CD2-CG2 3.82Å; Y44-I206 HydrophobicContact CE1-CG2 4.45Å; Y44-I206 HydrophobicContact CE2-CG2 3.64Å; Y44-I206 HydrophobicContact CG-CD1 4.23Å; Y44-I206 HydrophobicContact CG-CG1 4.11Å; Y44-I206 HydrophobicContact CG-CG2 4.3Å; F57-I206 HydrophobicContact CB-CD1 4Å; F57-I206 HydrophobicContact CD1-CD1 3.35Å; F57-I206 HydrophobicContact CD2-CD1 3.68Å; F57-I206 HydrophobicContact CE1-CD1 3.66Å; F57-I206 HydrophobicContact CE2-CD1 3.98Å; F57-I206 HydrophobicContact CG-CD1 3.39Å; F57-I206 HydrophobicContact CZ-CD1 3.98Å; F75-I206 HydrophobicContact CE2-CG2 4.26Å; F75-I206 HydrophobicContact CZ-CG2 3.67Å; M77-I206 HydrophobicContact CE-CG2 4.18Å; M77-I206 HydrophobicContact SD-CG2 4.16Å; C203-I206 PolarHBondContact O-N 2.78Å; A204-I206 VanDerWaalsContact C-N 3.33Å; A204-I206 PolarHBondContact O-N 3.29Å; I206-D209 WeakPolarHBondContact O-CB 3.36Å; I206-D209 PolarHBondContact O-N 3.35Å; I206-F210 PolarHBondContact O-N 3.45Å
207F90.3Very high85Confident1 Ų120.6 Ų20.60%0.00410%0.097CC..Hα-helixtrans-65.1-41.2178.5-171.1-143.2000112.7Y106 M108 I121 F132 C203 A204 A205 D209 F210 V211Y106-F207 HydrophobicContact CD1-CE2 4.49Å; M108-F207 HydrophobicContact CB-CD1 4.37Å; M108-F207 HydrophobicContact CB-CD2 4.26Å; M108-F207 HydrophobicContact CB-CE1 4.35Å; M108-F207 HydrophobicContact CB-CE2 4.25Å; M108-F207 HydrophobicContact CB-CG 4.28Å; M108-F207 HydrophobicContact CB-CZ 4.25Å; M108-F207 HydrophobicContact CE-CB 3.55Å; M108-F207 HydrophobicContact CE-CD2 3.58Å; M108-F207 HydrophobicContact CE-CE2 4.44Å; M108-F207 HydrophobicContact CE-CG 3.79Å; M108-F207 HydrophobicContact SD-CB 4.12Å; M108-F207 HydrophobicContact SD-CG 4.46Å; I121-F207 HydrophobicContact CB-CD1 4.14Å; I121-F207 HydrophobicContact CB-CE1 4.38Å; I121-F207 HydrophobicContact CG2-CD1 3.61Å; I121-F207 HydrophobicContact CG2-CE1 3.97Å; F132-F207 HydrophobicContact CD1-CD1 4.15Å; F132-F207 AromaticContact CD1-CE1 3.92Å; F132-F207 HydrophobicContact CD1-CE1 3.92Å; F132-F207 HydrophobicContact CE1-CD1 4.17Å; F132-F207 AromaticContact CE1-CE1 3.89Å; F132-F207 HydrophobicContact CE1-CE1 3.89Å; C203-F207 PolarHBondContact O-N 3.5Å; A204-F207 PolarHBondContact O-N 3.37Å; A205-F207 VanDerWaalsContact C-N 3.34Å; F207-D209 VanDerWaalsContact C-N 3.31Å; F207-D209 PolarHBondContact O-N 2.67Å; F207-F210 WeakPolarHBondContact O-CB 3.43Å; F207-F210 PolarHBondContact O-N 2.81Å; F207-V211 HydrophobicContact CD2-CG2 3.95Å; F207-V211 HydrophobicContact CE2-CG2 3.79Å; F207-V211 HydrophobicContact CG-CG2 4.45Å; F207-V211 HydrophobicContact CZ-CG2 4.17Å; F207-V211 VanDerWaalsContact O-CG2 3.3Å; F207-V211 WeakPolarHBondContact O-CG2 3.49Å; F207-V211 PolarHBondContact O-N 2.9Å
208L88.5Confident84.4Confident2 Ų221.2 Ų21.21%0.0110%0.1CC..Hα-helixtrans-62.5-40.4175.1-72.3170.8000111F132 I145 F160 I174 A204 A205 F210 V211 Y212F132-L208 HydrophobicContact CD2-CD2 3.84Å; F132-L208 HydrophobicContact CE2-CD2 3.48Å; F132-L208 VanDerWaalsContact CE2-CD2 3.48Å; F132-L208 HydrophobicContact CZ-CD2 3.88Å; I145-L208 HydrophobicContact CG2-CD1 4.38Å; F160-L208 HydrophobicContact CB-CD1 4.49Å; F160-L208 HydrophobicContact CD1-CD1 4Å; F160-L208 HydrophobicContact CD1-CD2 3.99Å; F160-L208 HydrophobicContact CD2-CD1 4.03Å; F160-L208 HydrophobicContact CE1-CD1 4.23Å; F160-L208 HydrophobicContact CE1-CD2 3.66Å; F160-L208 HydrophobicContact CE2-CD1 4.24Å; F160-L208 HydrophobicContact CG-CD1 3.91Å; F160-L208 HydrophobicContact CZ-CD1 4.35Å; F160-L208 HydrophobicContact CZ-CD2 4.08Å; I174-L208 HydrophobicContact CD1-CD1 3.89Å; I174-L208 HydrophobicContact CG2-CD1 4.41Å; A204-L208 WeakPolarHBondContact O-CB 3.47Å; A204-L208 WeakPolarHBondContact O-CG 3.39Å; A204-L208 PolarHBondContact O-N 3.5Å; A205-L208 PolarHBondContact O-N 3.35Å; L208-F210 VanDerWaalsContact C-N 3.34Å; L208-F210 PolarHBondContact O-N 3.08Å; L208-V211 PolarHBondContact O-N 2.81Å; L208-Y212 HydrophobicContact CD2-CD2 4Å; L208-Y212 HydrophobicContact CD2-CE2 3.7Å; L208-Y212 WeakPolarHBondContact O-CB 2.98Å; L208-Y212 PolarHBondContact O-N 3.44Å
209D85.6Confident83.7Confident2 Ų222.3 Ų22.31%0.01111%0.105CC..Hα-helixtrans-56.8-50.1174.3-168.847.4000111.5Y44 F185 A205 I206 F207 V211 F213 G214Y44-D209 HydrophobicContact CE1-CB 4.46Å; Y44-D209 WeakPolarHBondContact CE1-OD2 3.15Å; Y44-D209 PolarHBondContact OH-OD2 3.33Å; F185-D209 HydrophobicContact CE1-CB 4.26Å; F185-D209 HydrophobicContact CE2-CB 3.64Å; F185-D209 HydrophobicContact CZ-CB 3.38Å; F185-D209 VanDerWaalsContact CZ-OD1 3.29Å; F185-D209 WeakPolarHBondContact CZ-OD1 3.3Å; A205-D209 PolarHBondContact O-N 3.09Å; I206-D209 WeakPolarHBondContact O-CB 3.36Å; I206-D209 PolarHBondContact O-N 3.35Å; F207-D209 VanDerWaalsContact C-N 3.31Å; F207-D209 PolarHBondContact O-N 2.67Å; D209-V211 PolarHBondContact O-N 2.96Å; D209-F213 WeakPolarHBondContact O-CB 3.04Å; D209-F213 PolarHBondContact O-N 2.91Å; D209-F213 WeakPolarHBondContact OD1-CD2 3.43Å; D209-G214 PolarHBondContact O-N 3.16Å
210F80.1Confident83Confident1 Ų123.5 Ų23.50%0.00411%0.111CC..Hα-helixtrans-60.1-43.9177.1-179.6-94.9000113.1S71 R73 F75 I206 F207 L208 G214S71-F210 VanDerWaalsContact O-CE1 3.26Å; S71-F210 WeakPolarHBondContact O-CE1 3.36Å; S71-F210 WeakPolarHBondContact O-CZ 3.19Å; R73-F210 HydrophobicContact CG-CE2 4.01Å; R73-F210 HydrophobicContact CG-CZ 4.15Å; F75-F210 HydrophobicContact CD2-CD2 4.01Å; F75-F210 HydrophobicContact CD2-CE2 4.29Å; F75-F210 HydrophobicContact CD2-CG 4.41Å; F75-F210 HydrophobicContact CE2-CD2 4.4Å; I206-F210 PolarHBondContact O-N 3.45Å; F207-F210 WeakPolarHBondContact O-CB 3.43Å; F207-F210 PolarHBondContact O-N 2.81Å; L208-F210 VanDerWaalsContact C-N 3.34Å; L208-F210 PolarHBondContact O-N 3.08Å; F210-G214 WeakPolarHBondContact O-CA 3.47Å; F210-G214 PolarHBondContact O-N 2.77Å
211V78.7Confident82.1Confident19 Ų1925 Ų2512%0.11512%0.118CC..Hα-helixtrans-73.7-44.7-176.3172.10000112.5Y106 F132 F207 L208 D209Y106-V211 HydrophobicContact CD1-CG2 3.83Å; Y106-V211 HydrophobicContact CE1-CG2 4.31Å; Y106-V211 HydrophobicContact CG-CG2 4.28Å; F132-V211 HydrophobicContact CZ-CG1 4.19Å; F207-V211 HydrophobicContact CD2-CG2 3.95Å; F207-V211 HydrophobicContact CE2-CG2 3.79Å; F207-V211 HydrophobicContact CG-CG2 4.45Å; F207-V211 HydrophobicContact CZ-CG2 4.17Å; F207-V211 VanDerWaalsContact O-CG2 3.3Å; F207-V211 WeakPolarHBondContact O-CG2 3.49Å; F207-V211 PolarHBondContact O-N 2.9Å; L208-V211 PolarHBondContact O-N 2.81Å; D209-V211 PolarHBondContact O-N 2.96Å
212Y76Confident81Confident56 Ų5626.7 Ų26.722%0.2213%0.126CC..Hα-helixtrans-90.2-32.2-172.3-79.3-89.8000113.8H130 F132 F160 L208H130-Y212 PolarHBondContact ND1-OH 3.38Å; F132-Y212 AromaticContact CE2-CE2 3.91Å; F132-Y212 HydrophobicContact CE2-CE2 3.91Å; F132-Y212 HydrophobicContact CZ-CE2 4.06Å; F160-Y212 HydrophobicContact CE1-CD2 4.3Å; F160-Y212 AromaticContact CE1-CE2 3.7Å; F160-Y212 HydrophobicContact CE1-CE2 3.7Å; F160-Y212 AromaticContact CE1-CZ 3.91Å; F160-Y212 HydrophobicContact CZ-CD2 4.05Å; F160-Y212 AromaticContact CZ-CE2 3.91Å; F160-Y212 HydrophobicContact CZ-CE2 3.91Å; F160-Y212 HydrophobicContact CZ-CG 4.49Å; L208-Y212 HydrophobicContact CD2-CD2 4Å; L208-Y212 HydrophobicContact CD2-CE2 3.7Å; L208-Y212 WeakPolarHBondContact O-CB 2.98Å; L208-Y212 PolarHBondContact O-N 3.44Å
213F73.2Confident79.8Confident48 Ų4828.6 Ų28.621%0.21114%0.135CC..Hα-helixtrans-111.1-17.5-173.5-54.7-62.6000113.3T153 L158 C176 F185 D209T153-F213 HydrophobicContact CG2-CE1 4.41Å; L158-F213 HydrophobicContact CD1-CE1 3.99Å; L158-F213 HydrophobicContact CD1-CE2 4.35Å; L158-F213 HydrophobicContact CD1-CZ 3.42Å; L158-F213 VanDerWaalsContact CD1-CZ 3.42Å; L158-F213 HydrophobicContact CG-CZ 4.27Å; C176-F213 WeakPolarHBondContact SG-CE2 3.46Å; F185-F213 HydrophobicContact CE1-CE2 4.36Å; F185-F213 HydrophobicContact CZ-CD2 4.3Å; F185-F213 HydrophobicContact CZ-CE2 4.09Å; D209-F213 WeakPolarHBondContact O-CB 3.04Å; D209-F213 PolarHBondContact O-N 2.91Å; D209-F213 WeakPolarHBondContact OD1-CD2 3.43Å
214G62.7Low78.6Confident18 Ų1830.8 Ų30.819%0.18615%0.145CC..  trans60.282.6-178.900000109.6D209 F210 K216D209-G214 PolarHBondContact O-N 3.16Å; F210-G214 WeakPolarHBondContact O-CA 3.47Å; F210-G214 PolarHBondContact O-N 2.77Å; G214-K216 WeakPolarHBondContact O-CG 3.18Å; G214-K216 PolarHBondContact O-N 2.97Å
215T57Low77.1Confident12 Ų1233.2 Ų33.27%0.07416%0.156CC..  trans-45109.2-177.3-27.30000110.7V42 Y44V42-T215 HydrophobicContact CG1-CG2 3.63Å; V42-T215 HydrophobicContact CG2-CG2 4.08Å; Y44-T215 WeakPolarHBondContact OH-CG2 3.47Å; Y44-T215 PolarHBondContact OH-OG1 3.27Å
216K45.8Very low75.5Confident239 Ų23936.2 Ų36.2100%1.03917%0.17SC*.  trans-89.40178.5-68.5-173.8-177.8174.70110.7G214G214-K216 WeakPolarHBondContact O-CG 3.18Å; G214-K216 PolarHBondContact O-N 2.97Å

Retrieved 216 of 216 residues in 64.3 ms (Link to these results)

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