A0A087YHH0_POEFO Loading...

N-acetylneuraminate lyase

AlphaFold DB , UniProt , Accession A0A087YHH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 305 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
1M36.4Very low65.3Low241 Ų24196 Ų96100%1.18756%0.563SS**  0129.40-73.2-172.8-91.700106.5
2A26.1Very low68Low92 Ų9289.1 Ų89.176%0.7652%0.521SS*.PPolyproline II helixtrans-60.2145.3179.500000109.6G4A2-G4 PolarHBondContact O-N 2.9Å
3P37.8Very low70.4Confident123 Ų12382.2 Ų82.280%0.79948%0.481SS*.PPolyproline II helixtrans-54135.7171.7-1427.1000108D5P3-D5 PolarHBondContact O-N 3.45Å
4G45.4Very low72.4Confident72 Ų7276.4 Ų76.474%0.74245%0.447SS*.PPolyproline II helixtrans-50.1130.4171.100000108.5A2 D6A2-G4 PolarHBondContact O-N 2.9Å; G4-D6 PolarHBondContact O-N 2.76Å; G4-D6 VanDerWaalsContact O-N 3.07Å
5D52.9Low74.2Confident110 Ų11071.3 Ų71.359%0.58842%0.418SS*.PPolyproline II helixtrans-48.8116.9178.9-157.1-8.1000107.5P3 R7P3-D5 PolarHBondContact O-N 3.45Å; D5-R7 HydrophobicContact CB-CG 3.96Å; D5-R7 PolarHBondContact O-N 2.61Å; D5-R7 IonicContact OD2-CZ 2.94Å; D5-R7 IonicContact OD2-NE 2.8Å; D5-R7 PolarHBondContact OD2-NE 2.6Å; D5-R7 IonicContact OD2-NH2 2.76Å; D5-R7 PolarHBondContact OD2-NH2 2.81Å
6D64.6Low75.7Confident94 Ų9466.9 Ų66.950%0.50339%0.392SS..  trans-7256.9-176.8-164.79.5000109.1G4 K8 R171G4-D6 PolarHBondContact O-N 2.76Å; G4-D6 VanDerWaalsContact O-N 3.07Å; D6-K8 PolarHBondContact O-N 2.82Å; D6-R171 IonicContact OD1-CZ 3.24Å; D6-R171 IonicContact OD1-NE 2.72Å; D6-R171 PolarHBondContact OD1-NE 3.01Å; D6-R171 IonicContact OD1-NH2 2.7Å; D6-R171 IonicContact OD2-CZ 2.87Å; D6-R171 IonicContact OD2-NE 2.63Å; D6-R171 IonicContact OD2-NH2 2.7Å; D6-R171 PolarHBondContact OD2-NH2 2.88Å
7R80.1Confident77.1Confident151 Ų15163 Ų6357%0.5737%0.369SS*.PPolyproline II helixtrans-77.6119.8-176.3-74.4-174.5-173169.99.8108.3D5 V9D5-R7 HydrophobicContact CB-CG 3.96Å; D5-R7 PolarHBondContact O-N 2.61Å; D5-R7 IonicContact OD2-CZ 2.94Å; D5-R7 IonicContact OD2-NE 2.8Å; D5-R7 PolarHBondContact OD2-NE 2.6Å; D5-R7 IonicContact OD2-NH2 2.76Å; D5-R7 PolarHBondContact OD2-NH2 2.81Å; R7-V9 PolarHBondContact O-N 3.07Å
8K90.9Very high78.3Confident71 Ų7159.6 Ų59.631%0.30935%0.349SS..PPolyproline II helixtrans-59127.2168.4-177179.3178.3146.40109.9D6 T10 P192 W194 S195D6-K8 PolarHBondContact O-N 2.82Å; K8-T10 HydrophobicContact CD-CG2 4.31Å; K8-T10 HydrophobicContact CG-CG2 4.12Å; K8-P192 WeakPolarHBondContact CD-O 3.44Å; K8-P192 PolarHBondContact NZ-O 3.27Å; K8-W194 WeakPolarHBondContact CE-O 3.48Å; K8-W194 PolarHBondContact NZ-O 3.44Å; K8-S195 VanDerWaalsContact CG-OG 3.24Å; K8-S195 WeakPolarHBondContact CG-OG 3.35Å
9V94.8Very high79.4Confident4 Ų456.4 Ų56.42%0.02433%0.33CS..PPolyproline II helixtrans-72.6126.7175.3172.70000109.6R7 V13 Y81 I83 Y142 S195 L197R7-V9 PolarHBondContact O-N 3.07Å; V9-V13 HydrophobicContact CG1-CG2 3.87Å; V9-Y81 HydrophobicContact CB-CE2 4.47Å; V9-Y81 HydrophobicContact CG1-CD2 4.13Å; V9-Y81 HydrophobicContact CG1-CE1 4.41Å; V9-Y81 HydrophobicContact CG1-CE2 3.56Å; V9-Y81 HydrophobicContact CG2-CD1 4.33Å; V9-Y81 HydrophobicContact CG2-CD2 4.12Å; V9-Y81 HydrophobicContact CG2-CE2 4.33Å; V9-Y81 HydrophobicContact CG2-CG 4.14Å; V9-I83 HydrophobicContact CG1-CD1 4.25Å; V9-I83 HydrophobicContact CG2-CD1 4.11Å; V9-Y142 WeakPolarHBondContact CG2-OH 3.21Å; V9-S195 PolarHBondContact N-OG 3.33Å; V9-S195 VanDerWaalsContact N-OG 3.08Å; V9-S195 WeakPolarHBondContact O-CB 3.29Å; V9-S195 PolarHBondContact O-OG 3.49Å; V9-L197 HydrophobicContact CB-CD1 4.5Å; V9-L197 HydrophobicContact CG1-CD1 3.72Å; V9-L197 HydrophobicContact CG1-CD2 4.13Å
10T94.6Very high80.4Confident73 Ų7353.7 Ų53.745%0.44831%0.314SS..  trans-143.3160.8-177.456.30000111.5K8 Y81 N213K8-T10 HydrophobicContact CD-CG2 4.31Å; K8-T10 HydrophobicContact CG-CG2 4.12Å; T10-Y81 PolarHBondContact O-OH 2.77Å; T10-N213 VanDerWaalsContact CA-O 3.27Å; T10-N213 WeakPolarHBondContact CA-O 3.23Å; T10-N213 WeakPolarHBondContact CB-O 3.48Å
11G95.2Very high81.2Confident25 Ų2553.5 Ų53.526%0.25831%0.312SS..EExtended strand (participates in β ladder)trans71.3-150.8179.700000112.7N213 G214 A215G11-N213 PolarHBondContact N-O 3.42Å; G11-G214 CarbonylContact O-C 3.3Å; G11-G214 WeakPolarHBondContact O-CA 3.42Å; G11-A215 PolarHBondContact O-N 2.67Å
12L97.9Very high83.9Confident13 Ų1346.1 Ų46.17%0.06829%0.289CS..EExtended strand (participates in β ladder)trans-86.1135.3-172.4-63.9176.7000113.3I44 L204 A215 Y220 G224 V227 D228 I231L12-I44 HydrophobicContact CB-CD1 3.63Å; L12-I44 HydrophobicContact CD1-CD1 4.01Å; L12-I44 HydrophobicContact CG-CD1 4.48Å; L12-L204 HydrophobicContact CD2-CD2 4.38Å; L12-A215 HydrophobicContact CD2-CB 4.08Å; L12-Y220 HydrophobicContact CB-CD2 4.31Å; L12-Y220 HydrophobicContact CD2-CD1 4.18Å; L12-Y220 HydrophobicContact CD2-CD2 3.87Å; L12-Y220 HydrophobicContact CD2-CE1 4.19Å; L12-Y220 HydrophobicContact CD2-CE2 3.8Å; L12-Y220 HydrophobicContact CD2-CG 4.09Å; L12-G224 WeakPolarHBondContact CD1-O 3.21Å; L12-V227 HydrophobicContact CD1-CB 3.84Å; L12-V227 HydrophobicContact CD1-CG1 3.86Å; L12-V227 HydrophobicContact CD2-CB 4.41Å; L12-V227 HydrophobicContact CD2-CG1 3.57Å; L12-V227 HydrophobicContact CG-CG1 4.32Å; L12-D228 HydrophobicContact CD1-CB 4.13Å; L12-I231 HydrophobicContact CD1-CD1 4.39Å; L12-I231 HydrophobicContact CD2-CD1 3.64Å; L12-I231 HydrophobicContact CG-CD1 3.81Å
13V98.7Very high87.3Confident0 Ų049 Ų490%029%0.287CS..EExtended strand (participates in β ladder)trans-125.3108.8173.9-168.30000108.6V9 A15 G46 F48 Y81 L197 A215 V216 G217 Y220V9-V13 HydrophobicContact CG1-CG2 3.87Å; V13-A15 PolarHBondContact O-N 3.28Å; V13-G46 CarbonylContact C-O 3.44Å; V13-G46 VanDerWaalsContact CA-O 3.31Å; V13-G46 WeakPolarHBondContact CA-O 3.46Å; V13-F48 HydrophobicContact CG1-CB 3.93Å; V13-Y81 HydrophobicContact CG1-CE2 4.31Å; V13-Y81 HydrophobicContact CG2-CE2 3.71Å; V13-L197 HydrophobicContact CG2-CD1 4.4Å; V13-A215 WeakPolarHBondContact CB-O 2.89Å; V13-A215 PolarHBondContact N-O 2.98Å; V13-V216 HydrophobicContact CB-CB 4.28Å; V13-V216 HydrophobicContact CB-CG1 4.34Å; V13-V216 HydrophobicContact CB-CG2 3.73Å; V13-V216 HydrophobicContact CG1-CG1 4.4Å; V13-V216 HydrophobicContact CG1-CG2 4.19Å; V13-V216 HydrophobicContact CG2-CG2 4.02Å; V13-V216 VanDerWaalsContact O-CA 3.31Å; V13-V216 WeakPolarHBondContact O-CA 3.29Å; V13-G217 PolarHBondContact O-N 2.89Å; V13-Y220 WeakPolarHBondContact O-CD2 3.44Å
14A98.9Very high90Very high0 Ų044 Ų440%026%0.258CS..EExtended strand (participates in β ladder)trans-72.8121.4179.700000110.3T16 L38 I44 G46 I47 F48A14-T16 PolarHBondContact O-N 3.14Å; A14-L38 HydrophobicContact CB-CD1 4.45Å; A14-L38 HydrophobicContact CB-CD2 4.12Å; A14-I44 HydrophobicContact CB-CG1 4.45Å; A14-I44 HydrophobicContact CB-CG2 3.84Å; A14-G46 PolarHBondContact N-O 3.12Å; A14-I47 CarbonylContact O-C 3.55Å; A14-I47 WeakPolarHBondContact O-CA 3.5Å; A14-F48 PolarHBondContact O-N 3.02Å
15A98.9Very high92.5Very high1 Ų145.9 Ų45.91%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-74.4102.1168.200000108.2V13 F48 T53 V216 G217 N221V13-A15 PolarHBondContact O-N 3.28Å; A15-F48 WeakPolarHBondContact CA-O 3.49Å; A15-F48 HydrophobicContact CB-CD1 4.36Å; A15-T53 VanDerWaalsContact O-CG2 3.24Å; A15-T53 WeakPolarHBondContact O-CG2 3.37Å; A15-V216 HydrophobicContact CB-CG1 4.33Å; A15-G217 PolarHBondContact N-O 2.93Å; A15-N221 PolarHBondContact O-ND2 2.93Å
16T98.9Very high94.7Very high1 Ų142 Ų421%0.00623%0.227CC..  trans-74.2142.4-167.656.30000111.6A14 L38 I47 F48 G54 W71A14-T16 PolarHBondContact O-N 3.14Å; T16-L38 HydrophobicContact CG2-CD1 4.15Å; T16-I47 HydrophobicContact CG2-CB 3.8Å; T16-I47 HydrophobicContact CG2-CG2 3.68Å; T16-F48 PolarHBondContact N-O 3.44Å; T16-F48 VanDerWaalsContact N-O 3.09Å; T16-G54 VanDerWaalsContact O-CA 3.29Å; T16-G54 WeakPolarHBondContact O-CA 3.47Å; T16-G54 PolarHBondContact O-N 2.96Å; T16-W71 HydrophobicContact CG2-CH2 3.57Å; T16-W71 HydrophobicContact CG2-CZ2 3.77Å; T16-W71 HydrophobicContact CG2-CZ3 3.97Å
17F98.9Very high96.3Very high0 Ų039.5 Ų39.50%021%0.214CC..  trans-71.9157.4167.3-66.8-84.6000110.7P19 Y34 T53 N221 T263 N266 K267 M270 L278F17-P19 WeakPolarHBondContact O-CD 3.36Å; F17-Y34 HydrophobicContact CB-CE1 4.41Å; F17-Y34 WeakPolarHBondContact CD2-OH 3.37Å; F17-Y34 PolarHBondContact N-OH 2.92Å; F17-T53 HydrophobicContact CD1-CG2 3.52Å; F17-T53 WeakPolarHBondContact CD1-O 3.45Å; F17-T53 HydrophobicContact CD2-CG2 3.99Å; F17-T53 HydrophobicContact CE1-CG2 3.36Å; F17-T53 HydrophobicContact CE2-CG2 3.83Å; F17-T53 HydrophobicContact CG-CG2 3.85Å; F17-T53 HydrophobicContact CZ-CG2 3.52Å; F17-N221 HydrophobicContact CD2-CB 4.46Å; F17-N221 HydrophobicContact CE2-CB 4.22Å; F17-T263 HydrophobicContact CE1-CG2 4.48Å; F17-N266 HydrophobicContact CE1-CB 4.21Å; F17-N266 HydrophobicContact CZ-CB 4.06Å; F17-K267 HydrophobicContact CB-CG 4.49Å; F17-K267 HydrophobicContact CD1-CB 3.62Å; F17-K267 HydrophobicContact CD1-CD 4.49Å; F17-K267 HydrophobicContact CD1-CG 3.87Å; F17-K267 VanDerWaalsContact CE1-CA 3.44Å; F17-K267 HydrophobicContact CE1-CB 3.7Å; F17-K267 HydrophobicContact CE1-CG 4.43Å; F17-K267 HydrophobicContact CG-CB 4.44Å; F17-K267 HydrophobicContact CG-CG 4.31Å; F17-M270 HydrophobicContact CD2-CB 4.01Å; F17-M270 HydrophobicContact CD2-CG 3.81Å; F17-M270 HydrophobicContact CE2-CB 3.64Å; F17-M270 HydrophobicContact CE2-CG 3.86Å; F17-M270 HydrophobicContact CZ-CB 4.27Å; F17-L278 HydrophobicContact CB-CD1 3.88Å; F17-L278 HydrophobicContact CD2-CD1 4.2Å; F17-L278 HydrophobicContact CG-CD1 4.15Å
18T98.9Very high97.1Very high1 Ų134.8 Ų34.81%0.00620%0.2CC..  trans-95.2111.7170.5-64.30000108.9L20 V26 G54 L59 L67 K267T18-L20 HydrophobicContact CG2-CD2 3.77Å; T18-L20 HydrophobicContact CG2-CG 4.34Å; T18-L20 PolarHBondContact O-N 3.43Å; T18-V26 HydrophobicContact CG2-CG1 4.43Å; T18-V26 HydrophobicContact CG2-CG2 4.38Å; T18-G54 WeakPolarHBondContact OG1-CA 3.42Å; T18-G54 PolarHBondContact OG1-O 2.94Å; T18-L59 HydrophobicContact CG2-CD1 4.17Å; T18-L59 HydrophobicContact CG2-CD2 4.4Å; T18-L67 HydrophobicContact CG2-CD1 4.46Å; T18-L67 HydrophobicContact CG2-CD2 3.64Å; T18-L67 VanDerWaalsContact OG1-CD2 3.24Å; T18-L67 WeakPolarHBondContact OG1-CD2 3.46Å; T18-K267 WeakPolarHBondContact O-CE 3.28Å; T18-K267 PolarHBondContact O-NZ 3.09Å
19P98.7Very high97.5Very high0 Ų035.6 Ų35.60%022%0.215CC..  trans-64.1129.1171.7-15.329000109.7F17 N27 V30 I31 Y34 L278F17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-N27 HydrophobicContact CB-CB 4.18Å; P19-N27 WeakPolarHBondContact CB-O 3.38Å; P19-N27 PolarHBondContact O-N 3.4Å; P19-V30 HydrophobicContact CB-CB 3.89Å; P19-V30 HydrophobicContact CB-CG1 4.23Å; P19-V30 HydrophobicContact CB-CG2 4.25Å; P19-V30 HydrophobicContact CG-CB 3.95Å; P19-V30 HydrophobicContact CG-CG1 4.11Å; P19-I31 HydrophobicContact CG-CG1 4.35Å; P19-Y34 HydrophobicContact CG-CD1 4.49Å; P19-L278 CarbonylContact C-O 3.56Å; P19-L278 VanDerWaalsContact CA-O 3.31Å; P19-L278 WeakPolarHBondContact CA-O 3.46Å; P19-L278 HydrophobicContact CB-CD2 4.27Å; P19-L278 HydrophobicContact CG-CD2 4Å
20L98.6Very high97.7Very high2 Ų236.2 Ų36.21%0.0122%0.218CC..BIsolated β-bridgetrans-119.7149.2174.1-60.9-179.5000109.4T18 E25 V26 L278 G279 R282T18-L20 HydrophobicContact CG2-CD2 3.77Å; T18-L20 HydrophobicContact CG2-CG 4.34Å; T18-L20 PolarHBondContact O-N 3.43Å; L20-E25 CarbonylContact C-O 3.48Å; L20-E25 WeakPolarHBondContact CA-O 3.37Å; L20-V26 HydrophobicContact CD2-CG2 4.15Å; L20-L278 PolarHBondContact N-O 2.85Å; L20-G279 WeakPolarHBondContact O-CA 3.44Å; L20-R282 HydrophobicContact CD1-CB 3.93Å
21D97.2Very high97.9Very high50 Ų5032.7 Ų32.727%0.26720%0.197SC..  trans-82.8-178.1170.470.717.3000112Q23 G24 E25 N27D21-Q23 PolarHBondContact O-N 3.28Å; D21-Q23 VanDerWaalsContact OD1-CA 3.31Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.48Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.4Å; D21-Q23 PolarHBondContact OD1-N 3.43Å; D21-G24 PolarHBondContact O-N 2.79Å; D21-G24 PolarHBondContact OD1-N 2.65Å; D21-E25 PolarHBondContact N-O 2.87Å; D21-E25 PolarHBondContact OD1-N 3.3Å; D21-N27 HydrophobicContact CB-CB 4.48Å
22A94.9Very high98Very high86 Ų8632 Ų3271%0.71119%0.189SC*.THydrogen-bonded Turntrans-67.5-16.9-179.700000113.4
23Q95.6Very high98.1Very high153 Ų15334.2 Ų34.272%0.71520%0.204SC*.THydrogen-bonded Turntrans-90.1-8.4175-67.766.151.200111.5D21D21-Q23 PolarHBondContact O-N 3.28Å; D21-Q23 VanDerWaalsContact OD1-CA 3.31Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.48Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.4Å; D21-Q23 PolarHBondContact OD1-N 3.43Å
24G95.3Very high98.1Very high18 Ų1834.2 Ų34.219%0.18620%0.204CC..SBendtrans87.710.2-178.600000113.4D21 R282D21-G24 PolarHBondContact O-N 2.79Å; D21-G24 PolarHBondContact OD1-N 2.65Å; G24-R282 PolarHBondContact O-NH2 3.43Å
25E97.9Very high98.1Very high111 Ų11134.2 Ų34.252%0.51920%0.204SC..  trans-83153.5176.8-62.8-61.3134.600111.1L20 D21 N27L20-E25 CarbonylContact C-O 3.48Å; L20-E25 WeakPolarHBondContact CA-O 3.37Å; D21-E25 PolarHBondContact N-O 2.87Å; D21-E25 PolarHBondContact OD1-N 3.3Å; E25-N27 PolarHBondContact O-N 3.17Å
26V98.4Very high98.1Very high27 Ų2736.6 Ų36.616%0.16422%0.217CC..BIsolated β-bridgetrans-64.8118.9-179.3-179.70000110.8T18 L20 L28 L59 E63 L67T18-V26 HydrophobicContact CG2-CG1 4.43Å; T18-V26 HydrophobicContact CG2-CG2 4.38Å; L20-V26 HydrophobicContact CD2-CG2 4.15Å; V26-L28 HydrophobicContact CG1-CD2 3.58Å; V26-L28 HydrophobicContact CG1-CG 4.3Å; V26-L28 PolarHBondContact O-N 2.7Å; V26-L59 HydrophobicContact CG2-CD2 4.46Å; V26-E63 HydrophobicContact CG2-CB 3.99Å; V26-E63 HydrophobicContact CG2-CG 4.09Å; V26-L67 HydrophobicContact CG1-CB 4.39Å; V26-L67 HydrophobicContact CG1-CD1 3.98Å
27N98.4Very high98.1Very high42 Ų4237.8 Ų37.823%0.22522%0.222CC..  trans-93.485.8180-174.5-1.2000111.6P19 D21 E25 S29 V30P19-N27 HydrophobicContact CB-CB 4.18Å; P19-N27 WeakPolarHBondContact CB-O 3.38Å; P19-N27 PolarHBondContact O-N 3.4Å; D21-N27 HydrophobicContact CB-CB 4.48Å; E25-N27 PolarHBondContact O-N 3.17Å; N27-S29 PolarHBondContact O-N 2.92Å; N27-S29 PolarHBondContact OD1-N 3.42Å; N27-S29 PolarHBondContact OD1-OG 3.09Å; N27-V30 WeakPolarHBondContact ND2-CG2 3.47Å
28L98.4Very high98.1Very high52 Ų5237.8 Ų37.827%0.27222%0.222SC..G310 helixtrans-64-27-177.7-57.3176.5000113.8V26 V30 I31 V66 E70V26-L28 HydrophobicContact CG1-CD2 3.58Å; V26-L28 HydrophobicContact CG1-CG 4.3Å; V26-L28 PolarHBondContact O-N 2.7Å; L28-V30 PolarHBondContact O-N 2.95Å; L28-V30 VanDerWaalsContact O-N 3.11Å; L28-I31 HydrophobicContact CD2-CD1 4.11Å; L28-I31 WeakPolarHBondContact O-CB 3.46Å; L28-I31 PolarHBondContact O-N 3.45Å; L28-I31 VanDerWaalsContact O-N 3.09Å; L28-V66 HydrophobicContact CD1-CG1 3.46Å; L28-V66 VanDerWaalsContact CD1-CG1 3.46Å; L28-V66 HydrophobicContact CD2-CG1 4Å; L28-V66 HydrophobicContact CG-CG1 4.28Å; L28-E70 HydrophobicContact CB-CG 4.08Å; L28-E70 HydrophobicContact CD2-CB 3.94Å; L28-E70 HydrophobicContact CD2-CG 4.3Å
29S98.3Very high98Very high89 Ų8939.5 Ų39.562%0.62223%0.232SC*.G310 helixtrans-62.1-24.1-174.971.60000113.5N27 P33N27-S29 PolarHBondContact O-N 2.92Å; N27-S29 PolarHBondContact OD1-N 3.42Å; N27-S29 PolarHBondContact OD1-OG 3.09Å; S29-P33 WeakPolarHBondContact O-CD 3.36Å
30V98.5Very high98Very high16 Ų1645.6 Ų45.610%0.09726%0.261CS..G310 helixtrans-80.4-19.8-178.6-176.80000112.1P19 N27 L28 G32 P33 Y34 L276 L278P19-V30 HydrophobicContact CB-CB 3.89Å; P19-V30 HydrophobicContact CB-CG1 4.23Å; P19-V30 HydrophobicContact CB-CG2 4.25Å; P19-V30 HydrophobicContact CG-CB 3.95Å; P19-V30 HydrophobicContact CG-CG1 4.11Å; N27-V30 WeakPolarHBondContact ND2-CG2 3.47Å; L28-V30 PolarHBondContact O-N 2.95Å; L28-V30 VanDerWaalsContact O-N 3.11Å; V30-G32 PolarHBondContact O-N 3.05Å; V30-P33 WeakPolarHBondContact O-CD 3.25Å; V30-Y34 VanDerWaalsContact O-CB 3.25Å; V30-Y34 WeakPolarHBondContact O-CB 3.33Å; V30-Y34 PolarHBondContact O-N 3.16Å; V30-L276 HydrophobicContact CG1-CB 4.31Å; V30-L278 HydrophobicContact CG1-CD2 3.97Å
31I98.8Very high98Very high0 Ų051.9 Ų51.90%029%0.288CS..Hα-helixtrans-66.3-38.8-171.5-61.5-175.1000112.3P19 L28 Y34 V35 L67 E70 W71 R74P19-I31 HydrophobicContact CG-CG1 4.35Å; L28-I31 HydrophobicContact CD2-CD1 4.11Å; L28-I31 WeakPolarHBondContact O-CB 3.46Å; L28-I31 PolarHBondContact O-N 3.45Å; L28-I31 VanDerWaalsContact O-N 3.09Å; I31-Y34 PolarHBondContact O-N 3.29Å; I31-V35 WeakPolarHBondContact O-CG2 3.15Å; I31-V35 PolarHBondContact O-N 2.76Å; I31-L67 HydrophobicContact CD1-CD1 3.47Å; I31-L67 VanDerWaalsContact CD1-CD1 3.47Å; I31-E70 HydrophobicContact CB-CG 3.91Å; I31-E70 HydrophobicContact CD1-CB 3.88Å; I31-E70 HydrophobicContact CD1-CG 3.71Å; I31-E70 HydrophobicContact CG1-CG 4.26Å; I31-E70 HydrophobicContact CG2-CG 4.12Å; I31-W71 HydrophobicContact CD1-CG 4.41Å; I31-W71 HydrophobicContact CG1-CZ2 4.44Å; I31-W71 HydrophobicContact CG2-CD2 3.54Å; I31-W71 HydrophobicContact CG2-CE3 3.56Å; I31-W71 HydrophobicContact CG2-CG 4.04Å; I31-W71 HydrophobicContact CG2-CH2 4.24Å; I31-W71 HydrophobicContact CG2-CZ2 4.2Å; I31-W71 HydrophobicContact CG2-CZ3 3.93Å; I31-R74 HydrophobicContact CG2-CB 4.19Å; I31-R74 HydrophobicContact CG2-CG 4.1Å
32G98.6Very high98.1Very high9 Ų949.9 Ų49.99%0.09328%0.277CS..Hα-helixtrans-57.6-61.4174.400000112.1V30 Y34 V35 D36V30-G32 PolarHBondContact O-N 3.05Å; G32-Y34 PolarHBondContact O-N 2.93Å; G32-Y34 VanDerWaalsContact O-N 3.16Å; G32-V35 WeakPolarHBondContact O-CB 3.43Å; G32-V35 PolarHBondContact O-N 2.99Å; G32-D36 PolarHBondContact O-N 3.48Å; G32-D36 VanDerWaalsContact O-N 3.09Å
33P98.8Very high98.2Very high60 Ų6047.9 Ų47.939%0.3926%0.264SS..Hα-helixtrans-54.4-31.3174.1-28.635.5000114.3S29 V30 D36 Y37 L276S29-P33 WeakPolarHBondContact O-CD 3.36Å; V30-P33 WeakPolarHBondContact O-CD 3.25Å; P33-D36 WeakPolarHBondContact O-CB 3.42Å; P33-D36 PolarHBondContact O-N 2.89Å; P33-Y37 WeakPolarHBondContact O-CB 3.29Å; P33-Y37 PolarHBondContact O-N 2.92Å; P33-L276 HydrophobicContact CB-CD2 3.83Å
34Y98.9Very high98.3Very high0 Ų040.7 Ų40.70%023%0.231CC..Hα-helixtrans-70.3-41.4176.5-163.5174000112F17 P19 V30 I31 G32 D36 Y37 L38 W71 N221 M270 L276 L278F17-Y34 HydrophobicContact CB-CE1 4.41Å; F17-Y34 WeakPolarHBondContact CD2-OH 3.37Å; F17-Y34 PolarHBondContact N-OH 2.92Å; P19-Y34 HydrophobicContact CG-CD1 4.49Å; V30-Y34 VanDerWaalsContact O-CB 3.25Å; V30-Y34 WeakPolarHBondContact O-CB 3.33Å; V30-Y34 PolarHBondContact O-N 3.16Å; I31-Y34 PolarHBondContact O-N 3.29Å; G32-Y34 PolarHBondContact O-N 2.93Å; G32-Y34 VanDerWaalsContact O-N 3.16Å; Y34-D36 VanDerWaalsContact C-N 3.31Å; Y34-D36 PolarHBondContact O-N 3.32Å; Y34-Y37 HydrophobicContact CD2-CD1 4.5Å; Y34-Y37 PolarHBondContact O-N 2.9Å; Y34-L38 HydrophobicContact CD2-CD1 3.89Å; Y34-L38 HydrophobicContact CD2-CD2 4.38Å; Y34-L38 HydrophobicContact CD2-CG 3.74Å; Y34-L38 HydrophobicContact CE2-CD1 3.71Å; Y34-L38 HydrophobicContact CE2-CD2 3.84Å; Y34-L38 HydrophobicContact CE2-CG 3.65Å; Y34-L38 WeakPolarHBondContact O-CB 3.42Å; Y34-L38 WeakPolarHBondContact O-CG 3.41Å; Y34-L38 PolarHBondContact O-N 3.28Å; Y34-W71 AromaticContact CD1-CH2 3.5Å; Y34-W71 HydrophobicContact CD1-CH2 3.5Å; Y34-W71 VanDerWaalsContact CD1-CH2 3.5Å; Y34-W71 AromaticContact CD1-CZ2 3.77Å; Y34-W71 HydrophobicContact CD1-CZ2 3.77Å; Y34-W71 HydrophobicContact CD2-CH2 4.34Å; Y34-W71 AromaticContact CE1-CH2 3.86Å; Y34-W71 HydrophobicContact CE1-CH2 3.86Å; Y34-W71 AromaticContact CE1-CZ2 3.96Å; Y34-W71 HydrophobicContact CE1-CZ2 3.96Å; Y34-W71 AromaticContact CG-CH2 3.74Å; Y34-W71 HydrophobicContact CG-CH2 3.74Å; Y34-W71 HydrophobicContact CG-CZ2 4.46Å; Y34-N221 PolarHBondContact OH-OD1 2.7Å; Y34-M270 HydrophobicContact CD2-CE 3.9Å; Y34-M270 HydrophobicContact CE2-CE 3.28Å; Y34-L276 HydrophobicContact CD2-CD1 3.99Å; Y34-L276 HydrophobicContact CG-CD1 3.98Å; Y34-L278 HydrophobicContact CD1-CD2 4.01Å; Y34-L278 HydrophobicContact CE1-CD2 3.99Å
35V98.9Very high98.3Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-59.4-43.2170.7170.40000110.8I31 G32 Y37 L38 T39 W71 R74 R78 M79I31-V35 WeakPolarHBondContact O-CG2 3.15Å; I31-V35 PolarHBondContact O-N 2.76Å; G32-V35 WeakPolarHBondContact O-CB 3.43Å; G32-V35 PolarHBondContact O-N 2.99Å; V35-Y37 PolarHBondContact O-N 3.46Å; V35-L38 PolarHBondContact O-N 3.4Å; V35-T39 HydrophobicContact CG1-CG2 4.4Å; V35-T39 WeakPolarHBondContact O-CB 3.41Å; V35-T39 WeakPolarHBondContact O-CG2 3.42Å; V35-T39 PolarHBondContact O-N 3.39Å; V35-T39 PolarHBondContact O-OG1 3.31Å; V35-W71 HydrophobicContact CG2-CE3 3.89Å; V35-W71 HydrophobicContact CG2-CZ3 3.62Å; V35-R74 HydrophobicContact CG2-CB 3.95Å; V35-R78 HydrophobicContact CG1-CB 4.24Å; V35-M79 HydrophobicContact CG1-CE 4.14Å; V35-M79 HydrophobicContact CG1-CG 4.42Å; V35-M79 HydrophobicContact CG1-SD 4.31Å; V35-M79 HydrophobicContact CG2-CE 4.48Å; V35-M79 HydrophobicContact CG2-SD 4.46Å
36D98.6Very high98.3Very high52 Ų5240.6 Ų40.628%0.27822%0.223SC..Hα-helixtrans-57.1-51.4175.9-55.7-2000109.9G32 P33 Y34 L38 T39 E40 R78G32-D36 PolarHBondContact O-N 3.48Å; G32-D36 VanDerWaalsContact O-N 3.09Å; P33-D36 WeakPolarHBondContact O-CB 3.42Å; P33-D36 PolarHBondContact O-N 2.89Å; Y34-D36 VanDerWaalsContact C-N 3.31Å; Y34-D36 PolarHBondContact O-N 3.32Å; D36-L38 PolarHBondContact O-N 2.92Å; D36-T39 PolarHBondContact O-N 3.29Å; D36-T39 PolarHBondContact O-OG1 3.21Å; D36-T39 VanDerWaalsContact O-OG1 3.07Å; D36-E40 WeakPolarHBondContact O-CB 3.47Å; D36-E40 VanDerWaalsContact O-CG 3.29Å; D36-E40 WeakPolarHBondContact O-CG 3.41Å; D36-E40 PolarHBondContact O-N 3.25Å; D36-R78 IonicContact OD1-CZ 2.94Å; D36-R78 IonicContact OD1-NH1 2.6Å; D36-R78 PolarHBondContact OD1-NH1 3.09Å; D36-R78 IonicContact OD1-NH2 2.61Å; D36-R78 PolarHBondContact OD1-NH2 3.48Å
37Y98.9Very high98.3Very high26 Ų2639.3 Ų39.310%0.10222%0.216CC..Hα-helixtrans-60.4-46.5-179.8176.5-103.3000112.9P33 Y34 V35 T39 K41 Q42 N221 M270 S274 L276P33-Y37 WeakPolarHBondContact O-CB 3.29Å; P33-Y37 PolarHBondContact O-N 2.92Å; Y34-Y37 HydrophobicContact CD2-CD1 4.5Å; Y34-Y37 PolarHBondContact O-N 2.9Å; V35-Y37 PolarHBondContact O-N 3.46Å; Y37-T39 VanDerWaalsContact C-N 3.35Å; Y37-T39 PolarHBondContact O-N 2.93Å; Y37-K41 HydrophobicContact CD2-CB 3.8Å; Y37-K41 HydrophobicContact CD2-CG 3.56Å; Y37-K41 HydrophobicContact CE2-CB 3.72Å; Y37-K41 HydrophobicContact CE2-CG 3.8Å; Y37-K41 HydrophobicContact CG-CG 4.48Å; Y37-K41 WeakPolarHBondContact O-CA 3.4Å; Y37-K41 VanDerWaalsContact O-CB 3.29Å; Y37-K41 WeakPolarHBondContact O-CB 3.27Å; Y37-K41 PolarHBondContact O-N 3.4Å; Y37-Q42 HydrophobicContact CD1-CG 4.32Å; Y37-Q42 HydrophobicContact CE1-CG 3.84Å; Y37-Q42 PolarHBondContact O-N 2.9Å; Y37-Q42 PolarHBondContact OH-NE2 3.43Å; Y37-N221 WeakPolarHBondContact CE1-O 3.4Å; Y37-M270 HydrophobicContact CD1-CE 3.68Å; Y37-M270 HydrophobicContact CE1-CE 3.46Å; Y37-M270 VanDerWaalsContact CE1-CE 3.46Å; Y37-M270 HydrophobicContact CE1-SD 4.11Å; Y37-S274 VanDerWaalsContact CE1-CB 3.41Å; Y37-L276 HydrophobicContact CD1-CD1 4.38Å; Y37-L276 HydrophobicContact CG-CD1 4.3Å
38L98.9Very high98.3Very high0 Ų037.4 Ų37.40%021%0.206CC..Hα-helixtrans-61.2-43.7178.7-75177.6000111.9A14 T16 Y34 V35 D36 Q42 G43 I44 I47 W71 M79 N221A14-L38 HydrophobicContact CB-CD1 4.45Å; A14-L38 HydrophobicContact CB-CD2 4.12Å; T16-L38 HydrophobicContact CG2-CD1 4.15Å; Y34-L38 HydrophobicContact CD2-CD1 3.89Å; Y34-L38 HydrophobicContact CD2-CD2 4.38Å; Y34-L38 HydrophobicContact CD2-CG 3.74Å; Y34-L38 HydrophobicContact CE2-CD1 3.71Å; Y34-L38 HydrophobicContact CE2-CD2 3.84Å; Y34-L38 HydrophobicContact CE2-CG 3.65Å; Y34-L38 WeakPolarHBondContact O-CB 3.42Å; Y34-L38 WeakPolarHBondContact O-CG 3.41Å; Y34-L38 PolarHBondContact O-N 3.28Å; V35-L38 PolarHBondContact O-N 3.4Å; D36-L38 PolarHBondContact O-N 2.92Å; L38-Q42 CarbonylContact O-C 3.54Å; L38-Q42 WeakPolarHBondContact O-CB 3.34Å; L38-Q42 PolarHBondContact O-N 3.12Å; L38-G43 PolarHBondContact O-N 3.22Å; L38-G43 VanDerWaalsContact O-N 3.12Å; L38-I44 HydrophobicContact CB-CB 4.23Å; L38-I44 HydrophobicContact CD2-CG1 4.4Å; L38-I44 PolarHBondContact O-N 3.29Å; L38-I47 HydrophobicContact CD1-CG2 3.81Å; L38-W71 HydrophobicContact CD1-CH2 4.47Å; L38-W71 HydrophobicContact CD1-CZ3 4.46Å; L38-M79 HydrophobicContact CB-CE 3.67Å; L38-M79 HydrophobicContact CD1-CE 3.91Å; L38-M79 HydrophobicContact CG-CE 4.46Å; L38-N221 HydrophobicContact CD2-CB 4.33Å
39T98.4Very high98.4Very high36 Ų3635 Ų3522%0.22119%0.193CC..Hα-helixtrans-74.4-47-178.452.80000112.1V35 D36 Y37 G43 M79V35-T39 HydrophobicContact CG1-CG2 4.4Å; V35-T39 WeakPolarHBondContact O-CB 3.41Å; V35-T39 WeakPolarHBondContact O-CG2 3.42Å; V35-T39 PolarHBondContact O-N 3.39Å; V35-T39 PolarHBondContact O-OG1 3.31Å; D36-T39 PolarHBondContact O-N 3.29Å; D36-T39 PolarHBondContact O-OG1 3.21Å; D36-T39 VanDerWaalsContact O-OG1 3.07Å; Y37-T39 VanDerWaalsContact C-N 3.35Å; Y37-T39 PolarHBondContact O-N 2.93Å; T39-G43 PolarHBondContact O-N 3.38Å; T39-M79 HydrophobicContact CG2-CE 3.84Å; T39-M79 HydrophobicContact CG2-CG 3.9Å
40E98.2Very high98.4Very high129 Ų12930.8 Ų30.860%0.60316%0.163SC*.Hα-helixtrans-85.8-34.4-170.2-63.1176-165.800113.9D36D36-E40 WeakPolarHBondContact O-CB 3.47Å; D36-E40 VanDerWaalsContact O-CG 3.29Å; D36-E40 WeakPolarHBondContact O-CG 3.41Å; D36-E40 PolarHBondContact O-N 3.25Å
41K98.3Very high98.4Very high133 Ų13330.1 Ų30.158%0.57816%0.159SC*.THydrogen-bonded Turntrans-101-35.3-177.1-55.1-55.4-174.8-175.30112.7Y37Y37-K41 HydrophobicContact CD2-CB 3.8Å; Y37-K41 HydrophobicContact CD2-CG 3.56Å; Y37-K41 HydrophobicContact CE2-CB 3.72Å; Y37-K41 HydrophobicContact CE2-CG 3.8Å; Y37-K41 HydrophobicContact CG-CG 4.48Å; Y37-K41 WeakPolarHBondContact O-CA 3.4Å; Y37-K41 VanDerWaalsContact O-CB 3.29Å; Y37-K41 WeakPolarHBondContact O-CB 3.27Å; Y37-K41 PolarHBondContact O-N 3.4Å
42Q98.6Very high98.4Very high9 Ų931.5 Ų31.54%0.04217%0.168CC..THydrogen-bonded Turntrans-104-8.9-173.2-55.9-62.6-34.400113.4Y37 L38 I44 N221 Y222 G224 C225Y37-Q42 HydrophobicContact CD1-CG 4.32Å; Y37-Q42 HydrophobicContact CE1-CG 3.84Å; Y37-Q42 PolarHBondContact O-N 2.9Å; Y37-Q42 PolarHBondContact OH-NE2 3.43Å; L38-Q42 CarbonylContact O-C 3.54Å; L38-Q42 WeakPolarHBondContact O-CB 3.34Å; L38-Q42 PolarHBondContact O-N 3.12Å; Q42-I44 HydrophobicContact CB-CG1 3.76Å; Q42-I44 PolarHBondContact O-N 3.02Å; Q42-N221 WeakPolarHBondContact CG-O 3.4Å; Q42-Y222 PolarHBondContact NE2-O 2.85Å; Q42-Y222 PolarHBondContact OE1-O 3Å; Q42-G224 CarbonylContact O-C 3.48Å; Q42-G224 VanDerWaalsContact O-C 3.3Å; Q42-C225 PolarHBondContact O-N 2.79Å
43G97.8Very high98.4Very high43 Ų4331.8 Ų31.844%0.44317%0.168SC..  trans6717.2-17900000114L38 T39L38-G43 PolarHBondContact O-N 3.22Å; L38-G43 VanDerWaalsContact O-N 3.12Å; T39-G43 PolarHBondContact O-N 3.38Å
44I98.1Very high98.4Very high2 Ų228.9 Ų28.91%0.0115%0.149CC..  trans-82.3127.7-174.6-61.2-61.4000110.4L12 A14 L38 Q42 G46L12-I44 HydrophobicContact CB-CD1 3.63Å; L12-I44 HydrophobicContact CD1-CD1 4.01Å; L12-I44 HydrophobicContact CG-CD1 4.48Å; A14-I44 HydrophobicContact CB-CG1 4.45Å; A14-I44 HydrophobicContact CB-CG2 3.84Å; L38-I44 HydrophobicContact CB-CB 4.23Å; L38-I44 HydrophobicContact CD2-CG1 4.4Å; L38-I44 PolarHBondContact O-N 3.29Å; Q42-I44 HydrophobicContact CB-CG1 3.76Å; Q42-I44 PolarHBondContact O-N 3.02Å; I44-G46 WeakPolarHBondContact CG2-O 3.49Å
45K94.4Very high98.4Very high127 Ų12729.2 Ų29.255%0.55215%0.151SC*.  trans-108.5-7.7177.8-57.2-175.8-174.7174.80113.8M79 D80K45-M79 CarbonylContact O-C 3.6Å; K45-M79 WeakPolarHBondContact O-CB 3.41Å; K45-D80 HydrophobicContact CB-CB 4.24Å; K45-D80 WeakPolarHBondContact CB-OD2 3.36Å; K45-D80 VanDerWaalsContact CD-OD2 3.23Å; K45-D80 WeakPolarHBondContact CD-OD2 3.35Å; K45-D80 PolarHBondContact O-N 3.07Å
46G98.2Very high98.3Very high0 Ų029.5 Ų29.50%015%0.153CC..EExtended strand (participates in β ladder)trans-131.6140.3-176.800000112.4V13 A14 I44 Y81V13-G46 CarbonylContact C-O 3.44Å; V13-G46 VanDerWaalsContact CA-O 3.31Å; V13-G46 WeakPolarHBondContact CA-O 3.46Å; A14-G46 PolarHBondContact N-O 3.12Å; I44-G46 WeakPolarHBondContact CG2-O 3.49Å; G46-Y81 WeakPolarHBondContact CA-O 3.24Å
47I98.9Very high98.2Very high0 Ų031.7 Ų31.70%016%0.162CC..EExtended strand (participates in β ladder)trans-128.1146.9175.856.3170.6000112.9A14 T16 L38 V49 W71 A75 M79 Y81 V82 I83A14-I47 CarbonylContact O-C 3.55Å; A14-I47 WeakPolarHBondContact O-CA 3.5Å; T16-I47 HydrophobicContact CG2-CB 3.8Å; T16-I47 HydrophobicContact CG2-CG2 3.68Å; L38-I47 HydrophobicContact CD1-CG2 3.81Å; I47-V49 HydrophobicContact CD1-CG2 3.84Å; I47-V49 HydrophobicContact CG1-CG2 4.21Å; I47-W71 HydrophobicContact CD1-CB 4.33Å; I47-W71 HydrophobicContact CD1-CD2 3.95Å; I47-W71 HydrophobicContact CD1-CE3 3.3Å; I47-W71 HydrophobicContact CD1-CG 4.4Å; I47-W71 HydrophobicContact CD1-CZ3 3.9Å; I47-A75 HydrophobicContact CD1-CB 4.31Å; I47-M79 HydrophobicContact CB-SD 4.36Å; I47-M79 HydrophobicContact CD1-SD 3.88Å; I47-M79 HydrophobicContact CG1-SD 3.91Å; I47-M79 HydrophobicContact CG2-CE 3.64Å; I47-M79 HydrophobicContact CG2-SD 3.6Å; I47-M79 VanDerWaalsContact CG2-SD 3.6Å; I47-Y81 PolarHBondContact N-O 2.69Å; I47-Y81 VanDerWaalsContact N-O 3.1Å; I47-V82 HydrophobicContact CD1-CG1 4.04Å; I47-V82 HydrophobicContact CD1-CG2 3.97Å; I47-V82 HydrophobicContact CG1-CB 4.24Å; I47-V82 HydrophobicContact CG1-CG1 4.06Å; I47-V82 HydrophobicContact CG1-CG2 3.92Å; I47-I83 PolarHBondContact O-N 3.1Å
48F98.9Very high98.2Very high3 Ų332.2 Ų32.21%0.01317%0.17CC..EExtended strand (participates in β ladder)trans-116.6102.2174.6-176.9-92.3000109.4V13 A14 A15 T16 I83 H85 A110 Y144 K174 V216V13-F48 HydrophobicContact CG1-CB 3.93Å; A14-F48 PolarHBondContact O-N 3.02Å; A15-F48 WeakPolarHBondContact CA-O 3.49Å; A15-F48 HydrophobicContact CB-CD1 4.36Å; T16-F48 PolarHBondContact N-O 3.44Å; T16-F48 VanDerWaalsContact N-O 3.09Å; F48-I83 CarbonylContact C-O 3.54Å; F48-I83 WeakPolarHBondContact CA-O 3.48Å; F48-I83 HydrophobicContact CD2-CB 4.09Å; F48-I83 HydrophobicContact CD2-CG2 3.8Å; F48-I83 HydrophobicContact CE2-CG2 4.06Å; F48-H85 HydrophobicContact CE1-CB 3.87Å; F48-H85 HydrophobicContact CE2-CB 4.32Å; F48-H85 HydrophobicContact CZ-CB 3.64Å; F48-A110 HydrophobicContact CE2-CB 3.48Å; F48-A110 VanDerWaalsContact CE2-CB 3.48Å; F48-A110 HydrophobicContact CZ-CB 4Å; F48-Y144 HydrophobicContact CE1-CD1 4.33Å; F48-Y144 HydrophobicContact CE1-CE1 4.23Å; F48-Y144 AromaticContact CZ-CD1 3.91Å; F48-Y144 HydrophobicContact CZ-CD1 3.91Å; F48-Y144 HydrophobicContact CZ-CE1 4.27Å; F48-Y144 HydrophobicContact CZ-CG 4.3Å; F48-K174 HydrophobicContact CE1-CD 4.29Å; F48-K174 HydrophobicContact CE2-CD 4.13Å; F48-K174 HydrophobicContact CZ-CD 3.98Å; F48-V216 HydrophobicContact CB-CG1 3.58Å; F48-V216 HydrophobicContact CD1-CG1 4.17Å; F48-V216 HydrophobicContact CD2-CG1 4.15Å; F48-V216 HydrophobicContact CG-CG1 3.73Å
49V98.9Very high98.2Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-91149-171.3179.90000110.3I47 G51 W71 V82 I83 H85I47-V49 HydrophobicContact CD1-CG2 3.84Å; I47-V49 HydrophobicContact CG1-CG2 4.21Å; V49-G51 VanDerWaalsContact C-N 3.28Å; V49-G51 PolarHBondContact O-N 3.33Å; V49-W71 HydrophobicContact CG1-CB 4.33Å; V49-W71 VanDerWaalsContact CG1-CD1 3.41Å; V49-W71 HydrophobicContact CG1-CG 3.99Å; V49-W71 HydrophobicContact CG2-CB 3.8Å; V49-W71 HydrophobicContact CG2-CD2 4.13Å; V49-W71 HydrophobicContact CG2-CG 3.66Å; V49-V82 HydrophobicContact CG2-CG1 3.89Å; V49-I83 PolarHBondContact N-O 3.32Å; V49-H85 WeakPolarHBondContact O-CB 3.17Å; V49-H85 PolarHBondContact O-N 3.1Å
50N98.8Very high98.2Very high2 Ų233.9 Ų33.91%0.01118%0.182CC..THydrogen-bonded Turntrans5934.3178.6-64.7-24.3000113.5S56 R64 L67 H85N50-S56 WeakPolarHBondContact O-CB 3.5Å; N50-S56 PolarHBondContact O-OG 3.06Å; N50-R64 PolarHBondContact ND2-O 3.48Å; N50-R64 VanDerWaalsContact ND2-O 3.11Å; N50-L67 WeakPolarHBondContact OD1-CD2 3.39Å; N50-H85 HydrophobicContact CB-CB 4.44Å; N50-H85 WeakPolarHBondContact CB-O 3.41Å; N50-H85 VanDerWaalsContact O-CB 3.28Å; N50-H85 WeakPolarHBondContact O-CB 3.09Å; N50-H85 PolarHBondContact O-ND1 2.86Å
51G98.6Very high98.2Very high1 Ų129.4 Ų29.41%0.0116%0.163CC..SBendtrans-77.6-161.1173.700000114V49 T53 G54 E55 S56V49-G51 VanDerWaalsContact C-N 3.28Å; V49-G51 PolarHBondContact O-N 3.33Å; G51-T53 VanDerWaalsContact C-N 3.35Å; G51-G54 PolarHBondContact O-N 3.43Å; G51-E55 PolarHBondContact O-N 2.97Å; G51-S56 WeakPolarHBondContact O-CB 3.27Å; G51-S56 PolarHBondContact O-N 3.29Å; G51-S56 VanDerWaalsContact O-N 3.17Å; G51-S56 PolarHBondContact O-OG 3.05Å
52T98.6Very high98.3Very high29 Ų2926.1 Ų26.118%0.17816%0.161CC..THydrogen-bonded Turntrans-63-44.4166.5-51.70000110.5G54 E55 Y144 F149T52-G54 VanDerWaalsContact C-N 3.27Å; T52-G54 PolarHBondContact O-N 3.5Å; T52-E55 PolarHBondContact O-N 3.03Å; T52-Y144 PolarHBondContact OG1-OH 3.04Å; T52-F149 HydrophobicContact CG2-CD1 3.92Å; T52-F149 HydrophobicContact CG2-CD2 4.4Å; T52-F149 HydrophobicContact CG2-CE1 3.46Å; T52-F149 VanDerWaalsContact CG2-CE1 3.46Å; T52-F149 HydrophobicContact CG2-CE2 3.99Å; T52-F149 HydrophobicContact CG2-CG 4.37Å; T52-F149 HydrophobicContact CG2-CZ 3.5Å
53T98.8Very high98.3Very high15 Ų1527.2 Ų27.29%0.09217%0.166CC..THydrogen-bonded Turntrans-61.3-34.5175.6-46.70000112.7A15 F17 G51 E55 S218A15-T53 VanDerWaalsContact O-CG2 3.24Å; A15-T53 WeakPolarHBondContact O-CG2 3.37Å; F17-T53 HydrophobicContact CD1-CG2 3.52Å; F17-T53 WeakPolarHBondContact CD1-O 3.45Å; F17-T53 HydrophobicContact CD2-CG2 3.99Å; F17-T53 HydrophobicContact CE1-CG2 3.36Å; F17-T53 HydrophobicContact CE2-CG2 3.83Å; F17-T53 HydrophobicContact CG-CG2 3.85Å; F17-T53 HydrophobicContact CZ-CG2 3.52Å; G51-T53 VanDerWaalsContact C-N 3.35Å; T53-E55 PolarHBondContact O-N 3.11Å; T53-S218 WeakPolarHBondContact OG1-CB 3.41Å
54G98.7Very high98.3Very high0 Ų025.4 Ų25.40%015%0.146CC..THydrogen-bonded Turntrans-82.211.1174.400000114.2T16 T18 G51 T52 S56T16-G54 VanDerWaalsContact O-CA 3.29Å; T16-G54 WeakPolarHBondContact O-CA 3.47Å; T16-G54 PolarHBondContact O-N 2.96Å; T18-G54 WeakPolarHBondContact OG1-CA 3.42Å; T18-G54 PolarHBondContact OG1-O 2.94Å; G51-G54 PolarHBondContact O-N 3.43Å; T52-G54 VanDerWaalsContact C-N 3.27Å; T52-G54 PolarHBondContact O-N 3.5Å; G54-S56 PolarHBondContact O-N 3.22Å; G54-S56 VanDerWaalsContact O-N 3.11Å
55E98.6Very high98.4Very high7 Ų727.5 Ų27.53%0.03316%0.155CC..THydrogen-bonded Turntrans58.528.9174.3-51.8178.1-115.500113.6G51 T52 T53 M57 S58 L59 T263 K267 P281 R282 L285G51-E55 PolarHBondContact O-N 2.97Å; T52-E55 PolarHBondContact O-N 3.03Å; T53-E55 PolarHBondContact O-N 3.11Å; E55-M57 VanDerWaalsContact C-N 3.26Å; E55-M57 PolarHBondContact O-N 3.37Å; E55-S58 WeakPolarHBondContact O-CA 3.29Å; E55-S58 WeakPolarHBondContact O-CB 3.47Å; E55-S58 PolarHBondContact O-N 3.05Å; E55-L59 PolarHBondContact O-N 3.45Å; E55-T263 HydrophobicContact CG-CG2 4.01Å; E55-K267 IonicContact OE1-NZ 3.51Å; E55-K267 PolarHBondContact OE1-NZ 3.15Å; E55-P281 WeakPolarHBondContact OE2-CA 3.35Å; E55-P281 WeakPolarHBondContact OE2-CB 3.45Å; E55-R282 PolarHBondContact OE2-N 2.94Å; E55-L285 HydrophobicContact CG-CD1 4.17Å
56S97.6Very high98.6Very high6 Ų624.5 Ų24.54%0.04215%0.147CC..THydrogen-bonded Turntrans-58.3-28.5-165.751.90000116.8N50 G51 G54 S58 L59N50-S56 WeakPolarHBondContact O-CB 3.5Å; N50-S56 PolarHBondContact O-OG 3.06Å; G51-S56 WeakPolarHBondContact O-CB 3.27Å; G51-S56 PolarHBondContact O-N 3.29Å; G51-S56 VanDerWaalsContact O-N 3.17Å; G51-S56 PolarHBondContact O-OG 3.05Å; G54-S56 PolarHBondContact O-N 3.22Å; G54-S56 VanDerWaalsContact O-N 3.11Å; S56-S58 VanDerWaalsContact C-N 3.26Å; S56-L59 PolarHBondContact O-N 3.32Å
57M96.8Very high98.6Very high97 Ų9724.5 Ų24.548%0.47815%0.147SC..THydrogen-bonded Turntrans-81.6-6.6177.2-61.4-64.5161.800112.9E55 G87 M89 I112E55-M57 VanDerWaalsContact C-N 3.26Å; E55-M57 PolarHBondContact O-N 3.37Å; M57-G87 VanDerWaalsContact CE-O 3.29Å; M57-G87 WeakPolarHBondContact CE-O 3.48Å; M57-M89 HydrophobicContact CE-CE 4.13Å; M57-M89 HydrophobicContact SD-CE 4.18Å; M57-I112 HydrophobicContact CE-CG2 3.84Å
58S98.1Very high98.6Very high37 Ų3724.5 Ų24.526%0.25915%0.147SC..THydrogen-bonded Turntrans-96.5-11171-51.40000112.4E55 S56 R282E55-S58 WeakPolarHBondContact O-CA 3.29Å; E55-S58 WeakPolarHBondContact O-CB 3.47Å; E55-S58 PolarHBondContact O-N 3.05Å; S56-S58 VanDerWaalsContact C-N 3.26Å; S58-R282 WeakPolarHBondContact O-CD 3.44Å; S58-R282 PolarHBondContact O-NH1 3.32Å
59L98.6Very high98.6Very high15 Ų1528.6 Ų28.68%0.07917%0.166CC..SBendtrans-95140.8179-57.8-176.8000111T18 V26 E55 S56 E63 R64 L67T18-L59 HydrophobicContact CG2-CD1 4.17Å; T18-L59 HydrophobicContact CG2-CD2 4.4Å; V26-L59 HydrophobicContact CG2-CD2 4.46Å; E55-L59 PolarHBondContact O-N 3.45Å; S56-L59 PolarHBondContact O-N 3.32Å; L59-E63 HydrophobicContact CB-CB 4.26Å; L59-R64 HydrophobicContact CB-CG 3.69Å; L59-R64 HydrophobicContact CD1-CG 4.11Å; L59-L67 HydrophobicContact CD1-CD2 3.76Å
60S98.8Very high98.6Very high56 Ų5630 Ų3039%0.39217%0.173SC..  trans-6616116768.30000111.3A62 E63 R64S60-A62 PolarHBondContact O-N 2.97Å; S60-E63 WeakPolarHBondContact CB-OE2 3.44Å; S60-E63 PolarHBondContact N-OE2 3.5Å; S60-E63 PolarHBondContact O-N 3.36Å; S60-E63 VanDerWaalsContact OG-CG 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.25Å; S60-E63 PolarHBondContact OG-N 3.39Å; S60-E63 PolarHBondContact OG-OE2 3.36Å; S60-R64 WeakPolarHBondContact O-CG 3.09Å; S60-R64 PolarHBondContact O-N 2.99Å
61V98.9Very high98.6Very high36 Ų3629.9 Ų29.922%0.21817%0.172CC..Hα-helixtrans-57.1-39.9173.71730000111.1R64 K65 D93 D96 L97V61-R64 PolarHBondContact O-N 3.35Å; V61-K65 HydrophobicContact CG1-CD 4.33Å; V61-K65 VanDerWaalsContact O-CG 3.32Å; V61-K65 WeakPolarHBondContact O-CG 3.21Å; V61-K65 PolarHBondContact O-N 3.01Å; V61-K65 VanDerWaalsContact O-N 3.09Å; V61-D93 HydrophobicContact CG2-CB 3.85Å; V61-D96 WeakPolarHBondContact CG1-OD2 3.21Å; V61-L97 HydrophobicContact CG1-CD2 3.98Å; V61-L97 HydrophobicContact CG1-CG 4.2Å
62A98.8Very high98.6Very high64 Ų6430.5 Ų30.553%0.52918%0.176SC..Hα-helixtrans-63.1-45.7178.900000111.9S60 K65 V66S60-A62 PolarHBondContact O-N 2.97Å; A62-K65 WeakPolarHBondContact O-CB 3.39Å; A62-K65 PolarHBondContact O-N 2.89Å; A62-V66 WeakPolarHBondContact O-CG2 3.21Å; A62-V66 PolarHBondContact O-N 3.08Å; A62-V66 VanDerWaalsContact O-N 3.1Å
63E98.9Very high98.6Very high31 Ų3134.3 Ų34.315%0.14520%0.195CC..Hα-helixtrans-63.8-42.7177.2-71.4167117.200112V26 L59 S60 K65 V66 L67 R282V26-E63 HydrophobicContact CG2-CB 3.99Å; V26-E63 HydrophobicContact CG2-CG 4.09Å; L59-E63 HydrophobicContact CB-CB 4.26Å; S60-E63 WeakPolarHBondContact CB-OE2 3.44Å; S60-E63 PolarHBondContact N-OE2 3.5Å; S60-E63 PolarHBondContact O-N 3.36Å; S60-E63 VanDerWaalsContact OG-CG 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.25Å; S60-E63 PolarHBondContact OG-N 3.39Å; S60-E63 PolarHBondContact OG-OE2 3.36Å; E63-K65 VanDerWaalsContact C-N 3.25Å; E63-K65 PolarHBondContact O-N 3.19Å; E63-V66 PolarHBondContact O-N 3Å; E63-L67 WeakPolarHBondContact O-CB 3.31Å; E63-L67 PolarHBondContact O-N 3.34Å; E63-R282 VanDerWaalsContact CD-NH1 3.3Å; E63-R282 IonicContact OE1-CZ 2.82Å; E63-R282 VanDerWaalsContact OE1-CZ 3.23Å; E63-R282 IonicContact OE1-NH1 3.62Å; E63-R282 PolarHBondContact OE1-NH1 2.87Å; E63-R282 IonicContact OE1-NH2 2.85Å; E63-R282 PolarHBondContact OE1-NH2 2.91Å; E63-R282 IonicContact OE2-CZ 2.75Å; E63-R282 IonicContact OE2-NH1 3.81Å; E63-R282 PolarHBondContact OE2-NH1 2.58Å
64R98.9Very high98.6Very high6 Ų638.8 Ų38.82%0.02321%0.21CC..Hα-helixtrans-60.5-35.5176.8-73177.868.4173.8-0.8112.5N50 L59 S60 V61 A68 H85 V86 G87 C88 L97N50-R64 PolarHBondContact ND2-O 3.48Å; N50-R64 VanDerWaalsContact ND2-O 3.11Å; L59-R64 HydrophobicContact CB-CG 3.69Å; L59-R64 HydrophobicContact CD1-CG 4.11Å; S60-R64 WeakPolarHBondContact O-CG 3.09Å; S60-R64 PolarHBondContact O-N 2.99Å; V61-R64 PolarHBondContact O-N 3.35Å; R64-A68 VanDerWaalsContact O-CB 3.25Å; R64-A68 WeakPolarHBondContact O-CB 3.44Å; R64-A68 PolarHBondContact O-N 3.16Å; R64-H85 PolarHBondContact NH2-O 3.49Å; R64-V86 VanDerWaalsContact NH2-C 3.32Å; R64-G87 PolarHBondContact NH1-O 3.03Å; R64-G87 PolarHBondContact NH2-O 3.35Å; R64-C88 PolarHBondContact NH1-SG 2.87Å; R64-L97 HydrophobicContact CB-CD2 3.86Å
65K98.9Very high98.6Very high46 Ų4638.9 Ų38.920%0.221%0.211CC..Hα-helixtrans-66.7-52.5175.8-74.3178.81691780111.4V61 A62 E63 L67 A68 E69 D96 L97 H100V61-K65 HydrophobicContact CG1-CD 4.33Å; V61-K65 VanDerWaalsContact O-CG 3.32Å; V61-K65 WeakPolarHBondContact O-CG 3.21Å; V61-K65 PolarHBondContact O-N 3.01Å; V61-K65 VanDerWaalsContact O-N 3.09Å; A62-K65 WeakPolarHBondContact O-CB 3.39Å; A62-K65 PolarHBondContact O-N 2.89Å; E63-K65 VanDerWaalsContact C-N 3.25Å; E63-K65 PolarHBondContact O-N 3.19Å; K65-L67 VanDerWaalsContact C-N 3.31Å; K65-L67 PolarHBondContact O-N 3.29Å; K65-A68 PolarHBondContact O-N 2.93Å; K65-E69 WeakPolarHBondContact O-CG 3.48Å; K65-E69 PolarHBondContact O-N 2.98Å; K65-D96 VanDerWaalsContact CE-OD2 3.29Å; K65-D96 WeakPolarHBondContact CE-OD2 3.24Å; K65-D96 IonicContact NZ-OD1 3.18Å; K65-D96 PolarHBondContact NZ-OD1 2.83Å; K65-D96 IonicContact NZ-OD2 2.64Å; K65-D96 PolarHBondContact NZ-OD2 2.87Å; K65-L97 HydrophobicContact CG-CD2 3.8Å; K65-H100 VanDerWaalsContact CA-CE1 3.49Å; K65-H100 WeakPolarHBondContact CA-CE1 3.48Å; K65-H100 HydrophobicContact CD-CB 4.37Å; K65-H100 HydrophobicContact CG-CB 4.21Å; K65-H100 PolarHBondContact O-CE1 2.85Å
66V98.8Very high98.5Very high63 Ų6347 Ų4738%0.38225%0.246SC..Hα-helixtrans-63.1-40.2-179.5176.10000111.2L28 A62 E63 E69 E70L28-V66 HydrophobicContact CD1-CG1 3.46Å; L28-V66 VanDerWaalsContact CD1-CG1 3.46Å; L28-V66 HydrophobicContact CD2-CG1 4Å; L28-V66 HydrophobicContact CG-CG1 4.28Å; A62-V66 WeakPolarHBondContact O-CG2 3.21Å; A62-V66 PolarHBondContact O-N 3.08Å; A62-V66 VanDerWaalsContact O-N 3.1Å; E63-V66 PolarHBondContact O-N 3Å; V66-E69 WeakPolarHBondContact O-CB 3.35Å; V66-E69 PolarHBondContact O-N 3.25Å; V66-E70 PolarHBondContact O-N 3.39Å; V66-E70 VanDerWaalsContact O-N 3.12Å
67L98.8Very high98.3Very high0 Ų050.7 Ų50.70%029%0.285CS..Hα-helixtrans-62.9-45.7175.7-178.658.3000111.9T18 V26 I31 N50 L59 E63 K65 E70 W71T18-L67 HydrophobicContact CG2-CD1 4.46Å; T18-L67 HydrophobicContact CG2-CD2 3.64Å; T18-L67 VanDerWaalsContact OG1-CD2 3.24Å; T18-L67 WeakPolarHBondContact OG1-CD2 3.46Å; V26-L67 HydrophobicContact CG1-CB 4.39Å; V26-L67 HydrophobicContact CG1-CD1 3.98Å; I31-L67 HydrophobicContact CD1-CD1 3.47Å; I31-L67 VanDerWaalsContact CD1-CD1 3.47Å; N50-L67 WeakPolarHBondContact OD1-CD2 3.39Å; L59-L67 HydrophobicContact CD1-CD2 3.76Å; E63-L67 WeakPolarHBondContact O-CB 3.31Å; E63-L67 PolarHBondContact O-N 3.34Å; K65-L67 VanDerWaalsContact C-N 3.31Å; K65-L67 PolarHBondContact O-N 3.29Å; L67-E70 PolarHBondContact O-N 2.91Å; L67-W71 PolarHBondContact O-N 2.91Å
68A98.9Very high98.3Very high1 Ų151.1 Ų51.11%0.00828%0.281CS..Hα-helixtrans-65.5-38.2177.700000112.5R64 K65 W71 C72 V84 I104R64-A68 VanDerWaalsContact O-CB 3.25Å; R64-A68 WeakPolarHBondContact O-CB 3.44Å; R64-A68 PolarHBondContact O-N 3.16Å; K65-A68 PolarHBondContact O-N 2.93Å; A68-W71 PolarHBondContact O-N 3.42Å; A68-C72 WeakPolarHBondContact O-CB 3.2Å; A68-C72 PolarHBondContact O-N 3.46Å; A68-C72 PolarHBondContact O-SG 3.34Å; A68-V84 HydrophobicContact CB-CG1 3.98Å; A68-V84 HydrophobicContact CB-CG2 4.2Å; A68-I104 HydrophobicContact CB-CD1 3.84Å; A68-I104 WeakPolarHBondContact O-CD1 3.12Å
69E98.9Very high98.2Very high89 Ų8950.3 Ų50.342%0.41627%0.273SS..Hα-helixtrans-55.9-51.3173.4-81.8168.3-171.600111.3K65 V66 C72 L73 H100 I104K65-E69 WeakPolarHBondContact O-CG 3.48Å; K65-E69 PolarHBondContact O-N 2.98Å; V66-E69 WeakPolarHBondContact O-CB 3.35Å; V66-E69 PolarHBondContact O-N 3.25Å; E69-C72 PolarHBondContact O-N 3.1Å; E69-L73 VanDerWaalsContact O-CB 3.29Å; E69-L73 WeakPolarHBondContact O-CB 3.31Å; E69-L73 PolarHBondContact O-N 3.21Å; E69-H100 IonicContact OE1-CD2 3.23Å; E69-H100 IonicContact OE1-CE1 3.96Å; E69-H100 IonicContact OE1-NE2 2.94Å; E69-H100 PolarHBondContact OE1-NE2 3.03Å; E69-I104 HydrophobicContact CG-CB 4.44Å; E69-I104 HydrophobicContact CG-CD1 4.37Å; E69-I104 HydrophobicContact CG-CG2 3.6Å
70E98.9Very high98.1Very high28 Ų2853.4 Ų53.413%0.13129%0.29CS..Hα-helixtrans-67.1-40.8-177.8-172.969-171.400111.7L28 I31 V66 L67 L73 R74L28-E70 HydrophobicContact CB-CG 4.08Å; L28-E70 HydrophobicContact CD2-CB 3.94Å; L28-E70 HydrophobicContact CD2-CG 4.3Å; I31-E70 HydrophobicContact CB-CG 3.91Å; I31-E70 HydrophobicContact CD1-CB 3.88Å; I31-E70 HydrophobicContact CD1-CG 3.71Å; I31-E70 HydrophobicContact CG1-CG 4.26Å; I31-E70 HydrophobicContact CG2-CG 4.12Å; V66-E70 PolarHBondContact O-N 3.39Å; V66-E70 VanDerWaalsContact O-N 3.12Å; L67-E70 PolarHBondContact O-N 2.91Å; E70-L73 PolarHBondContact O-N 3.39Å; E70-R74 HydrophobicContact CG-CG 4.26Å; E70-R74 WeakPolarHBondContact O-CB 3.06Å; E70-R74 VanDerWaalsContact O-CG 3.27Å; E70-R74 WeakPolarHBondContact O-CG 3.49Å; E70-R74 PolarHBondContact O-N 3.47Å; E70-R74 IonicContact OE1-CZ 2.67Å; E70-R74 VanDerWaalsContact OE1-CZ 3.24Å; E70-R74 IonicContact OE1-NE 3.38Å; E70-R74 PolarHBondContact OE1-NE 3.28Å; E70-R74 IonicContact OE1-NH2 3.62Å; E70-R74 PolarHBondContact OE1-NH2 3.35Å
71W98.9Very high98Very high0 Ų051.8 Ų51.80%028%0.276CS..Hα-helixtrans-60.1-48.4174-83.6111.8000112.4T16 I31 Y34 V35 L38 I47 V49 L67 A68 L73 R74 A75T16-W71 HydrophobicContact CG2-CH2 3.57Å; T16-W71 HydrophobicContact CG2-CZ2 3.77Å; T16-W71 HydrophobicContact CG2-CZ3 3.97Å; I31-W71 HydrophobicContact CD1-CG 4.41Å; I31-W71 HydrophobicContact CG1-CZ2 4.44Å; I31-W71 HydrophobicContact CG2-CD2 3.54Å; I31-W71 HydrophobicContact CG2-CE3 3.56Å; I31-W71 HydrophobicContact CG2-CG 4.04Å; I31-W71 HydrophobicContact CG2-CH2 4.24Å; I31-W71 HydrophobicContact CG2-CZ2 4.2Å; I31-W71 HydrophobicContact CG2-CZ3 3.93Å; Y34-W71 AromaticContact CD1-CH2 3.5Å; Y34-W71 HydrophobicContact CD1-CH2 3.5Å; Y34-W71 VanDerWaalsContact CD1-CH2 3.5Å; Y34-W71 AromaticContact CD1-CZ2 3.77Å; Y34-W71 HydrophobicContact CD1-CZ2 3.77Å; Y34-W71 HydrophobicContact CD2-CH2 4.34Å; Y34-W71 AromaticContact CE1-CH2 3.86Å; Y34-W71 HydrophobicContact CE1-CH2 3.86Å; Y34-W71 AromaticContact CE1-CZ2 3.96Å; Y34-W71 HydrophobicContact CE1-CZ2 3.96Å; Y34-W71 AromaticContact CG-CH2 3.74Å; Y34-W71 HydrophobicContact CG-CH2 3.74Å; Y34-W71 HydrophobicContact CG-CZ2 4.46Å; V35-W71 HydrophobicContact CG2-CE3 3.89Å; V35-W71 HydrophobicContact CG2-CZ3 3.62Å; L38-W71 HydrophobicContact CD1-CH2 4.47Å; L38-W71 HydrophobicContact CD1-CZ3 4.46Å; I47-W71 HydrophobicContact CD1-CB 4.33Å; I47-W71 HydrophobicContact CD1-CD2 3.95Å; I47-W71 HydrophobicContact CD1-CE3 3.3Å; I47-W71 HydrophobicContact CD1-CG 4.4Å; I47-W71 HydrophobicContact CD1-CZ3 3.9Å; V49-W71 HydrophobicContact CG1-CB 4.33Å; V49-W71 VanDerWaalsContact CG1-CD1 3.41Å; V49-W71 HydrophobicContact CG1-CG 3.99Å; V49-W71 HydrophobicContact CG2-CB 3.8Å; V49-W71 HydrophobicContact CG2-CD2 4.13Å; V49-W71 HydrophobicContact CG2-CG 3.66Å; L67-W71 PolarHBondContact O-N 2.91Å; A68-W71 PolarHBondContact O-N 3.42Å; W71-L73 VanDerWaalsContact C-N 3.31Å; W71-L73 PolarHBondContact O-N 3.06Å; W71-R74 PolarHBondContact O-N 3.09Å; W71-A75 WeakPolarHBondContact O-CB 3.45Å; W71-A75 PolarHBondContact O-N 3.11Å
72C98.7Very high98Very high14 Ų1450.3 Ų50.310%0.09527%0.267CS..Hα-helixtrans-62.1-41.1178.1-65.80000111.2A68 E69 K76 I104A68-C72 WeakPolarHBondContact O-CB 3.2Å; A68-C72 PolarHBondContact O-N 3.46Å; A68-C72 PolarHBondContact O-SG 3.34Å; E69-C72 PolarHBondContact O-N 3.1Å; C72-K76 WeakPolarHBondContact O-CB 3.32Å; C72-K76 PolarHBondContact O-N 3.34Å; C72-I104 HydrophobicContact CB-CD1 4.23Å; C72-I104 VanDerWaalsContact SG-CD1 3.57Å
73L98.6Very high98Very high109 Ų10947.4 Ų47.457%0.57124%0.242SC*.Hα-helixtrans-62.1-48.2178.1177.763.3000111.9E69 E70 W71E69-L73 VanDerWaalsContact O-CB 3.29Å; E69-L73 WeakPolarHBondContact O-CB 3.31Å; E69-L73 PolarHBondContact O-N 3.21Å; E70-L73 PolarHBondContact O-N 3.39Å; W71-L73 VanDerWaalsContact C-N 3.31Å; W71-L73 PolarHBondContact O-N 3.06Å
74R98.6Very high98Very high110 Ų11046.1 Ų46.142%0.41524%0.237SC..Hα-helixtrans-76.1-31.2-176-63.8-61179-178.8-3.3113.4I31 V35 E70 W71 R78I31-R74 HydrophobicContact CG2-CB 4.19Å; I31-R74 HydrophobicContact CG2-CG 4.1Å; V35-R74 HydrophobicContact CG2-CB 3.95Å; E70-R74 HydrophobicContact CG-CG 4.26Å; E70-R74 WeakPolarHBondContact O-CB 3.06Å; E70-R74 VanDerWaalsContact O-CG 3.27Å; E70-R74 WeakPolarHBondContact O-CG 3.49Å; E70-R74 PolarHBondContact O-N 3.47Å; E70-R74 IonicContact OE1-CZ 2.67Å; E70-R74 VanDerWaalsContact OE1-CZ 3.24Å; E70-R74 IonicContact OE1-NE 3.38Å; E70-R74 PolarHBondContact OE1-NE 3.28Å; E70-R74 IonicContact OE1-NH2 3.62Å; E70-R74 PolarHBondContact OE1-NH2 3.35Å; W71-R74 PolarHBondContact O-N 3.09Å; R74-R78 WeakPolarHBondContact O-CD 3.41Å
75A98Very high98Very high1 Ų146 Ų461%0.00824%0.236CC..Hα-helixtrans-76.4-22.7178.100000113.1I47 W71 G77 R78 M79 V82I47-A75 HydrophobicContact CD1-CB 4.31Å; W71-A75 WeakPolarHBondContact O-CB 3.45Å; W71-A75 PolarHBondContact O-N 3.11Å; A75-G77 PolarHBondContact O-N 3.38Å; A75-R78 PolarHBondContact O-N 3.25Å; A75-M79 HydrophobicContact CB-CB 4.12Å; A75-M79 HydrophobicContact CB-CG 4.28Å; A75-M79 HydrophobicContact CB-SD 3.98Å; A75-M79 PolarHBondContact O-N 2.68Å; A75-V82 HydrophobicContact CB-CG2 3.41Å; A75-V82 VanDerWaalsContact CB-CG2 3.41Å
76K96.4Very high98Very high177 Ų17743.8 Ų43.877%0.7723%0.226SC*.THydrogen-bonded Turntrans-55.9120.2-175.2-173.8174.6-177.4175.30112.4C72 R78C72-K76 WeakPolarHBondContact O-CB 3.32Å; C72-K76 PolarHBondContact O-N 3.34Å; K76-R78 PolarHBondContact O-N 3.49Å
77G94.8Very high98Very high84 Ų8440.8 Ų40.887%0.86621%0.208SC*.THydrogen-bonded Turntrans76.86.8-179.700000114.5A75A75-G77 PolarHBondContact O-N 3.38Å
78R96.3Very high97.9Very high107 Ų10741.2 Ų41.240%0.40421%0.211SC..THydrogen-bonded Turntrans-124.4-30.8-177.9-52.9-175.774177.92.7112.8V35 D36 R74 A75 K76V35-R78 HydrophobicContact CG1-CB 4.24Å; D36-R78 IonicContact OD1-CZ 2.94Å; D36-R78 IonicContact OD1-NH1 2.6Å; D36-R78 PolarHBondContact OD1-NH1 3.09Å; D36-R78 IonicContact OD1-NH2 2.61Å; D36-R78 PolarHBondContact OD1-NH2 3.48Å; R74-R78 WeakPolarHBondContact O-CD 3.41Å; A75-R78 PolarHBondContact O-N 3.25Å; K76-R78 PolarHBondContact O-N 3.49Å
79M96.9Very high97.9Very high19 Ų1944.7 Ų44.79%0.09423%0.228CC..SBendtrans-118.7152175.9-67.1-177.3155.100109.8V35 L38 T39 K45 I47 A75V35-M79 HydrophobicContact CG1-CE 4.14Å; V35-M79 HydrophobicContact CG1-CG 4.42Å; V35-M79 HydrophobicContact CG1-SD 4.31Å; V35-M79 HydrophobicContact CG2-CE 4.48Å; V35-M79 HydrophobicContact CG2-SD 4.46Å; L38-M79 HydrophobicContact CB-CE 3.67Å; L38-M79 HydrophobicContact CD1-CE 3.91Å; L38-M79 HydrophobicContact CG-CE 4.46Å; T39-M79 HydrophobicContact CG2-CE 3.84Å; T39-M79 HydrophobicContact CG2-CG 3.9Å; K45-M79 CarbonylContact O-C 3.6Å; K45-M79 WeakPolarHBondContact O-CB 3.41Å; I47-M79 HydrophobicContact CB-SD 4.36Å; I47-M79 HydrophobicContact CD1-SD 3.88Å; I47-M79 HydrophobicContact CG1-SD 3.91Å; I47-M79 HydrophobicContact CG2-CE 3.64Å; I47-M79 HydrophobicContact CG2-SD 3.6Å; I47-M79 VanDerWaalsContact CG2-SD 3.6Å; A75-M79 HydrophobicContact CB-CB 4.12Å; A75-M79 HydrophobicContact CB-CG 4.28Å; A75-M79 HydrophobicContact CB-SD 3.98Å; A75-M79 PolarHBondContact O-N 2.68Å
80D96Very high97.8Very high80 Ų8042.5 Ų42.543%0.42822%0.223SC..SBendtrans-75.3-34.2-179-71-25.7000111.9K45K45-D80 HydrophobicContact CB-CB 4.24Å; K45-D80 WeakPolarHBondContact CB-OD2 3.36Å; K45-D80 VanDerWaalsContact CD-OD2 3.23Å; K45-D80 WeakPolarHBondContact CD-OD2 3.35Å; K45-D80 PolarHBondContact O-N 3.07Å
81Y96.1Very high97.8Very high23 Ų2343.9 Ų43.99%0.0923%0.231CC..EExtended strand (participates in β ladder)trans-158143.6178.442.9-93.9000114.4V9 T10 V13 G46 I47 I83 D107V9-Y81 HydrophobicContact CB-CE2 4.47Å; V9-Y81 HydrophobicContact CG1-CD2 4.13Å; V9-Y81 HydrophobicContact CG1-CE1 4.41Å; V9-Y81 HydrophobicContact CG1-CE2 3.56Å; V9-Y81 HydrophobicContact CG2-CD1 4.33Å; V9-Y81 HydrophobicContact CG2-CD2 4.12Å; V9-Y81 HydrophobicContact CG2-CE2 4.33Å; V9-Y81 HydrophobicContact CG2-CG 4.14Å; T10-Y81 PolarHBondContact O-OH 2.77Å; V13-Y81 HydrophobicContact CG1-CE2 4.31Å; V13-Y81 HydrophobicContact CG2-CE2 3.71Å; G46-Y81 WeakPolarHBondContact CA-O 3.24Å; I47-Y81 PolarHBondContact N-O 2.69Å; I47-Y81 VanDerWaalsContact N-O 3.1Å; Y81-I83 HydrophobicContact CD2-CD1 4.5Å; Y81-D107 VanDerWaalsContact CA-OD2 3.31Å; Y81-D107 WeakPolarHBondContact CA-OD2 3.41Å
82V98.5Very high97.8Very high5 Ų551.5 Ų51.53%0.0326%0.264CS..EExtended strand (participates in β ladder)trans-115.5109.2171-175.60000109.5I47 V49 A75 V84 D107 G108I47-V82 HydrophobicContact CD1-CG1 4.04Å; I47-V82 HydrophobicContact CD1-CG2 3.97Å; I47-V82 HydrophobicContact CG1-CB 4.24Å; I47-V82 HydrophobicContact CG1-CG1 4.06Å; I47-V82 HydrophobicContact CG1-CG2 3.92Å; V49-V82 HydrophobicContact CG2-CG1 3.89Å; A75-V82 HydrophobicContact CB-CG2 3.41Å; A75-V82 VanDerWaalsContact CB-CG2 3.41Å; V82-V84 HydrophobicContact CG1-CG2 4.25Å; V82-D107 PolarHBondContact N-OD2 2.82Å; V82-D107 PolarHBondContact O-N 3.35Å; V82-G108 PolarHBondContact O-N 2.91Å
83I98.8Very high97.8Very high3 Ų353.9 Ų53.92%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-96.1117.6174.4-56.8172.5000108.5V9 I47 F48 V49 Y81 G108 A110 Y142V9-I83 HydrophobicContact CG1-CD1 4.25Å; V9-I83 HydrophobicContact CG2-CD1 4.11Å; I47-I83 PolarHBondContact O-N 3.1Å; F48-I83 CarbonylContact C-O 3.54Å; F48-I83 WeakPolarHBondContact CA-O 3.48Å; F48-I83 HydrophobicContact CD2-CB 4.09Å; F48-I83 HydrophobicContact CD2-CG2 3.8Å; F48-I83 HydrophobicContact CE2-CG2 4.06Å; V49-I83 PolarHBondContact N-O 3.32Å; Y81-I83 HydrophobicContact CD2-CD1 4.5Å; I83-G108 WeakPolarHBondContact CA-O 3.09Å; I83-A110 HydrophobicContact CG2-CB 3.97Å; I83-Y142 HydrophobicContact CD1-CD2 4.28Å; I83-Y142 HydrophobicContact CD1-CE2 4.06Å; I83-Y142 HydrophobicContact CG1-CE2 4.4Å; I83-Y142 HydrophobicContact CG2-CD2 4.16Å
84V98.9Very high97.8Very high4 Ų448.7 Ų48.72%0.02425%0.249CC..EExtended strand (participates in β ladder)trans-95.2118.5178.3-177.70000109.6A68 V82 V86 A101 A106 G108 I109 A110A68-V84 HydrophobicContact CB-CG1 3.98Å; A68-V84 HydrophobicContact CB-CG2 4.2Å; V82-V84 HydrophobicContact CG1-CG2 4.25Å; V84-V86 HydrophobicContact CB-CG1 4.5Å; V84-V86 HydrophobicContact CG1-CG1 4.02Å; V84-V86 PolarHBondContact O-N 2.57Å; V84-A101 HydrophobicContact CB-CB 4.27Å; V84-A101 HydrophobicContact CG1-CB 4.48Å; V84-A106 HydrophobicContact CB-CB 4.49Å; V84-A106 HydrophobicContact CG2-CB 3.71Å; V84-G108 PolarHBondContact N-O 3.26Å; V84-I109 CarbonylContact O-C 3.53Å; V84-I109 VanDerWaalsContact O-CA 3.26Å; V84-I109 WeakPolarHBondContact O-CA 3.35Å; V84-A110 PolarHBondContact O-N 2.86Å
85H98.9Very high97.9Very high2 Ų245.2 Ų45.21%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-72.5120.2168.4173.6-112.6000110.1F48 V49 N50 R64 G87 A110 I112 Y144F48-H85 HydrophobicContact CE1-CB 3.87Å; F48-H85 HydrophobicContact CE2-CB 4.32Å; F48-H85 HydrophobicContact CZ-CB 3.64Å; V49-H85 WeakPolarHBondContact O-CB 3.17Å; V49-H85 PolarHBondContact O-N 3.1Å; N50-H85 HydrophobicContact CB-CB 4.44Å; N50-H85 WeakPolarHBondContact CB-O 3.41Å; N50-H85 VanDerWaalsContact O-CB 3.28Å; N50-H85 WeakPolarHBondContact O-CB 3.09Å; N50-H85 PolarHBondContact O-ND1 2.86Å; R64-H85 PolarHBondContact NH2-O 3.49Å; H85-G87 PolarHBondContact CE1-O 3.48Å; H85-G87 PolarHBondContact NE2-N 3.44Å; H85-A110 CarbonylContact C-O 3.57Å; H85-A110 VanDerWaalsContact CA-O 3.32Å; H85-A110 WeakPolarHBondContact CA-O 3.27Å; H85-A110 PolarHBondContact CD2-O 3.12Å; H85-A110 VanDerWaalsContact CD2-O 3.24Å; H85-I112 WeakPolarHBondContact NE2-CB 3.42Å; H85-I112 VanDerWaalsContact NE2-CG2 3.29Å; H85-I112 WeakPolarHBondContact NE2-CG2 3.27Å; H85-I112 PolarHBondContact NE2-N 2.66Å; H85-I112 VanDerWaalsContact NE2-N 3.15Å; H85-Y144 AromaticContact CD2-CD1 3.94Å
86V98.9Very high97.9Very high0 Ų047.7 Ų47.70%025%0.25CC..  trans-112.6-3.2-176.1-60.90000112.8R64 V84 S94 L97 A98 A101 I109 A110 V132R64-V86 VanDerWaalsContact NH2-C 3.32Å; V84-V86 HydrophobicContact CB-CG1 4.5Å; V84-V86 HydrophobicContact CG1-CG1 4.02Å; V84-V86 PolarHBondContact O-N 2.57Å; V86-S94 VanDerWaalsContact O-CA 3.29Å; V86-S94 WeakPolarHBondContact O-CA 3.41Å; V86-L97 HydrophobicContact CB-CB 3.79Å; V86-L97 HydrophobicContact CG1-CB 3.92Å; V86-A98 HydrophobicContact CG2-CB 4.21Å; V86-A101 HydrophobicContact CG1-CB 4.23Å; V86-I109 HydrophobicContact CG1-CB 4.27Å; V86-I109 HydrophobicContact CG1-CG2 3.87Å; V86-I109 HydrophobicContact CG2-CB 4.06Å; V86-I109 HydrophobicContact CG2-CD1 4.24Å; V86-I109 HydrophobicContact CG2-CG2 4.47Å; V86-A110 WeakPolarHBondContact CG2-O 2.9Å; V86-A110 PolarHBondContact N-O 3.44Å; V86-V132 HydrophobicContact CG2-CG1 3.83Å
87G98.5Very high98Very high0 Ų039.5 Ų39.50%022%0.215CC..  trans-62138.4179.900000112.9M57 R64 H85M57-G87 VanDerWaalsContact CE-O 3.29Å; M57-G87 WeakPolarHBondContact CE-O 3.48Å; R64-G87 PolarHBondContact NH1-O 3.03Å; R64-G87 PolarHBondContact NH2-O 3.35Å; H85-G87 PolarHBondContact CE1-O 3.48Å; H85-G87 PolarHBondContact NE2-N 3.44Å
88C98.1Very high98.2Very high9 Ų935.5 Ų35.56%0.06117%0.173CC..  trans-140.9170.9175.4-57.80000109.9R64 S90 D93 S94 L97R64-C88 PolarHBondContact NH1-SG 2.87Å; C88-S90 VanDerWaalsContact C-N 3.35Å; C88-S90 WeakPolarHBondContact CB-O 3.49Å; C88-D93 HydrophobicContact CB-CB 4Å; C88-S94 WeakPolarHBondContact CB-OG 3.37Å; C88-S94 PolarHBondContact N-OG 3.07Å; C88-L97 WeakPolarHBondContact SG-CD1 3.38Å
89M97.4Very high98.3Very high75 Ų7536.2 Ų36.237%0.36918%0.176SC..SBendtrans-72.1-31.9168.4-60.8-57.1110.700112.1M57 P114 S115 F116M57-M89 HydrophobicContact CE-CE 4.13Å; M57-M89 HydrophobicContact SD-CE 4.18Å; M89-P114 HydrophobicContact SD-CB 4.36Å; M89-S115 WeakPolarHBondContact CE-OG 3.48Å; M89-S115 PolarHBondContact SD-N 2.94Å; M89-S115 PolarHBondContact SD-OG 3.32Å; M89-S115 VanDerWaalsContact SD-OG 3.33Å; M89-F116 HydrophobicContact SD-CB 4.19Å; M89-F116 PolarHBondContact SD-N 3.09Å
90S98.4Very high98.4Very high42 Ų4236.2 Ų36.229%0.29418%0.176SC..SBendtrans-84.4126.3172.6169.10000110C88 K92 D93 S94C88-S90 VanDerWaalsContact C-N 3.35Å; C88-S90 WeakPolarHBondContact CB-O 3.49Å; S90-K92 VanDerWaalsContact C-N 3.31Å; S90-K92 PolarHBondContact O-N 3.02Å; S90-K92 PolarHBondContact OG-N 3Å; S90-D93 VanDerWaalsContact CB-OD2 3.28Å; S90-D93 WeakPolarHBondContact CB-OD2 3.46Å; S90-D93 PolarHBondContact O-N 2.99Å; S90-D93 VanDerWaalsContact OG-CG 3.23Å; S90-D93 PolarHBondContact OG-N 2.87Å; S90-D93 PolarHBondContact OG-OD1 2.78Å; S90-S94 PolarHBondContact O-N 2.92Å; S90-S94 VanDerWaalsContact O-N 3.16Å; S90-S94 PolarHBondContact O-OG 3.4Å
91L98.7Very high98.6Very high57 Ų5732.4 Ų32.430%0.29816%0.156SC..Hα-helixtrans-62.4-41.2173.4176.759000111.2D93 S94 Q95 F128 E131 V132L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 3.44Å; L91-S94 WeakPolarHBondContact O-CB 3.42Å; L91-S94 PolarHBondContact O-N 3.37Å; L91-Q95 HydrophobicContact CD1-CG 4.18Å; L91-Q95 HydrophobicContact CG-CG 4.42Å; L91-Q95 WeakPolarHBondContact O-CG 3.31Å; L91-Q95 PolarHBondContact O-N 3.43Å; L91-F128 HydrophobicContact CB-CD2 4.46Å; L91-F128 HydrophobicContact CB-CE2 3.98Å; L91-F128 HydrophobicContact CD1-CD2 4Å; L91-F128 HydrophobicContact CD1-CE2 3.83Å; L91-F128 HydrophobicContact CD1-CZ 4.39Å; L91-F128 HydrophobicContact CG-CE2 4.48Å; L91-E131 HydrophobicContact CD1-CB 3.67Å; L91-E131 HydrophobicContact CD2-CB 3.86Å; L91-E131 HydrophobicContact CD2-CG 4.14Å; L91-E131 HydrophobicContact CG-CB 4.31Å; L91-V132 HydrophobicContact CD1-CG2 3.7Å
92K98.8Very high98.7Very high160 Ų16033 Ų3370%0.69617%0.165SC*.Hα-helixtrans-61.7-40.3-179.2-72.6-175.3174.8-178.90112S90 S94 Q95 D96S90-K92 VanDerWaalsContact C-N 3.31Å; S90-K92 PolarHBondContact O-N 3.02Å; S90-K92 PolarHBondContact OG-N 3Å; K92-S94 VanDerWaalsContact C-N 3.35Å; K92-Q95 PolarHBondContact O-N 3.45Å; K92-D96 WeakPolarHBondContact O-CB 3.49Å; K92-D96 PolarHBondContact O-N 3.08Å
93D98.8Very high98.7Very high65 Ų6541.5 Ų41.535%0.34820%0.202SC..Hα-helixtrans-68.6-40.1179.2-59.45000110V61 C88 S90 L91 Q95 D96 L97V61-D93 HydrophobicContact CG2-CB 3.85Å; C88-D93 HydrophobicContact CB-CB 4Å; S90-D93 VanDerWaalsContact CB-OD2 3.28Å; S90-D93 WeakPolarHBondContact CB-OD2 3.46Å; S90-D93 PolarHBondContact O-N 2.99Å; S90-D93 VanDerWaalsContact OG-CG 3.23Å; S90-D93 PolarHBondContact OG-N 2.87Å; S90-D93 PolarHBondContact OG-OD1 2.78Å; L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 3.44Å; D93-Q95 VanDerWaalsContact C-N 3.34Å; D93-Q95 PolarHBondContact O-N 3.36Å; D93-D96 PolarHBondContact O-N 2.58Å; D93-L97 WeakPolarHBondContact O-CB 3.4Å; D93-L97 WeakPolarHBondContact O-CG 3.45Å; D93-L97 PolarHBondContact O-N 3.04Å
94S98.9Very high98.7Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-61.8-42.3175.2-53.50000111.8V86 C88 S90 L91 K92 A98V86-S94 VanDerWaalsContact O-CA 3.29Å; V86-S94 WeakPolarHBondContact O-CA 3.41Å; C88-S94 WeakPolarHBondContact CB-OG 3.37Å; C88-S94 PolarHBondContact N-OG 3.07Å; S90-S94 PolarHBondContact O-N 2.92Å; S90-S94 VanDerWaalsContact O-N 3.16Å; S90-S94 PolarHBondContact O-OG 3.4Å; L91-S94 WeakPolarHBondContact O-CB 3.42Å; L91-S94 PolarHBondContact O-N 3.37Å; K92-S94 VanDerWaalsContact C-N 3.35Å; S94-A98 VanDerWaalsContact O-CB 3.3Å; S94-A98 WeakPolarHBondContact O-CB 3.43Å; S94-A98 PolarHBondContact O-N 2.77Å
95Q98.9Very high98.5Very high36 Ų3645.5 Ų45.517%0.16823%0.234CC..Hα-helixtrans-67.3-36.9175.9-70.8177.8-31.300112.6L91 K92 D93 A98 R99 E131 A135L91-Q95 HydrophobicContact CD1-CG 4.18Å; L91-Q95 HydrophobicContact CG-CG 4.42Å; L91-Q95 WeakPolarHBondContact O-CG 3.31Å; L91-Q95 PolarHBondContact O-N 3.43Å; K92-Q95 PolarHBondContact O-N 3.45Å; D93-Q95 VanDerWaalsContact C-N 3.34Å; D93-Q95 PolarHBondContact O-N 3.36Å; Q95-A98 PolarHBondContact O-N 2.98Å; Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 2.95Å; Q95-E131 WeakPolarHBondContact CG-O 3.24Å; Q95-E131 PolarHBondContact NE2-O 2.83Å; Q95-E131 PolarHBondContact NE2-OE2 2.96Å; Q95-A135 HydrophobicContact CB-CB 3.89Å; Q95-A135 HydrophobicContact CG-CB 4.06Å
96D98.9Very high98.5Very high53 Ų5345.6 Ų45.628%0.28324%0.235SC..Hα-helixtrans-65.9-44.7176-177.735.9000111.8V61 K65 K92 D93 R99 H100V61-D96 WeakPolarHBondContact CG1-OD2 3.21Å; K65-D96 VanDerWaalsContact CE-OD2 3.29Å; K65-D96 WeakPolarHBondContact CE-OD2 3.24Å; K65-D96 IonicContact NZ-OD1 3.18Å; K65-D96 PolarHBondContact NZ-OD1 2.83Å; K65-D96 IonicContact NZ-OD2 2.64Å; K65-D96 PolarHBondContact NZ-OD2 2.87Å; K92-D96 WeakPolarHBondContact O-CB 3.49Å; K92-D96 PolarHBondContact O-N 3.08Å; D93-D96 PolarHBondContact O-N 2.58Å; D96-R99 VanDerWaalsContact CA-NH2 3.31Å; D96-H100 WeakPolarHBondContact O-CB 3.32Å; D96-H100 PolarHBondContact O-N 3.24Å
97L98.9Very high98.5Very high6 Ų649.3 Ų49.33%0.03126%0.255CS..Hα-helixtrans-65.5-38.8173.9-70.4171.7000112.4V61 R64 K65 V86 C88 D93 H100 A101V61-L97 HydrophobicContact CG1-CD2 3.98Å; V61-L97 HydrophobicContact CG1-CG 4.2Å; R64-L97 HydrophobicContact CB-CD2 3.86Å; K65-L97 HydrophobicContact CG-CD2 3.8Å; V86-L97 HydrophobicContact CB-CB 3.79Å; V86-L97 HydrophobicContact CG1-CB 3.92Å; C88-L97 WeakPolarHBondContact SG-CD1 3.38Å; D93-L97 WeakPolarHBondContact O-CB 3.4Å; D93-L97 WeakPolarHBondContact O-CG 3.45Å; D93-L97 PolarHBondContact O-N 3.04Å; L97-H100 PolarHBondContact O-N 3.41Å; L97-A101 WeakPolarHBondContact O-CB 3.15Å; L97-A101 PolarHBondContact O-N 3.28Å
98A98.9Very high98.5Very high0 Ų049.3 Ų49.30%026%0.255CS..Hα-helixtrans-61.8-49.5175.600000112.1V86 S94 Q95 H100 A101 A102 I109 V132 A135 A136V86-A98 HydrophobicContact CG2-CB 4.21Å; S94-A98 VanDerWaalsContact O-CB 3.3Å; S94-A98 WeakPolarHBondContact O-CB 3.43Å; S94-A98 PolarHBondContact O-N 2.77Å; Q95-A98 PolarHBondContact O-N 2.98Å; A98-H100 PolarHBondContact O-N 3.44Å; A98-A101 PolarHBondContact O-N 3.48Å; A98-A102 PolarHBondContact O-N 2.81Å; A98-A102 VanDerWaalsContact O-N 3.1Å; A98-I109 HydrophobicContact CB-CD1 4.01Å; A98-V132 HydrophobicContact CB-CG1 4.44Å; A98-A135 HydrophobicContact CB-CB 3.91Å; A98-A136 HydrophobicContact CB-CB 4.14Å; A98-A136 WeakPolarHBondContact O-CB 3.25Å
99R98.9Very high98.5Very high121 Ų12148.9 Ų48.946%0.45725%0.252SS..Hα-helixtrans-57.6-41.1175-78.5-176.8-64.1-90.3-0.2111.9Q95 D96 A102 K103 A135Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 2.95Å; D96-R99 VanDerWaalsContact CA-NH2 3.31Å; R99-A102 PolarHBondContact O-N 2.73Å; R99-K103 PolarHBondContact O-N 3.07Å; R99-K103 VanDerWaalsContact O-N 3.09Å; R99-A135 HydrophobicContact CG-CB 4.16Å; R99-A135 WeakPolarHBondContact CG-O 3.41Å
100H98.9Very high98.6Very high20 Ų2045.3 Ų45.39%0.09324%0.235CC..Hα-helixtrans-65.4-46.9178.5173.8-90.2000111.9K65 E69 D96 L97 A98 A102 K103 I104K65-H100 VanDerWaalsContact CA-CE1 3.49Å; K65-H100 WeakPolarHBondContact CA-CE1 3.48Å; K65-H100 HydrophobicContact CD-CB 4.37Å; K65-H100 HydrophobicContact CG-CB 4.21Å; K65-H100 PolarHBondContact O-CE1 2.85Å; E69-H100 IonicContact OE1-CD2 3.23Å; E69-H100 IonicContact OE1-CE1 3.96Å; E69-H100 IonicContact OE1-NE2 2.94Å; E69-H100 PolarHBondContact OE1-NE2 3.03Å; D96-H100 WeakPolarHBondContact O-CB 3.32Å; D96-H100 PolarHBondContact O-N 3.24Å; L97-H100 PolarHBondContact O-N 3.41Å; A98-H100 PolarHBondContact O-N 3.44Å; H100-A102 VanDerWaalsContact C-N 3.27Å; H100-A102 PolarHBondContact O-N 3.23Å; H100-K103 WeakPolarHBondContact O-CA 3.48Å; H100-K103 WeakPolarHBondContact O-CB 3.49Å; H100-K103 PolarHBondContact O-N 3.2Å; H100-I104 PolarHBondContact O-N 3.25Å
101A98.9Very high98.6Very high0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-55.6-41.6175.900000112.2V84 V86 L97 A98 I104 G105 A106 I109 L139V84-A101 HydrophobicContact CB-CB 4.27Å; V84-A101 HydrophobicContact CG1-CB 4.48Å; V86-A101 HydrophobicContact CG1-CB 4.23Å; L97-A101 WeakPolarHBondContact O-CB 3.15Å; L97-A101 PolarHBondContact O-N 3.28Å; A98-A101 PolarHBondContact O-N 3.48Å; A101-I104 VanDerWaalsContact O-CG1 3.32Å; A101-I104 WeakPolarHBondContact O-CG1 3.33Å; A101-I104 PolarHBondContact O-N 3.13Å; A101-G105 PolarHBondContact O-N 3.14Å; A101-A106 HydrophobicContact CB-CB 4.18Å; A101-A106 WeakPolarHBondContact O-CB 3.49Å; A101-A106 PolarHBondContact O-N 2.81Å; A101-A106 VanDerWaalsContact O-N 3.08Å; A101-I109 HydrophobicContact CB-CG2 3.5Å; A101-I109 VanDerWaalsContact CB-CG2 3.5Å; A101-L139 HydrophobicContact CB-CD1 4.38Å
102A98.6Very high98.6Very high35 Ų3541.2 Ų41.229%0.28921%0.209SC..Hα-helixtrans-63.4-40.9173.400000112.9A98 R99 H100 I104 G105 A136 L139A98-A102 PolarHBondContact O-N 2.81Å; A98-A102 VanDerWaalsContact O-N 3.1Å; R99-A102 PolarHBondContact O-N 2.73Å; H100-A102 VanDerWaalsContact C-N 3.27Å; H100-A102 PolarHBondContact O-N 3.23Å; A102-I104 VanDerWaalsContact C-N 3.34Å; A102-I104 PolarHBondContact O-N 3.01Å; A102-G105 PolarHBondContact O-N 3.37Å; A102-A136 HydrophobicContact CB-CB 4.01Å; A102-L139 HydrophobicContact CB-CD1 4Å; A102-L139 HydrophobicContact CB-CG 4.2Å
103K98.6Very high98.5Very high184 Ų18433.6 Ų33.680%0.818%0.176SC*.Hα-helixtrans-64.5-37.1179.5-177-175.8175.1-1710112.6R99 H100 G105R99-K103 PolarHBondContact O-N 3.07Å; R99-K103 VanDerWaalsContact O-N 3.09Å; H100-K103 WeakPolarHBondContact O-CA 3.48Å; H100-K103 WeakPolarHBondContact O-CB 3.49Å; H100-K103 PolarHBondContact O-N 3.2Å; K103-G105 VanDerWaalsContact C-N 3.32Å
104I98.3Very high98.4Very high42 Ų4231.1 Ų31.122%0.21516%0.164CC..Hα-helixtrans-87.1-4.3-176.767.5169.3000113A68 E69 C72 H100 A101 A102A68-I104 HydrophobicContact CB-CD1 3.84Å; A68-I104 WeakPolarHBondContact O-CD1 3.12Å; E69-I104 HydrophobicContact CG-CB 4.44Å; E69-I104 HydrophobicContact CG-CD1 4.37Å; E69-I104 HydrophobicContact CG-CG2 3.6Å; C72-I104 HydrophobicContact CB-CD1 4.23Å; C72-I104 VanDerWaalsContact SG-CD1 3.57Å; H100-I104 PolarHBondContact O-N 3.25Å; A101-I104 VanDerWaalsContact O-CG1 3.32Å; A101-I104 WeakPolarHBondContact O-CG1 3.33Å; A101-I104 PolarHBondContact O-N 3.13Å; A102-I104 VanDerWaalsContact C-N 3.34Å; A102-I104 PolarHBondContact O-N 3.01Å
105G96.3Very high98.3Very high49 Ų4932.8 Ų32.851%0.50518%0.175SC..THydrogen-bonded Turntrans77.436.7177.200000114A101 A102 K103A101-G105 PolarHBondContact O-N 3.14Å; A102-G105 PolarHBondContact O-N 3.37Å; K103-G105 VanDerWaalsContact C-N 3.32Å
106A98.2Very high98.2Very high3 Ų338.5 Ų38.53%0.02520%0.2CC..  trans-60.3147.5166.200000110.5V84 A101 G108 L139V84-A106 HydrophobicContact CB-CB 4.49Å; V84-A106 HydrophobicContact CG2-CB 3.71Å; A101-A106 HydrophobicContact CB-CB 4.18Å; A101-A106 WeakPolarHBondContact O-CB 3.49Å; A101-A106 PolarHBondContact O-N 2.81Å; A101-A106 VanDerWaalsContact O-N 3.08Å; A106-G108 VanDerWaalsContact C-N 3.32Å; A106-L139 HydrophobicContact CB-CD1 4.42Å; A106-L139 WeakPolarHBondContact O-CD2 3.32Å
107D97.9Very high98.1Very high79 Ų7944 Ų4442%0.42222%0.222SC..SBendtrans-80.3-17.5-178.5-56.6-74.1000112.6Y81 V82 P140Y81-D107 VanDerWaalsContact CA-OD2 3.31Å; Y81-D107 WeakPolarHBondContact CA-OD2 3.41Å; V82-D107 PolarHBondContact N-OD2 2.82Å; V82-D107 PolarHBondContact O-N 3.35Å; D107-P140 VanDerWaalsContact O-CD 3.31Å; D107-P140 WeakPolarHBondContact O-CD 3.45Å; D107-P140 WeakPolarHBondContact O-CG 3.1Å
108G98.4Very high98Very high0 Ų048.6 Ų48.60%024%0.241CC..EExtended strand (participates in β ladder)trans-167.8167.4173.300000112.4V82 I83 V84 A106 P140V82-G108 PolarHBondContact O-N 2.91Å; I83-G108 WeakPolarHBondContact CA-O 3.09Å; V84-G108 PolarHBondContact N-O 3.26Å; A106-G108 VanDerWaalsContact C-N 3.32Å; G108-P140 CarbonylContact C-O 3.54Å; G108-P140 WeakPolarHBondContact CA-O 3.31Å
109I98.9Very high97.9Very high0 Ų049.5 Ų49.50%025%0.247CC..EExtended strand (participates in β ladder)trans-122.7149.9172.154.5163000111.1V84 V86 A98 A101 A136 L139 P140 F141 Y142V84-I109 CarbonylContact O-C 3.53Å; V84-I109 VanDerWaalsContact O-CA 3.26Å; V84-I109 WeakPolarHBondContact O-CA 3.35Å; V86-I109 HydrophobicContact CG1-CB 4.27Å; V86-I109 HydrophobicContact CG1-CG2 3.87Å; V86-I109 HydrophobicContact CG2-CB 4.06Å; V86-I109 HydrophobicContact CG2-CD1 4.24Å; V86-I109 HydrophobicContact CG2-CG2 4.47Å; A98-I109 HydrophobicContact CB-CD1 4.01Å; A101-I109 HydrophobicContact CB-CG2 3.5Å; A101-I109 VanDerWaalsContact CB-CG2 3.5Å; I109-A136 HydrophobicContact CD1-CB 3.86Å; I109-L139 HydrophobicContact CG1-CB 4.38Å; I109-L139 HydrophobicContact CG2-CD1 3.83Å; I109-P140 PolarHBondContact N-O 2.77Å; I109-F141 HydrophobicContact CD1-CD2 3.81Å; I109-F141 HydrophobicContact CD1-CE2 4.45Å; I109-F141 HydrophobicContact CG1-CD2 3.96Å; I109-F141 CarbonylContact O-C 3.54Å; I109-F141 WeakPolarHBondContact O-CA 3.24Å; I109-Y142 PolarHBondContact O-N 2.63Å
110A98.9Very high97.7Very high0 Ų053.1 Ų53.10%027%0.266CS..EExtended strand (participates in β ladder)trans-128.3150172.200000111.5F48 I83 V84 H85 V86 Y142F48-A110 HydrophobicContact CE2-CB 3.48Å; F48-A110 VanDerWaalsContact CE2-CB 3.48Å; F48-A110 HydrophobicContact CZ-CB 4Å; I83-A110 HydrophobicContact CG2-CB 3.97Å; V84-A110 PolarHBondContact O-N 2.86Å; H85-A110 CarbonylContact C-O 3.57Å; H85-A110 VanDerWaalsContact CA-O 3.32Å; H85-A110 WeakPolarHBondContact CA-O 3.27Å; H85-A110 PolarHBondContact CD2-O 3.12Å; H85-A110 VanDerWaalsContact CD2-O 3.24Å; V86-A110 WeakPolarHBondContact CG2-O 2.9Å; V86-A110 PolarHBondContact N-O 3.44Å; A110-Y142 CarbonylContact C-O 3.5Å; A110-Y142 WeakPolarHBondContact CA-O 3.31Å
111A98.8Very high97.7Very high0 Ų055.9 Ų55.90%029%0.285CS..EExtended strand (participates in β ladder)trans-134127.717500000111.7L129 V132 F141 Y142 Y143 Y144A111-L129 HydrophobicContact CB-CD2 4.13Å; A111-V132 HydrophobicContact CB-CG1 4.15Å; A111-F141 HydrophobicContact CB-CE2 3.85Å; A111-F141 HydrophobicContact CB-CZ 3.81Å; A111-Y142 PolarHBondContact N-O 2.72Å; A111-Y143 WeakPolarHBondContact O-CD2 3.35Å; A111-Y144 PolarHBondContact O-N 2.9Å
112I98.4Very high97.6Very high12 Ų1256.9 Ų56.96%0.06229%0.293CS..EExtended strand (participates in β ladder)trans-73.4154.1166.2-162.7171.1000110.5M57 H85 Y144 I146 T150M57-I112 HydrophobicContact CE-CG2 3.84Å; H85-I112 WeakPolarHBondContact NE2-CB 3.42Å; H85-I112 VanDerWaalsContact NE2-CG2 3.29Å; H85-I112 WeakPolarHBondContact NE2-CG2 3.27Å; H85-I112 PolarHBondContact NE2-N 2.66Å; H85-I112 VanDerWaalsContact NE2-N 3.15Å; I112-Y144 WeakPolarHBondContact CA-O 3.26Å; I112-Y144 HydrophobicContact CB-CD1 3.92Å; I112-Y144 HydrophobicContact CB-CG 4.37Å; I112-Y144 HydrophobicContact CD1-CD1 4.26Å; I112-Y144 HydrophobicContact CD1-CE1 4.2Å; I112-Y144 HydrophobicContact CG1-CD1 4.21Å; I112-I146 HydrophobicContact CD1-CG2 3.31Å; I112-I146 HydrophobicContact CG1-CG2 3.82Å; I112-T150 HydrophobicContact CD1-CG2 3.54Å; I112-T150 HydrophobicContact CG1-CG2 3.48Å; I112-T150 VanDerWaalsContact CG1-CG2 3.48Å
113S97.3Very high97.6Very high0 Ų059.1 Ų59.10%030%0.297CS..PPolyproline II helixtrans-64.4141168.8-178.50000111.3P119 V152S113-P119 VanDerWaalsContact OG-CG 3.3Å; S113-P119 WeakPolarHBondContact OG-CG 3.38Å; S113-V152 WeakPolarHBondContact OG-CG2 3.41Å
114P96.8Very high97.6Very high14 Ų1452.6 Ų52.69%0.09128%0.277CS..PPolyproline II helixtrans-63.6140.9169.327.7-33.3000110M89 P119 F128M89-P114 HydrophobicContact SD-CB 4.36Å; P114-P119 WeakPolarHBondContact O-CD 3.44Å; P114-F128 HydrophobicContact CB-CE2 4.44Å; P114-F128 HydrophobicContact CB-CZ 4.42Å; P114-F128 HydrophobicContact CG-CD1 4.24Å; P114-F128 HydrophobicContact CG-CD2 4.04Å; P114-F128 HydrophobicContact CG-CE1 4.25Å; P114-F128 HydrophobicContact CG-CE2 4.02Å; P114-F128 HydrophobicContact CG-CG 4.14Å; P114-F128 HydrophobicContact CG-CZ 4.13Å
115S96.7Very high97.6Very high34 Ų3450.6 Ų50.624%0.23827%0.267CS..SBendtrans-119.1-16.9-169.963.40000114.5M89 K118 T150M89-S115 WeakPolarHBondContact CE-OG 3.48Å; M89-S115 PolarHBondContact SD-N 2.94Å; M89-S115 PolarHBondContact SD-OG 3.32Å; M89-S115 VanDerWaalsContact SD-OG 3.33Å; S115-K118 VanDerWaalsContact O-CG 3.3Å; S115-K118 WeakPolarHBondContact O-CG 3.35Å; S115-K118 PolarHBondContact O-NZ 3.31Å; S115-T150 VanDerWaalsContact CB-O 3.3Å; S115-T150 WeakPolarHBondContact CB-O 3.44Å
116F96.8Very high97.7Very high156 Ų15650.2 Ų50.268%0.68425%0.251SS*.SBendtrans-69.3-60173.2-171.3-103.4000110.3M89M89-F116 HydrophobicContact SD-CB 4.19Å; M89-F116 PolarHBondContact SD-N 3.09Å
117F95.8Very high97.7Very high169 Ų16956 Ų5674%0.74127%0.272SS*.SBendtrans-100.892.9166.8-61-58.3000109.5
118K97.6Very high97.8Very high103 Ų10353.6 Ų53.645%0.44826%0.258SS..  trans-67.6128-174.7-63.6174.2178.158.50110.6S115 K120 T150 V152S115-K118 VanDerWaalsContact O-CG 3.3Å; S115-K118 WeakPolarHBondContact O-CG 3.35Å; S115-K118 PolarHBondContact O-NZ 3.31Å; K118-K120 PolarHBondContact O-N 2.97Å; K118-T150 WeakPolarHBondContact CE-O 3.21Å; K118-V152 HydrophobicContact CB-CG2 4.03Å; K118-V152 HydrophobicContact CG-CG2 4Å
119P96.9Very high97.8Very high19 Ų1953.6 Ų53.612%0.12326%0.258CS..  trans-62.2133168.126-30.9000109S113 P114 A124 L125 V152S113-P119 VanDerWaalsContact OG-CG 3.3Å; S113-P119 WeakPolarHBondContact OG-CG 3.38Å; P114-P119 WeakPolarHBondContact O-CD 3.44Å; P119-A124 HydrophobicContact CB-CB 4.02Å; P119-L125 HydrophobicContact CB-CB 4Å; P119-L125 HydrophobicContact CG-CB 3.98Å; P119-L125 HydrophobicContact CG-CD1 4.14Å; P119-L125 HydrophobicContact CG-CG 4.49Å; P119-V152 HydrophobicContact CG-CG1 4.04Å; P119-V152 HydrophobicContact CG-CG2 4.42Å
120K95.1Very high97.8Very high196 Ų19655.5 Ų55.585%0.85227%0.266SS*.  trans-94.5-11.3-177.2-63.7-175.4178.6-179.10113.4K118K118-K120 PolarHBondContact O-N 2.97Å
121T97.9Very high97.8Very high78 Ų7859.7 Ų59.748%0.47929%0.286SS..SBendtrans-137.6155.1-175.965.90000110.2E123 A124 L125T121-E123 VanDerWaalsContact C-N 3.27Å; T121-E123 PolarHBondContact O-N 3.38Å; T121-A124 PolarHBondContact O-N 3.46Å; T121-A124 WeakPolarHBondContact OG1-CB 3.29Å; T121-A124 PolarHBondContact OG1-N 3.29Å; T121-A124 VanDerWaalsContact OG1-N 3.17Å; T121-L125 PolarHBondContact O-N 3.05Å
122A97.9Very high97.8Very high21 Ų2159.7 Ų59.717%0.17429%0.286CS..Hα-helixtrans-56.7-42172.500000111.6A124 L125 R126 V154 D158 V159A122-A124 PolarHBondContact O-N 3.48Å; A122-L125 PolarHBondContact O-N 3.08Å; A122-R126 WeakPolarHBondContact O-CB 3.44Å; A122-R126 WeakPolarHBondContact O-CG 3.49Å; A122-R126 PolarHBondContact O-N 2.96Å; A122-V154 HydrophobicContact CB-CG1 3.9Å; A122-D158 HydrophobicContact CB-CB 3.84Å; A122-V159 HydrophobicContact CB-CG2 4.33Å
123E98.3Very high97.8Very high83 Ų8359.2 Ų59.239%0.38828%0.284SS..Hα-helixtrans-60.2-44.9178.2179.660.9-171.600112.6T121 L125 R126 R127T121-E123 VanDerWaalsContact C-N 3.27Å; T121-E123 PolarHBondContact O-N 3.38Å; E123-L125 VanDerWaalsContact C-N 3.32Å; E123-L125 PolarHBondContact O-N 2.91Å; E123-R126 PolarHBondContact O-N 3.41Å; E123-R127 VanDerWaalsContact O-CG 3.27Å; E123-R127 WeakPolarHBondContact O-CG 3.27Å; E123-R127 PolarHBondContact O-N 3.03Å; E123-R127 IonicContact OE1-CZ 3.65Å; E123-R127 IonicContact OE1-NE 3.64Å; E123-R127 PolarHBondContact OE1-NE 3.25Å; E123-R127 IonicContact OE1-NH2 2.67Å; E123-R127 PolarHBondContact OE1-NH2 2.86Å
124A98.1Very high97.9Very high46 Ų4662.5 Ų62.538%0.3831%0.307SS..Hα-helixtrans-62.5-41.5178.500000111.8P119 T121 A122 F128P119-A124 HydrophobicContact CB-CB 4.02Å; T121-A124 PolarHBondContact O-N 3.46Å; T121-A124 WeakPolarHBondContact OG1-CB 3.29Å; T121-A124 PolarHBondContact OG1-N 3.29Å; T121-A124 VanDerWaalsContact OG1-N 3.17Å; A122-A124 PolarHBondContact O-N 3.48Å; A124-F128 PolarHBondContact O-N 3.2Å
125L98.5Very high97.9Very high0 Ų062.7 Ų62.70%031%0.31CS..Hα-helixtrans-66-46.5176176.253000111.3P119 T121 A122 E123 R127 F128 L129 Y143 V159P119-L125 HydrophobicContact CB-CB 4Å; P119-L125 HydrophobicContact CG-CB 3.98Å; P119-L125 HydrophobicContact CG-CD1 4.14Å; P119-L125 HydrophobicContact CG-CG 4.49Å; T121-L125 PolarHBondContact O-N 3.05Å; A122-L125 PolarHBondContact O-N 3.08Å; E123-L125 VanDerWaalsContact C-N 3.32Å; E123-L125 PolarHBondContact O-N 2.91Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.41Å; L125-F128 WeakPolarHBondContact O-CB 3.45Å; L125-F128 PolarHBondContact O-N 3.18Å; L125-F128 VanDerWaalsContact O-N 3.13Å; L125-L129 HydrophobicContact CD1-CD1 4.05Å; L125-L129 HydrophobicContact CD1-CD2 4.29Å; L125-L129 HydrophobicContact CD1-CG 3.96Å; L125-L129 HydrophobicContact CG-CD1 4.04Å; L125-L129 HydrophobicContact CG-CG 4.4Å; L125-L129 WeakPolarHBondContact O-CG 3.4Å; L125-L129 PolarHBondContact O-N 3.03Å; L125-Y143 HydrophobicContact CD1-CE2 4.27Å; L125-Y143 HydrophobicContact CD2-CE2 4.27Å; L125-Y143 WeakPolarHBondContact CD2-OH 3.29Å; L125-V159 HydrophobicContact CD2-CG1 4.13Å; L125-V159 HydrophobicContact CD2-CG2 3.61Å; L125-V159 HydrophobicContact CG-CG1 4.19Å; L125-V159 HydrophobicContact CG-CG2 4.36Å
126R98.6Very high98Very high41 Ų4161.1 Ų61.116%0.15530%0.299CS..Hα-helixtrans-55.7-42.8176.8-76.7177.155.1164.13.1112.4A122 E123 L129 Q130 V159 E161 I163 L166A122-R126 WeakPolarHBondContact O-CB 3.44Å; A122-R126 WeakPolarHBondContact O-CG 3.49Å; A122-R126 PolarHBondContact O-N 2.96Å; E123-R126 PolarHBondContact O-N 3.41Å; R126-L129 PolarHBondContact O-N 2.84Å; R126-Q130 WeakPolarHBondContact O-CB 3.46Å; R126-Q130 PolarHBondContact O-N 3.49Å; R126-V159 WeakPolarHBondContact CD-O 3.45Å; R126-V159 HydrophobicContact CG-CG1 4.11Å; R126-V159 VanDerWaalsContact CG-O 3.31Å; R126-V159 WeakPolarHBondContact CG-O 3.46Å; R126-E161 PolarHBondContact NH1-O 3.12Å; R126-I163 HydrophobicContact CB-CD1 4.28Å; R126-I163 HydrophobicContact CG-CD1 3.77Å; R126-L166 HydrophobicContact CB-CD2 3.74Å
127R98.4Very high98Very high125 Ų12558 Ų5847%0.47230%0.295SS..Hα-helixtrans-63.6-42.8176.4-68.2-67.8176.4-177.1-0.9112.4E123 L125 Q130 E131E123-R127 VanDerWaalsContact O-CG 3.27Å; E123-R127 WeakPolarHBondContact O-CG 3.27Å; E123-R127 PolarHBondContact O-N 3.03Å; E123-R127 IonicContact OE1-CZ 3.65Å; E123-R127 IonicContact OE1-NE 3.64Å; E123-R127 PolarHBondContact OE1-NE 3.25Å; E123-R127 IonicContact OE1-NH2 2.67Å; E123-R127 PolarHBondContact OE1-NH2 2.86Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.41Å; R127-Q130 WeakPolarHBondContact O-CB 3.4Å; R127-Q130 PolarHBondContact O-N 3.36Å; R127-E131 WeakPolarHBondContact O-CG 3.24Å; R127-E131 PolarHBondContact O-N 2.9Å; R127-E131 VanDerWaalsContact O-N 3.09Å
128F98.8Very high98Very high29 Ų2955.8 Ų55.813%0.12730%0.295CS..Hα-helixtrans-61.1-48.7174.3178.2-89.3000111.3L91 P114 A124 L125 Q130 E131 V132L91-F128 HydrophobicContact CB-CD2 4.46Å; L91-F128 HydrophobicContact CB-CE2 3.98Å; L91-F128 HydrophobicContact CD1-CD2 4Å; L91-F128 HydrophobicContact CD1-CE2 3.83Å; L91-F128 HydrophobicContact CD1-CZ 4.39Å; L91-F128 HydrophobicContact CG-CE2 4.48Å; P114-F128 HydrophobicContact CB-CE2 4.44Å; P114-F128 HydrophobicContact CB-CZ 4.42Å; P114-F128 HydrophobicContact CG-CD1 4.24Å; P114-F128 HydrophobicContact CG-CD2 4.04Å; P114-F128 HydrophobicContact CG-CE1 4.25Å; P114-F128 HydrophobicContact CG-CE2 4.02Å; P114-F128 HydrophobicContact CG-CG 4.14Å; P114-F128 HydrophobicContact CG-CZ 4.13Å; A124-F128 PolarHBondContact O-N 3.2Å; L125-F128 WeakPolarHBondContact O-CB 3.45Å; L125-F128 PolarHBondContact O-N 3.18Å; L125-F128 VanDerWaalsContact O-N 3.13Å; F128-Q130 VanDerWaalsContact C-N 3.28Å; F128-Q130 PolarHBondContact O-N 2.94Å; F128-E131 PolarHBondContact O-N 3.09Å; F128-V132 HydrophobicContact CD1-CG2 4.28Å; F128-V132 HydrophobicContact CE1-CG2 3.83Å; F128-V132 HydrophobicContact CZ-CG2 4.07Å; F128-V132 WeakPolarHBondContact O-CG2 3.31Å; F128-V132 PolarHBondContact O-N 3.18Å; F128-V132 VanDerWaalsContact O-N 3.16Å
129L98.8Very high98Very high0 Ų051.8 Ų51.80%028%0.278CS..Hα-helixtrans-61-38.6178.8-62.7174.2000111.6A111 L125 R126 V132 A133 F141 Y143 V159 I167A111-L129 HydrophobicContact CB-CD2 4.13Å; L125-L129 HydrophobicContact CD1-CD1 4.05Å; L125-L129 HydrophobicContact CD1-CD2 4.29Å; L125-L129 HydrophobicContact CD1-CG 3.96Å; L125-L129 HydrophobicContact CG-CD1 4.04Å; L125-L129 HydrophobicContact CG-CG 4.4Å; L125-L129 WeakPolarHBondContact O-CG 3.4Å; L125-L129 PolarHBondContact O-N 3.03Å; R126-L129 PolarHBondContact O-N 2.84Å; L129-V132 PolarHBondContact O-N 3.26Å; L129-A133 WeakPolarHBondContact O-CB 3.41Å; L129-A133 PolarHBondContact O-N 3.12Å; L129-F141 HydrophobicContact CB-CE1 4.01Å; L129-F141 HydrophobicContact CB-CZ 3.91Å; L129-F141 HydrophobicContact CD2-CE1 4.22Å; L129-F141 HydrophobicContact CD2-CZ 3.79Å; L129-F141 HydrophobicContact CG-CZ 4.37Å; L129-Y143 HydrophobicContact CD1-CD2 3.63Å; L129-Y143 HydrophobicContact CD1-CE2 4.12Å; L129-Y143 HydrophobicContact CD1-CG 4.05Å; L129-Y143 HydrophobicContact CD2-CD2 3.77Å; L129-Y143 HydrophobicContact CD2-CE2 4.22Å; L129-Y143 HydrophobicContact CG-CD2 4.37Å; L129-V159 HydrophobicContact CD1-CG1 3.91Å; L129-I167 HydrophobicContact CB-CD1 3.76Å
130Q98.8Very high98.1Very high39 Ų3952.2 Ų52.218%0.18228%0.281CS..Hα-helixtrans-59.3-48.3175.5179.1-174.930.800111.9R126 R127 F128 V132 A133 S134 L166 I167R126-Q130 WeakPolarHBondContact O-CB 3.46Å; R126-Q130 PolarHBondContact O-N 3.49Å; R127-Q130 WeakPolarHBondContact O-CB 3.4Å; R127-Q130 PolarHBondContact O-N 3.36Å; F128-Q130 VanDerWaalsContact C-N 3.28Å; F128-Q130 PolarHBondContact O-N 2.94Å; Q130-V132 VanDerWaalsContact C-N 3.28Å; Q130-V132 PolarHBondContact O-N 3.35Å; Q130-A133 PolarHBondContact O-N 3.28Å; Q130-S134 VanDerWaalsContact O-CB 3.29Å; Q130-S134 WeakPolarHBondContact O-CB 3.34Å; Q130-S134 PolarHBondContact O-N 3.43Å; Q130-S134 PolarHBondContact O-OG 2.99Å; Q130-L166 HydrophobicContact CB-CD2 4.06Å; Q130-L166 HydrophobicContact CB-CG 4.01Å; Q130-L166 HydrophobicContact CG-CD1 4.38Å; Q130-L166 HydrophobicContact CG-CG 3.99Å; Q130-L166 PolarHBondContact NE2-O 2.86Å; Q130-L166 VanDerWaalsContact OE1-CD1 3.31Å; Q130-I167 HydrophobicContact CB-CD1 4.27Å; Q130-I167 HydrophobicContact CB-CG1 4.04Å; Q130-I167 HydrophobicContact CG-CG1 4.49Å
131E98.9Very high98.2Very high88 Ų8842.9 Ų42.941%0.41124%0.24SC..Hα-helixtrans-64.2-33.7-179.5-73-65.6145.600112.3L91 Q95 R127 F128L91-E131 HydrophobicContact CD1-CB 3.67Å; L91-E131 HydrophobicContact CD2-CB 3.86Å; L91-E131 HydrophobicContact CD2-CG 4.14Å; L91-E131 HydrophobicContact CG-CB 4.31Å; Q95-E131 WeakPolarHBondContact CG-O 3.24Å; Q95-E131 PolarHBondContact NE2-O 2.83Å; Q95-E131 PolarHBondContact NE2-OE2 2.96Å; R127-E131 WeakPolarHBondContact O-CG 3.24Å; R127-E131 PolarHBondContact O-N 2.9Å; R127-E131 VanDerWaalsContact O-N 3.09Å; F128-E131 PolarHBondContact O-N 3.09Å
132V98.9Very high98.3Very high0 Ų039.6 Ų39.60%022%0.219CC..Hα-helixtrans-70.8-50.6173.8179.30000110.9V86 L91 A98 A111 F128 L129 Q130 S134 A135 F141V86-V132 HydrophobicContact CG2-CG1 3.83Å; L91-V132 HydrophobicContact CD1-CG2 3.7Å; A98-V132 HydrophobicContact CB-CG1 4.44Å; A111-V132 HydrophobicContact CB-CG1 4.15Å; F128-V132 HydrophobicContact CD1-CG2 4.28Å; F128-V132 HydrophobicContact CE1-CG2 3.83Å; F128-V132 HydrophobicContact CZ-CG2 4.07Å; F128-V132 WeakPolarHBondContact O-CG2 3.31Å; F128-V132 PolarHBondContact O-N 3.18Å; F128-V132 VanDerWaalsContact O-N 3.16Å; L129-V132 PolarHBondContact O-N 3.26Å; Q130-V132 VanDerWaalsContact C-N 3.28Å; Q130-V132 PolarHBondContact O-N 3.35Å; V132-S134 VanDerWaalsContact C-N 3.29Å; V132-S134 PolarHBondContact O-N 2.85Å; V132-A135 WeakPolarHBondContact O-CB 3.48Å; V132-A135 PolarHBondContact O-N 2.97Å; V132-F141 HydrophobicContact CB-CE2 4.37Å; V132-F141 HydrophobicContact CG1-CE2 4.12Å
133A98.8Very high98.3Very high2 Ų238.6 Ų38.62%0.01721%0.211CC..Hα-helixtrans-62.3-36.5-17800000112.5L129 Q130 A135 A136 F141 I167L129-A133 WeakPolarHBondContact O-CB 3.41Å; L129-A133 PolarHBondContact O-N 3.12Å; Q130-A133 PolarHBondContact O-N 3.28Å; A133-A135 PolarHBondContact O-N 3.19Å; A133-A135 VanDerWaalsContact O-N 3.16Å; A133-A136 CarbonylContact O-C 3.52Å; A133-A136 PolarHBondContact O-N 2.91Å; A133-F141 HydrophobicContact CB-CB 4.19Å; A133-F141 HydrophobicContact CB-CD1 4.32Å; A133-F141 HydrophobicContact CB-CD2 3.56Å; A133-F141 HydrophobicContact CB-CE2 3.94Å; A133-F141 HydrophobicContact CB-CG 3.76Å; A133-F141 HydrophobicContact CB-CZ 4.44Å; A133-I167 HydrophobicContact CB-CG2 3.46Å; A133-I167 VanDerWaalsContact CB-CG2 3.46Å
134S98.6Very high98.4Very high69 Ų6934.9 Ų34.948%0.48319%0.194SC..THydrogen-bonded Turntrans-64.7-18.2179.3-590000113.5Q130 V132 A136Q130-S134 VanDerWaalsContact O-CB 3.29Å; Q130-S134 WeakPolarHBondContact O-CB 3.34Å; Q130-S134 PolarHBondContact O-N 3.43Å; Q130-S134 PolarHBondContact O-OG 2.99Å; V132-S134 VanDerWaalsContact C-N 3.29Å; V132-S134 PolarHBondContact O-N 2.85Å; S134-A136 VanDerWaalsContact C-N 3.29Å
135A98.8Very high98.3Very high19 Ų1933 Ų3316%0.15718%0.177CC..THydrogen-bonded Turntrans-77.6-14.3174.500000113.1Q95 A98 R99 V132 A133Q95-A135 HydrophobicContact CB-CB 3.89Å; Q95-A135 HydrophobicContact CG-CB 4.06Å; A98-A135 HydrophobicContact CB-CB 3.91Å; R99-A135 HydrophobicContact CG-CB 4.16Å; R99-A135 WeakPolarHBondContact CG-O 3.41Å; V132-A135 WeakPolarHBondContact O-CB 3.48Å; V132-A135 PolarHBondContact O-N 2.97Å; A133-A135 PolarHBondContact O-N 3.19Å; A133-A135 VanDerWaalsContact O-N 3.16Å
136A98.4Very high98.3Very high1 Ų133.6 Ų33.61%0.00818%0.18CC..SBendtrans-140.763.6175.100000110.6A98 A102 I109 A133 S134 T138 L139A98-A136 HydrophobicContact CB-CB 4.14Å; A98-A136 WeakPolarHBondContact O-CB 3.25Å; A102-A136 HydrophobicContact CB-CB 4.01Å; I109-A136 HydrophobicContact CD1-CB 3.86Å; A133-A136 CarbonylContact O-C 3.52Å; A133-A136 PolarHBondContact O-N 2.91Å; S134-A136 VanDerWaalsContact C-N 3.29Å; A136-T138 PolarHBondContact O-N 2.85Å; A136-L139 HydrophobicContact CB-CB 4.39Å; A136-L139 HydrophobicContact CB-CD1 4.4Å; A136-L139 HydrophobicContact CB-CG 4.43Å; A136-L139 PolarHBondContact O-N 3.31Å
137P97Very high98.2Very high91 Ų9133.5 Ų33.559%0.59118%0.184SC*.THydrogen-bonded Turntrans-67.3-16.3-166.128.6-36.4000114.1
138T94.8Very high98Very high121 Ų12132.2 Ų32.274%0.74220%0.195SC*.THydrogen-bonded Turntrans-91.9-8.3179.258.10000113.5A136A136-T138 PolarHBondContact O-N 2.85Å
139L97.7Very high97.8Very high19 Ų1937 Ų3710%0.09922%0.216CC..SBendtrans-97.5136.9179.5-69.3-167.8000111.3A101 A102 A106 I109 A136 F141 S169A101-L139 HydrophobicContact CB-CD1 4.38Å; A102-L139 HydrophobicContact CB-CD1 4Å; A102-L139 HydrophobicContact CB-CG 4.2Å; A106-L139 HydrophobicContact CB-CD1 4.42Å; A106-L139 WeakPolarHBondContact O-CD2 3.32Å; I109-L139 HydrophobicContact CG1-CB 4.38Å; I109-L139 HydrophobicContact CG2-CD1 3.83Å; A136-L139 HydrophobicContact CB-CB 4.39Å; A136-L139 HydrophobicContact CB-CD1 4.4Å; A136-L139 HydrophobicContact CB-CG 4.43Å; A136-L139 PolarHBondContact O-N 3.31Å; L139-F141 PolarHBondContact O-N 3.2Å; L139-S169 VanDerWaalsContact O-CB 3.3Å; L139-S169 WeakPolarHBondContact O-CB 3.36Å
140P98.3Very high97.8Very high28 Ų2837.2 Ų37.218%0.18222%0.217CC..  trans-44127.6162.4-33.939.7000112.5D107 G108 I109 Y142 R171D107-P140 VanDerWaalsContact O-CD 3.31Å; D107-P140 WeakPolarHBondContact O-CD 3.45Å; D107-P140 WeakPolarHBondContact O-CG 3.1Å; G108-P140 CarbonylContact C-O 3.54Å; G108-P140 WeakPolarHBondContact CA-O 3.31Å; I109-P140 PolarHBondContact N-O 2.77Å; P140-Y142 HydrophobicContact CB-CE2 3.81Å; P140-R171 HydrophobicContact CB-CB 4.04Å; P140-R171 HydrophobicContact CB-CG 3.73Å; P140-R171 HydrophobicContact CG-CG 4.29Å
141F98.8Very high97.7Very high0 Ų037 Ų370%023%0.225CC..EExtended strand (participates in β ladder)trans-111.1128179.3-179.1-90.7000111.3I109 A111 L129 V132 A133 L139 I167 S169 F170 R171I109-F141 HydrophobicContact CD1-CD2 3.81Å; I109-F141 HydrophobicContact CD1-CE2 4.45Å; I109-F141 HydrophobicContact CG1-CD2 3.96Å; I109-F141 CarbonylContact O-C 3.54Å; I109-F141 WeakPolarHBondContact O-CA 3.24Å; A111-F141 HydrophobicContact CB-CE2 3.85Å; A111-F141 HydrophobicContact CB-CZ 3.81Å; L129-F141 HydrophobicContact CB-CE1 4.01Å; L129-F141 HydrophobicContact CB-CZ 3.91Å; L129-F141 HydrophobicContact CD2-CE1 4.22Å; L129-F141 HydrophobicContact CD2-CZ 3.79Å; L129-F141 HydrophobicContact CG-CZ 4.37Å; V132-F141 HydrophobicContact CB-CE2 4.37Å; V132-F141 HydrophobicContact CG1-CE2 4.12Å; A133-F141 HydrophobicContact CB-CB 4.19Å; A133-F141 HydrophobicContact CB-CD1 4.32Å; A133-F141 HydrophobicContact CB-CD2 3.56Å; A133-F141 HydrophobicContact CB-CE2 3.94Å; A133-F141 HydrophobicContact CB-CG 3.76Å; A133-F141 HydrophobicContact CB-CZ 4.44Å; L139-F141 PolarHBondContact O-N 3.2Å; F141-I167 HydrophobicContact CB-CG2 4.45Å; F141-I167 HydrophobicContact CD1-CG2 4.23Å; F141-I167 HydrophobicContact CE1-CD1 4.39Å; F141-I167 HydrophobicContact CG-CG2 4.44Å; F141-S169 PolarHBondContact N-O 3.17Å; F141-F170 AromaticContact CD1-CD2 3.91Å; F141-F170 HydrophobicContact CD1-CD2 3.91Å; F141-F170 HydrophobicContact CD1-CE2 4.46Å; F141-F170 HydrophobicContact CE1-CD2 4.41Å; F141-F170 WeakPolarHBondContact O-CA 3.37Å; F141-R171 PolarHBondContact O-N 3.39Å
142Y98.9Very high97.5Very high9 Ų932.9 Ų32.94%0.03521%0.206CC..EExtended strand (participates in β ladder)trans-115.7132.6177.3-59.6-89000111.3V9 I83 I109 A110 A111 P140 R171 G172V9-Y142 WeakPolarHBondContact CG2-OH 3.21Å; I83-Y142 HydrophobicContact CD1-CD2 4.28Å; I83-Y142 HydrophobicContact CD1-CE2 4.06Å; I83-Y142 HydrophobicContact CG1-CE2 4.4Å; I83-Y142 HydrophobicContact CG2-CD2 4.16Å; I109-Y142 PolarHBondContact O-N 2.63Å; A110-Y142 CarbonylContact C-O 3.5Å; A110-Y142 WeakPolarHBondContact CA-O 3.31Å; A111-Y142 PolarHBondContact N-O 2.72Å; P140-Y142 HydrophobicContact CB-CE2 3.81Å; Y142-R171 HydrophobicContact CE1-CB 3.86Å; Y142-R171 VanDerWaalsContact CE1-O 3.27Å; Y142-R171 WeakPolarHBondContact CE1-O 3.36Å; Y142-R171 HydrophobicContact CE2-CB 4.41Å; Y142-G172 WeakPolarHBondContact CA-O 3.17Å
143Y98.8Very high97.1Very high1 Ų139.6 Ų39.60%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-77.9127.5168.3176.1-132.1000110.3A111 L125 L129 Q145 V156 G172 V173 K174A111-Y143 WeakPolarHBondContact O-CD2 3.35Å; L125-Y143 HydrophobicContact CD1-CE2 4.27Å; L125-Y143 HydrophobicContact CD2-CE2 4.27Å; L125-Y143 WeakPolarHBondContact CD2-OH 3.29Å; L129-Y143 HydrophobicContact CD1-CD2 3.63Å; L129-Y143 HydrophobicContact CD1-CE2 4.12Å; L129-Y143 HydrophobicContact CD1-CG 4.05Å; L129-Y143 HydrophobicContact CD2-CD2 3.77Å; L129-Y143 HydrophobicContact CD2-CE2 4.22Å; L129-Y143 HydrophobicContact CG-CD2 4.37Å; Y143-Q145 HydrophobicContact CD1-CB 4.19Å; Y143-Q145 HydrophobicContact CE1-CB 3.65Å; Y143-Q145 HydrophobicContact CE1-CG 4.4Å; Y143-Q145 VanDerWaalsContact CZ-OE1 3.32Å; Y143-Q145 PolarHBondContact OH-OE1 3.33Å; Y143-V156 HydrophobicContact CD1-CG1 4.26Å; Y143-V156 HydrophobicContact CE1-CG1 4.43Å; Y143-V156 HydrophobicContact CE1-CG2 4.21Å; Y143-G172 PolarHBondContact N-O 2.79Å; Y143-V173 HydrophobicContact CD1-CG1 4.23Å; Y143-V173 CarbonylContact O-C 3.45Å; Y143-V173 VanDerWaalsContact O-CA 3.31Å; Y143-V173 WeakPolarHBondContact O-CA 3.35Å; Y143-K174 PolarHBondContact O-N 3.01Å
144Y98.8Very high96.9Very high5 Ų540 Ų402%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-98.898.4173.3179.7-163.4000110.3F48 T52 H85 A111 I112 I146 K174F48-Y144 HydrophobicContact CE1-CD1 4.33Å; F48-Y144 HydrophobicContact CE1-CE1 4.23Å; F48-Y144 AromaticContact CZ-CD1 3.91Å; F48-Y144 HydrophobicContact CZ-CD1 3.91Å; F48-Y144 HydrophobicContact CZ-CE1 4.27Å; F48-Y144 HydrophobicContact CZ-CG 4.3Å; T52-Y144 PolarHBondContact OG1-OH 3.04Å; H85-Y144 AromaticContact CD2-CD1 3.94Å; A111-Y144 PolarHBondContact O-N 2.9Å; I112-Y144 WeakPolarHBondContact CA-O 3.26Å; I112-Y144 HydrophobicContact CB-CD1 3.92Å; I112-Y144 HydrophobicContact CB-CG 4.37Å; I112-Y144 HydrophobicContact CD1-CD1 4.26Å; I112-Y144 HydrophobicContact CD1-CE1 4.2Å; I112-Y144 HydrophobicContact CG1-CD1 4.21Å; Y144-I146 HydrophobicContact CD2-CB 4.33Å; Y144-I146 HydrophobicContact CD2-CG2 4.2Å; Y144-I146 HydrophobicContact CE1-CG2 4.25Å; Y144-I146 HydrophobicContact CE2-CB 3.73Å; Y144-I146 HydrophobicContact CE2-CD1 4.19Å; Y144-I146 HydrophobicContact CE2-CG2 3.74Å; Y144-I146 WeakPolarHBondContact OH-CD1 3.33Å; Y144-K174 HydrophobicContact CD2-CB 4.11Å; Y144-K174 HydrophobicContact CD2-CD 3.49Å; Y144-K174 VanDerWaalsContact CD2-CD 3.49Å; Y144-K174 HydrophobicContact CD2-CG 3.76Å; Y144-K174 HydrophobicContact CE2-CD 3.53Å; Y144-K174 HydrophobicContact CE2-CG 4.04Å; Y144-K174 HydrophobicContact CG-CD 4.08Å; Y144-K174 PolarHBondContact OH-NZ 3.19Å
145Q97.8Very high96.8Very high7 Ų739.5 Ų39.53%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-85.9122.4173.9174.971.3-20.700110.5Y143 V156 V173 K174 F175 S176Y143-Q145 HydrophobicContact CD1-CB 4.19Å; Y143-Q145 HydrophobicContact CE1-CB 3.65Å; Y143-Q145 HydrophobicContact CE1-CG 4.4Å; Y143-Q145 VanDerWaalsContact CZ-OE1 3.32Å; Y143-Q145 PolarHBondContact OH-OE1 3.33Å; Q145-V156 HydrophobicContact CB-CG2 3.84Å; Q145-V156 VanDerWaalsContact CD-CG2 3.46Å; Q145-V156 HydrophobicContact CG-CG2 3.4Å; Q145-V173 HydrophobicContact CB-CG1 4.37Å; Q145-K174 PolarHBondContact N-O 2.95Å; Q145-F175 HydrophobicContact CG-CD2 4.31Å; Q145-F175 HydrophobicContact CG-CE2 4.42Å; Q145-S176 WeakPolarHBondContact O-CA 3.34Å; Q145-S176 WeakPolarHBondContact O-CB 3.35Å; Q145-S176 PolarHBondContact O-N 2.95Å
146I97.7Very high96.7Very high11 Ų1138.6 Ų38.66%0.05623%0.232CC..  trans-152.780.1172.9-172.5167.8000111I112 Y144 S148 F149 T150I112-I146 HydrophobicContact CD1-CG2 3.31Å; I112-I146 HydrophobicContact CG1-CG2 3.82Å; Y144-I146 HydrophobicContact CD2-CB 4.33Å; Y144-I146 HydrophobicContact CD2-CG2 4.2Å; Y144-I146 HydrophobicContact CE1-CG2 4.25Å; Y144-I146 HydrophobicContact CE2-CB 3.73Å; Y144-I146 HydrophobicContact CE2-CD1 4.19Å; Y144-I146 HydrophobicContact CE2-CG2 3.74Å; Y144-I146 WeakPolarHBondContact OH-CD1 3.33Å; I146-S148 PolarHBondContact O-N 3.33Å; I146-F149 HydrophobicContact CD1-CB 4.37Å; I146-F149 HydrophobicContact CD1-CD2 3.41Å; I146-F149 VanDerWaalsContact CD1-CD2 3.41Å; I146-F149 HydrophobicContact CD1-CE2 4.01Å; I146-F149 HydrophobicContact CD1-CG 4.14Å; I146-F149 HydrophobicContact CG1-CB 4.24Å; I146-F149 HydrophobicContact CG1-CD2 3.82Å; I146-F149 HydrophobicContact CG1-CG 4.44Å; I146-F149 HydrophobicContact CG2-CB 4.28Å; I146-F149 PolarHBondContact O-N 3.03Å; I146-T150 HydrophobicContact CG2-CG2 4.1Å; I146-T150 WeakPolarHBondContact O-CG2 3.35Å; I146-T150 PolarHBondContact O-N 2.95Å; I146-T150 PolarHBondContact O-OG1 2.94Å
147P95.8Very high96.5Very high39 Ų3940 Ų4025%0.25324%0.238SC..Hα-helixtrans-62.7-29.2-174.323.7-34000113.2F149 T150 G151P147-F149 PolarHBondContact O-N 3.34Å; P147-T150 WeakPolarHBondContact CA-OG1 3.37Å; P147-T150 PolarHBondContact O-N 3.48Å; P147-G151 WeakPolarHBondContact O-CA 3.43Å; P147-G151 PolarHBondContact O-N 3.28Å
148S95.1Very high96.5Very high98 Ų9839.3 Ų39.369%0.68523%0.229SC*.Hα-helixtrans-60.2-29.5177.453.70000113.7I146I146-S148 PolarHBondContact O-N 3.33Å
149F95.1Very high96.7Very high131 Ų13133.5 Ų33.558%0.57519%0.193SC*.Hα-helixtrans-99.4-33.3176.3-81.2-99.1000113.1T52 I146 P147T52-F149 HydrophobicContact CG2-CD1 3.92Å; T52-F149 HydrophobicContact CG2-CD2 4.4Å; T52-F149 HydrophobicContact CG2-CE1 3.46Å; T52-F149 VanDerWaalsContact CG2-CE1 3.46Å; T52-F149 HydrophobicContact CG2-CE2 3.99Å; T52-F149 HydrophobicContact CG2-CG 4.37Å; T52-F149 HydrophobicContact CG2-CZ 3.5Å; I146-F149 HydrophobicContact CD1-CB 4.37Å; I146-F149 HydrophobicContact CD1-CD2 3.41Å; I146-F149 VanDerWaalsContact CD1-CD2 3.41Å; I146-F149 HydrophobicContact CD1-CE2 4.01Å; I146-F149 HydrophobicContact CD1-CG 4.14Å; I146-F149 HydrophobicContact CG1-CB 4.24Å; I146-F149 HydrophobicContact CG1-CD2 3.82Å; I146-F149 HydrophobicContact CG1-CG 4.44Å; I146-F149 HydrophobicContact CG2-CB 4.28Å; I146-F149 PolarHBondContact O-N 3.03Å; P147-F149 PolarHBondContact O-N 3.34Å
150T97.2Very high96.7Very high4 Ų432.7 Ų32.73%0.02519%0.189CC..Hα-helixtrans-89.8-27.6-173.758.60000113.4I112 S115 K118 I146 P147 V152I112-T150 HydrophobicContact CD1-CG2 3.54Å; I112-T150 HydrophobicContact CG1-CG2 3.48Å; I112-T150 VanDerWaalsContact CG1-CG2 3.48Å; S115-T150 VanDerWaalsContact CB-O 3.3Å; S115-T150 WeakPolarHBondContact CB-O 3.44Å; K118-T150 WeakPolarHBondContact CE-O 3.21Å; I146-T150 HydrophobicContact CG2-CG2 4.1Å; I146-T150 WeakPolarHBondContact O-CG2 3.35Å; I146-T150 PolarHBondContact O-N 2.95Å; I146-T150 PolarHBondContact O-OG1 2.94Å; P147-T150 WeakPolarHBondContact CA-OG1 3.37Å; P147-T150 PolarHBondContact O-N 3.48Å; T150-V152 PolarHBondContact O-N 2.98Å; T150-V152 PolarHBondContact OG1-N 3.32Å
151G96.8Very high96.6Very high34 Ų3435.5 Ų35.535%0.35120%0.2SC..  trans62.416.9-167.400000113.9P147P147-G151 WeakPolarHBondContact O-CA 3.43Å; P147-G151 PolarHBondContact O-N 3.28Å
152V96.3Very high96.4Very high2 Ų239 Ų391%0.01222%0.219CC..  trans-91.4107.8179.8176.40000108.9S113 K118 P119 T150 V154S113-V152 WeakPolarHBondContact OG-CG2 3.41Å; K118-V152 HydrophobicContact CB-CG2 4.03Å; K118-V152 HydrophobicContact CG-CG2 4Å; P119-V152 HydrophobicContact CG-CG1 4.04Å; P119-V152 HydrophobicContact CG-CG2 4.42Å; T150-V152 PolarHBondContact O-N 2.98Å; T150-V152 PolarHBondContact OG1-N 3.32Å; V152-V154 HydrophobicContact CG1-CB 4.45Å; V152-V154 HydrophobicContact CG1-CG2 4.05Å; V152-V154 PolarHBondContact O-N 3.5Å
153N89.7Confident96.4Very high141 Ų14138.6 Ų38.675%0.75422%0.217SC*.  trans-102.359.1-175.1-60.9-30.7000110.8
154V95.3Very high96.4Very high11 Ų1141.1 Ų41.17%0.06723%0.229CC..  trans-105.9126.5171.2-179.60000107.3A122 V152 V156 V159A122-V154 HydrophobicContact CB-CG1 3.9Å; V152-V154 HydrophobicContact CG1-CB 4.45Å; V152-V154 HydrophobicContact CG1-CG2 4.05Å; V152-V154 PolarHBondContact O-N 3.5Å; V154-V156 PolarHBondContact O-N 3.41Å; V154-V159 HydrophobicContact CB-CG2 4.46Å; V154-V159 HydrophobicContact CG1-CG2 3.68Å
155P95.4Very high96.3Very high58 Ų5848.6 Ų48.638%0.37726%0.261SS..  trans-56.1132.4175.1-24.534.4000110.8K157 D158 V159P155-K157 VanDerWaalsContact C-N 3.27Å; P155-K157 PolarHBondContact O-N 2.67Å; P155-D158 PolarHBondContact O-N 2.79Å; P155-V159 PolarHBondContact O-N 2.91Å
156V96.7Very high96.3Very high0 Ų049.3 Ų49.30%027%0.265CS..Hα-helixtrans-65.8-35.9-176.4178.70000110.7Y143 Q145 V154 D158 V159 I160 V173 F175 D182 C186Y143-V156 HydrophobicContact CD1-CG1 4.26Å; Y143-V156 HydrophobicContact CE1-CG1 4.43Å; Y143-V156 HydrophobicContact CE1-CG2 4.21Å; Q145-V156 HydrophobicContact CB-CG2 3.84Å; Q145-V156 VanDerWaalsContact CD-CG2 3.46Å; Q145-V156 HydrophobicContact CG-CG2 3.4Å; V154-V156 PolarHBondContact O-N 3.41Å; V156-D158 PolarHBondContact O-N 2.97Å; V156-V159 WeakPolarHBondContact O-CB 3.45Å; V156-V159 PolarHBondContact O-N 2.62Å; V156-I160 HydrophobicContact CG1-CG2 4Å; V156-I160 WeakPolarHBondContact O-CG1 3.3Å; V156-I160 PolarHBondContact O-N 2.94Å; V156-V173 HydrophobicContact CG1-CG1 4.02Å; V156-V173 HydrophobicContact CG1-CG2 4.03Å; V156-F175 HydrophobicContact CB-CD2 4.25Å; V156-F175 HydrophobicContact CB-CE2 3.99Å; V156-F175 HydrophobicContact CG1-CD2 4.43Å; V156-F175 HydrophobicContact CG2-CD2 3.8Å; V156-F175 HydrophobicContact CG2-CE2 3.53Å; V156-D182 PolarHBondContact N-OD1 3.49Å; V156-D182 VanDerWaalsContact N-OD1 3.09Å; V156-D182 PolarHBondContact N-OD2 2.91Å; V156-C186 WeakPolarHBondContact CB-SG 3.14Å; V156-C186 WeakPolarHBondContact CG1-SG 3.24Å
157K95.1Very high96.3Very high31 Ų3148.9 Ų48.914%0.13526%0.263CS..Hα-helixtrans-52.4-36.9174.7172.658.8-166.5670113.1P155 E161 D182 Q185 Y189P155-K157 VanDerWaalsContact C-N 3.27Å; P155-K157 PolarHBondContact O-N 2.67Å; K157-E161 IonicContact NZ-OE1 2.72Å; K157-E161 PolarHBondContact NZ-OE1 2.73Å; K157-E161 PolarHBondContact O-N 3.1Å; K157-D182 PolarHBondContact N-OD1 3.12Å; K157-D182 VanDerWaalsContact N-OD1 3.14Å; K157-Q185 HydrophobicContact CB-CB 4.02Å; K157-Q185 HydrophobicContact CD-CB 4.44Å; K157-Q185 HydrophobicContact CG-CB 4.13Å; K157-Y189 HydrophobicContact CD-CD2 4.3Å; K157-Y189 HydrophobicContact CD-CG 3.96Å; K157-Y189 VanDerWaalsContact CE-CD2 3.46Å
158D97Very high96.4Very high75 Ų7551.8 Ų51.840%0.40128%0.282SS..Hα-helixtrans-75-31.2179.4-62.4-15.8000111.9A122 P155 V156A122-D158 HydrophobicContact CB-CB 3.84Å; P155-D158 PolarHBondContact O-N 2.79Å; V156-D158 PolarHBondContact O-N 2.97Å
159V98.1Very high96.5Very high0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-71.7-41.5177.3-178.80000111A122 L125 R126 L129 V154 P155 V156A122-V159 HydrophobicContact CB-CG2 4.33Å; L125-V159 HydrophobicContact CD2-CG1 4.13Å; L125-V159 HydrophobicContact CD2-CG2 3.61Å; L125-V159 HydrophobicContact CG-CG1 4.19Å; L125-V159 HydrophobicContact CG-CG2 4.36Å; R126-V159 WeakPolarHBondContact CD-O 3.45Å; R126-V159 HydrophobicContact CG-CG1 4.11Å; R126-V159 VanDerWaalsContact CG-O 3.31Å; R126-V159 WeakPolarHBondContact CG-O 3.46Å; L129-V159 HydrophobicContact CD1-CG1 3.91Å; V154-V159 HydrophobicContact CB-CG2 4.46Å; V154-V159 HydrophobicContact CG1-CG2 3.68Å; P155-V159 PolarHBondContact O-N 2.91Å; V156-V159 WeakPolarHBondContact O-CB 3.45Å; V156-V159 PolarHBondContact O-N 2.62Å
160I97.8Very high96.7Very high1 Ų141.6 Ų41.61%0.00523%0.227CC..Hα-helixtrans-85.4-8.2-174.368.2178.3000113.6V156 D162 I163 F170 V173 C186 Y189 W194V156-I160 HydrophobicContact CG1-CG2 4Å; V156-I160 WeakPolarHBondContact O-CG1 3.3Å; V156-I160 PolarHBondContact O-N 2.94Å; I160-D162 PolarHBondContact O-N 2.98Å; I160-I163 HydrophobicContact CB-CG2 4.34Å; I160-I163 WeakPolarHBondContact O-CB 3.42Å; I160-I163 WeakPolarHBondContact O-CG2 3.47Å; I160-I163 PolarHBondContact O-N 3.09Å; I160-I163 VanDerWaalsContact O-N 3.14Å; I160-F170 HydrophobicContact CB-CZ 4.45Å; I160-F170 HydrophobicContact CG2-CE1 4.29Å; I160-F170 HydrophobicContact CG2-CZ 3.7Å; I160-V173 HydrophobicContact CG2-CG2 3.78Å; I160-C186 HydrophobicContact CD1-CB 3.94Å; I160-Y189 HydrophobicContact CD1-CD1 4.1Å; I160-Y189 HydrophobicContact CG1-CD1 4Å; I160-Y189 WeakPolarHBondContact O-CE1 3.36Å; I160-W194 HydrophobicContact CB-CZ3 4.22Å; I160-W194 HydrophobicContact CD1-CZ3 4.27Å
161E96.7Very high96.7Very high88 Ų8843.2 Ų43.241%0.41123%0.233SC..THydrogen-bonded Turntrans-61.3121179.5-175.4159.6-101.500111.8R126 K157 I163R126-E161 PolarHBondContact NH1-O 3.12Å; K157-E161 IonicContact NZ-OE1 2.72Å; K157-E161 PolarHBondContact NZ-OE1 2.73Å; K157-E161 PolarHBondContact O-N 3.1Å; E161-I163 PolarHBondContact O-N 3.47Å
162D95.6Very high96.8Very high74 Ų7441.6 Ų41.640%0.39622%0.216SC..THydrogen-bonded Turntrans52.524.6-176.4-79.8-25.3000113.6I160 E164 K165 Y189I160-D162 PolarHBondContact O-N 2.98Å; D162-E164 PolarHBondContact O-N 2.93Å; D162-E164 VanDerWaalsContact O-N 3.17Å; D162-K165 HydrophobicContact CB-CD 4.02Å; D162-K165 HydrophobicContact CB-CG 4.46Å; D162-K165 WeakPolarHBondContact O-CB 3.45Å; D162-K165 PolarHBondContact O-N 2.91Å; D162-K165 WeakPolarHBondContact OD1-CE 3.11Å; D162-K165 IonicContact OD1-NZ 3.21Å; D162-K165 PolarHBondContact OD1-NZ 3.25Å; D162-K165 IonicContact OD2-NZ 2.91Å; D162-K165 PolarHBondContact OD2-NZ 2.98Å; D162-Y189 PolarHBondContact N-OH 3.49Å
163I98.2Very high96.9Very high0 Ų041.6 Ų41.60%022%0.216CC..G310 helixtrans-62.5-30.5-168.5-167.555.9000112.9R126 I160 E161 K165 L166 I167 F170 W194R126-I163 HydrophobicContact CB-CD1 4.28Å; R126-I163 HydrophobicContact CG-CD1 3.77Å; I160-I163 HydrophobicContact CB-CG2 4.34Å; I160-I163 WeakPolarHBondContact O-CB 3.42Å; I160-I163 WeakPolarHBondContact O-CG2 3.47Å; I160-I163 PolarHBondContact O-N 3.09Å; I160-I163 VanDerWaalsContact O-N 3.14Å; E161-I163 PolarHBondContact O-N 3.47Å; I163-K165 PolarHBondContact O-N 2.71Å; I163-L166 HydrophobicContact CD1-CB 4.47Å; I163-L166 HydrophobicContact CD1-CD2 4.32Å; I163-L166 CarbonylContact O-C 3.53Å; I163-L166 WeakPolarHBondContact O-CA 3.31Å; I163-L166 WeakPolarHBondContact O-CB 3.37Å; I163-L166 PolarHBondContact O-N 3.45Å; I163-I167 HydrophobicContact CD1-CD1 3.82Å; I163-I167 HydrophobicContact CD1-CG1 4.08Å; I163-I167 HydrophobicContact CG1-CB 4.47Å; I163-I167 HydrophobicContact CG1-CD1 4.11Å; I163-I167 HydrophobicContact CG1-CG1 4.32Å; I163-I167 PolarHBondContact O-N 3.28Å; I163-F170 HydrophobicContact CG1-CD2 3.9Å; I163-F170 HydrophobicContact CG1-CE2 4.23Å; I163-F170 HydrophobicContact CG1-CG 4.24Å; I163-F170 HydrophobicContact CG2-CB 4.15Å; I163-F170 HydrophobicContact CG2-CD1 3.49Å; I163-F170 VanDerWaalsContact CG2-CD1 3.49Å; I163-F170 HydrophobicContact CG2-CD2 4.01Å; I163-F170 HydrophobicContact CG2-CE1 3.78Å; I163-F170 HydrophobicContact CG2-CE2 4.28Å; I163-F170 HydrophobicContact CG2-CG 3.62Å; I163-F170 HydrophobicContact CG2-CZ 4.17Å; I163-W194 HydrophobicContact CG2-CH2 3.67Å; I163-W194 HydrophobicContact CG2-CZ2 3.88Å
164E97.6Very high97.3Very high53 Ų5335.2 Ų35.225%0.24818%0.181CC..G310 helixtrans-66.2-24.4178.5-76.2-178.6137.400114D162 L166 I167 P168 F170 R171 H193 W194D162-E164 PolarHBondContact O-N 2.93Å; D162-E164 VanDerWaalsContact O-N 3.17Å; E164-L166 PolarHBondContact O-N 2.97Å; E164-I167 WeakPolarHBondContact CA-O 3.13Å; E164-I167 CarbonylContact O-C 3.57Å; E164-P168 WeakPolarHBondContact O-CA 3.49Å; E164-F170 HydrophobicContact CG-CB 4.19Å; E164-R171 IonicContact OE1-NH1 3.12Å; E164-H193 IonicContact OE1-CD2 2.97Å; E164-H193 IonicContact OE1-CE1 3.73Å; E164-H193 IonicContact OE1-NE2 3.64Å; E164-H193 PolarHBondContact OE1-NE2 3.04Å; E164-H193 IonicContact OE2-CE1 3.68Å; E164-H193 IonicContact OE2-NE2 3.73Å; E164-W194 HydrophobicContact CG-CZ2 3.75Å; E164-W194 PolarHBondContact OE1-NE1 3.42Å
165K97.3Very high97.5Very high163 Ų16334.9 Ų34.971%0.70918%0.179SC*.G310 helixtrans-64.4-26.4171.3-59.7-178.9-170.8162.40111.4D162 I163D162-K165 HydrophobicContact CB-CD 4.02Å; D162-K165 HydrophobicContact CB-CG 4.46Å; D162-K165 WeakPolarHBondContact O-CB 3.45Å; D162-K165 PolarHBondContact O-N 2.91Å; D162-K165 WeakPolarHBondContact OD1-CE 3.11Å; D162-K165 IonicContact OD1-NZ 3.21Å; D162-K165 PolarHBondContact OD1-NZ 3.25Å; D162-K165 IonicContact OD2-NZ 2.91Å; D162-K165 PolarHBondContact OD2-NZ 2.98Å; I163-K165 PolarHBondContact O-N 2.71Å
166L97.7Very high97.6Very high21 Ų2132.4 Ų32.411%0.1116%0.163CC..THydrogen-bonded Turntrans-99.8-36.9-179.7-167.573.2000112.4R126 Q130 I163 E164R126-L166 HydrophobicContact CB-CD2 3.74Å; Q130-L166 HydrophobicContact CB-CD2 4.06Å; Q130-L166 HydrophobicContact CB-CG 4.01Å; Q130-L166 HydrophobicContact CG-CD1 4.38Å; Q130-L166 HydrophobicContact CG-CG 3.99Å; Q130-L166 PolarHBondContact NE2-O 2.86Å; Q130-L166 VanDerWaalsContact OE1-CD1 3.31Å; I163-L166 HydrophobicContact CD1-CB 4.47Å; I163-L166 HydrophobicContact CD1-CD2 4.32Å; I163-L166 CarbonylContact O-C 3.53Å; I163-L166 WeakPolarHBondContact O-CA 3.31Å; I163-L166 WeakPolarHBondContact O-CB 3.37Å; I163-L166 PolarHBondContact O-N 3.45Å; E164-L166 PolarHBondContact O-N 2.97Å
167I98.4Very high97.4Very high3 Ų332.9 Ų32.92%0.01517%0.167CC..  trans-13182.7-175.4-49.4-176.4000108.1L129 Q130 A133 F141 I163 E164 S169 F170L129-I167 HydrophobicContact CB-CD1 3.76Å; Q130-I167 HydrophobicContact CB-CD1 4.27Å; Q130-I167 HydrophobicContact CB-CG1 4.04Å; Q130-I167 HydrophobicContact CG-CG1 4.49Å; A133-I167 HydrophobicContact CB-CG2 3.46Å; A133-I167 VanDerWaalsContact CB-CG2 3.46Å; F141-I167 HydrophobicContact CB-CG2 4.45Å; F141-I167 HydrophobicContact CD1-CG2 4.23Å; F141-I167 HydrophobicContact CE1-CD1 4.39Å; F141-I167 HydrophobicContact CG-CG2 4.44Å; I163-I167 HydrophobicContact CD1-CD1 3.82Å; I163-I167 HydrophobicContact CD1-CG1 4.08Å; I163-I167 HydrophobicContact CG1-CB 4.47Å; I163-I167 HydrophobicContact CG1-CD1 4.11Å; I163-I167 HydrophobicContact CG1-CG1 4.32Å; I163-I167 PolarHBondContact O-N 3.28Å; E164-I167 WeakPolarHBondContact CA-O 3.13Å; E164-I167 CarbonylContact O-C 3.57Å; I167-S169 PolarHBondContact O-N 3.24Å; I167-S169 VanDerWaalsContact O-N 3.08Å; I167-F170 HydrophobicContact CB-CB 4.19Å; I167-F170 HydrophobicContact CG2-CB 4.1Å; I167-F170 VanDerWaalsContact O-CB 3.22Å; I167-F170 WeakPolarHBondContact O-CB 3.48Å; I167-F170 PolarHBondContact O-N 3.34Å
168P97.6Very high97.4Very high100 Ų10033.7 Ų33.765%0.64919%0.185SC*.THydrogen-bonded Turntrans-59.3-24-176.8-2735.9000114.5E164 F170 R171E164-P168 WeakPolarHBondContact O-CA 3.49Å; P168-F170 VanDerWaalsContact C-N 3.31Å; P168-R171 PolarHBondContact O-NH1 3.45Å
169S97.8Very high97.4Very high14 Ų1434.5 Ų34.510%0.09819%0.189CC..THydrogen-bonded Turntrans-84.51.7176.862.40000114L139 F141 I167 R171L139-S169 VanDerWaalsContact O-CB 3.3Å; L139-S169 WeakPolarHBondContact O-CB 3.36Å; F141-S169 PolarHBondContact N-O 3.17Å; I167-S169 PolarHBondContact O-N 3.24Å; I167-S169 VanDerWaalsContact O-N 3.08Å; S169-R171 PolarHBondContact O-N 3.49Å
170F98.5Very high97.3Very high0 Ų036.9 Ų36.90%020%0.202CC..EExtended strand (participates in β ladder)trans-60.6130.1178.8-169.7-89.6000110.5F141 I160 I163 E164 I167 P168 G172 V173 W194F141-F170 AromaticContact CD1-CD2 3.91Å; F141-F170 HydrophobicContact CD1-CD2 3.91Å; F141-F170 HydrophobicContact CD1-CE2 4.46Å; F141-F170 HydrophobicContact CE1-CD2 4.41Å; F141-F170 WeakPolarHBondContact O-CA 3.37Å; I160-F170 HydrophobicContact CB-CZ 4.45Å; I160-F170 HydrophobicContact CG2-CE1 4.29Å; I160-F170 HydrophobicContact CG2-CZ 3.7Å; I163-F170 HydrophobicContact CG1-CD2 3.9Å; I163-F170 HydrophobicContact CG1-CE2 4.23Å; I163-F170 HydrophobicContact CG1-CG 4.24Å; I163-F170 HydrophobicContact CG2-CB 4.15Å; I163-F170 HydrophobicContact CG2-CD1 3.49Å; I163-F170 VanDerWaalsContact CG2-CD1 3.49Å; I163-F170 HydrophobicContact CG2-CD2 4.01Å; I163-F170 HydrophobicContact CG2-CE1 3.78Å; I163-F170 HydrophobicContact CG2-CE2 4.28Å; I163-F170 HydrophobicContact CG2-CG 3.62Å; I163-F170 HydrophobicContact CG2-CZ 4.17Å; E164-F170 HydrophobicContact CG-CB 4.19Å; I167-F170 HydrophobicContact CB-CB 4.19Å; I167-F170 HydrophobicContact CG2-CB 4.1Å; I167-F170 VanDerWaalsContact O-CB 3.22Å; I167-F170 WeakPolarHBondContact O-CB 3.48Å; I167-F170 PolarHBondContact O-N 3.34Å; P168-F170 VanDerWaalsContact C-N 3.31Å; F170-G172 WeakPolarHBondContact CZ-O 3.46Å; F170-V173 HydrophobicContact CZ-CG2 3.92Å; F170-W194 HydrophobicContact CD1-CD2 4.01Å; F170-W194 AromaticContact CD1-CE2 3.75Å; F170-W194 HydrophobicContact CD1-CE3 4.31Å; F170-W194 HydrophobicContact CD1-CH2 4.21Å; F170-W194 AromaticContact CD1-CZ2 3.89Å; F170-W194 HydrophobicContact CD1-CZ2 3.89Å; F170-W194 HydrophobicContact CD1-CZ3 4.4Å; F170-W194 AromaticContact CE1-CD2 3.99Å; F170-W194 HydrophobicContact CE1-CD2 3.99Å; F170-W194 AromaticContact CE1-CE3 3.86Å; F170-W194 HydrophobicContact CE1-CE3 3.86Å; F170-W194 HydrophobicContact CE1-CH2 4.14Å; F170-W194 HydrophobicContact CE1-CZ2 4.25Å; F170-W194 AromaticContact CE1-CZ3 3.93Å; F170-W194 HydrophobicContact CE1-CZ3 3.93Å
171R98.2Very high97.3Very high39 Ų3942.6 Ų42.615%0.14723%0.232CC..EExtended strand (participates in β ladder)trans-1328.1-178.2-70-62.7-177.5-88.84.5113.5D6 P140 F141 Y142 E164 P168 S169 W194 S195D6-R171 IonicContact OD1-CZ 3.24Å; D6-R171 IonicContact OD1-NE 2.72Å; D6-R171 PolarHBondContact OD1-NE 3.01Å; D6-R171 IonicContact OD1-NH2 2.7Å; D6-R171 IonicContact OD2-CZ 2.87Å; D6-R171 IonicContact OD2-NE 2.63Å; D6-R171 IonicContact OD2-NH2 2.7Å; D6-R171 PolarHBondContact OD2-NH2 2.88Å; P140-R171 HydrophobicContact CB-CB 4.04Å; P140-R171 HydrophobicContact CB-CG 3.73Å; P140-R171 HydrophobicContact CG-CG 4.29Å; F141-R171 PolarHBondContact O-N 3.39Å; Y142-R171 HydrophobicContact CE1-CB 3.86Å; Y142-R171 VanDerWaalsContact CE1-O 3.27Å; Y142-R171 WeakPolarHBondContact CE1-O 3.36Å; Y142-R171 HydrophobicContact CE2-CB 4.41Å; E164-R171 IonicContact OE1-NH1 3.12Å; P168-R171 PolarHBondContact O-NH1 3.45Å; S169-R171 PolarHBondContact O-N 3.49Å; R171-W194 CarbonylContact O-C 3.22Å; R171-W194 VanDerWaalsContact O-CA 3.25Å; R171-W194 WeakPolarHBondContact O-CA 3.26Å; R171-S195 PolarHBondContact O-N 2.86Å
172G98.1Very high97.3Very high0 Ų039.1 Ų39.10%022%0.216CC..EExtended strand (participates in β ladder)trans136.5-154.5165.800000114.7Y142 Y143 F170 S195Y142-G172 WeakPolarHBondContact CA-O 3.17Å; Y143-G172 PolarHBondContact N-O 2.79Å; F170-G172 WeakPolarHBondContact CZ-O 3.46Å; G172-S195 CarbonylContact C-O 3.47Å; G172-S195 VanDerWaalsContact CA-O 3.32Å; G172-S195 WeakPolarHBondContact CA-O 3.32Å
173V98.5Very high97.4Very high1 Ų135.6 Ų35.61%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-136.6133.4-167.7-176.50000110.1Y143 Q145 V156 I160 F170 F175 S195 L197Y143-V173 HydrophobicContact CD1-CG1 4.23Å; Y143-V173 CarbonylContact O-C 3.45Å; Y143-V173 VanDerWaalsContact O-CA 3.31Å; Y143-V173 WeakPolarHBondContact O-CA 3.35Å; Q145-V173 HydrophobicContact CB-CG1 4.37Å; V156-V173 HydrophobicContact CG1-CG1 4.02Å; V156-V173 HydrophobicContact CG1-CG2 4.03Å; I160-V173 HydrophobicContact CG2-CG2 3.78Å; F170-V173 HydrophobicContact CZ-CG2 3.92Å; V173-F175 HydrophobicContact CG1-CB 4.12Å; V173-F175 HydrophobicContact CG1-CD2 4.45Å; V173-S195 PolarHBondContact N-O 3.31Å; V173-L197 PolarHBondContact O-N 3.25Å
174K98.6Very high97.4Very high8 Ų836.4 Ų36.44%0.03521%0.206CC..EExtended strand (participates in β ladder)trans-88.9107.6155174-178.4176.9-171.70108.1F48 Y143 Y144 Q145 S176 L197 V216F48-K174 HydrophobicContact CE1-CD 4.29Å; F48-K174 HydrophobicContact CE2-CD 4.13Å; F48-K174 HydrophobicContact CZ-CD 3.98Å; Y143-K174 PolarHBondContact O-N 3.01Å; Y144-K174 HydrophobicContact CD2-CB 4.11Å; Y144-K174 HydrophobicContact CD2-CD 3.49Å; Y144-K174 VanDerWaalsContact CD2-CD 3.49Å; Y144-K174 HydrophobicContact CD2-CG 3.76Å; Y144-K174 HydrophobicContact CE2-CD 3.53Å; Y144-K174 HydrophobicContact CE2-CG 4.04Å; Y144-K174 HydrophobicContact CG-CD 4.08Å; Y144-K174 PolarHBondContact OH-NZ 3.19Å; Q145-K174 PolarHBondContact N-O 2.95Å; K174-S176 WeakPolarHBondContact CE-OG 3.43Å; K174-L197 CarbonylContact C-O 3.59Å; K174-L197 WeakPolarHBondContact CA-O 3.31Å; K174-V216 HydrophobicContact CD-CB 3.74Å; K174-V216 HydrophobicContact CD-CG1 3.64Å; K174-V216 HydrophobicContact CD-CG2 4.24Å; K174-V216 HydrophobicContact CG-CB 3.97Å; K174-V216 HydrophobicContact CG-CG1 4.43Å; K174-V216 HydrophobicContact CG-CG2 4.24Å
175F98.6Very high97.4Very high4 Ų438.4 Ų38.42%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-102.299.5-174.7-167.7-79.9000111Q145 V156 V173 G177 D182 F183 L197 Y198 G199Q145-F175 HydrophobicContact CG-CD2 4.31Å; Q145-F175 HydrophobicContact CG-CE2 4.42Å; V156-F175 HydrophobicContact CB-CD2 4.25Å; V156-F175 HydrophobicContact CB-CE2 3.99Å; V156-F175 HydrophobicContact CG1-CD2 4.43Å; V156-F175 HydrophobicContact CG2-CD2 3.8Å; V156-F175 HydrophobicContact CG2-CE2 3.53Å; V173-F175 HydrophobicContact CG1-CB 4.12Å; V173-F175 HydrophobicContact CG1-CD2 4.45Å; F175-G177 WeakPolarHBondContact CE1-O 3.36Å; F175-D182 HydrophobicContact CE2-CB 4.33Å; F175-D182 HydrophobicContact CZ-CB 4.13Å; F175-F183 HydrophobicContact CB-CD2 3.74Å; F175-F183 HydrophobicContact CB-CE2 3.98Å; F175-F183 HydrophobicContact CD1-CB 4.11Å; F175-F183 AromaticContact CD1-CD2 3.64Å; F175-F183 HydrophobicContact CD1-CD2 3.64Å; F175-F183 HydrophobicContact CD1-CG 4.28Å; F175-F183 HydrophobicContact CD2-CD2 4.13Å; F175-F183 HydrophobicContact CE1-CB 3.85Å; F175-F183 HydrophobicContact CE1-CD2 4.26Å; F175-F183 HydrophobicContact CE1-CG 4.5Å; F175-F183 HydrophobicContact CE2-CB 4.41Å; F175-F183 AromaticContact CG-CD2 3.58Å; F175-F183 HydrophobicContact CG-CD2 3.58Å; F175-F183 HydrophobicContact CG-CE2 4.33Å; F175-F183 HydrophobicContact CZ-CB 4.01Å; F175-L197 PolarHBondContact N-O 3.28Å; F175-Y198 HydrophobicContact CD1-CD2 4.25Å; F175-Y198 HydrophobicContact CD1-CE2 4.07Å; F175-G199 PolarHBondContact O-N 3.49Å
176S97.8Very high97.4Very high6 Ų630.6 Ų30.64%0.04218%0.181CC..  trans-107.270.9179.8-48.50000110.4Q145 K174Q145-S176 WeakPolarHBondContact O-CA 3.34Å; Q145-S176 WeakPolarHBondContact O-CB 3.35Å; Q145-S176 PolarHBondContact O-N 2.95Å; K174-S176 WeakPolarHBondContact CE-OG 3.43Å
177G93.3Very high97.4Very high9 Ų931 Ų319%0.09318%0.184CC..SBendtrans-152.4156.1179.300000111.7F175 Y198F175-G177 WeakPolarHBondContact CE1-O 3.36Å; G177-Y198 PolarHBondContact O-OH 3.31Å
178G93.8Very high97.4Very high49 Ų4934.2 Ų34.251%0.50522%0.219SC..SBendtrans-87-3.3-178.800000115.8L180G178-L180 PolarHBondContact O-N 3.11Å; G178-L180 VanDerWaalsContact O-N 3.1Å
179D96.4Very high97.3Very high92 Ų9232.2 Ų32.249%0.49220%0.198SC..  trans-78.993.8177.9-169.4-19.6000110.6L181 D182 F183D179-L181 PolarHBondContact O-N 2.86Å; D179-L181 WeakPolarHBondContact OD1-CA 3.25Å; D179-L181 VanDerWaalsContact OD1-CB 3.28Å; D179-L181 WeakPolarHBondContact OD1-CB 3.32Å; D179-L181 PolarHBondContact OD1-N 3.48Å; D179-D182 HydrophobicContact CB-CB 4.39Å; D179-D182 PolarHBondContact OD1-N 2.93Å; D179-D182 VanDerWaalsContact OD1-N 3.15Å; D179-F183 WeakPolarHBondContact O-CB 3.18Å; D179-F183 PolarHBondContact O-N 3.4Å; D179-F183 VanDerWaalsContact O-N 3.09Å
180L97.3Very high97.2Very high50 Ų5032.9 Ų32.926%0.26220%0.203SC..Hα-helixtrans-71.1-15.8177.4-69.7178.7000113.3G178 F183 G184 Y198 A206 M210G178-L180 PolarHBondContact O-N 3.11Å; G178-L180 VanDerWaalsContact O-N 3.1Å; L180-F183 HydrophobicContact CD2-CB 4.49Å; L180-F183 HydrophobicContact CD2-CD1 4.3Å; L180-G184 PolarHBondContact O-N 3.24Å; L180-Y198 HydrophobicContact CD2-CE2 4Å; L180-Y198 WeakPolarHBondContact CD2-OH 3.49Å; L180-A206 HydrophobicContact CD1-CB 3.86Å; L180-M210 HydrophobicContact CD2-CG 4.2Å
181L97.3Very high97.1Very high121 Ų12136.5 Ų36.563%0.63422%0.22SC*.Hα-helixtrans-71.7-51.8174.1173.663.1000110D179 F183 G184 Q185D179-L181 PolarHBondContact O-N 2.86Å; D179-L181 WeakPolarHBondContact OD1-CA 3.25Å; D179-L181 VanDerWaalsContact OD1-CB 3.28Å; D179-L181 WeakPolarHBondContact OD1-CB 3.32Å; D179-L181 PolarHBondContact OD1-N 3.48Å; L181-F183 VanDerWaalsContact C-N 3.33Å; L181-F183 PolarHBondContact O-N 3.31Å; L181-G184 PolarHBondContact O-N 2.76Å; L181-Q185 WeakPolarHBondContact O-CG 3.48Å; L181-Q185 PolarHBondContact O-N 3.07Å
182D96.9Very high96.9Very high14 Ų1439.8 Ų39.88%0.07525%0.246CC..Hα-helixtrans-62.1-43175.2-174.920.6000110.6V156 K157 F175 D179 G184 Q185 C186V156-D182 PolarHBondContact N-OD1 3.49Å; V156-D182 VanDerWaalsContact N-OD1 3.09Å; V156-D182 PolarHBondContact N-OD2 2.91Å; K157-D182 PolarHBondContact N-OD1 3.12Å; K157-D182 VanDerWaalsContact N-OD1 3.14Å; F175-D182 HydrophobicContact CE2-CB 4.33Å; F175-D182 HydrophobicContact CZ-CB 4.13Å; D179-D182 HydrophobicContact CB-CB 4.39Å; D179-D182 PolarHBondContact OD1-N 2.93Å; D179-D182 VanDerWaalsContact OD1-N 3.15Å; D182-G184 PolarHBondContact O-N 3.06Å; D182-Q185 PolarHBondContact O-N 3.06Å; D182-C186 PolarHBondContact O-N 3.25Å; D182-C186 PolarHBondContact O-SG 3.09Å
183F98Very high96.7Very high0 Ų043.1 Ų43.10%026%0.262CS..Hα-helixtrans-57.2-48.7174.7-176.7-103.6000112.6F175 D179 L180 L181 Q185 C186 V187 V196 Y198 M210 A212F175-F183 HydrophobicContact CB-CD2 3.74Å; F175-F183 HydrophobicContact CB-CE2 3.98Å; F175-F183 HydrophobicContact CD1-CB 4.11Å; F175-F183 AromaticContact CD1-CD2 3.64Å; F175-F183 HydrophobicContact CD1-CD2 3.64Å; F175-F183 HydrophobicContact CD1-CG 4.28Å; F175-F183 HydrophobicContact CD2-CD2 4.13Å; F175-F183 HydrophobicContact CE1-CB 3.85Å; F175-F183 HydrophobicContact CE1-CD2 4.26Å; F175-F183 HydrophobicContact CE1-CG 4.5Å; F175-F183 HydrophobicContact CE2-CB 4.41Å; F175-F183 AromaticContact CG-CD2 3.58Å; F175-F183 HydrophobicContact CG-CD2 3.58Å; F175-F183 HydrophobicContact CG-CE2 4.33Å; F175-F183 HydrophobicContact CZ-CB 4.01Å; D179-F183 WeakPolarHBondContact O-CB 3.18Å; D179-F183 PolarHBondContact O-N 3.4Å; D179-F183 VanDerWaalsContact O-N 3.09Å; L180-F183 HydrophobicContact CD2-CB 4.49Å; L180-F183 HydrophobicContact CD2-CD1 4.3Å; L181-F183 VanDerWaalsContact C-N 3.33Å; L181-F183 PolarHBondContact O-N 3.31Å; F183-Q185 VanDerWaalsContact C-N 3.33Å; F183-Q185 PolarHBondContact O-N 3.16Å; F183-C186 WeakPolarHBondContact O-CA 3.21Å; F183-C186 VanDerWaalsContact O-CB 3.31Å; F183-C186 WeakPolarHBondContact O-CB 3.48Å; F183-C186 PolarHBondContact O-N 3.1Å; F183-C186 VanDerWaalsContact O-N 3.1Å; F183-V187 HydrophobicContact CD1-CG2 4.14Å; F183-V187 HydrophobicContact CE1-CG2 3.65Å; F183-V187 HydrophobicContact CE2-CG2 4.4Å; F183-V187 HydrophobicContact CZ-CG2 3.79Å; F183-V187 WeakPolarHBondContact O-CG2 3.49Å; F183-V187 PolarHBondContact O-N 3.1Å; F183-V196 HydrophobicContact CD2-CG1 4.13Å; F183-V196 HydrophobicContact CE2-CG1 3.47Å; F183-V196 VanDerWaalsContact CE2-CG1 3.47Å; F183-V196 HydrophobicContact CZ-CG1 4Å; F183-Y198 HydrophobicContact CD1-CD2 4.34Å; F183-Y198 HydrophobicContact CD1-CE2 4.4Å; F183-Y198 AromaticContact CD2-CD2 3.66Å; F183-Y198 HydrophobicContact CD2-CD2 3.66Å; F183-Y198 HydrophobicContact CD2-CE2 4.02Å; F183-Y198 HydrophobicContact CE1-CD2 4.23Å; F183-Y198 AromaticContact CE2-CD2 3.48Å; F183-Y198 HydrophobicContact CE2-CD2 3.48Å; F183-Y198 VanDerWaalsContact CE2-CD2 3.48Å; F183-Y198 HydrophobicContact CE2-CE2 4.28Å; F183-Y198 HydrophobicContact CE2-CG 4.28Å; F183-Y198 HydrophobicContact CG-CD2 4.08Å; F183-Y198 HydrophobicContact CG-CE2 4.07Å; F183-Y198 AromaticContact CZ-CD2 3.81Å; F183-Y198 HydrophobicContact CZ-CD2 3.81Å; F183-Y198 HydrophobicContact CZ-CG 4.32Å; F183-M210 HydrophobicContact CD1-CB 3.72Å; F183-M210 HydrophobicContact CD1-CG 4.45Å; F183-M210 HydrophobicContact CE1-CB 3.8Å; F183-A212 HydrophobicContact CE1-CB 4.16Å; F183-A212 HydrophobicContact CZ-CB 3.66Å
184G98.1Very high96.6Very high18 Ų1843.2 Ų43.219%0.18626%0.262CS..Hα-helixtrans-63-37.717900000112.8L180 L181 D182 C186 V187 G188L180-G184 PolarHBondContact O-N 3.24Å; L181-G184 PolarHBondContact O-N 2.76Å; D182-G184 PolarHBondContact O-N 3.06Å; G184-C186 VanDerWaalsContact C-N 3.31Å; G184-C186 PolarHBondContact O-N 2.81Å; G184-V187 PolarHBondContact O-N 3.27Å; G184-G188 PolarHBondContact O-N 2.85Å
185Q97.6Very high96.6Very high94 Ų9442.9 Ų42.944%0.43926%0.261SS..Hα-helixtrans-63.9-37.6172.7-72.3178.8-2400111.9K157 L181 D182 F183 Y189K157-Q185 HydrophobicContact CB-CB 4.02Å; K157-Q185 HydrophobicContact CD-CB 4.44Å; K157-Q185 HydrophobicContact CG-CB 4.13Å; L181-Q185 WeakPolarHBondContact O-CG 3.48Å; L181-Q185 PolarHBondContact O-N 3.07Å; D182-Q185 PolarHBondContact O-N 3.06Å; F183-Q185 VanDerWaalsContact C-N 3.33Å; F183-Q185 PolarHBondContact O-N 3.16Å; Q185-Y189 VanDerWaalsContact O-CB 3.32Å; Q185-Y189 WeakPolarHBondContact O-CB 3.15Å; Q185-Y189 PolarHBondContact O-N 3.25Å
186C97Very high96.5Very high0 Ų042.8 Ų42.80%026%0.26CS..Hα-helixtrans-64.4-46.3174.1-65.90000112.1V156 I160 D182 F183 G184 Y189 S190 V196V156-C186 WeakPolarHBondContact CB-SG 3.14Å; V156-C186 WeakPolarHBondContact CG1-SG 3.24Å; I160-C186 HydrophobicContact CD1-CB 3.94Å; D182-C186 PolarHBondContact O-N 3.25Å; D182-C186 PolarHBondContact O-SG 3.09Å; F183-C186 WeakPolarHBondContact O-CA 3.21Å; F183-C186 VanDerWaalsContact O-CB 3.31Å; F183-C186 WeakPolarHBondContact O-CB 3.48Å; F183-C186 PolarHBondContact O-N 3.1Å; F183-C186 VanDerWaalsContact O-N 3.1Å; G184-C186 VanDerWaalsContact C-N 3.31Å; G184-C186 PolarHBondContact O-N 2.81Å; C186-Y189 PolarHBondContact O-N 2.94Å; C186-S190 WeakPolarHBondContact O-CB 3.3Å; C186-S190 PolarHBondContact O-N 3.1Å; C186-V196 HydrophobicContact CB-CG1 4.43Å
187V97.7Very high96.6Very high28 Ų2842.6 Ų42.617%0.1726%0.259CS..Hα-helixtrans-60.4-48.7176.3174.30000110.6F183 G184 Y189 S190 V196 M210F183-V187 HydrophobicContact CD1-CG2 4.14Å; F183-V187 HydrophobicContact CE1-CG2 3.65Å; F183-V187 HydrophobicContact CE2-CG2 4.4Å; F183-V187 HydrophobicContact CZ-CG2 3.79Å; F183-V187 WeakPolarHBondContact O-CG2 3.49Å; F183-V187 PolarHBondContact O-N 3.1Å; G184-V187 PolarHBondContact O-N 3.27Å; V187-Y189 PolarHBondContact O-N 2.9Å; V187-S190 WeakPolarHBondContact O-CB 3.17Å; V187-S190 PolarHBondContact O-N 3.29Å; V187-S190 VanDerWaalsContact O-N 3.11Å; V187-S190 PolarHBondContact O-OG 2.86Å; V187-V196 HydrophobicContact CG2-CB 4.22Å; V187-V196 HydrophobicContact CG2-CG1 4.06Å; V187-M210 WeakPolarHBondContact CG1-O 3.28Å
188G97.5Very high96.8Very high72 Ų7242.1 Ų42.174%0.74225%0.254SS*.Hα-helixtrans-64.4-25.6-179.300000114.4G184G184-G188 PolarHBondContact O-N 2.85Å
189Y96.6Very high97Very high57 Ų5740.5 Ų40.522%0.22424%0.237CC..Hα-helixtrans-90.7-15.5175.8-169.8-98.4000113.4K157 I160 D162 Q185 C186 V187 W194K157-Y189 HydrophobicContact CD-CD2 4.3Å; K157-Y189 HydrophobicContact CD-CG 3.96Å; K157-Y189 VanDerWaalsContact CE-CD2 3.46Å; I160-Y189 HydrophobicContact CD1-CD1 4.1Å; I160-Y189 HydrophobicContact CG1-CD1 4Å; I160-Y189 WeakPolarHBondContact O-CE1 3.36Å; D162-Y189 PolarHBondContact N-OH 3.49Å; Q185-Y189 VanDerWaalsContact O-CB 3.32Å; Q185-Y189 WeakPolarHBondContact O-CB 3.15Å; Q185-Y189 PolarHBondContact O-N 3.25Å; C186-Y189 PolarHBondContact O-N 2.94Å; V187-Y189 PolarHBondContact O-N 2.9Å; Y189-W194 HydrophobicContact CD1-CH2 4.44Å; Y189-W194 HydrophobicContact CD1-CZ3 4.25Å; Y189-W194 HydrophobicContact CE1-CH2 4.27Å
190S95.8Very high97.1Very high29 Ų2938 Ų3820%0.20322%0.223CC..  trans-64.8142.7-172.669.80000112.7C186 V187C186-S190 WeakPolarHBondContact O-CB 3.3Å; C186-S190 PolarHBondContact O-N 3.1Å; V187-S190 WeakPolarHBondContact O-CB 3.17Å; V187-S190 PolarHBondContact O-N 3.29Å; V187-S190 VanDerWaalsContact O-N 3.11Å; V187-S190 PolarHBondContact O-OG 2.86Å
191Q95.4Very high97.2Very high76 Ų7636.1 Ų36.136%0.35521%0.213SC..  trans-80.4156174.9-57.8-58.7-41.400110.8H193 W194Q191-H193 WeakPolarHBondContact CB-CE1 3.38Å; Q191-H193 PolarHBondContact O-N 3.32Å; Q191-H193 VanDerWaalsContact O-N 3.12Å; Q191-W194 HydrophobicContact CB-CD2 4.04Å; Q191-W194 HydrophobicContact CB-CG 3.98Å; Q191-W194 HydrophobicContact CB-CZ2 4.5Å; Q191-W194 HydrophobicContact CG-CD2 4.15Å; Q191-W194 HydrophobicContact CG-CH2 4.34Å; Q191-W194 HydrophobicContact CG-CZ2 3.76Å; Q191-W194 WeakPolarHBondContact O-CB 3.33Å; Q191-W194 PolarHBondContact O-N 3.33Å
192P94Very high97.2Very high107 Ų10733.2 Ų33.270%0.69520%0.197SC*.THydrogen-bonded Turntrans-54.5-34.8-178.3-28.836.4000114.4K8 W194K8-P192 WeakPolarHBondContact CD-O 3.44Å; K8-P192 PolarHBondContact NZ-O 3.27Å; P192-W194 VanDerWaalsContact C-N 3.34Å
193H94.9Very high97.2Very high70 Ų7035 Ų3532%0.32420%0.204SC..THydrogen-bonded Turntrans-85.51.2178.359.5-73.7000114.3E164 Q191E164-H193 IonicContact OE1-CD2 2.97Å; E164-H193 IonicContact OE1-CE1 3.73Å; E164-H193 IonicContact OE1-NE2 3.64Å; E164-H193 PolarHBondContact OE1-NE2 3.04Å; E164-H193 IonicContact OE2-CE1 3.68Å; E164-H193 IonicContact OE2-NE2 3.73Å; Q191-H193 WeakPolarHBondContact CB-CE1 3.38Å; Q191-H193 PolarHBondContact O-N 3.32Å; Q191-H193 VanDerWaalsContact O-N 3.12Å
194W96.8Very high97.2Very high4 Ų435 Ų352%0.01521%0.205CC..  trans-91.2151.9173.2-655.3000112K8 I160 I163 E164 F170 R171 Y189 Q191 P192 N213K8-W194 WeakPolarHBondContact CE-O 3.48Å; K8-W194 PolarHBondContact NZ-O 3.44Å; I160-W194 HydrophobicContact CB-CZ3 4.22Å; I160-W194 HydrophobicContact CD1-CZ3 4.27Å; I163-W194 HydrophobicContact CG2-CH2 3.67Å; I163-W194 HydrophobicContact CG2-CZ2 3.88Å; E164-W194 HydrophobicContact CG-CZ2 3.75Å; E164-W194 PolarHBondContact OE1-NE1 3.42Å; F170-W194 HydrophobicContact CD1-CD2 4.01Å; F170-W194 AromaticContact CD1-CE2 3.75Å; F170-W194 HydrophobicContact CD1-CE3 4.31Å; F170-W194 HydrophobicContact CD1-CH2 4.21Å; F170-W194 AromaticContact CD1-CZ2 3.89Å; F170-W194 HydrophobicContact CD1-CZ2 3.89Å; F170-W194 HydrophobicContact CD1-CZ3 4.4Å; F170-W194 AromaticContact CE1-CD2 3.99Å; F170-W194 HydrophobicContact CE1-CD2 3.99Å; F170-W194 AromaticContact CE1-CE3 3.86Å; F170-W194 HydrophobicContact CE1-CE3 3.86Å; F170-W194 HydrophobicContact CE1-CH2 4.14Å; F170-W194 HydrophobicContact CE1-CZ2 4.25Å; F170-W194 AromaticContact CE1-CZ3 3.93Å; F170-W194 HydrophobicContact CE1-CZ3 3.93Å; R171-W194 CarbonylContact O-C 3.22Å; R171-W194 VanDerWaalsContact O-CA 3.25Å; R171-W194 WeakPolarHBondContact O-CA 3.26Å; Y189-W194 HydrophobicContact CD1-CH2 4.44Å; Y189-W194 HydrophobicContact CD1-CZ3 4.25Å; Y189-W194 HydrophobicContact CE1-CH2 4.27Å; Q191-W194 HydrophobicContact CB-CD2 4.04Å; Q191-W194 HydrophobicContact CB-CG 3.98Å; Q191-W194 HydrophobicContact CB-CZ2 4.5Å; Q191-W194 HydrophobicContact CG-CD2 4.15Å; Q191-W194 HydrophobicContact CG-CH2 4.34Å; Q191-W194 HydrophobicContact CG-CZ2 3.76Å; Q191-W194 WeakPolarHBondContact O-CB 3.33Å; Q191-W194 PolarHBondContact O-N 3.33Å; P192-W194 VanDerWaalsContact C-N 3.34Å; W194-N213 PolarHBondContact O-OD1 3.18Å
195S97.1Very high97.3Very high0 Ų035.3 Ų35.30%020%0.202CC..EExtended strand (participates in β ladder)trans-113.9114.7171-570000110.9K8 V9 R171 G172 V173 N213K8-S195 VanDerWaalsContact CG-OG 3.24Å; K8-S195 WeakPolarHBondContact CG-OG 3.35Å; V9-S195 PolarHBondContact N-OG 3.33Å; V9-S195 VanDerWaalsContact N-OG 3.08Å; V9-S195 WeakPolarHBondContact O-CB 3.29Å; V9-S195 PolarHBondContact O-OG 3.49Å; R171-S195 PolarHBondContact O-N 2.86Å; G172-S195 CarbonylContact C-O 3.47Å; G172-S195 VanDerWaalsContact CA-O 3.32Å; G172-S195 WeakPolarHBondContact CA-O 3.32Å; V173-S195 PolarHBondContact N-O 3.31Å; S195-N213 WeakPolarHBondContact CA-OD1 3.28Å
196V98.1Very high97.3Very high2 Ų232.6 Ų32.61%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-95.7101.9168.1-168.40000107.7F183 C186 V187 N213F183-V196 HydrophobicContact CD2-CG1 4.13Å; F183-V196 HydrophobicContact CE2-CG1 3.47Å; F183-V196 VanDerWaalsContact CE2-CG1 3.47Å; F183-V196 HydrophobicContact CZ-CG1 4Å; C186-V196 HydrophobicContact CB-CG1 4.43Å; V187-V196 HydrophobicContact CG2-CB 4.22Å; V187-V196 HydrophobicContact CG2-CG1 4.06Å; V196-N213 PolarHBondContact N-OD1 3.38Å; V196-N213 PolarHBondContact O-N 3.02Å
197L98.6Very high97.4Very high2 Ų232.6 Ų32.61%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-100.2123.5-174.3-55.9172.5000109.6V9 V13 V173 K174 F175 G214 V216V9-L197 HydrophobicContact CB-CD1 4.5Å; V9-L197 HydrophobicContact CG1-CD1 3.72Å; V9-L197 HydrophobicContact CG1-CD2 4.13Å; V13-L197 HydrophobicContact CG2-CD1 4.4Å; V173-L197 PolarHBondContact O-N 3.25Å; K174-L197 CarbonylContact C-O 3.59Å; K174-L197 WeakPolarHBondContact CA-O 3.31Å; F175-L197 PolarHBondContact N-O 3.28Å; L197-G214 WeakPolarHBondContact CA-O 3.11Å; L197-V216 HydrophobicContact CB-CG2 3.8Å; L197-V216 HydrophobicContact CD1-CG2 3.52Å; L197-V216 HydrophobicContact CG-CG2 4.25Å
198Y98.6Very high97.4Very high0 Ų032 Ų320%019%0.192CC..EExtended strand (participates in β ladder)trans-83.2140.3-179.1-159.9-122.1000111.3F175 G177 L180 F183 M200 Q203 L204 G214 A215 V216F175-Y198 HydrophobicContact CD1-CD2 4.25Å; F175-Y198 HydrophobicContact CD1-CE2 4.07Å; G177-Y198 PolarHBondContact O-OH 3.31Å; L180-Y198 HydrophobicContact CD2-CE2 4Å; L180-Y198 WeakPolarHBondContact CD2-OH 3.49Å; F183-Y198 HydrophobicContact CD1-CD2 4.34Å; F183-Y198 HydrophobicContact CD1-CE2 4.4Å; F183-Y198 AromaticContact CD2-CD2 3.66Å; F183-Y198 HydrophobicContact CD2-CD2 3.66Å; F183-Y198 HydrophobicContact CD2-CE2 4.02Å; F183-Y198 HydrophobicContact CE1-CD2 4.23Å; F183-Y198 AromaticContact CE2-CD2 3.48Å; F183-Y198 HydrophobicContact CE2-CD2 3.48Å; F183-Y198 VanDerWaalsContact CE2-CD2 3.48Å; F183-Y198 HydrophobicContact CE2-CE2 4.28Å; F183-Y198 HydrophobicContact CE2-CG 4.28Å; F183-Y198 HydrophobicContact CG-CD2 4.08Å; F183-Y198 HydrophobicContact CG-CE2 4.07Å; F183-Y198 AromaticContact CZ-CD2 3.81Å; F183-Y198 HydrophobicContact CZ-CD2 3.81Å; F183-Y198 HydrophobicContact CZ-CG 4.32Å; Y198-M200 HydrophobicContact CD1-CB 4.31Å; Y198-M200 HydrophobicContact CE1-CB 3.76Å; Y198-Q203 HydrophobicContact CE1-CG 3.95Å; Y198-Q203 WeakPolarHBondContact CE1-O 3.42Å; Y198-Q203 PolarHBondContact OH-NE2 2.75Å; Y198-L204 HydrophobicContact CD1-CD1 4.22Å; Y198-G214 PolarHBondContact N-O 3.43Å; Y198-A215 CarbonylContact O-C 3.57Å; Y198-A215 WeakPolarHBondContact O-CA 3.44Å; Y198-A215 WeakPolarHBondContact O-CB 3.49Å; Y198-V216 PolarHBondContact O-N 3.43Å
199G98.2Very high97.4Very high14 Ų1432 Ų3214%0.14418%0.184CC..  trans-120.619.1-170.800000115.2F175 V216F175-G199 PolarHBondContact O-N 3.49Å; G199-V216 WeakPolarHBondContact CA-O 3.49Å
200M97.8Very high97.5Very high40 Ų4033 Ų3320%0.19719%0.192CC..  trans-117.689.2179-63.8-71.1-62.600109.2Y198 E202 Q203 L204Y198-M200 HydrophobicContact CD1-CB 4.31Å; Y198-M200 HydrophobicContact CE1-CB 3.76Å; M200-E202 VanDerWaalsContact C-N 3.27Å; M200-E202 WeakPolarHBondContact CE-OE1 3.38Å; M200-E202 PolarHBondContact O-N 3.03Å; M200-Q203 HydrophobicContact CB-CG 3.44Å; M200-Q203 VanDerWaalsContact CB-CG 3.44Å; M200-Q203 VanDerWaalsContact CB-NE2 3.28Å; M200-Q203 HydrophobicContact CG-CG 4.45Å; M200-Q203 CarbonylContact O-C 3.58Å; M200-Q203 PolarHBondContact O-N 3.09Å; M200-L204 PolarHBondContact O-N 3.11Å; M200-L204 VanDerWaalsContact O-N 3.13Å
201D98.4Very high97.6Very high10 Ų1033.1 Ų33.15%0.05320%0.198CC..G310 helixtrans-57.6-38.9-170.1-58.91.1000112.1Q203 L204 G217 S218 T219 Y220 Q246 L253D201-Q203 PolarHBondContact O-N 3.42Å; D201-Q203 VanDerWaalsContact O-N 3.17Å; D201-L204 PolarHBondContact O-N 3Å; D201-G217 WeakPolarHBondContact OD1-CA 3.49Å; D201-G217 WeakPolarHBondContact OD2-CA 3.45Å; D201-S218 PolarHBondContact OD2-N 3.34Å; D201-S218 VanDerWaalsContact OD2-N 3.1Å; D201-T219 HydrophobicContact CB-CG2 3.95Å; D201-T219 WeakPolarHBondContact CB-OG1 3.16Å; D201-T219 VanDerWaalsContact OD2-CB 3.29Å; D201-T219 WeakPolarHBondContact OD2-CB 3.41Å; D201-T219 VanDerWaalsContact OD2-CG2 3.26Å; D201-T219 WeakPolarHBondContact OD2-CG2 2.94Å; D201-T219 PolarHBondContact OD2-N 3.08Å; D201-T219 PolarHBondContact OD2-OG1 3.29Å; D201-Y220 HydrophobicContact CB-CE1 4.19Å; D201-Y220 PolarHBondContact OD1-OH 2.71Å; D201-Q246 PolarHBondContact O-NE2 2.85Å; D201-L253 HydrophobicContact CB-CD1 4.47Å
202E97.6Very high97.7Very high61 Ų6130.2 Ų30.229%0.28519%0.186SC..G310 helixtrans-67.7-10.7179.166.7-89-144.200114.1M200 Q246 Q250 L253M200-E202 VanDerWaalsContact C-N 3.27Å; M200-E202 WeakPolarHBondContact CE-OE1 3.38Å; M200-E202 PolarHBondContact O-N 3.03Å; E202-Q246 PolarHBondContact O-NE2 3.45Å; E202-Q250 HydrophobicContact CB-CG 4.49Å; E202-Q250 WeakPolarHBondContact O-CG 3.27Å; E202-Q250 PolarHBondContact O-NE2 3.07Å; E202-L253 HydrophobicContact CB-CD1 3.72Å
203Q97.6Very high97.9Very high51 Ų5127.2 Ų27.224%0.23817%0.165CC..G310 helixtrans-139.624.5-178.452.6172.52100112.4Y198 M200 D201 L205 A206 G207Y198-Q203 HydrophobicContact CE1-CG 3.95Å; Y198-Q203 WeakPolarHBondContact CE1-O 3.42Å; Y198-Q203 PolarHBondContact OH-NE2 2.75Å; M200-Q203 HydrophobicContact CB-CG 3.44Å; M200-Q203 VanDerWaalsContact CB-CG 3.44Å; M200-Q203 VanDerWaalsContact CB-NE2 3.28Å; M200-Q203 HydrophobicContact CG-CG 4.45Å; M200-Q203 CarbonylContact O-C 3.58Å; M200-Q203 PolarHBondContact O-N 3.09Å; D201-Q203 PolarHBondContact O-N 3.42Å; D201-Q203 VanDerWaalsContact O-N 3.17Å; Q203-L205 VanDerWaalsContact C-N 3.31Å; Q203-L205 PolarHBondContact O-N 3.11Å; Q203-A206 WeakPolarHBondContact O-CB 3.22Å; Q203-A206 PolarHBondContact O-N 3.06Å; Q203-A206 VanDerWaalsContact O-N 3.1Å; Q203-G207 PolarHBondContact O-N 2.86Å
204L98.6Very high98Very high1 Ų124 Ų241%0.00515%0.15CC..Hα-helixtrans-57.3-41-176.817456.9000112.9L12 Y198 M200 D201 A206 G207 L208 A215 V227 M230L12-L204 HydrophobicContact CD2-CD2 4.38Å; Y198-L204 HydrophobicContact CD1-CD1 4.22Å; M200-L204 PolarHBondContact O-N 3.11Å; M200-L204 VanDerWaalsContact O-N 3.13Å; D201-L204 PolarHBondContact O-N 3Å; L204-A206 PolarHBondContact O-N 2.7Å; L204-A206 VanDerWaalsContact O-N 3.16Å; L204-G207 CarbonylContact O-C 3.58Å; L204-G207 WeakPolarHBondContact O-CA 3.36Å; L204-G207 PolarHBondContact O-N 2.75Å; L204-L208 HydrophobicContact CD1-CD2 4.34Å; L204-L208 HydrophobicContact CD1-CG 4.15Å; L204-L208 HydrophobicContact CG-CD1 4.35Å; L204-L208 HydrophobicContact CG-CG 4.27Å; L204-L208 WeakPolarHBondContact O-CG 3.25Å; L204-L208 PolarHBondContact O-N 3.33Å; L204-A215 HydrophobicContact CD1-CB 3.53Å; L204-A215 HydrophobicContact CD2-CB 3.84Å; L204-A215 HydrophobicContact CG-CB 4.35Å; L204-V227 HydrophobicContact CD2-CG1 3.54Å; L204-M230 HydrophobicContact CB-CE 4.01Å; L204-M230 HydrophobicContact CD2-CE 3.7Å; L204-M230 HydrophobicContact CG-CE 3.82Å
205L98.6Very high98Very high23 Ų2323.8 Ų23.812%0.1215%0.149CC..Hα-helixtrans-56.9-33.7178.7-175.460.2000112.9Q203 L208 A209 M230 F234 A242 R243 Q246Q203-L205 VanDerWaalsContact C-N 3.31Å; Q203-L205 PolarHBondContact O-N 3.11Å; L205-L208 HydrophobicContact CD1-CD1 4.4Å; L205-A209 PolarHBondContact O-N 2.87Å; L205-A209 VanDerWaalsContact O-N 3.09Å; L205-M230 HydrophobicContact CB-SD 4.41Å; L205-F234 HydrophobicContact CD1-CB 4.2Å; L205-F234 HydrophobicContact CD1-CD2 3.56Å; L205-F234 HydrophobicContact CD1-CE2 4.28Å; L205-F234 HydrophobicContact CD1-CG 4.13Å; L205-A242 HydrophobicContact CD1-CB 3.92Å; L205-A242 HydrophobicContact CD2-CB 4.3Å; L205-R243 HydrophobicContact CD2-CB 4.31Å; L205-R243 HydrophobicContact CD2-CG 3.6Å; L205-Q246 HydrophobicContact CB-CB 4.22Å; L205-Q246 HydrophobicContact CB-CG 3.98Å; L205-Q246 HydrophobicContact CD2-CB 4.15Å
206A98.4Very high98.1Very high38 Ų3823.9 Ų23.931%0.31415%0.149SC..Hα-helixtrans-70.4-40.9174.100000111.4L180 Q203 L204 L208 A209 M210L180-A206 HydrophobicContact CD1-CB 3.86Å; Q203-A206 WeakPolarHBondContact O-CB 3.22Å; Q203-A206 PolarHBondContact O-N 3.06Å; Q203-A206 VanDerWaalsContact O-N 3.1Å; L204-A206 PolarHBondContact O-N 2.7Å; L204-A206 VanDerWaalsContact O-N 3.16Å; A206-L208 VanDerWaalsContact C-N 3.35Å; A206-L208 PolarHBondContact O-N 2.95Å; A206-A209 WeakPolarHBondContact O-CB 3.44Å; A206-A209 PolarHBondContact O-N 3.33Å; A206-M210 WeakPolarHBondContact O-CG 3.48Å; A206-M210 PolarHBondContact O-N 3.33Å
207G98.4Very high98.2Very high0 Ų023.9 Ų23.90%015%0.15CC..Hα-helixtrans-59.7-42.4172.300000112.7Q203 L204 A209 M210 G211 A212Q203-G207 PolarHBondContact O-N 2.86Å; L204-G207 CarbonylContact O-C 3.58Å; L204-G207 WeakPolarHBondContact O-CA 3.36Å; L204-G207 PolarHBondContact O-N 2.75Å; G207-A209 PolarHBondContact O-N 2.86Å; G207-M210 CarbonylContact O-C 3.47Å; G207-M210 PolarHBondContact O-N 2.84Å; G207-M210 VanDerWaalsContact O-N 3.11Å; G207-G211 PolarHBondContact O-N 3Å; G207-A212 VanDerWaalsContact O-CB 3.31Å; G207-A212 WeakPolarHBondContact O-CB 3.31Å; G207-A212 PolarHBondContact O-N 3.35Å
208L98.4Very high98.2Very high16 Ų1624.9 Ų24.98%0.08416%0.158CC..Hα-helixtrans-60-44.5174.4-65.2174.6000111.4L204 L205 A206 M210 G211 A212 M230 I231 F234L204-L208 HydrophobicContact CD1-CD2 4.34Å; L204-L208 HydrophobicContact CD1-CG 4.15Å; L204-L208 HydrophobicContact CG-CD1 4.35Å; L204-L208 HydrophobicContact CG-CG 4.27Å; L204-L208 WeakPolarHBondContact O-CG 3.25Å; L204-L208 PolarHBondContact O-N 3.33Å; L205-L208 HydrophobicContact CD1-CD1 4.4Å; A206-L208 VanDerWaalsContact C-N 3.35Å; A206-L208 PolarHBondContact O-N 2.95Å; L208-M210 PolarHBondContact O-N 2.86Å; L208-G211 PolarHBondContact O-N 2.73Å; L208-A212 HydrophobicContact CD2-CB 4.45Å; L208-M230 HydrophobicContact CD1-CE 4.37Å; L208-I231 HydrophobicContact CD1-CG1 3.88Å; L208-I231 HydrophobicContact CD2-CG1 4.45Å; L208-F234 HydrophobicContact CB-CD1 3.95Å; L208-F234 HydrophobicContact CB-CE1 3.79Å; L208-F234 HydrophobicContact CB-CE2 4.42Å; L208-F234 HydrophobicContact CB-CG 4.34Å; L208-F234 HydrophobicContact CB-CZ 4.04Å; L208-F234 HydrophobicContact CD1-CB 4.37Å; L208-F234 HydrophobicContact CD1-CD1 4.27Å; L208-F234 HydrophobicContact CD1-CG 4.29Å
209A98.3Very high98.2Very high71 Ų7125 Ų2559%0.58716%0.158SC*.Hα-helixtrans-61.7-29175.600000113.3L205 A206 G207 G211 F234L205-A209 PolarHBondContact O-N 2.87Å; L205-A209 VanDerWaalsContact O-N 3.09Å; A206-A209 WeakPolarHBondContact O-CB 3.44Å; A206-A209 PolarHBondContact O-N 3.33Å; G207-A209 PolarHBondContact O-N 2.86Å; A209-G211 VanDerWaalsContact C-N 3.3Å; A209-F234 HydrophobicContact CB-CE2 4.38Å; A209-F234 HydrophobicContact CB-CZ 4.47Å
210M98.4Very high98.2Very high79 Ų7924.4 Ų24.439%0.38915%0.151SC..THydrogen-bonded Turntrans-83.1-3174.2-64.7-57.4-65.500113.6L180 F183 V187 A206 G207 L208L180-M210 HydrophobicContact CD2-CG 4.2Å; F183-M210 HydrophobicContact CD1-CB 3.72Å; F183-M210 HydrophobicContact CD1-CG 4.45Å; F183-M210 HydrophobicContact CE1-CB 3.8Å; V187-M210 WeakPolarHBondContact CG1-O 3.28Å; A206-M210 WeakPolarHBondContact O-CG 3.48Å; A206-M210 PolarHBondContact O-N 3.33Å; G207-M210 CarbonylContact O-C 3.47Å; G207-M210 PolarHBondContact O-N 2.84Å; G207-M210 VanDerWaalsContact O-N 3.11Å; L208-M210 PolarHBondContact O-N 2.86Å
211G97.8Very high98.2Very high31 Ų3122.5 Ų22.532%0.3214%0.142SC..THydrogen-bonded Turntrans96.125.3175.800000115.4G207 L208 A209 N213G207-G211 PolarHBondContact O-N 3Å; L208-G211 PolarHBondContact O-N 2.73Å; A209-G211 VanDerWaalsContact C-N 3.3Å; G211-N213 PolarHBondContact O-N 3.42Å
212A98.1Very high98.3Very high14 Ų1422 Ų2212%0.11614%0.139CC..  trans-52.6136.1169.700000111.4F183 G207 L208 G214F183-A212 HydrophobicContact CE1-CB 4.16Å; F183-A212 HydrophobicContact CZ-CB 3.66Å; G207-A212 VanDerWaalsContact O-CB 3.31Å; G207-A212 WeakPolarHBondContact O-CB 3.31Å; G207-A212 PolarHBondContact O-N 3.35Å; L208-A212 HydrophobicContact CD2-CB 4.45Å; A212-G214 VanDerWaalsContact C-N 3.26Å
213N96.8Very high98.3Very high45 Ų4519.1 Ų19.124%0.24113%0.126CC..SBendtrans-81.1-11.3176.1-56.1122.8000112.9T10 G11 W194 S195 V196 G211T10-N213 VanDerWaalsContact CA-O 3.27Å; T10-N213 WeakPolarHBondContact CA-O 3.23Å; T10-N213 WeakPolarHBondContact CB-O 3.48Å; G11-N213 PolarHBondContact N-O 3.42Å; W194-N213 PolarHBondContact O-OD1 3.18Å; S195-N213 WeakPolarHBondContact CA-OD1 3.28Å; V196-N213 PolarHBondContact N-OD1 3.38Å; V196-N213 PolarHBondContact O-N 3.02Å; G211-N213 PolarHBondContact O-N 3.42Å
214G97Very high98.3Very high1 Ų116.7 Ų16.71%0.0112%0.115CC..EExtended strand (participates in β ladder)trans168.5-167.3-173.400000110.2G11 L197 Y198 A212G11-G214 CarbonylContact O-C 3.3Å; G11-G214 WeakPolarHBondContact O-CA 3.42Å; L197-G214 WeakPolarHBondContact CA-O 3.11Å; Y198-G214 PolarHBondContact N-O 3.43Å; A212-G214 VanDerWaalsContact C-N 3.26Å
215A98.4Very high98.3Very high0 Ų019 Ų190%013%0.13CC..EExtended strand (participates in β ladder)trans-143.7148.2-176.800000112.3G11 L12 V13 Y198 L204 Y220G11-A215 PolarHBondContact O-N 2.67Å; L12-A215 HydrophobicContact CD2-CB 4.08Å; V13-A215 WeakPolarHBondContact CB-O 2.89Å; V13-A215 PolarHBondContact N-O 2.98Å; Y198-A215 CarbonylContact O-C 3.57Å; Y198-A215 WeakPolarHBondContact O-CA 3.44Å; Y198-A215 WeakPolarHBondContact O-CB 3.49Å; L204-A215 HydrophobicContact CD1-CB 3.53Å; L204-A215 HydrophobicContact CD2-CB 3.84Å; L204-A215 HydrophobicContact CG-CB 4.35Å; A215-Y220 HydrophobicContact CB-CE2 3.65Å; A215-Y220 WeakPolarHBondContact CB-OH 3.41Å
216V98.9Very high98.3Very high2 Ų220.6 Ų20.61%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-125.1111.7172.5-176.40000109.5V13 A15 F48 K174 L197 Y198 G199V13-V216 HydrophobicContact CB-CB 4.28Å; V13-V216 HydrophobicContact CB-CG1 4.34Å; V13-V216 HydrophobicContact CB-CG2 3.73Å; V13-V216 HydrophobicContact CG1-CG1 4.4Å; V13-V216 HydrophobicContact CG1-CG2 4.19Å; V13-V216 HydrophobicContact CG2-CG2 4.02Å; V13-V216 VanDerWaalsContact O-CA 3.31Å; V13-V216 WeakPolarHBondContact O-CA 3.29Å; A15-V216 HydrophobicContact CB-CG1 4.33Å; F48-V216 HydrophobicContact CB-CG1 3.58Å; F48-V216 HydrophobicContact CD1-CG1 4.17Å; F48-V216 HydrophobicContact CD2-CG1 4.15Å; F48-V216 HydrophobicContact CG-CG1 3.73Å; K174-V216 HydrophobicContact CD-CB 3.74Å; K174-V216 HydrophobicContact CD-CG1 3.64Å; K174-V216 HydrophobicContact CD-CG2 4.24Å; K174-V216 HydrophobicContact CG-CB 3.97Å; K174-V216 HydrophobicContact CG-CG1 4.43Å; K174-V216 HydrophobicContact CG-CG2 4.24Å; L197-V216 HydrophobicContact CB-CG2 3.8Å; L197-V216 HydrophobicContact CD1-CG2 3.52Å; L197-V216 HydrophobicContact CG-CG2 4.25Å; Y198-V216 PolarHBondContact O-N 3.43Å; G199-V216 WeakPolarHBondContact CA-O 3.49Å
217G98.6Very high98.3Very high3 Ų319 Ų193%0.03112%0.121CC..EExtended strand (participates in β ladder)trans-150.3156.5-164.300000113.4V13 A15 D201V13-G217 PolarHBondContact O-N 2.89Å; A15-G217 PolarHBondContact N-O 2.93Å; D201-G217 WeakPolarHBondContact OD1-CA 3.49Å; D201-G217 WeakPolarHBondContact OD2-CA 3.45Å
218S98.7Very high98.3Very high23 Ų2322.5 Ų22.516%0.16114%0.14CC..SBendtrans-80.4-31.2-179.766.70000112.1T53 D201 Y220 N221 N266T53-S218 WeakPolarHBondContact OG1-CB 3.41Å; D201-S218 PolarHBondContact OD2-N 3.34Å; D201-S218 VanDerWaalsContact OD2-N 3.1Å; S218-Y220 PolarHBondContact O-N 2.81Å; S218-N221 WeakPolarHBondContact O-CB 3.49Å; S218-N221 PolarHBondContact O-N 3.39Å; S218-N221 PolarHBondContact O-ND2 2.85Å; S218-N266 WeakPolarHBondContact CB-ND2 3.18Å; S218-N266 PolarHBondContact OG-ND2 3.26Å
219T98.7Very high98.3Very high2 Ų225.4 Ų25.41%0.01215%0.153CC..THydrogen-bonded Turntrans-71.2-23.1-175.4600000112.6D201 N221 Y222 M223 L253D201-T219 HydrophobicContact CB-CG2 3.95Å; D201-T219 WeakPolarHBondContact CB-OG1 3.16Å; D201-T219 VanDerWaalsContact OD2-CB 3.29Å; D201-T219 WeakPolarHBondContact OD2-CB 3.41Å; D201-T219 VanDerWaalsContact OD2-CG2 3.26Å; D201-T219 WeakPolarHBondContact OD2-CG2 2.94Å; D201-T219 PolarHBondContact OD2-N 3.08Å; D201-T219 PolarHBondContact OD2-OG1 3.29Å; T219-N221 PolarHBondContact O-N 3.34Å; T219-Y222 PolarHBondContact O-N 3.35Å; T219-M223 HydrophobicContact CG2-CE 3.53Å; T219-M223 PolarHBondContact O-N 2.82Å; T219-L253 HydrophobicContact CG2-CD1 4.16Å; T219-L253 HydrophobicContact CG2-CD2 3.86Å
220Y98.7Very high98.3Very high1 Ų122.1 Ų22.10%0.00413%0.126CC..Hα-helixtrans-67.3-13-178.6-43.3-25.5000112.4L12 V13 D201 A215 S218 Y222 G224 V227L12-Y220 HydrophobicContact CB-CD2 4.31Å; L12-Y220 HydrophobicContact CD2-CD1 4.18Å; L12-Y220 HydrophobicContact CD2-CD2 3.87Å; L12-Y220 HydrophobicContact CD2-CE1 4.19Å; L12-Y220 HydrophobicContact CD2-CE2 3.8Å; L12-Y220 HydrophobicContact CD2-CG 4.09Å; V13-Y220 WeakPolarHBondContact O-CD2 3.44Å; D201-Y220 HydrophobicContact CB-CE1 4.19Å; D201-Y220 PolarHBondContact OD1-OH 2.71Å; A215-Y220 HydrophobicContact CB-CE2 3.65Å; A215-Y220 WeakPolarHBondContact CB-OH 3.41Å; S218-Y220 PolarHBondContact O-N 2.81Å; Y220-Y222 PolarHBondContact O-N 2.89Å; Y220-G224 WeakPolarHBondContact O-CA 3.35Å; Y220-G224 PolarHBondContact O-N 2.92Å; Y220-V227 HydrophobicContact CD1-CB 4.38Å; Y220-V227 HydrophobicContact CD1-CG1 4.25Å; Y220-V227 HydrophobicContact CD1-CG2 4.05Å; Y220-V227 HydrophobicContact CE1-CG1 4.1Å; Y220-V227 HydrophobicContact CE1-CG2 4.28Å
221N98.9Very high98.3Very high0 Ų018.9 Ų18.90%011%0.11CC..Hα-helixtrans-64.8-28170.4-67.6-79.8000112.7A15 F17 Y34 Y37 L38 Q42 S218 T219 M270A15-N221 PolarHBondContact O-ND2 2.93Å; F17-N221 HydrophobicContact CD2-CB 4.46Å; F17-N221 HydrophobicContact CE2-CB 4.22Å; Y34-N221 PolarHBondContact OH-OD1 2.7Å; Y37-N221 WeakPolarHBondContact CE1-O 3.4Å; L38-N221 HydrophobicContact CD2-CB 4.33Å; Q42-N221 WeakPolarHBondContact CG-O 3.4Å; S218-N221 WeakPolarHBondContact O-CB 3.49Å; S218-N221 PolarHBondContact O-N 3.39Å; S218-N221 PolarHBondContact O-ND2 2.85Å; T219-N221 PolarHBondContact O-N 3.34Å; N221-M270 HydrophobicContact CB-CE 4.11Å; N221-M270 HydrophobicContact CB-CG 4.28Å; N221-M270 HydrophobicContact CB-SD 3.58Å; N221-M270 VanDerWaalsContact CB-SD 3.58Å; N221-M270 VanDerWaalsContact O-SD 3.33Å
222Y98.7Very high98.3Very high0 Ų019.8 Ų19.80%011%0.111CC..Hα-helixtrans-134.7-11-177.654.9-91.1000114.3Q42 T219 Y220 N266 L269 M270 Y300Q42-Y222 PolarHBondContact NE2-O 2.85Å; Q42-Y222 PolarHBondContact OE1-O 3Å; T219-Y222 PolarHBondContact O-N 3.35Å; Y220-Y222 PolarHBondContact O-N 2.89Å; Y222-N266 VanDerWaalsContact CE1-OD1 3.24Å; Y222-N266 WeakPolarHBondContact CE1-OD1 3.44Å; Y222-N266 PolarHBondContact OH-OD1 2.99Å; Y222-L269 HydrophobicContact CE2-CD2 3.86Å; Y222-L269 HydrophobicContact CE2-CG 4.31Å; Y222-M270 HydrophobicContact CD1-CB 3.87Å; Y222-M270 HydrophobicContact CD1-CG 4.42Å; Y222-M270 HydrophobicContact CD1-SD 3.94Å; Y222-M270 HydrophobicContact CE1-CB 4.39Å; Y222-M270 HydrophobicContact CG-SD 4.36Å; Y222-Y300 HydrophobicContact CD2-CD2 4.31Å; Y222-Y300 AromaticContact CD2-CE2 3.9Å; Y222-Y300 HydrophobicContact CD2-CE2 3.9Å; Y222-Y300 PolarHBondContact O-OH 2.72Å
223M98.5Very high98.3Very high0 Ų019.3 Ų19.30%011%0.108CC..Hα-helixtrans-117.113.6173.8-65.8-170.1-67.200112.9T219 C225 Y226 V227 I249 L252 Y300 F304T219-M223 HydrophobicContact CG2-CE 3.53Å; T219-M223 PolarHBondContact O-N 2.82Å; M223-C225 VanDerWaalsContact C-N 3.34Å; M223-C225 PolarHBondContact O-N 2.78Å; M223-Y226 HydrophobicContact CB-CD2 4.42Å; M223-Y226 PolarHBondContact O-N 3.21Å; M223-V227 HydrophobicContact CB-CG2 4.38Å; M223-V227 VanDerWaalsContact O-CG2 3.27Å; M223-V227 WeakPolarHBondContact O-CG2 3.49Å; M223-V227 PolarHBondContact O-N 3.33Å; M223-I249 HydrophobicContact CE-CG2 4.06Å; M223-I249 HydrophobicContact SD-CG1 4.38Å; M223-L252 HydrophobicContact CE-CD2 4.15Å; M223-L252 HydrophobicContact SD-CD2 3.69Å; M223-Y300 HydrophobicContact CG-CE2 3.8Å; M223-Y300 HydrophobicContact SD-CE2 4.39Å; M223-F304 HydrophobicContact CG-CE2 4.35Å; M223-F304 HydrophobicContact CG-CZ 4.41Å; M223-F304 HydrophobicContact SD-CD2 4.46Å; M223-F304 HydrophobicContact SD-CE2 3.48Å; M223-F304 WeakPolarHBondContact SD-CE2 3.48Å; M223-F304 HydrophobicContact SD-CZ 3.52Å; M223-F304 VanDerWaalsContact SD-CZ 3.52Å
224G98.4Very high98.4Very high0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-55-45.1-17400000113.3L12 Q42 Y220 Y226 V227 D228L12-G224 WeakPolarHBondContact CD1-O 3.21Å; Q42-G224 CarbonylContact O-C 3.48Å; Q42-G224 VanDerWaalsContact O-C 3.3Å; Y220-G224 WeakPolarHBondContact O-CA 3.35Å; Y220-G224 PolarHBondContact O-N 2.92Å; G224-Y226 PolarHBondContact O-N 2.87Å; G224-V227 PolarHBondContact O-N 2.81Å; G224-D228 WeakPolarHBondContact O-CB 3.28Å; G224-D228 PolarHBondContact O-N 2.8Å
225C98.1Very high98.4Very high50 Ų5026.5 Ų26.534%0.33814%0.139SC..Hα-helixtrans-63.6-39.7-179.856.60000113.1Q42 M223 D228 E229Q42-C225 PolarHBondContact O-N 2.79Å; M223-C225 VanDerWaalsContact C-N 3.34Å; M223-C225 PolarHBondContact O-N 2.78Å; C225-D228 PolarHBondContact O-N 3.28Å; C225-E229 PolarHBondContact O-N 3.27Å
226Y98.4Very high98.4Very high57 Ų5731.6 Ų31.622%0.22417%0.17CC..Hα-helixtrans-69.9-39.4176-55.9-69.4000111.6M223 G224 D228 E229 M230 I245 F304M223-Y226 HydrophobicContact CB-CD2 4.42Å; M223-Y226 PolarHBondContact O-N 3.21Å; G224-Y226 PolarHBondContact O-N 2.87Å; Y226-D228 VanDerWaalsContact C-N 3.33Å; Y226-E229 WeakPolarHBondContact O-CB 3.4Å; Y226-E229 PolarHBondContact O-N 3.44Å; Y226-M230 PolarHBondContact O-N 3.13Å; Y226-I245 WeakPolarHBondContact O-CG2 3.46Å; Y226-F304 AromaticContact CD1-CD1 3.83Å; Y226-F304 HydrophobicContact CD1-CD1 3.83Å; Y226-F304 HydrophobicContact CD1-CE1 4.29Å; Y226-F304 AromaticContact CD2-CD1 3.53Å; Y226-F304 HydrophobicContact CD2-CD1 3.53Å; Y226-F304 AromaticContact CD2-CE1 3.84Å; Y226-F304 HydrophobicContact CD2-CE1 3.84Å; Y226-F304 HydrophobicContact CD2-CG 4.16Å; Y226-F304 HydrophobicContact CE1-CB 4.37Å; Y226-F304 AromaticContact CE1-CD1 3.82Å; Y226-F304 HydrophobicContact CE1-CD1 3.82Å; Y226-F304 HydrophobicContact CE2-CB 3.84Å; Y226-F304 AromaticContact CE2-CD1 3.56Å; Y226-F304 HydrophobicContact CE2-CD1 3.56Å; Y226-F304 HydrophobicContact CE2-CE1 4.32Å; Y226-F304 AromaticContact CE2-CG 3.81Å; Y226-F304 HydrophobicContact CE2-CG 3.81Å; Y226-F304 AromaticContact CG-CD1 3.68Å; Y226-F304 HydrophobicContact CG-CD1 3.68Å; Y226-F304 AromaticContact CG-CE1 3.83Å; Y226-F304 HydrophobicContact CG-CE1 3.83Å; Y226-F304 AromaticContact CZ-CD1 3.71Å; Y226-F304 PolarHBondContact OH-O 3.4Å
227V98.4Very high98.4Very high3 Ų340.1 Ų40.12%0.01821%0.207CC..Hα-helixtrans-67.7-36.5177.6-177.40000110.8L12 L204 Y220 M223 G224 M230 I231 I249L12-V227 HydrophobicContact CD1-CB 3.84Å; L12-V227 HydrophobicContact CD1-CG1 3.86Å; L12-V227 HydrophobicContact CD2-CB 4.41Å; L12-V227 HydrophobicContact CD2-CG1 3.57Å; L12-V227 HydrophobicContact CG-CG1 4.32Å; L204-V227 HydrophobicContact CD2-CG1 3.54Å; Y220-V227 HydrophobicContact CD1-CB 4.38Å; Y220-V227 HydrophobicContact CD1-CG1 4.25Å; Y220-V227 HydrophobicContact CD1-CG2 4.05Å; Y220-V227 HydrophobicContact CE1-CG1 4.1Å; Y220-V227 HydrophobicContact CE1-CG2 4.28Å; M223-V227 HydrophobicContact CB-CG2 4.38Å; M223-V227 VanDerWaalsContact O-CG2 3.27Å; M223-V227 WeakPolarHBondContact O-CG2 3.49Å; M223-V227 PolarHBondContact O-N 3.33Å; G224-V227 PolarHBondContact O-N 2.81Å; V227-M230 HydrophobicContact CG1-CE 4.11Å; V227-M230 WeakPolarHBondContact O-CB 3.29Å; V227-M230 PolarHBondContact O-N 3.04Å; V227-I231 HydrophobicContact CG1-CD1 4.35Å; V227-I231 WeakPolarHBondContact O-CG1 3.22Å; V227-I231 PolarHBondContact O-N 3.29Å; V227-I249 HydrophobicContact CG2-CD1 3.68Å
228D98Very high98.4Very high75 Ų7543.2 Ų43.240%0.40122%0.223SC..Hα-helixtrans-64.5-40.3173.8-169.565.5000111.7L12 G224 C225 Y226 M230 I231 S232L12-D228 HydrophobicContact CD1-CB 4.13Å; G224-D228 WeakPolarHBondContact O-CB 3.28Å; G224-D228 PolarHBondContact O-N 2.8Å; C225-D228 PolarHBondContact O-N 3.28Å; Y226-D228 VanDerWaalsContact C-N 3.33Å; D228-M230 VanDerWaalsContact C-N 3.31Å; D228-M230 PolarHBondContact O-N 3.36Å; D228-I231 PolarHBondContact O-N 2.81Å; D228-S232 WeakPolarHBondContact O-CB 3.5Å; D228-S232 PolarHBondContact O-N 2.9Å; D228-S232 PolarHBondContact O-OG 3.5Å
229E98.3Very high98.4Very high77 Ų7745.7 Ų45.736%0.3623%0.234SC..Hα-helixtrans-61.7-38.8172.1-173.2-177.6-16700111.9C225 Y226 S232 A233 K241 I245C225-E229 PolarHBondContact O-N 3.27Å; Y226-E229 WeakPolarHBondContact O-CB 3.4Å; Y226-E229 PolarHBondContact O-N 3.44Å; E229-S232 PolarHBondContact O-N 3.34Å; E229-A233 WeakPolarHBondContact O-CB 3.25Å; E229-A233 PolarHBondContact O-N 3.42Å; E229-K241 WeakPolarHBondContact OE1-CE 3.32Å; E229-K241 IonicContact OE1-NZ 3.42Å; E229-K241 PolarHBondContact OE1-NZ 2.94Å; E229-I245 HydrophobicContact CB-CD1 4.05Å; E229-I245 HydrophobicContact CG-CD1 3.69Å
230M98.6Very high98.4Very high1 Ų150.6 Ų50.61%0.00526%0.264CS..Hα-helixtrans-64.1-45175-176.4-172.873.500112.1L204 L205 L208 Y226 V227 D228 A233 F234 A242 I245 Q246 I249L204-M230 HydrophobicContact CB-CE 4.01Å; L204-M230 HydrophobicContact CD2-CE 3.7Å; L204-M230 HydrophobicContact CG-CE 3.82Å; L205-M230 HydrophobicContact CB-SD 4.41Å; L208-M230 HydrophobicContact CD1-CE 4.37Å; Y226-M230 PolarHBondContact O-N 3.13Å; V227-M230 HydrophobicContact CG1-CE 4.11Å; V227-M230 WeakPolarHBondContact O-CB 3.29Å; V227-M230 PolarHBondContact O-N 3.04Å; D228-M230 VanDerWaalsContact C-N 3.31Å; D228-M230 PolarHBondContact O-N 3.36Å; M230-A233 PolarHBondContact O-N 3.31Å; M230-F234 PolarHBondContact O-N 3.11Å; M230-A242 HydrophobicContact CG-CB 4.29Å; M230-A242 WeakPolarHBondContact CG-O 3.36Å; M230-I245 HydrophobicContact CB-CB 3.99Å; M230-I245 HydrophobicContact CB-CD1 4.25Å; M230-I245 HydrophobicContact CB-CG2 3.79Å; M230-I245 HydrophobicContact CG-CB 4.25Å; M230-I245 HydrophobicContact CG-CG2 4.39Å; M230-Q246 HydrophobicContact SD-CB 3.66Å; M230-Q246 HydrophobicContact SD-CG 4.36Å; M230-I249 HydrophobicContact SD-CD1 4.37Å
231I98.2Very high98.4Very high12 Ų1254.4 Ų54.46%0.06228%0.28CS..Hα-helixtrans-62.1-48.2176.7-70.2167.8000109.6L12 L208 V227 D228 A233 F234 E235L12-I231 HydrophobicContact CD1-CD1 4.39Å; L12-I231 HydrophobicContact CD2-CD1 3.64Å; L12-I231 HydrophobicContact CG-CD1 3.81Å; L208-I231 HydrophobicContact CD1-CG1 3.88Å; L208-I231 HydrophobicContact CD2-CG1 4.45Å; V227-I231 HydrophobicContact CG1-CD1 4.35Å; V227-I231 WeakPolarHBondContact O-CG1 3.22Å; V227-I231 PolarHBondContact O-N 3.29Å; D228-I231 PolarHBondContact O-N 2.81Å; I231-A233 VanDerWaalsContact C-N 3.32Å; I231-A233 PolarHBondContact O-N 2.99Å; I231-F234 WeakPolarHBondContact O-CB 3.44Å; I231-F234 PolarHBondContact O-N 3.26Å; I231-F234 VanDerWaalsContact O-N 3.08Å; I231-E235 HydrophobicContact CG2-CG 4.34Å; I231-E235 WeakPolarHBondContact O-CG 3.33Å; I231-E235 PolarHBondContact O-N 2.91Å
232S98.2Very high98.4Very high49 Ų4954.4 Ų54.434%0.34328%0.28SS..Hα-helixtrans-56.4-45.7176.9-64.40000111.8D228 E229 F234 E235 T236D228-S232 WeakPolarHBondContact O-CB 3.5Å; D228-S232 PolarHBondContact O-N 2.9Å; D228-S232 PolarHBondContact O-OG 3.5Å; E229-S232 PolarHBondContact O-N 3.34Å; S232-F234 VanDerWaalsContact C-N 3.33Å; S232-F234 PolarHBondContact O-N 3.05Å; S232-E235 PolarHBondContact O-N 2.89Å; S232-T236 WeakPolarHBondContact O-CG2 3.15Å; S232-T236 PolarHBondContact O-N 3.36Å; S232-T236 PolarHBondContact O-OG1 2.94Å; S232-T236 VanDerWaalsContact O-OG1 3.14Å
233A98.6Very high98.4Very high5 Ų560.6 Ų60.64%0.04130%0.304CS..Hα-helixtrans-61.8-40.1176.700000112.2E229 M230 I231 T236 K237 D238 K241 A242E229-A233 WeakPolarHBondContact O-CB 3.25Å; E229-A233 PolarHBondContact O-N 3.42Å; M230-A233 PolarHBondContact O-N 3.31Å; I231-A233 VanDerWaalsContact C-N 3.32Å; I231-A233 PolarHBondContact O-N 2.99Å; A233-T236 PolarHBondContact O-OG1 2.8Å; A233-K237 PolarHBondContact O-N 3.5Å; A233-D238 HydrophobicContact CB-CB 4.37Å; A233-D238 CarbonylContact O-C 3.58Å; A233-D238 WeakPolarHBondContact O-CA 3.37Å; A233-D238 PolarHBondContact O-N 3.02Å; A233-K241 HydrophobicContact CB-CB 4.06Å; A233-K241 HydrophobicContact CB-CD 4Å; A233-K241 HydrophobicContact CB-CG 3.96Å; A233-A242 HydrophobicContact CB-CB 4.05Å
234F98.4Very high98.4Very high55 Ų5564.1 Ų64.124%0.24133%0.325CS..Hα-helixtrans-63.5-45.9174.9177.9-97.8000111.8L205 L208 A209 M230 I231 S232 T236 K237 L239 A242L205-F234 HydrophobicContact CD1-CB 4.2Å; L205-F234 HydrophobicContact CD1-CD2 3.56Å; L205-F234 HydrophobicContact CD1-CE2 4.28Å; L205-F234 HydrophobicContact CD1-CG 4.13Å; L208-F234 HydrophobicContact CB-CD1 3.95Å; L208-F234 HydrophobicContact CB-CE1 3.79Å; L208-F234 HydrophobicContact CB-CE2 4.42Å; L208-F234 HydrophobicContact CB-CG 4.34Å; L208-F234 HydrophobicContact CB-CZ 4.04Å; L208-F234 HydrophobicContact CD1-CB 4.37Å; L208-F234 HydrophobicContact CD1-CD1 4.27Å; L208-F234 HydrophobicContact CD1-CG 4.29Å; A209-F234 HydrophobicContact CB-CE2 4.38Å; A209-F234 HydrophobicContact CB-CZ 4.47Å; M230-F234 PolarHBondContact O-N 3.11Å; I231-F234 WeakPolarHBondContact O-CB 3.44Å; I231-F234 PolarHBondContact O-N 3.26Å; I231-F234 VanDerWaalsContact O-N 3.08Å; S232-F234 VanDerWaalsContact C-N 3.33Å; S232-F234 PolarHBondContact O-N 3.05Å; F234-T236 VanDerWaalsContact C-N 3.33Å; F234-T236 PolarHBondContact O-N 3.43Å; F234-K237 WeakPolarHBondContact O-CA 3.29Å; F234-K237 PolarHBondContact O-N 2.62Å; F234-L239 HydrophobicContact CD2-CD2 3.68Å; F234-L239 HydrophobicContact CE2-CD2 4.05Å; F234-A242 HydrophobicContact CB-CB 4.23Å
235E97.5Very high98.4Very high141 Ų14164.7 Ų64.766%0.65933%0.328SS*.Hα-helixtrans-62.3-38.4178.4-71179.4169.900112.4I231 S232 K237I231-E235 HydrophobicContact CG2-CG 4.34Å; I231-E235 WeakPolarHBondContact O-CG 3.33Å; I231-E235 PolarHBondContact O-N 2.91Å; S232-E235 PolarHBondContact O-N 2.89Å; E235-K237 PolarHBondContact O-N 2.8Å
236T98.2Very high98.5Very high107 Ų10762.5 Ų62.566%0.65631%0.313SS*.THydrogen-bonded Turntrans-837.9174.864.20000113.7S232 A233 F234 D238S232-T236 WeakPolarHBondContact O-CG2 3.15Å; S232-T236 PolarHBondContact O-N 3.36Å; S232-T236 PolarHBondContact O-OG1 2.94Å; S232-T236 VanDerWaalsContact O-OG1 3.14Å; A233-T236 PolarHBondContact O-OG1 2.8Å; F234-T236 VanDerWaalsContact C-N 3.33Å; F234-T236 PolarHBondContact O-N 3.43Å; T236-D238 PolarHBondContact O-N 3.1Å
237K98.3Very high98.5Very high181 Ų18165.4 Ų65.479%0.78733%0.327SS*.THydrogen-bonded Turntrans63.718.6179.1-52176.3-178.7175.80115.1A233 F234 E235 L239A233-K237 PolarHBondContact O-N 3.5Å; F234-K237 WeakPolarHBondContact O-CA 3.29Å; F234-K237 PolarHBondContact O-N 2.62Å; E235-K237 PolarHBondContact O-N 2.8Å; K237-L239 PolarHBondContact O-N 3.32Å
238D98.6Very high98.5Very high68 Ų6869.4 Ų69.436%0.36434%0.344SS..  trans-81.973.2167.7-170.9-11000109.9A233 T236 V240 K241 A242A233-D238 HydrophobicContact CB-CB 4.37Å; A233-D238 CarbonylContact O-C 3.58Å; A233-D238 WeakPolarHBondContact O-CA 3.37Å; A233-D238 PolarHBondContact O-N 3.02Å; T236-D238 PolarHBondContact O-N 3.1Å; D238-V240 PolarHBondContact O-N 2.91Å; D238-V240 PolarHBondContact OD1-N 3.48Å; D238-K241 HydrophobicContact CB-CB 4.23Å; D238-K241 PolarHBondContact O-N 3.25Å; D238-K241 WeakPolarHBondContact OD1-CB 3.48Å; D238-K241 PolarHBondContact OD1-N 2.77Å; D238-K241 VanDerWaalsContact OD2-CB 3.29Å; D238-K241 WeakPolarHBondContact OD2-CB 3.3Å; D238-A242 PolarHBondContact O-N 2.91Å
239L98.5Very high98.5Very high76 Ų7665.9 Ų65.940%0.39833%0.325SS..Hα-helixtrans-67.5-21.7-177.7-61.6-178.4000113F234 K237 R243F234-L239 HydrophobicContact CD2-CD2 3.68Å; F234-L239 HydrophobicContact CE2-CD2 4.05Å; K237-L239 PolarHBondContact O-N 3.32Å; L239-R243 WeakPolarHBondContact O-CB 3.44Å; L239-R243 WeakPolarHBondContact O-CD 3.44Å; L239-R243 WeakPolarHBondContact O-CG 3.29Å; L239-R243 PolarHBondContact O-N 2.77Å; L239-R243 VanDerWaalsContact O-N 3.12Å
240V98.7Very high98.5Very high105 Ų10564.9 Ų64.964%0.63632%0.32SS*.Hα-helixtrans-69.1-53175.5175.30000108.6D238 A242 R243 T244D238-V240 PolarHBondContact O-N 2.91Å; D238-V240 PolarHBondContact OD1-N 3.48Å; V240-A242 PolarHBondContact O-N 2.96Å; V240-R243 PolarHBondContact O-N 3.19Å; V240-T244 PolarHBondContact O-N 3Å; V240-T244 PolarHBondContact O-OG1 3.26Å; V240-T244 VanDerWaalsContact O-OG1 3.1Å
241K98.8Very high98.5Very high80 Ų8069.4 Ų69.435%0.34834%0.342SS..Hα-helixtrans-60.3-45.5177.3-177.3176.7179.4-178.10112.2E229 A233 D238 R243 T244 I245E229-K241 WeakPolarHBondContact OE1-CE 3.32Å; E229-K241 IonicContact OE1-NZ 3.42Å; E229-K241 PolarHBondContact OE1-NZ 2.94Å; A233-K241 HydrophobicContact CB-CB 4.06Å; A233-K241 HydrophobicContact CB-CD 4Å; A233-K241 HydrophobicContact CB-CG 3.96Å; D238-K241 HydrophobicContact CB-CB 4.23Å; D238-K241 PolarHBondContact O-N 3.25Å; D238-K241 WeakPolarHBondContact OD1-CB 3.48Å; D238-K241 PolarHBondContact OD1-N 2.77Å; D238-K241 VanDerWaalsContact OD2-CB 3.29Å; D238-K241 WeakPolarHBondContact OD2-CB 3.3Å; K241-R243 VanDerWaalsContact C-N 3.3Å; K241-R243 PolarHBondContact O-N 2.94Å; K241-T244 WeakPolarHBondContact O-CB 3.29Å; K241-T244 PolarHBondContact O-N 3.16Å; K241-T244 VanDerWaalsContact O-N 3.16Å; K241-I245 HydrophobicContact CG-CD1 4.08Å; K241-I245 WeakPolarHBondContact O-CG1 3.29Å; K241-I245 PolarHBondContact O-N 3.17Å
242A98.8Very high98.6Very high0 Ų068.9 Ų68.90%034%0.339CS..Hα-helixtrans-57.2-43.8177.700000111.8L205 M230 A233 F234 D238 V240 I245 Q246L205-A242 HydrophobicContact CD1-CB 3.92Å; L205-A242 HydrophobicContact CD2-CB 4.3Å; M230-A242 HydrophobicContact CG-CB 4.29Å; M230-A242 WeakPolarHBondContact CG-O 3.36Å; A233-A242 HydrophobicContact CB-CB 4.05Å; F234-A242 HydrophobicContact CB-CB 4.23Å; D238-A242 PolarHBondContact O-N 2.91Å; V240-A242 PolarHBondContact O-N 2.96Å; A242-I245 PolarHBondContact O-N 3.36Å; A242-Q246 PolarHBondContact O-N 3.13Å
243R98.8Very high98.5Very high131 Ų13167 Ų6749%0.49433%0.325SS..Hα-helixtrans-66-43.2175.5-75173.8-174151.72.3112.4L205 L239 V240 K241 I245 Q246 F247L205-R243 HydrophobicContact CD2-CB 4.31Å; L205-R243 HydrophobicContact CD2-CG 3.6Å; L239-R243 WeakPolarHBondContact O-CB 3.44Å; L239-R243 WeakPolarHBondContact O-CD 3.44Å; L239-R243 WeakPolarHBondContact O-CG 3.29Å; L239-R243 PolarHBondContact O-N 2.77Å; L239-R243 VanDerWaalsContact O-N 3.12Å; V240-R243 PolarHBondContact O-N 3.19Å; K241-R243 VanDerWaalsContact C-N 3.3Å; K241-R243 PolarHBondContact O-N 2.94Å; R243-I245 VanDerWaalsContact C-N 3.27Å; R243-I245 PolarHBondContact O-N 2.9Å; R243-Q246 PolarHBondContact O-N 2.94Å; R243-F247 HydrophobicContact CB-CD2 4.43Å; R243-F247 HydrophobicContact CB-CE2 3.97Å; R243-F247 HydrophobicContact CB-CZ 4.24Å; R243-F247 WeakPolarHBondContact O-CB 3.41Å; R243-F247 VanDerWaalsContact O-CD2 3.24Å; R243-F247 WeakPolarHBondContact O-CD2 3.35Å; R243-F247 WeakPolarHBondContact O-CG 3.47Å; R243-F247 PolarHBondContact O-N 2.64Å
244T98.8Very high98.5Very high73 Ų7370.8 Ų70.845%0.44834%0.344SS..Hα-helixtrans-55.7-44.9178-64.10000111.2V240 K241 F247 K248V240-T244 PolarHBondContact O-N 3Å; V240-T244 PolarHBondContact O-OG1 3.26Å; V240-T244 VanDerWaalsContact O-OG1 3.1Å; K241-T244 WeakPolarHBondContact O-CB 3.29Å; K241-T244 PolarHBondContact O-N 3.16Å; K241-T244 VanDerWaalsContact O-N 3.16Å; T244-F247 PolarHBondContact O-N 2.82Å; T244-K248 PolarHBondContact O-N 2.78Å; T244-K248 VanDerWaalsContact O-N 3.14Å
245I98.7Very high98.5Very high13 Ų1371.7 Ų71.77%0.06735%0.347CS..Hα-helixtrans-69.3-44.4177.9-60.2165.6000111.3Y226 E229 M230 K241 A242 R243 F247 K248 I249Y226-I245 WeakPolarHBondContact O-CG2 3.46Å; E229-I245 HydrophobicContact CB-CD1 4.05Å; E229-I245 HydrophobicContact CG-CD1 3.69Å; M230-I245 HydrophobicContact CB-CB 3.99Å; M230-I245 HydrophobicContact CB-CD1 4.25Å; M230-I245 HydrophobicContact CB-CG2 3.79Å; M230-I245 HydrophobicContact CG-CB 4.25Å; M230-I245 HydrophobicContact CG-CG2 4.39Å; K241-I245 HydrophobicContact CG-CD1 4.08Å; K241-I245 WeakPolarHBondContact O-CG1 3.29Å; K241-I245 PolarHBondContact O-N 3.17Å; A242-I245 PolarHBondContact O-N 3.36Å; R243-I245 VanDerWaalsContact C-N 3.27Å; R243-I245 PolarHBondContact O-N 2.9Å; I245-F247 PolarHBondContact O-N 3.06Å; I245-K248 WeakPolarHBondContact O-CB 3.42Å; I245-K248 PolarHBondContact O-N 2.9Å; I245-K248 VanDerWaalsContact O-N 3.13Å; I245-I249 HydrophobicContact CG2-CD1 4.06Å; I245-I249 PolarHBondContact O-N 3.05Å; I245-I249 VanDerWaalsContact O-N 3.07Å
246Q98.9Very high98.5Very high4 Ų465 Ų652%0.01932%0.316CS..Hα-helixtrans-56-40175.3-175.865.682.600111.9D201 E202 L205 M230 A242 R243 I249 Q250D201-Q246 PolarHBondContact O-NE2 2.85Å; E202-Q246 PolarHBondContact O-NE2 3.45Å; L205-Q246 HydrophobicContact CB-CB 4.22Å; L205-Q246 HydrophobicContact CB-CG 3.98Å; L205-Q246 HydrophobicContact CD2-CB 4.15Å; M230-Q246 HydrophobicContact SD-CB 3.66Å; M230-Q246 HydrophobicContact SD-CG 4.36Å; A242-Q246 PolarHBondContact O-N 3.13Å; R243-Q246 PolarHBondContact O-N 2.94Å; Q246-I249 PolarHBondContact O-N 2.79Å; Q246-Q250 WeakPolarHBondContact O-CB 3.41Å; Q246-Q250 VanDerWaalsContact O-CG 3.31Å; Q246-Q250 WeakPolarHBondContact O-CG 3.41Å; Q246-Q250 PolarHBondContact O-N 3.44Å
247F98.8Very high98.4Very high118 Ų11864.2 Ų64.252%0.51831%0.307SS..Hα-helixtrans-68.7-36.8178.6-64.7-28.7000112.8R243 T244 I245 Q250 E251R243-F247 HydrophobicContact CB-CD2 4.43Å; R243-F247 HydrophobicContact CB-CE2 3.97Å; R243-F247 HydrophobicContact CB-CZ 4.24Å; R243-F247 WeakPolarHBondContact O-CB 3.41Å; R243-F247 VanDerWaalsContact O-CD2 3.24Å; R243-F247 WeakPolarHBondContact O-CD2 3.35Å; R243-F247 WeakPolarHBondContact O-CG 3.47Å; R243-F247 PolarHBondContact O-N 2.64Å; T244-F247 PolarHBondContact O-N 2.82Å; I245-F247 PolarHBondContact O-N 3.06Å; F247-Q250 PolarHBondContact O-N 3.04Å; F247-E251 WeakPolarHBondContact O-CB 3.45Å; F247-E251 PolarHBondContact O-N 3.11Å
248K98.7Very high98.4Very high86 Ų8664.2 Ų64.237%0.37431%0.306SS..Hα-helixtrans-59.7-46171-76.9-172168.8-153.60111.9T244 I245 E251 L252 I303 F304T244-K248 PolarHBondContact O-N 2.78Å; T244-K248 VanDerWaalsContact O-N 3.14Å; I245-K248 WeakPolarHBondContact O-CB 3.42Å; I245-K248 PolarHBondContact O-N 2.9Å; I245-K248 VanDerWaalsContact O-N 3.13Å; K248-E251 WeakPolarHBondContact O-CB 3.42Å; K248-E251 PolarHBondContact O-N 2.9Å; K248-L252 PolarHBondContact O-N 3.35Å; K248-I303 HydrophobicContact CB-CG2 3.56Å; K248-I303 HydrophobicContact CD-CG2 3.95Å; K248-I303 HydrophobicContact CG-CG2 3.82Å; K248-I303 PolarHBondContact NZ-O 3.43Å; K248-F304 HydrophobicContact CB-CE1 4.21Å; K248-F304 HydrophobicContact CB-CZ 4.27Å
249I98.5Very high98.2Very high2 Ų264.3 Ų64.31%0.0131%0.307CS..Hα-helixtrans-61.1-47.3176.3-65.7160.2000110.4M223 V227 M230 I245 Q246 E251 L252 L253 F304M223-I249 HydrophobicContact CE-CG2 4.06Å; M223-I249 HydrophobicContact SD-CG1 4.38Å; V227-I249 HydrophobicContact CG2-CD1 3.68Å; M230-I249 HydrophobicContact SD-CD1 4.37Å; I245-I249 HydrophobicContact CG2-CD1 4.06Å; I245-I249 PolarHBondContact O-N 3.05Å; I245-I249 VanDerWaalsContact O-N 3.07Å; Q246-I249 PolarHBondContact O-N 2.79Å; I249-E251 VanDerWaalsContact C-N 3.3Å; I249-E251 PolarHBondContact O-N 3.24Å; I249-L252 PolarHBondContact O-N 3.41Å; I249-L253 HydrophobicContact CG2-CD1 3.78Å; I249-L253 HydrophobicContact CG2-CG 4.38Å; I249-L253 WeakPolarHBondContact O-CG 3.32Å; I249-L253 PolarHBondContact O-N 3.4Å; I249-F304 HydrophobicContact CG1-CZ 4.24Å
250Q98.6Very high98Very high55 Ų5562.8 Ų62.826%0.25731%0.309SS..Hα-helixtrans-61.1-37.4176.6-75.8176.2-3.900112.5E202 Q246 F247 L253 N254E202-Q250 HydrophobicContact CB-CG 4.49Å; E202-Q250 WeakPolarHBondContact O-CG 3.27Å; E202-Q250 PolarHBondContact O-NE2 3.07Å; Q246-Q250 WeakPolarHBondContact O-CB 3.41Å; Q246-Q250 VanDerWaalsContact O-CG 3.31Å; Q246-Q250 WeakPolarHBondContact O-CG 3.41Å; Q246-Q250 PolarHBondContact O-N 3.44Å; F247-Q250 PolarHBondContact O-N 3.04Å; Q250-L253 PolarHBondContact O-N 2.75Å; Q250-N254 WeakPolarHBondContact O-CB 3.44Å; Q250-N254 PolarHBondContact O-N 3.15Å; Q250-N254 PolarHBondContact O-ND2 2.87Å
251E98.6Very high97.9Very high97 Ų9759.9 Ų59.945%0.45329%0.288SS..Hα-helixtrans-61.4-47.2178.4-173.2-178.9158.600111.4F247 K248 I249 Y255 K299 I303F247-E251 WeakPolarHBondContact O-CB 3.45Å; F247-E251 PolarHBondContact O-N 3.11Å; K248-E251 WeakPolarHBondContact O-CB 3.42Å; K248-E251 PolarHBondContact O-N 2.9Å; I249-E251 VanDerWaalsContact C-N 3.3Å; I249-E251 PolarHBondContact O-N 3.24Å; E251-Y255 VanDerWaalsContact O-CB 3.3Å; E251-Y255 WeakPolarHBondContact O-CB 3.39Å; E251-Y255 PolarHBondContact O-N 3.17Å; E251-Y255 VanDerWaalsContact O-N 3.07Å; E251-K299 IonicContact OE1-NZ 2.65Å; E251-K299 PolarHBondContact OE1-NZ 3.33Å; E251-I303 HydrophobicContact CB-CD1 4.13Å; E251-I303 HydrophobicContact CG-CD1 4.06Å
252L98.6Very high97.8Very high1 Ų159.3 Ų59.31%0.00529%0.288CS..Hα-helixtrans-62.3-50.7175.3178.163.8000111.3M223 K248 I249 Y255 A256 L269 K299 Y300 I303 F304M223-L252 HydrophobicContact CE-CD2 4.15Å; M223-L252 HydrophobicContact SD-CD2 3.69Å; K248-L252 PolarHBondContact O-N 3.35Å; I249-L252 PolarHBondContact O-N 3.41Å; L252-Y255 WeakPolarHBondContact O-CB 3.49Å; L252-Y255 PolarHBondContact O-N 3.3Å; L252-A256 WeakPolarHBondContact O-CB 3.45Å; L252-A256 PolarHBondContact O-N 2.94Å; L252-L269 HydrophobicContact CD2-CD2 4.45Å; L252-K299 HydrophobicContact CD1-CB 4.19Å; L252-K299 HydrophobicContact CD1-CG 3.84Å; L252-Y300 HydrophobicContact CD2-CD2 3.76Å; L252-I303 HydrophobicContact CB-CD1 3.83Å; L252-F304 HydrophobicContact CD2-CE2 4.03Å
253L98.1Very high97.8Very high9 Ų960.3 Ų60.35%0.04730%0.295CS..Hα-helixtrans-66.6-41.2-175.3-66.3177.2000111.9D201 E202 T219 I249 Q250 Y255 A256 I257 F261D201-L253 HydrophobicContact CB-CD1 4.47Å; E202-L253 HydrophobicContact CB-CD1 3.72Å; T219-L253 HydrophobicContact CG2-CD1 4.16Å; T219-L253 HydrophobicContact CG2-CD2 3.86Å; I249-L253 HydrophobicContact CG2-CD1 3.78Å; I249-L253 HydrophobicContact CG2-CG 4.38Å; I249-L253 WeakPolarHBondContact O-CG 3.32Å; I249-L253 PolarHBondContact O-N 3.4Å; Q250-L253 PolarHBondContact O-N 2.75Å; L253-Y255 VanDerWaalsContact C-N 3.32Å; L253-Y255 PolarHBondContact O-N 3.3Å; L253-A256 PolarHBondContact O-N 2.91Å; L253-I257 WeakPolarHBondContact O-CB 3.33Å; L253-I257 WeakPolarHBondContact O-CD1 3.38Å; L253-I257 WeakPolarHBondContact O-CG1 3.48Å; L253-I257 PolarHBondContact O-N 2.79Å; L253-F261 HydrophobicContact CD2-CE1 3.84Å; L253-F261 HydrophobicContact CD2-CZ 4.35Å
254N98.1Very high97.7Very high84 Ų8454.1 Ų54.145%0.44927%0.272SS..Hα-helixtrans-64.3-37.5175-74.5-34.1000112Q250 K258Q250-N254 WeakPolarHBondContact O-CB 3.44Å; Q250-N254 PolarHBondContact O-N 3.15Å; Q250-N254 PolarHBondContact O-ND2 2.87Å; N254-K258 VanDerWaalsContact O-CG 3.28Å; N254-K258 WeakPolarHBondContact O-CG 3.5Å; N254-K258 PolarHBondContact O-N 3.17Å
255Y98.3Very high97.7Very high75 Ų7551.1 Ų51.129%0.29425%0.254SS..Hα-helixtrans-63.6-48.4173.5-179.3-96.1000110.8E251 L252 L253 K258 L259 L296 K299E251-Y255 VanDerWaalsContact O-CB 3.3Å; E251-Y255 WeakPolarHBondContact O-CB 3.39Å; E251-Y255 PolarHBondContact O-N 3.17Å; E251-Y255 VanDerWaalsContact O-N 3.07Å; L252-Y255 WeakPolarHBondContact O-CB 3.49Å; L252-Y255 PolarHBondContact O-N 3.3Å; L253-Y255 VanDerWaalsContact C-N 3.32Å; L253-Y255 PolarHBondContact O-N 3.3Å; Y255-K258 PolarHBondContact O-N 3.04Å; Y255-L259 HydrophobicContact CD1-CD1 3.99Å; Y255-L259 HydrophobicContact CE1-CD1 3.43Å; Y255-L259 VanDerWaalsContact CE1-CD1 3.43Å; Y255-L296 HydrophobicContact CD1-CD2 3.98Å; Y255-L296 HydrophobicContact CE1-CD2 4.12Å; Y255-K299 HydrophobicContact CD1-CB 3.9Å; Y255-K299 HydrophobicContact CD1-CD 4.32Å; Y255-K299 HydrophobicContact CD1-CG 3.59Å; Y255-K299 HydrophobicContact CE1-CB 3.88Å; Y255-K299 HydrophobicContact CE1-CG 4.02Å; Y255-K299 HydrophobicContact CG-CD 4.26Å; Y255-K299 HydrophobicContact CG-CG 3.91Å
256A97.4Very high97.7Very high1 Ų151 Ų511%0.00825%0.253CS..Hα-helixtrans-62.7-46179.600000112.2L252 L253 K258 L259 G260 F261 L296L252-A256 WeakPolarHBondContact O-CB 3.45Å; L252-A256 PolarHBondContact O-N 2.94Å; L253-A256 PolarHBondContact O-N 2.91Å; A256-K258 VanDerWaalsContact C-N 3.27Å; A256-K258 PolarHBondContact O-N 3.14Å; A256-L259 CarbonylContact O-C 3.52Å; A256-L259 WeakPolarHBondContact O-CA 3.22Å; A256-L259 WeakPolarHBondContact O-CB 3.43Å; A256-L259 PolarHBondContact O-N 2.96Å; A256-G260 PolarHBondContact O-N 2.87Å; A256-F261 HydrophobicContact CB-CB 3.85Å; A256-F261 HydrophobicContact CB-CD1 4.31Å; A256-F261 HydrophobicContact CB-CD2 3.57Å; A256-F261 HydrophobicContact CB-CE2 4.1Å; A256-F261 HydrophobicContact CB-CG 3.68Å; A256-F261 WeakPolarHBondContact O-CB 3.44Å; A256-F261 PolarHBondContact O-N 3.36Å; A256-L296 HydrophobicContact CB-CD2 3.66Å
257I96.6Very high97.7Very high90 Ų9050.8 Ų50.846%0.46225%0.252SS..Hα-helixtrans-57.3-41.1179.8-72.6163.3000110.9L253 L259 G260 F261L253-I257 WeakPolarHBondContact O-CB 3.33Å; L253-I257 WeakPolarHBondContact O-CD1 3.38Å; L253-I257 WeakPolarHBondContact O-CG1 3.48Å; L253-I257 PolarHBondContact O-N 2.79Å; I257-L259 PolarHBondContact O-N 3.06Å; I257-G260 PolarHBondContact O-N 2.84Å; I257-G260 VanDerWaalsContact O-N 3.09Å; I257-F261 HydrophobicContact CG1-CB 4.22Å
258K97.1Very high97.7Very high180 Ų18048 Ų4878%0.78324%0.24SC*.Hα-helixtrans-61.2-23.4175.8-73.8171.9-176.71790113.5N254 Y255 A256N254-K258 VanDerWaalsContact O-CG 3.28Å; N254-K258 WeakPolarHBondContact O-CG 3.5Å; N254-K258 PolarHBondContact O-N 3.17Å; Y255-K258 PolarHBondContact O-N 3.04Å; A256-K258 VanDerWaalsContact C-N 3.27Å; A256-K258 PolarHBondContact O-N 3.14Å
259L95.4Very high97.7Very high71 Ų7144 Ų4437%0.37222%0.223SC..THydrogen-bonded Turntrans-98.60.8179.3-58.5177.5000113.3Y255 A256 I257 L292 L296Y255-L259 HydrophobicContact CD1-CD1 3.99Å; Y255-L259 HydrophobicContact CE1-CD1 3.43Å; Y255-L259 VanDerWaalsContact CE1-CD1 3.43Å; A256-L259 CarbonylContact O-C 3.52Å; A256-L259 WeakPolarHBondContact O-CA 3.22Å; A256-L259 WeakPolarHBondContact O-CB 3.43Å; A256-L259 PolarHBondContact O-N 2.96Å; I257-L259 PolarHBondContact O-N 3.06Å; L259-L292 HydrophobicContact CB-CD1 3.55Å; L259-L292 HydrophobicContact CD1-CD1 3.59Å; L259-L292 HydrophobicContact CG-CD1 4.16Å; L259-L296 HydrophobicContact CD1-CD2 4.2Å
260G94.4Very high97.7Very high43 Ų4343.9 Ų43.944%0.44322%0.223SC..  trans91.765.7-178.600000113.3A256 I257 D262 V265A256-G260 PolarHBondContact O-N 2.87Å; I257-G260 PolarHBondContact O-N 2.84Å; I257-G260 VanDerWaalsContact O-N 3.09Å; G260-D262 PolarHBondContact O-N 3.38Å; G260-V265 WeakPolarHBondContact O-CG2 3.44Å
261F95.7Very high97.7Very high45 Ų4541.8 Ų41.820%0.19721%0.214CC..  trans-87.198-178.8-166.3-120.2000112.6L253 A256 I257 V265 N266 L269L253-F261 HydrophobicContact CD2-CE1 3.84Å; L253-F261 HydrophobicContact CD2-CZ 4.35Å; A256-F261 HydrophobicContact CB-CB 3.85Å; A256-F261 HydrophobicContact CB-CD1 4.31Å; A256-F261 HydrophobicContact CB-CD2 3.57Å; A256-F261 HydrophobicContact CB-CE2 4.1Å; A256-F261 HydrophobicContact CB-CG 3.68Å; A256-F261 WeakPolarHBondContact O-CB 3.44Å; A256-F261 PolarHBondContact O-N 3.36Å; I257-F261 HydrophobicContact CG1-CB 4.22Å; F261-V265 HydrophobicContact CD2-CB 4.17Å; F261-V265 HydrophobicContact CD2-CG1 3.71Å; F261-V265 HydrophobicContact CE2-CG1 4.23Å; F261-N266 HydrophobicContact CD2-CB 4.49Å; F261-N266 HydrophobicContact CE1-CB 4.1Å; F261-N266 HydrophobicContact CE2-CB 3.71Å; F261-N266 HydrophobicContact CZ-CB 3.49Å; F261-N266 VanDerWaalsContact CZ-CB 3.49Å; F261-N266 WeakPolarHBondContact CZ-OD1 3.32Å; F261-L269 HydrophobicContact CE2-CD2 4.43Å
262D97Very high97.7Very high67 Ų6740 Ų4036%0.35821%0.207SC..  trans-109.8-174.3170.772.911.4000111.9G260 G264 V265 N266G260-D262 PolarHBondContact O-N 3.38Å; D262-G264 VanDerWaalsContact C-N 3.27Å; D262-G264 PolarHBondContact O-N 3.09Å; D262-G264 WeakPolarHBondContact OD1-CA 3.37Å; D262-G264 PolarHBondContact OD1-N 2.89Å; D262-V265 PolarHBondContact O-N 3.2Å; D262-V265 PolarHBondContact OD1-N 3.17Å; D262-N266 VanDerWaalsContact O-CB 3.25Å; D262-N266 WeakPolarHBondContact O-CB 3.31Å; D262-N266 PolarHBondContact O-N 3.18Å
263T97.9Very high97.7Very high21 Ų2141.3 Ų41.313%0.12922%0.215CC..Hα-helixtrans-59.7-35.3178.2-57.60000112.8F17 E55 K267 L285F17-T263 HydrophobicContact CE1-CG2 4.48Å; E55-T263 HydrophobicContact CG-CG2 4.01Å; T263-K267 VanDerWaalsContact O-CB 3.27Å; T263-K267 WeakPolarHBondContact O-CB 3.36Å; T263-K267 PolarHBondContact O-N 3.49Å; T263-L285 HydrophobicContact CG2-CD1 4.08Å
264G98.1Very high97.7Very high2 Ų241.9 Ų41.92%0.02122%0.221CC..Hα-helixtrans-69-44.3179.900000112.1D262 K267 Q268D262-G264 VanDerWaalsContact C-N 3.27Å; D262-G264 PolarHBondContact O-N 3.09Å; D262-G264 WeakPolarHBondContact OD1-CA 3.37Å; D262-G264 PolarHBondContact OD1-N 2.89Å; G264-K267 PolarHBondContact O-N 3.21Å; G264-Q268 PolarHBondContact O-N 3.4Å; G264-Q268 VanDerWaalsContact O-N 3.12Å
265V98.4Very high97.7Very high10 Ų1040.5 Ų40.56%0.06123%0.226CC..Hα-helixtrans-65.5-41174.3179.50000111.5G260 F261 D262 Q268 L269 C288 L292 L296G260-V265 WeakPolarHBondContact O-CG2 3.44Å; F261-V265 HydrophobicContact CD2-CB 4.17Å; F261-V265 HydrophobicContact CD2-CG1 3.71Å; F261-V265 HydrophobicContact CE2-CG1 4.23Å; D262-V265 PolarHBondContact O-N 3.2Å; D262-V265 PolarHBondContact OD1-N 3.17Å; V265-Q268 WeakPolarHBondContact O-CB 3.46Å; V265-Q268 PolarHBondContact O-N 2.92Å; V265-L269 PolarHBondContact O-N 3.27Å; V265-C288 HydrophobicContact CG2-CB 4.22Å; V265-L292 HydrophobicContact CG1-CD2 4.08Å; V265-L292 HydrophobicContact CG1-CG 4.46Å; V265-L292 HydrophobicContact CG2-CD2 4.02Å; V265-L296 HydrophobicContact CG1-CD1 3.25Å
266N98.6Very high97.7Very high9 Ų938.1 Ų38.15%0.04822%0.218CC..Hα-helixtrans-65.2-39.7177.2-166.63000112.5F17 S218 Y222 F261 D262 Q268 L269 M270F17-N266 HydrophobicContact CE1-CB 4.21Å; F17-N266 HydrophobicContact CZ-CB 4.06Å; S218-N266 WeakPolarHBondContact CB-ND2 3.18Å; S218-N266 PolarHBondContact OG-ND2 3.26Å; Y222-N266 VanDerWaalsContact CE1-OD1 3.24Å; Y222-N266 WeakPolarHBondContact CE1-OD1 3.44Å; Y222-N266 PolarHBondContact OH-OD1 2.99Å; F261-N266 HydrophobicContact CD2-CB 4.49Å; F261-N266 HydrophobicContact CE1-CB 4.1Å; F261-N266 HydrophobicContact CE2-CB 3.71Å; F261-N266 HydrophobicContact CZ-CB 3.49Å; F261-N266 VanDerWaalsContact CZ-CB 3.49Å; F261-N266 WeakPolarHBondContact CZ-OD1 3.32Å; D262-N266 VanDerWaalsContact O-CB 3.25Å; D262-N266 WeakPolarHBondContact O-CB 3.31Å; D262-N266 PolarHBondContact O-N 3.18Å; N266-Q268 VanDerWaalsContact C-N 3.3Å; N266-Q268 PolarHBondContact O-N 3.46Å; N266-L269 PolarHBondContact O-N 3.18Å; N266-M270 PolarHBondContact O-N 2.93Å
267K98.8Very high97.7Very high1 Ų145.8 Ų45.80%0.00425%0.253CS..Hα-helixtrans-61.6-38.7174.3-174.1179.2-173.4173.30112F17 T18 E55 T263 G264 S271 L278 G279 P280F17-K267 HydrophobicContact CB-CG 4.49Å; F17-K267 HydrophobicContact CD1-CB 3.62Å; F17-K267 HydrophobicContact CD1-CD 4.49Å; F17-K267 HydrophobicContact CD1-CG 3.87Å; F17-K267 VanDerWaalsContact CE1-CA 3.44Å; F17-K267 HydrophobicContact CE1-CB 3.7Å; F17-K267 HydrophobicContact CE1-CG 4.43Å; F17-K267 HydrophobicContact CG-CB 4.44Å; F17-K267 HydrophobicContact CG-CG 4.31Å; T18-K267 WeakPolarHBondContact O-CE 3.28Å; T18-K267 PolarHBondContact O-NZ 3.09Å; E55-K267 IonicContact OE1-NZ 3.51Å; E55-K267 PolarHBondContact OE1-NZ 3.15Å; T263-K267 VanDerWaalsContact O-CB 3.27Å; T263-K267 WeakPolarHBondContact O-CB 3.36Å; T263-K267 PolarHBondContact O-N 3.49Å; G264-K267 PolarHBondContact O-N 3.21Å; K267-S271 PolarHBondContact O-N 3.01Å; K267-S271 PolarHBondContact O-OG 2.93Å; K267-L278 WeakPolarHBondContact CE-O 3.43Å; K267-L278 HydrophobicContact CG-CB 4.03Å; K267-L278 HydrophobicContact CG-CD1 4.21Å; K267-L278 PolarHBondContact NZ-O 3.37Å; K267-G279 VanDerWaalsContact CE-O 3.24Å; K267-G279 WeakPolarHBondContact CE-O 3.49Å; K267-P280 PolarHBondContact NZ-O 3.1Å
268Q98.6Very high97.8Very high58 Ų5841.5 Ų41.527%0.27123%0.231SC..Hα-helixtrans-63.6-49.8174.1-176.361.550.400111.1G264 V265 N266 M270 S271 D272 C288 A293G264-Q268 PolarHBondContact O-N 3.4Å; G264-Q268 VanDerWaalsContact O-N 3.12Å; V265-Q268 WeakPolarHBondContact O-CB 3.46Å; V265-Q268 PolarHBondContact O-N 2.92Å; N266-Q268 VanDerWaalsContact C-N 3.3Å; N266-Q268 PolarHBondContact O-N 3.46Å; Q268-M270 VanDerWaalsContact C-N 3.31Å; Q268-M270 PolarHBondContact O-N 3.46Å; Q268-S271 WeakPolarHBondContact O-CA 3.48Å; Q268-S271 WeakPolarHBondContact O-CB 3.28Å; Q268-S271 PolarHBondContact O-N 3.01Å; Q268-D272 PolarHBondContact NE2-OD1 3.16Å; Q268-D272 PolarHBondContact NE2-OD2 3.38Å; Q268-D272 PolarHBondContact O-N 2.93Å; Q268-C288 HydrophobicContact CB-CB 3.58Å; Q268-C288 HydrophobicContact CG-CB 3.75Å; Q268-A293 HydrophobicContact CG-CB 3.65Å
269L98.7Very high97.8Very high3 Ų334.2 Ų34.22%0.01621%0.208CC..Hα-helixtrans-58.5-43.1178.6-179.559.8000112Y222 L252 F261 V265 N266 S271 D272 V273 L296Y222-L269 HydrophobicContact CE2-CD2 3.86Å; Y222-L269 HydrophobicContact CE2-CG 4.31Å; L252-L269 HydrophobicContact CD2-CD2 4.45Å; F261-L269 HydrophobicContact CE2-CD2 4.43Å; V265-L269 PolarHBondContact O-N 3.27Å; N266-L269 PolarHBondContact O-N 3.18Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-S271 PolarHBondContact O-N 3.31Å; L269-D272 PolarHBondContact O-N 2.98Å; L269-V273 HydrophobicContact CD1-CG2 3.91Å; L269-V273 HydrophobicContact CG-CG2 4.36Å; L269-V273 VanDerWaalsContact O-CG2 3.32Å; L269-V273 WeakPolarHBondContact O-CG2 3.43Å; L269-V273 PolarHBondContact O-N 3.5Å; L269-L296 HydrophobicContact CD1-CB 4.22Å
270M98.7Very high97.9Very high0 Ų033 Ų330%020%0.204CC..Hα-helixtrans-58.8-43.7173.4171.956.5-169.200112F17 Y34 Y37 N221 Y222 N266 Q268 D272 S274 L278F17-M270 HydrophobicContact CD2-CB 4.01Å; F17-M270 HydrophobicContact CD2-CG 3.81Å; F17-M270 HydrophobicContact CE2-CB 3.64Å; F17-M270 HydrophobicContact CE2-CG 3.86Å; F17-M270 HydrophobicContact CZ-CB 4.27Å; Y34-M270 HydrophobicContact CD2-CE 3.9Å; Y34-M270 HydrophobicContact CE2-CE 3.28Å; Y37-M270 HydrophobicContact CD1-CE 3.68Å; Y37-M270 HydrophobicContact CE1-CE 3.46Å; Y37-M270 VanDerWaalsContact CE1-CE 3.46Å; Y37-M270 HydrophobicContact CE1-SD 4.11Å; N221-M270 HydrophobicContact CB-CE 4.11Å; N221-M270 HydrophobicContact CB-CG 4.28Å; N221-M270 HydrophobicContact CB-SD 3.58Å; N221-M270 VanDerWaalsContact CB-SD 3.58Å; N221-M270 VanDerWaalsContact O-SD 3.33Å; Y222-M270 HydrophobicContact CD1-CB 3.87Å; Y222-M270 HydrophobicContact CD1-CG 4.42Å; Y222-M270 HydrophobicContact CD1-SD 3.94Å; Y222-M270 HydrophobicContact CE1-CB 4.39Å; Y222-M270 HydrophobicContact CG-SD 4.36Å; N266-M270 PolarHBondContact O-N 2.93Å; Q268-M270 VanDerWaalsContact C-N 3.31Å; Q268-M270 PolarHBondContact O-N 3.46Å; M270-D272 VanDerWaalsContact C-N 3.33Å; M270-D272 PolarHBondContact O-N 3.2Å; M270-S274 VanDerWaalsContact O-CB 3.25Å; M270-S274 WeakPolarHBondContact O-CB 3.37Å; M270-S274 PolarHBondContact O-N 3.36Å; M270-S274 PolarHBondContact O-OG 3.3Å; M270-L278 HydrophobicContact CB-CD1 4.1Å; M270-L278 HydrophobicContact CG-CD1 3.52Å
271S98.7Very high98Very high10 Ų1031.7 Ų31.77%0.0719%0.187CC..Hα-helixtrans-61.4-43.9178.6-58.10000111.4K267 Q268 L269 S274 G275 L276 L278K267-S271 PolarHBondContact O-N 3.01Å; K267-S271 PolarHBondContact O-OG 2.93Å; Q268-S271 WeakPolarHBondContact O-CA 3.48Å; Q268-S271 WeakPolarHBondContact O-CB 3.28Å; Q268-S271 PolarHBondContact O-N 3.01Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-S271 PolarHBondContact O-N 3.31Å; S271-S274 PolarHBondContact O-OG 3.39Å; S271-G275 WeakPolarHBondContact O-CA 3.36Å; S271-G275 PolarHBondContact O-N 3.16Å; S271-L276 WeakPolarHBondContact CA-O 3.48Å; S271-L276 WeakPolarHBondContact CB-O 3.49Å; S271-L276 PolarHBondContact O-N 3.25Å; S271-L276 PolarHBondContact OG-O 3.09Å; S271-L278 WeakPolarHBondContact OG-CB 3.34Å; S271-L278 WeakPolarHBondContact OG-CG 3.34Å
272D98.5Very high98.2Very high59 Ų5931.7 Ų31.732%0.31619%0.186SC..Hα-helixtrans-70.5-40.8-177.4-65.6-29.1000112.5Q268 L269 M270 L297Q268-D272 PolarHBondContact NE2-OD1 3.16Å; Q268-D272 PolarHBondContact NE2-OD2 3.38Å; Q268-D272 PolarHBondContact O-N 2.93Å; L269-D272 PolarHBondContact O-N 2.98Å; M270-D272 VanDerWaalsContact C-N 3.33Å; M270-D272 PolarHBondContact O-N 3.2Å; D272-L297 HydrophobicContact CB-CD1 3.89Å; D272-L297 HydrophobicContact CB-CD2 4.06Å; D272-L297 HydrophobicContact CB-CG 4.4Å
273V98.6Very high98.2Very high29 Ų2934.7 Ų34.718%0.17620%0.201CC..Hα-helixtrans-71.2-40178.5175.10000111.6L269 L297 Y300L269-V273 HydrophobicContact CD1-CG2 3.91Å; L269-V273 HydrophobicContact CG-CG2 4.36Å; L269-V273 VanDerWaalsContact O-CG2 3.32Å; L269-V273 WeakPolarHBondContact O-CG2 3.43Å; L269-V273 PolarHBondContact O-N 3.5Å; V273-L297 HydrophobicContact CG2-CD1 3.96Å; V273-Y300 HydrophobicContact CG1-CE1 3.82Å; V273-Y300 HydrophobicContact CG1-CE2 4.36Å; V273-Y300 HydrophobicContact CG2-CD1 3.83Å; V273-Y300 HydrophobicContact CG2-CD2 4.09Å; V273-Y300 HydrophobicContact CG2-CE1 3.95Å; V273-Y300 HydrophobicContact CG2-CE2 4.2Å; V273-Y300 HydrophobicContact CG2-CG 3.93Å
274S98.5Very high98.1Very high22 Ų2239.1 Ų39.115%0.15423%0.231CC..Hα-helixtrans-83.4-22.4-177.465.40000114.1Y37 M270 S271 L276Y37-S274 VanDerWaalsContact CE1-CB 3.41Å; M270-S274 VanDerWaalsContact O-CB 3.25Å; M270-S274 WeakPolarHBondContact O-CB 3.37Å; M270-S274 PolarHBondContact O-N 3.36Å; M270-S274 PolarHBondContact O-OG 3.3Å; S271-S274 PolarHBondContact O-OG 3.39Å; S274-L276 PolarHBondContact O-N 2.7Å; S274-L276 WeakPolarHBondContact OG-CB 3.47Å; S274-L276 PolarHBondContact OG-N 3.34Å; S274-L276 VanDerWaalsContact OG-N 3.1Å
275G98.3Very high98.1Very high54 Ų5440.9 Ų40.956%0.55724%0.239SC*.  trans72.94-166.900000114.1S271S271-G275 WeakPolarHBondContact O-CA 3.36Å; S271-G275 PolarHBondContact O-N 3.16Å
276L98.4Very high98Very high26 Ų2646 Ų4614%0.13626%0.264CS..  trans-84.3132.2176.5-61.5172.8000110.5V30 P33 Y34 Y37 S271 S274 L278V30-L276 HydrophobicContact CG1-CB 4.31Å; P33-L276 HydrophobicContact CB-CD2 3.83Å; Y34-L276 HydrophobicContact CD2-CD1 3.99Å; Y34-L276 HydrophobicContact CG-CD1 3.98Å; Y37-L276 HydrophobicContact CD1-CD1 4.38Å; Y37-L276 HydrophobicContact CG-CD1 4.3Å; S271-L276 WeakPolarHBondContact CA-O 3.48Å; S271-L276 WeakPolarHBondContact CB-O 3.49Å; S271-L276 PolarHBondContact O-N 3.25Å; S271-L276 PolarHBondContact OG-O 3.09Å; S274-L276 PolarHBondContact O-N 2.7Å; S274-L276 WeakPolarHBondContact OG-CB 3.47Å; S274-L276 PolarHBondContact OG-N 3.34Å; S274-L276 VanDerWaalsContact OG-N 3.1Å; L276-L278 HydrophobicContact CB-CD2 4.3Å; L276-L278 PolarHBondContact O-N 3.37Å; L276-L278 VanDerWaalsContact O-N 3.09Å
277H96.4Very high98Very high161 Ų16149.2 Ų49.275%0.74529%0.286SS*.  trans-81.890.1175.8-60.3-54.3000111G279H277-G279 VanDerWaalsContact C-N 3.26Å; H277-G279 PolarHBondContact O-N 3.37Å
278L98.3Very high97.9Very high0 Ų050 Ų500%029%0.291CS..  trans-79.2-10.2176.5-53.3-178.5000113.4F17 P19 L20 V30 Y34 K267 M270 S271 L276F17-L278 HydrophobicContact CB-CD1 3.88Å; F17-L278 HydrophobicContact CD2-CD1 4.2Å; F17-L278 HydrophobicContact CG-CD1 4.15Å; P19-L278 CarbonylContact C-O 3.56Å; P19-L278 VanDerWaalsContact CA-O 3.31Å; P19-L278 WeakPolarHBondContact CA-O 3.46Å; P19-L278 HydrophobicContact CB-CD2 4.27Å; P19-L278 HydrophobicContact CG-CD2 4Å; L20-L278 PolarHBondContact N-O 2.85Å; V30-L278 HydrophobicContact CG1-CD2 3.97Å; Y34-L278 HydrophobicContact CD1-CD2 4.01Å; Y34-L278 HydrophobicContact CE1-CD2 3.99Å; K267-L278 WeakPolarHBondContact CE-O 3.43Å; K267-L278 HydrophobicContact CG-CB 4.03Å; K267-L278 HydrophobicContact CG-CD1 4.21Å; K267-L278 PolarHBondContact NZ-O 3.37Å; M270-L278 HydrophobicContact CB-CD1 4.1Å; M270-L278 HydrophobicContact CG-CD1 3.52Å; S271-L278 WeakPolarHBondContact OG-CB 3.34Å; S271-L278 WeakPolarHBondContact OG-CG 3.34Å; L276-L278 HydrophobicContact CB-CD2 4.3Å; L276-L278 PolarHBondContact O-N 3.37Å; L276-L278 VanDerWaalsContact O-N 3.09Å
279G97.5Very high97.8Very high28 Ų2850 Ų5029%0.28930%0.298SS..  trans67-176.4-179.300000114.4L20 K267 H277L20-G279 WeakPolarHBondContact O-CA 3.44Å; K267-G279 VanDerWaalsContact CE-O 3.24Å; K267-G279 WeakPolarHBondContact CE-O 3.49Å; H277-G279 VanDerWaalsContact C-N 3.26Å; H277-G279 PolarHBondContact O-N 3.37Å
280P97.4Very high97.8Very high46 Ų4655 Ų5530%0.29933%0.33SS..PPolyproline II helixtrans-67.8159.8-176.130.3-35.2000111.4K267 P287K267-P280 PolarHBondContact NZ-O 3.1Å; P280-P287 HydrophobicContact CB-CG 4.15Å
281P98.1Very high97.7Very high14 Ų1460.8 Ų60.89%0.09136%0.361CS..PPolyproline II helixtrans-73.9166.9165.636.8-37.8000110.5E55 L285 M286E55-P281 WeakPolarHBondContact OE2-CA 3.35Å; E55-P281 WeakPolarHBondContact OE2-CB 3.45Å; P281-L285 HydrophobicContact CB-CB 3.7Å; P281-L285 HydrophobicContact CB-CD1 4.13Å; P281-L285 HydrophobicContact CG-CB 3.91Å; P281-M286 WeakPolarHBondContact CG-O 3.2Å
282R97.9Very high97.7Very high46 Ų4661.5 Ų61.517%0.17436%0.364CS..PPolyproline II helixtrans-90.2140.9174.4-170.4172.1-69.3-179.2-0.9110.7L20 G24 E55 S58 E63 L285L20-R282 HydrophobicContact CD1-CB 3.93Å; G24-R282 PolarHBondContact O-NH2 3.43Å; E55-R282 PolarHBondContact OE2-N 2.94Å; S58-R282 WeakPolarHBondContact O-CD 3.44Å; S58-R282 PolarHBondContact O-NH1 3.32Å; E63-R282 VanDerWaalsContact CD-NH1 3.3Å; E63-R282 IonicContact OE1-CZ 2.82Å; E63-R282 VanDerWaalsContact OE1-CZ 3.23Å; E63-R282 IonicContact OE1-NH1 3.62Å; E63-R282 PolarHBondContact OE1-NH1 2.87Å; E63-R282 IonicContact OE1-NH2 2.85Å; E63-R282 PolarHBondContact OE1-NH2 2.91Å; E63-R282 IonicContact OE2-CZ 2.75Å; E63-R282 IonicContact OE2-NH1 3.81Å; E63-R282 PolarHBondContact OE2-NH1 2.58Å; R282-L285 WeakPolarHBondContact O-CB 3.31Å; R282-L285 PolarHBondContact O-N 3.13Å; R282-L285 VanDerWaalsContact O-N 3.11Å
283L97.4Very high97.7Very high129 Ų12959.1 Ų59.168%0.67535%0.352SS*.THydrogen-bonded Turntrans-48.9140172.1-72176.1000111M286L283-M286 HydrophobicContact CD2-SD 3.71Å
284P97.1Very high97.7Very high115 Ų11563.4 Ų63.475%0.74737%0.37SS*.THydrogen-bonded Turncis-863.912.735.5-37.8000115.7
285L97.6Very high97.7Very high38 Ų3865.9 Ų65.920%0.19938%0.381CS..SBendtrans-69.9142.4172.4-64.2169.3000109.8E55 T263 P281 R282E55-L285 HydrophobicContact CG-CD1 4.17Å; T263-L285 HydrophobicContact CG2-CD1 4.08Å; P281-L285 HydrophobicContact CB-CB 3.7Å; P281-L285 HydrophobicContact CB-CD1 4.13Å; P281-L285 HydrophobicContact CG-CB 3.91Å; R282-L285 WeakPolarHBondContact O-CB 3.31Å; R282-L285 PolarHBondContact O-N 3.13Å; R282-L285 VanDerWaalsContact O-N 3.11Å
286M96.9Very high97.7Very high118 Ų11863.3 Ų63.358%0.58136%0.355SS*.  trans-104.1147.8179.7-64.4-60-65.600110.5P281 L283P281-M286 WeakPolarHBondContact CG-O 3.2Å; L283-M286 HydrophobicContact CD2-SD 3.71Å
287P97Very high97.7Very high77 Ų7764.2 Ų64.250%0.536%0.36SS..PPolyproline II helixtrans-57143.6170.2-23.533.7000111.7P280P280-P287 HydrophobicContact CB-CG 4.15Å
288C97.4Very high97.8Very high16 Ų1661.7 Ų61.711%0.10835%0.348CS..PPolyproline II helixtrans-61.9138.9170.2-1730000110V265 Q268V265-C288 HydrophobicContact CG2-CB 4.22Å; Q268-C288 HydrophobicContact CB-CB 3.58Å; Q268-C288 HydrophobicContact CG-CB 3.75Å
289S97.3Very high97.8Very high60 Ų6063.6 Ų63.642%0.4236%0.357SS..PPolyproline II helixtrans-68.3148.7172.567.40000110.5D291 L292 A293S289-D291 VanDerWaalsContact C-N 3.28Å; S289-D291 PolarHBondContact O-N 3.27Å; S289-L292 PolarHBondContact O-N 3.4Å; S289-L292 VanDerWaalsContact OG-CB 3.28Å; S289-L292 WeakPolarHBondContact OG-CB 3.34Å; S289-L292 PolarHBondContact OG-N 3.06Å; S289-A293 PolarHBondContact O-N 3.21Å
290P97.6Very high97.9Very high107 Ų10762.8 Ų62.870%0.69535%0.345SS*.Hα-helixtrans-56.4-40.6177.6-27.535.7000113.5L292 A293 Q294P290-L292 PolarHBondContact O-N 2.95Å; P290-A293 PolarHBondContact O-N 3.25Å; P290-Q294 PolarHBondContact O-N 3Å
291D97.8Very high97.9Very high122 Ų12264 Ų6465%0.65235%0.346SS*.Hα-helixtrans-62.9-43.6179-62.8-13.1000111.5S289 Q294 L295S289-D291 VanDerWaalsContact C-N 3.28Å; S289-D291 PolarHBondContact O-N 3.27Å; D291-Q294 PolarHBondContact O-N 2.98Å; D291-L295 WeakPolarHBondContact O-CG 3.46Å; D291-L295 PolarHBondContact O-N 3.18Å; D291-L295 VanDerWaalsContact O-N 3.09Å
292L97.9Very high97.9Very high25 Ų2567 Ų6713%0.13137%0.368CS..Hα-helixtrans-67.3-42.2177.2178.257.2000111.3L259 V265 S289 P290 Q294 L295 L296L259-L292 HydrophobicContact CB-CD1 3.55Å; L259-L292 HydrophobicContact CD1-CD1 3.59Å; L259-L292 HydrophobicContact CG-CD1 4.16Å; V265-L292 HydrophobicContact CG1-CD2 4.08Å; V265-L292 HydrophobicContact CG1-CG 4.46Å; V265-L292 HydrophobicContact CG2-CD2 4.02Å; S289-L292 PolarHBondContact O-N 3.4Å; S289-L292 VanDerWaalsContact OG-CB 3.28Å; S289-L292 WeakPolarHBondContact OG-CB 3.34Å; S289-L292 PolarHBondContact OG-N 3.06Å; P290-L292 PolarHBondContact O-N 2.95Å; L292-Q294 VanDerWaalsContact C-N 3.32Å; L292-Q294 PolarHBondContact O-N 3.46Å; L292-L295 PolarHBondContact O-N 3.24Å; L292-L296 HydrophobicContact CD1-CD1 4.04Å; L292-L296 HydrophobicContact CD1-CD2 4.38Å; L292-L296 HydrophobicContact CD1-CG 3.94Å; L292-L296 HydrophobicContact CG-CD1 4.04Å; L292-L296 HydrophobicContact CG-CG 4.36Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3.14Å
293A98.2Very high97.9Very high9 Ų965.3 Ų65.37%0.07436%0.362CS..Hα-helixtrans-57.1-47.1177.200000111Q268 S289 P290 L295 L296 L297Q268-A293 HydrophobicContact CG-CB 3.65Å; S289-A293 PolarHBondContact O-N 3.21Å; P290-A293 PolarHBondContact O-N 3.25Å; A293-L295 PolarHBondContact O-N 2.83Å; A293-L296 PolarHBondContact O-N 2.75Å; A293-L297 WeakPolarHBondContact O-CB 3.43Å; A293-L297 PolarHBondContact O-N 3.3Å
294Q98.3Very high97.8Very high118 Ų11859.9 Ų59.955%0.55133%0.333SS*.Hα-helixtrans-62.2-44177.7-172.31783200112.4P290 D291 L292 L296 L297 Q298P290-Q294 PolarHBondContact O-N 3Å; D291-Q294 PolarHBondContact O-N 2.98Å; L292-Q294 VanDerWaalsContact C-N 3.32Å; L292-Q294 PolarHBondContact O-N 3.46Å; Q294-L296 PolarHBondContact O-N 3.18Å; Q294-L297 PolarHBondContact O-N 3.09Å; Q294-Q298 HydrophobicContact CG-CG 4.49Å; Q294-Q298 WeakPolarHBondContact O-CB 3.27Å; Q294-Q298 VanDerWaalsContact O-CG 3.27Å; Q294-Q298 WeakPolarHBondContact O-CG 3.39Å; Q294-Q298 PolarHBondContact O-N 3.48Å
295L98.3Very high97.5Very high74 Ų7462 Ų6239%0.38734%0.338SS..Hα-helixtrans-60.7-43.7177.5-75171.9000112D291 L292 A293 K299D291-L295 WeakPolarHBondContact O-CG 3.46Å; D291-L295 PolarHBondContact O-N 3.18Å; D291-L295 VanDerWaalsContact O-N 3.09Å; L292-L295 PolarHBondContact O-N 3.24Å; A293-L295 PolarHBondContact O-N 2.83Å; L295-K299 WeakPolarHBondContact O-CB 3.47Å; L295-K299 PolarHBondContact O-N 3.39Å
296L98.5Very high97.5Very high1 Ų163.2 Ų63.21%0.00535%0.345CS..Hα-helixtrans-69-40.8-180-66.4178.3000112Y255 A256 L259 V265 L269 L292 A293 Q294 K299 Y300Y255-L296 HydrophobicContact CD1-CD2 3.98Å; Y255-L296 HydrophobicContact CE1-CD2 4.12Å; A256-L296 HydrophobicContact CB-CD2 3.66Å; L259-L296 HydrophobicContact CD1-CD2 4.2Å; V265-L296 HydrophobicContact CG1-CD1 3.25Å; L269-L296 HydrophobicContact CD1-CB 4.22Å; L292-L296 HydrophobicContact CD1-CD1 4.04Å; L292-L296 HydrophobicContact CD1-CD2 4.38Å; L292-L296 HydrophobicContact CD1-CG 3.94Å; L292-L296 HydrophobicContact CG-CD1 4.04Å; L292-L296 HydrophobicContact CG-CG 4.36Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3.14Å; A293-L296 PolarHBondContact O-N 2.75Å; Q294-L296 PolarHBondContact O-N 3.18Å; L296-K299 PolarHBondContact O-N 3.39Å; L296-Y300 WeakPolarHBondContact O-CB 3.48Å; L296-Y300 PolarHBondContact O-N 2.89Å
297L98.6Very high97.5Very high44 Ų4460.3 Ų60.323%0.2333%0.333CS..Hα-helixtrans-64.2-45.6176.6-175.363.7000111.4D272 V273 A293 Q294 K299 Y300 H301D272-L297 HydrophobicContact CB-CD1 3.89Å; D272-L297 HydrophobicContact CB-CD2 4.06Å; D272-L297 HydrophobicContact CB-CG 4.4Å; V273-L297 HydrophobicContact CG2-CD1 3.96Å; A293-L297 WeakPolarHBondContact O-CB 3.43Å; A293-L297 PolarHBondContact O-N 3.3Å; Q294-L297 PolarHBondContact O-N 3.09Å; L297-K299 VanDerWaalsContact C-N 3.3Å; L297-K299 PolarHBondContact O-N 2.82Å; L297-Y300 WeakPolarHBondContact O-CB 3.3Å; L297-Y300 PolarHBondContact O-N 3.41Å; L297-H301 WeakPolarHBondContact CD1-NE2 3.49Å; L297-H301 PolarHBondContact O-CD2 3.32Å; L297-H301 PolarHBondContact O-N 3.22Å
298Q98.5Very high97.5Very high109 Ų10959.4 Ų59.451%0.50932%0.324SS..Hα-helixtrans-59.8-42.3173.9-73.8174.1000111.6Q294 Y300 H301 S302Q294-Q298 HydrophobicContact CG-CG 4.49Å; Q294-Q298 WeakPolarHBondContact O-CB 3.27Å; Q294-Q298 VanDerWaalsContact O-CG 3.27Å; Q294-Q298 WeakPolarHBondContact O-CG 3.39Å; Q294-Q298 PolarHBondContact O-N 3.48Å; Q298-Y300 VanDerWaalsContact C-N 3.34Å; Q298-H301 PolarHBondContact O-N 2.97Å; Q298-S302 WeakPolarHBondContact O-CB 3.21Å; Q298-S302 PolarHBondContact O-N 2.8Å
299K98.6Very high97.5Very high39 Ų3961.9 Ų61.917%0.1734%0.336CS..Hα-helixtrans-63-43177.3-175.759.7176.5156.20111.5E251 L252 Y255 L295 L296 L297 S302 I303E251-K299 IonicContact OE1-NZ 2.65Å; E251-K299 PolarHBondContact OE1-NZ 3.33Å; L252-K299 HydrophobicContact CD1-CB 4.19Å; L252-K299 HydrophobicContact CD1-CG 3.84Å; Y255-K299 HydrophobicContact CD1-CB 3.9Å; Y255-K299 HydrophobicContact CD1-CD 4.32Å; Y255-K299 HydrophobicContact CD1-CG 3.59Å; Y255-K299 HydrophobicContact CE1-CB 3.88Å; Y255-K299 HydrophobicContact CE1-CG 4.02Å; Y255-K299 HydrophobicContact CG-CD 4.26Å; Y255-K299 HydrophobicContact CG-CG 3.91Å; L295-K299 WeakPolarHBondContact O-CB 3.47Å; L295-K299 PolarHBondContact O-N 3.39Å; L296-K299 PolarHBondContact O-N 3.39Å; L297-K299 VanDerWaalsContact C-N 3.3Å; L297-K299 PolarHBondContact O-N 2.82Å; K299-S302 PolarHBondContact O-N 3.42Å; K299-S302 PolarHBondContact O-OG 3.26Å; K299-I303 HydrophobicContact CD-CD1 4.21Å; K299-I303 HydrophobicContact CG-CD1 4.23Å; K299-I303 WeakPolarHBondContact O-CG1 3.3Å; K299-I303 PolarHBondContact O-N 3.2Å
300Y98.6Very high97.6Very high11 Ų1162.1 Ų62.14%0.04333%0.331CS..Hα-helixtrans-55.8-55.5175.5176.1-86000110.8Y222 M223 L252 V273 L296 L297 Q298 S302 I303 F304Y222-Y300 HydrophobicContact CD2-CD2 4.31Å; Y222-Y300 AromaticContact CD2-CE2 3.9Å; Y222-Y300 HydrophobicContact CD2-CE2 3.9Å; Y222-Y300 PolarHBondContact O-OH 2.72Å; M223-Y300 HydrophobicContact CG-CE2 3.8Å; M223-Y300 HydrophobicContact SD-CE2 4.39Å; L252-Y300 HydrophobicContact CD2-CD2 3.76Å; V273-Y300 HydrophobicContact CG1-CE1 3.82Å; V273-Y300 HydrophobicContact CG1-CE2 4.36Å; V273-Y300 HydrophobicContact CG2-CD1 3.83Å; V273-Y300 HydrophobicContact CG2-CD2 4.09Å; V273-Y300 HydrophobicContact CG2-CE1 3.95Å; V273-Y300 HydrophobicContact CG2-CE2 4.2Å; V273-Y300 HydrophobicContact CG2-CG 3.93Å; L296-Y300 WeakPolarHBondContact O-CB 3.48Å; L296-Y300 PolarHBondContact O-N 2.89Å; L297-Y300 WeakPolarHBondContact O-CB 3.3Å; L297-Y300 PolarHBondContact O-N 3.41Å; Q298-Y300 VanDerWaalsContact C-N 3.34Å; Y300-S302 VanDerWaalsContact C-N 3.31Å; Y300-S302 PolarHBondContact O-N 3.16Å; Y300-I303 PolarHBondContact O-N 2.85Å; Y300-F304 AromaticContact CD2-CD2 3.78Å; Y300-F304 HydrophobicContact CD2-CD2 3.78Å; Y300-F304 HydrophobicContact CD2-CE2 4.22Å; Y300-F304 HydrophobicContact CE1-CB 4.28Å; Y300-F304 AromaticContact CE2-CD2 3.71Å; Y300-F304 HydrophobicContact CE2-CD2 3.71Å; Y300-F304 HydrophobicContact CE2-CE2 4.2Å; Y300-F304 HydrophobicContact CE2-CG 4.39Å; Y300-F304 HydrophobicContact CG-CD2 4.24Å; Y300-F304 WeakPolarHBondContact O-CD2 3.3Å; Y300-F304 PolarHBondContact O-N 3.29Å; Y300-F304 VanDerWaalsContact O-N 3.11Å
301H98.3Very high97.6Very high71 Ų7159.1 Ų59.133%0.32931%0.307SS..Hα-helixtrans-61.5-37.4-179.8-69.4-62.4000112.7L297 Q298 I303 F304 D305L297-H301 WeakPolarHBondContact CD1-NE2 3.49Å; L297-H301 PolarHBondContact O-CD2 3.32Å; L297-H301 PolarHBondContact O-N 3.22Å; Q298-H301 PolarHBondContact O-N 2.97Å; H301-I303 PolarHBondContact O-N 2.8Å; H301-F304 PolarHBondContact O-N 3.17Å; H301-D305 IonicContact CE1-OD2 3.59Å; H301-D305 IonicContact CG-OD2 2.62Å; H301-D305 VanDerWaalsContact ND1-CG 3.33Å; H301-D305 IonicContact ND1-OD1 3.89Å; H301-D305 PolarHBondContact ND1-OD1 3.3Å; H301-D305 IonicContact ND1-OD2 2.86Å; H301-D305 PolarHBondContact ND1-OD2 3.4Å; H301-D305 WeakPolarHBondContact O-CB 3.45Å; H301-D305 PolarHBondContact O-N 3.45Å
302S98.3Very high97.5Very high79 Ų7954.6 Ų54.655%0.55228%0.282SS*.Hα-helixtrans-62.1-16.6176.976.40000114.9Q298 K299 Y300Q298-S302 WeakPolarHBondContact O-CB 3.21Å; Q298-S302 PolarHBondContact O-N 2.8Å; K299-S302 PolarHBondContact O-N 3.42Å; K299-S302 PolarHBondContact O-OG 3.26Å; Y300-S302 VanDerWaalsContact C-N 3.31Å; Y300-S302 PolarHBondContact O-N 3.16Å
303I98Very high97.5Very high9 Ų956.8 Ų56.85%0.04629%0.294CS..Hα-helixtrans-102.5-36.4-178.5-67.7169.8000111.5K248 E251 L252 K299 Y300 H301K248-I303 HydrophobicContact CB-CG2 3.56Å; K248-I303 HydrophobicContact CD-CG2 3.95Å; K248-I303 HydrophobicContact CG-CG2 3.82Å; K248-I303 PolarHBondContact NZ-O 3.43Å; E251-I303 HydrophobicContact CB-CD1 4.13Å; E251-I303 HydrophobicContact CG-CD1 4.06Å; L252-I303 HydrophobicContact CB-CD1 3.83Å; K299-I303 HydrophobicContact CD-CD1 4.21Å; K299-I303 HydrophobicContact CG-CD1 4.23Å; K299-I303 WeakPolarHBondContact O-CG1 3.3Å; K299-I303 PolarHBondContact O-N 3.2Å; Y300-I303 PolarHBondContact O-N 2.85Å; H301-I303 PolarHBondContact O-N 2.8Å
304F95.6Very high97.5Very high16 Ų1660.8 Ų60.87%0.0731%0.312CS..Hα-helixtrans-115.6-12.1-162.8-69.2-65000115.3M223 Y226 K248 I249 L252 Y300 H301M223-F304 HydrophobicContact CG-CE2 4.35Å; M223-F304 HydrophobicContact CG-CZ 4.41Å; M223-F304 HydrophobicContact SD-CD2 4.46Å; M223-F304 HydrophobicContact SD-CE2 3.48Å; M223-F304 WeakPolarHBondContact SD-CE2 3.48Å; M223-F304 HydrophobicContact SD-CZ 3.52Å; M223-F304 VanDerWaalsContact SD-CZ 3.52Å; Y226-F304 AromaticContact CD1-CD1 3.83Å; Y226-F304 HydrophobicContact CD1-CD1 3.83Å; Y226-F304 HydrophobicContact CD1-CE1 4.29Å; Y226-F304 AromaticContact CD2-CD1 3.53Å; Y226-F304 HydrophobicContact CD2-CD1 3.53Å; Y226-F304 AromaticContact CD2-CE1 3.84Å; Y226-F304 HydrophobicContact CD2-CE1 3.84Å; Y226-F304 HydrophobicContact CD2-CG 4.16Å; Y226-F304 HydrophobicContact CE1-CB 4.37Å; Y226-F304 AromaticContact CE1-CD1 3.82Å; Y226-F304 HydrophobicContact CE1-CD1 3.82Å; Y226-F304 HydrophobicContact CE2-CB 3.84Å; Y226-F304 AromaticContact CE2-CD1 3.56Å; Y226-F304 HydrophobicContact CE2-CD1 3.56Å; Y226-F304 HydrophobicContact CE2-CE1 4.32Å; Y226-F304 AromaticContact CE2-CG 3.81Å; Y226-F304 HydrophobicContact CE2-CG 3.81Å; Y226-F304 AromaticContact CG-CD1 3.68Å; Y226-F304 HydrophobicContact CG-CD1 3.68Å; Y226-F304 AromaticContact CG-CE1 3.83Å; Y226-F304 HydrophobicContact CG-CE1 3.83Å; Y226-F304 AromaticContact CZ-CD1 3.71Å; Y226-F304 PolarHBondContact OH-O 3.4Å; K248-F304 HydrophobicContact CB-CE1 4.21Å; K248-F304 HydrophobicContact CB-CZ 4.27Å; I249-F304 HydrophobicContact CG1-CZ 4.24Å; L252-F304 HydrophobicContact CD2-CE2 4.03Å; Y300-F304 AromaticContact CD2-CD2 3.78Å; Y300-F304 HydrophobicContact CD2-CD2 3.78Å; Y300-F304 HydrophobicContact CD2-CE2 4.22Å; Y300-F304 HydrophobicContact CE1-CB 4.28Å; Y300-F304 AromaticContact CE2-CD2 3.71Å; Y300-F304 HydrophobicContact CE2-CD2 3.71Å; Y300-F304 HydrophobicContact CE2-CE2 4.2Å; Y300-F304 HydrophobicContact CE2-CG 4.39Å; Y300-F304 HydrophobicContact CG-CD2 4.24Å; Y300-F304 WeakPolarHBondContact O-CD2 3.3Å; Y300-F304 PolarHBondContact O-N 3.29Å; Y300-F304 VanDerWaalsContact O-N 3.11Å; H301-F304 PolarHBondContact O-N 3.17Å
305D89.9Confident97.4Very high159 Ų15955.6 Ų55.685%0.8529%0.29SS*.  trans-101.40169.5-61.9-0.7000111.2H301H301-D305 IonicContact CE1-OD2 3.59Å; H301-D305 IonicContact CG-OD2 2.62Å; H301-D305 VanDerWaalsContact ND1-CG 3.33Å; H301-D305 IonicContact ND1-OD1 3.89Å; H301-D305 PolarHBondContact ND1-OD1 3.3Å; H301-D305 IonicContact ND1-OD2 2.86Å; H301-D305 PolarHBondContact ND1-OD2 3.4Å; H301-D305 WeakPolarHBondContact O-CB 3.45Å; H301-D305 PolarHBondContact O-N 3.45Å

Retrieved 305 of 305 residues in 391.5 ms (Link to these results)

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