G4V946_SCHMA Loading...

Macro domain-containing protein

AlphaFold DB , UniProt , Accession G4V946, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 194 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
1M82.9Confident95.1Very high186 Ų18662 Ų6292%0.91636%0.358SS*.  0134.30-175.7-176.1-73.700107
2L94.5Very high94.8Very high84 Ų8457.6 Ų57.644%0.4433%0.334SS..  trans-66.7153.1177.4-59.7-177.7000110.8H38 P94L2-H38 WeakPolarHBondContact CA-O 3.12Å; L2-P94 HydrophobicContact CD1-CB 4.08Å; L2-P94 HydrophobicContact CD2-CB 3.88Å; L2-P94 HydrophobicContact CD2-CG 3.81Å
3K96.8Very high94.4Very high56 Ų5658.3 Ų58.324%0.24334%0.344CS..BIsolated β-bridgetrans-132.4117.5-177.1-71.8-73.6163-1670110.3D7 W32 H38 L39 Q40K3-D7 HydrophobicContact CB-CB 4.22Å; K3-D7 HydrophobicContact CD-CB 3.31Å; K3-D7 HydrophobicContact CG-CB 4.41Å; K3-D7 IonicContact NZ-OD1 2.92Å; K3-D7 PolarHBondContact NZ-OD1 3.21Å; K3-W32 HydrophobicContact CG-CZ2 4.07Å; K3-H38 PolarHBondContact N-O 2.67Å; K3-L39 HydrophobicContact CB-CD2 4Å; K3-L39 CarbonylContact O-C 3.34Å; K3-L39 WeakPolarHBondContact O-CA 3.27Å; K3-Q40 PolarHBondContact O-N 3.15Å
4G97.3Very high93.8Very high16 Ų1660.4 Ų60.417%0.16536%0.358CS..  trans-90.9-179.2173.100000112.1A6 D7 V8G4-A6 PolarHBondContact O-N 3.25Å; G4-D7 PolarHBondContact N-OD2 2.89Å; G4-D7 WeakPolarHBondContact O-CB 3.45Å; G4-D7 PolarHBondContact O-N 3.26Å; G4-V8 PolarHBondContact O-N 3.42Å
5L97.3Very high93Very high52 Ų5260.9 Ų60.927%0.27236%0.361SS..THydrogen-bonded Turntrans-59.6-29.2177.8-65.8-179.2000114D7 V8 I41 R168 I170L5-D7 VanDerWaalsContact C-N 3.33Å; L5-V8 VanDerWaalsContact O-O 3.06Å; L5-I41 HydrophobicContact CD2-CB 4.44Å; L5-I41 HydrophobicContact CD2-CG2 3.58Å; L5-I41 HydrophobicContact CG-CG2 3.95Å; L5-R168 HydrophobicContact CD2-CB 3.92Å; L5-R168 HydrophobicContact CD2-CG 3.89Å; L5-R168 PolarHBondContact O-NH1 3.06Å; L5-I170 HydrophobicContact CD2-CD1 4.06Å
6A95.8Very high91.1Very high106 Ų10667.8 Ų67.888%0.87639%0.385SS*.THydrogen-bonded Turntrans-74-24.7177.600000112.7G4G4-A6 PolarHBondContact O-N 3.25Å
7D96.7Very high89Confident78 Ų7867.4 Ų67.442%0.41738%0.379SS..THydrogen-bonded Turntrans-83-16.7177.2-65.3-86.9000113.3K3 G4 L5K3-D7 HydrophobicContact CB-CB 4.22Å; K3-D7 HydrophobicContact CD-CB 3.31Å; K3-D7 HydrophobicContact CG-CB 4.41Å; K3-D7 IonicContact NZ-OD1 2.92Å; K3-D7 PolarHBondContact NZ-OD1 3.21Å; G4-D7 PolarHBondContact N-OD2 2.89Å; G4-D7 WeakPolarHBondContact O-CB 3.45Å; G4-D7 PolarHBondContact O-N 3.26Å; L5-D7 VanDerWaalsContact C-N 3.33Å
8V97.6Very high86.6Confident2 Ų271.3 Ų71.31%0.01241%0.405CS..SBendtrans-108.1107.5-176.7-178.70000108.7G4 L5 W32 L39 R168 I170G4-V8 PolarHBondContact O-N 3.42Å; L5-V8 VanDerWaalsContact O-O 3.06Å; V8-W32 HydrophobicContact CG1-CB 3.73Å; V8-W32 HydrophobicContact CG1-CG 4.01Å; V8-W32 HydrophobicContact CG2-CD2 4.36Å; V8-W32 HydrophobicContact CG2-CG 4.19Å; V8-L39 HydrophobicContact CG2-CD2 3.97Å; V8-R168 PolarHBondContact O-NH1 3.37Å; V8-I170 HydrophobicContact CB-CD1 4.33Å; V8-I170 HydrophobicContact CG1-CD1 4.16Å; V8-I170 HydrophobicContact CG1-CG1 4.47Å; V8-I170 HydrophobicContact CG1-CG2 4.1Å; V8-I170 HydrophobicContact CG2-CD1 4.42Å
9P96Very high84.5Confident59 Ų5970.2 Ų70.238%0.38341%0.411SS..  trans-64.2146.6-176.427.3-34.6000111.2S13 V14 S30P9-S13 WeakPolarHBondContact CB-OG 3.32Å; P9-V14 HydrophobicContact CB-CG2 3.8Å; P9-V14 HydrophobicContact CG-CG2 3.89Å; P9-S30 VanDerWaalsContact O-CB 3.28Å; P9-S30 WeakPolarHBondContact O-CB 3.42Å; P9-S30 PolarHBondContact O-OG 2.9Å
10T96.7Very high82.7Confident23 Ų2376.1 Ų76.114%0.14144%0.441CS..  trans-75.6155.6169.261.70000109.2S12 S13 V14 S27 I29T10-S12 VanDerWaalsContact C-N 3.3Å; T10-S12 PolarHBondContact O-N 2.87Å; T10-S13 PolarHBondContact N-OG 3.11Å; T10-S13 VanDerWaalsContact N-OG 3.09Å; T10-S13 PolarHBondContact O-N 2.98Å; T10-S13 PolarHBondContact O-OG 3.2Å; T10-S13 WeakPolarHBondContact OG1-CB 3.03Å; T10-S13 PolarHBondContact OG1-N 3.41Å; T10-S13 PolarHBondContact OG1-OG 3.19Å; T10-V14 PolarHBondContact O-N 3.19Å; T10-S27 WeakPolarHBondContact CG2-O 3.31Å; T10-I29 CarbonylContact C-O 3.54Å; T10-I29 WeakPolarHBondContact CA-O 3.21Å
11W94.9Very high81.3Confident20 Ų2076.2 Ų76.28%0.07645%0.446CS..Hα-helixtrans-53.9-50.1178.8-174.7-99.3000111.2S13 V14 V15 G26 I29 L31 E183 I186 P187 L190W11-S13 PolarHBondContact O-N 3.13Å; W11-V14 WeakPolarHBondContact O-CB 3.05Å; W11-V14 PolarHBondContact O-N 3.01Å; W11-V15 HydrophobicContact CZ2-CG1 3.8Å; W11-V15 WeakPolarHBondContact O-CG2 3.46Å; W11-V15 PolarHBondContact O-N 3.46Å; W11-V15 VanDerWaalsContact O-N 3.12Å; W11-G26 WeakPolarHBondContact CB-O 3.5Å; W11-G26 PolarHBondContact N-O 3.27Å; W11-I29 PolarHBondContact N-O 3.46Å; W11-L31 HydrophobicContact CE3-CB 4.24Å; W11-L31 HydrophobicContact CZ3-CB 4.2Å; W11-L31 HydrophobicContact CZ3-CD2 4.08Å; W11-E183 HydrophobicContact CH2-CG 4.23Å; W11-I186 HydrophobicContact CB-CG2 4.5Å; W11-I186 HydrophobicContact CD2-CB 4.2Å; W11-I186 HydrophobicContact CD2-CG2 3.36Å; W11-I186 VanDerWaalsContact CE2-CG2 3.46Å; W11-I186 HydrophobicContact CE3-CB 4.26Å; W11-I186 HydrophobicContact CE3-CD1 3.84Å; W11-I186 HydrophobicContact CE3-CG2 3.81Å; W11-I186 HydrophobicContact CG-CG2 3.65Å; W11-I186 HydrophobicContact CH2-CB 4.23Å; W11-I186 HydrophobicContact CH2-CG2 4.39Å; W11-I186 HydrophobicContact CZ2-CB 4.19Å; W11-I186 HydrophobicContact CZ2-CG2 4.03Å; W11-I186 HydrophobicContact CZ3-CB 4.26Å; W11-I186 HydrophobicContact CZ3-CD1 3.86Å; W11-I186 HydrophobicContact CZ3-CG2 4.29Å; W11-P187 HydrophobicContact CH2-CG 4.44Å; W11-P187 HydrophobicContact CZ2-CG 3.61Å; W11-L190 HydrophobicContact CG-CD1 4.03Å
12S91.5Very high79.9Confident9 Ų970.7 Ų70.76%0.06342%0.422CS..Hα-helixtrans-60.2-29.2178.9-66.10000114.1T10 E17 V22 G26 S27T10-S12 VanDerWaalsContact C-N 3.3Å; T10-S12 PolarHBondContact O-N 2.87Å; S12-E17 VanDerWaalsContact CB-OE2 3.3Å; S12-E17 WeakPolarHBondContact CB-OE2 3.25Å; S12-E17 PolarHBondContact O-N 3.41Å; S12-E17 PolarHBondContact OG-OE2 2.94Å; S12-V22 WeakPolarHBondContact OG-CG1 3.41Å; S12-G26 PolarHBondContact N-O 3.32Å; S12-G26 VanDerWaalsContact N-O 3.12Å; S12-G26 WeakPolarHBondContact OG-CA 3.48Å; S12-G26 PolarHBondContact OG-O 3.38Å; S12-S27 PolarHBondContact OG-N 3.35Å
13S89.5Confident78.6Confident67 Ų6767.5 Ų67.547%0.46941%0.407SS..Hα-helixtrans-73.3-27.9175730000113.2P9 T10 W11P9-S13 WeakPolarHBondContact CB-OG 3.32Å; T10-S13 PolarHBondContact N-OG 3.11Å; T10-S13 VanDerWaalsContact N-OG 3.09Å; T10-S13 PolarHBondContact O-N 2.98Å; T10-S13 PolarHBondContact O-OG 3.2Å; T10-S13 WeakPolarHBondContact OG1-CB 3.03Å; T10-S13 PolarHBondContact OG1-N 3.41Å; T10-S13 PolarHBondContact OG1-OG 3.19Å; W11-S13 PolarHBondContact O-N 3.13Å
14V86Confident78Confident88 Ų8869.3 Ų69.353%0.53342%0.42SS..Hα-helixtrans-77.6-49.3178.2177.50000110.9P9 T10 W11 K16P9-V14 HydrophobicContact CB-CG2 3.8Å; P9-V14 HydrophobicContact CG-CG2 3.89Å; T10-V14 PolarHBondContact O-N 3.19Å; W11-V14 WeakPolarHBondContact O-CB 3.05Å; W11-V14 PolarHBondContact O-N 3.01Å; V14-K16 PolarHBondContact O-N 3.33Å; V14-K16 VanDerWaalsContact O-N 3.1Å
15V81.4Confident77.8Confident67 Ų6769.2 Ų69.241%0.40642%0.415SS..THydrogen-bonded Turntrans-73.1-0.4-177.4-67.20000113.6W11 E17W11-V15 HydrophobicContact CZ2-CG1 3.8Å; W11-V15 WeakPolarHBondContact O-CG2 3.46Å; W11-V15 PolarHBondContact O-N 3.46Å; W11-V15 VanDerWaalsContact O-N 3.12Å; V15-E17 VanDerWaalsContact C-N 3.26Å; V15-E17 HydrophobicContact CG2-CB 4.43Å; V15-E17 HydrophobicContact CG2-CG 3.66Å; V15-E17 PolarHBondContact O-N 3.02Å
16K63.1Low77.5Confident172 Ų17266.8 Ų66.875%0.74840%0.402SS*.THydrogen-bonded Turntrans44.354.4-174.5-62.7-177.7-177.9177.70110.5V14 T18V14-K16 PolarHBondContact O-N 3.33Å; V14-K16 VanDerWaalsContact O-N 3.1Å; K16-T18 VanDerWaalsContact C-N 3.27Å; K16-T18 PolarHBondContact O-N 3.2Å
17E55.2Low77.4Confident61 Ų6163.8 Ų63.829%0.28538%0.375SS..  trans-5894.8173.9-89.5168.2-17800108.7S12 V15 V22S12-E17 VanDerWaalsContact CB-OE2 3.3Å; S12-E17 WeakPolarHBondContact CB-OE2 3.25Å; S12-E17 PolarHBondContact O-N 3.41Å; S12-E17 PolarHBondContact OG-OE2 2.94Å; V15-E17 VanDerWaalsContact C-N 3.26Å; V15-E17 HydrophobicContact CG2-CB 4.43Å; V15-E17 HydrophobicContact CG2-CG 3.66Å; V15-E17 PolarHBondContact O-N 3.02Å; E17-V22 HydrophobicContact CB-CG2 3.98Å; E17-V22 WeakPolarHBondContact OE2-CA 3.5Å
18T44.8Very low77.4Confident137 Ų13760.7 Ų60.784%0.8436%0.358SS*.  trans-86.6109.8176.251.40000108.1K16K16-T18 VanDerWaalsContact C-N 3.27Å; K16-T18 PolarHBondContact O-N 3.2Å
19G48.3Very low77.4Confident51 Ų5160.7 Ų60.753%0.52636%0.358SS..SBendtrans137.8168.8173.800000112.5S21G19-S21 PolarHBondContact O-N 3.17Å
20N48.8Very low77.5Confident188 Ų18857.9 Ų57.9100%1.00534%0.339SS*.THydrogen-bonded Turntrans-62.312.4176.8-81.4-11.8000114.5
21S51.8Low77.6Confident78 Ų7857.3 Ų57.355%0.54534%0.335SS..THydrogen-bonded Turntrans-114.628.6-176.8-174.80000112.3G19 S23G19-S21 PolarHBondContact O-N 3.17Å; S21-S23 PolarHBondContact O-N 3.42Å
22V54.2Low77.7Confident70 Ų7058.5 Ų58.542%0.42434%0.34SS..  trans-60.7110.3160.7176.20000106.7S12 E17 N24S12-V22 WeakPolarHBondContact OG-CG1 3.41Å; E17-V22 HydrophobicContact CB-CG2 3.98Å; E17-V22 WeakPolarHBondContact OE2-CA 3.5Å; V22-N24 PolarHBondContact O-N 3.35Å
23S67.4Low78Confident18 Ų1864 Ų6413%0.12636%0.359CS..  trans-63.1132.3178.2710000108.4S21 L25 G26 S27S21-S23 PolarHBondContact O-N 3.42Å; S23-L25 PolarHBondContact O-N 2.99Å; S23-G26 PolarHBondContact O-N 3.04Å; S23-G26 WeakPolarHBondContact OG-CA 3.19Å; S23-G26 PolarHBondContact OG-N 3.36Å; S23-S27 PolarHBondContact O-N 3.04Å
24N83.3Confident78.4Confident94 Ų9461.7 Ų61.750%0.50335%0.346SS..THydrogen-bonded Turntrans-54-28.3177.8-175.513.9000111.5V22 S27 R28 Q164V22-N24 PolarHBondContact O-N 3.35Å; N24-S27 PolarHBondContact O-OG 3.25Å; N24-R28 VanDerWaalsContact O-CD 3.31Å; N24-R28 WeakPolarHBondContact O-CD 3.2Å; N24-R28 WeakPolarHBondContact O-CG 3.05Å; N24-Q164 PolarHBondContact ND2-OE1 2.8Å
25L92.5Very high78.9Confident14 Ų1460.2 Ų60.27%0.07334%0.335CS..THydrogen-bonded Turntrans-76-40.4174.8-63.8176.1000113S23 S27 R28 I29 L157 L160 K161 L190 Y193S23-L25 PolarHBondContact O-N 2.99Å; L25-S27 PolarHBondContact O-N 3.5Å; L25-R28 CarbonylContact O-C 3.56Å; L25-R28 WeakPolarHBondContact O-CA 3.07Å; L25-R28 PolarHBondContact O-N 3.27Å; L25-I29 VanDerWaalsContact O-CG1 3.3Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.33Å; L25-L157 HydrophobicContact CB-CD2 4.12Å; L25-L157 HydrophobicContact CD1-CD2 4.17Å; L25-L160 HydrophobicContact CD2-CB 3.67Å; L25-K161 HydrophobicContact CD1-CD 4.28Å; L25-K161 HydrophobicContact CD1-CG 3.8Å; L25-K161 HydrophobicContact CD2-CG 4.23Å; L25-K161 HydrophobicContact CG-CG 4.47Å; L25-L190 HydrophobicContact CB-CD2 3.67Å; L25-Y193 HydrophobicContact CD1-CD1 4.35Å; L25-Y193 HydrophobicContact CD1-CG 4.45Å
26G92.4Very high79.8Confident0 Ų057.2 Ų57.20%032%0.317CS..THydrogen-bonded Turntrans-63.1-27.9179.500000113.6W11 S12 S23 R28W11-G26 WeakPolarHBondContact CB-O 3.5Å; W11-G26 PolarHBondContact N-O 3.27Å; S12-G26 PolarHBondContact N-O 3.32Å; S12-G26 VanDerWaalsContact N-O 3.12Å; S12-G26 WeakPolarHBondContact OG-CA 3.48Å; S12-G26 PolarHBondContact OG-O 3.38Å; S23-G26 PolarHBondContact O-N 3.04Å; S23-G26 WeakPolarHBondContact OG-CA 3.19Å; S23-G26 PolarHBondContact OG-N 3.36Å; G26-R28 VanDerWaalsContact C-N 3.29Å
27S94.2Very high81.5Confident44 Ų4449.6 Ų49.631%0.30829%0.285SS..THydrogen-bonded Turntrans-77.4-13.5172.468.40000113.6T10 S12 S23 N24 L25T10-S27 WeakPolarHBondContact CG2-O 3.31Å; S12-S27 PolarHBondContact OG-N 3.35Å; S23-S27 PolarHBondContact O-N 3.04Å; N24-S27 PolarHBondContact O-OG 3.25Å; L25-S27 PolarHBondContact O-N 3.5Å
28R96.2Very high83.5Confident13 Ų1350.3 Ų50.35%0.04929%0.288CS..THydrogen-bonded Turntrans-107.3-8.4-178.3-65.7172.960.1-160.3-8.3113.3N24 L25 G26 L160 H163 Q164 I166 Q167 R168 V169N24-R28 VanDerWaalsContact O-CD 3.31Å; N24-R28 WeakPolarHBondContact O-CD 3.2Å; N24-R28 WeakPolarHBondContact O-CG 3.05Å; L25-R28 CarbonylContact O-C 3.56Å; L25-R28 WeakPolarHBondContact O-CA 3.07Å; L25-R28 PolarHBondContact O-N 3.27Å; G26-R28 VanDerWaalsContact C-N 3.29Å; R28-L160 PolarHBondContact NH1-O 2.9Å; R28-L160 PolarHBondContact NH2-O 3.48Å; R28-H163 PolarHBondContact NH2-O 3.46Å; R28-Q164 VanDerWaalsContact NH1-OE1 3.13Å; R28-I166 VanDerWaalsContact CZ-O 3.26Å; R28-I166 PolarHBondContact NE-O 3.12Å; R28-I166 PolarHBondContact NH2-O 3.1Å; R28-Q167 WeakPolarHBondContact CG-O 3.32Å; R28-R168 CarbonylContact O-C 3.49Å; R28-R168 WeakPolarHBondContact O-CA 3.34Å; R28-R168 WeakPolarHBondContact O-CD 3.27Å; R28-V169 PolarHBondContact O-N 3.18Å
29I97.7Very high86.1Confident1 Ų143.8 Ų43.81%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-103.3140175.4-59-93.8000108.7T10 W11 L25 V156 L157 L160 V169 F171T10-I29 CarbonylContact C-O 3.54Å; T10-I29 WeakPolarHBondContact CA-O 3.21Å; W11-I29 PolarHBondContact N-O 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.3Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.33Å; I29-V156 HydrophobicContact CD1-CG1 3.68Å; I29-L157 HydrophobicContact CD1-CD2 3.59Å; I29-L157 HydrophobicContact CD1-CG 4.38Å; I29-L157 HydrophobicContact CG1-CD2 3.82Å; I29-L160 HydrophobicContact CD1-CD1 3.88Å; I29-L160 HydrophobicContact CG1-CD1 4.34Å; I29-V169 CarbonylContact C-O 3.56Å; I29-V169 WeakPolarHBondContact CA-O 3.21Å; I29-F171 HydrophobicContact CD1-CE2 3.85Å; I29-F171 HydrophobicContact CG2-CD2 3.91Å; I29-F171 HydrophobicContact CG2-CE2 3.87Å
30S98.3Very high88.5Confident0 Ų046.8 Ų46.80%025%0.248CC..EExtended strand (participates in β ladder)trans-126.8141.8167.8-740000109.5P9 R168 V169 I170 F171P9-S30 VanDerWaalsContact O-CB 3.28Å; P9-S30 WeakPolarHBondContact O-CB 3.42Å; P9-S30 PolarHBondContact O-OG 2.9Å; S30-R168 PolarHBondContact OG-NH1 3.3Å; S30-R168 VanDerWaalsContact OG-NH1 3.12Å; S30-V169 PolarHBondContact N-O 3.32Å; S30-I170 CarbonylContact O-C 3.57Å; S30-I170 WeakPolarHBondContact O-CA 3.49Å; S30-F171 PolarHBondContact O-N 3.04Å
31L98.3Very high90.9Very high11 Ų1138.2 Ų38.26%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-107.7122163.9179.561.6000107.6W11 F171 I173 Y179 Y182 E183 I186W11-L31 HydrophobicContact CE3-CB 4.24Å; W11-L31 HydrophobicContact CZ3-CB 4.2Å; W11-L31 HydrophobicContact CZ3-CD2 4.08Å; L31-F171 HydrophobicContact CD1-CB 4.06Å; L31-I173 HydrophobicContact CD1-CG1 3.65Å; L31-Y179 HydrophobicContact CD1-CD2 4.17Å; L31-Y179 HydrophobicContact CD1-CE2 4.25Å; L31-Y179 HydrophobicContact CD2-CD1 4.48Å; L31-Y179 HydrophobicContact CD2-CD2 4.17Å; L31-Y179 HydrophobicContact CD2-CE1 4.13Å; L31-Y179 HydrophobicContact CD2-CE2 3.84Å; L31-Y179 HydrophobicContact CD2-CG 4.5Å; L31-Y179 HydrophobicContact CG-CD2 4Å; L31-Y179 HydrophobicContact CG-CE2 3.59Å; L31-Y182 HydrophobicContact CD1-CG 4.25Å; L31-E183 HydrophobicContact CD2-CB 3.8Å; L31-I186 HydrophobicContact CB-CD1 3.84Å; L31-I186 HydrophobicContact CD1-CD1 4.47Å; L31-I186 HydrophobicContact CD2-CD1 4.09Å; L31-I186 HydrophobicContact CG-CD1 4.34Å
32W97.9Very high93.1Very high45 Ų4535.8 Ų35.817%0.1718%0.183CC..EExtended strand (participates in β ladder)trans-137.2136.7-178.6-175.765.7000111.1K3 V8 L39 I170 F171 C172 I173K3-W32 HydrophobicContact CG-CZ2 4.07Å; V8-W32 HydrophobicContact CG1-CB 3.73Å; V8-W32 HydrophobicContact CG1-CG 4.01Å; V8-W32 HydrophobicContact CG2-CD2 4.36Å; V8-W32 HydrophobicContact CG2-CG 4.19Å; W32-L39 HydrophobicContact CD2-CD2 4.45Å; W32-L39 HydrophobicContact CE3-CD1 4.08Å; W32-L39 HydrophobicContact CE3-CD2 3.85Å; W32-L39 HydrophobicContact CE3-CG 4.2Å; W32-L39 HydrophobicContact CH2-CD2 4.13Å; W32-L39 HydrophobicContact CH2-CG 4.45Å; W32-L39 HydrophobicContact CZ3-CD1 4.01Å; W32-L39 HydrophobicContact CZ3-CD2 3.66Å; W32-L39 HydrophobicContact CZ3-CG 3.76Å; W32-I170 HydrophobicContact CB-CG2 3.88Å; W32-F171 PolarHBondContact N-O 2.9Å; W32-C172 HydrophobicContact CE3-CB 4.36Å; W32-C172 VanDerWaalsContact CZ3-SG 3.58Å; W32-C172 CarbonylContact O-C 3.23Å; W32-C172 WeakPolarHBondContact O-CA 3.43Å; W32-I173 PolarHBondContact O-N 3.28Å
33R97.5Very high95.2Very high125 Ų12532.5 Ų32.547%0.47216%0.163SC..EExtended strand (participates in β ladder)trans-100.4120.9174.7-168.2177.6171.3-171.9-2.5110.7I173 F174 D176 Y179R33-I173 WeakPolarHBondContact CA-O 3.38Å; R33-I173 VanDerWaalsContact CG-O 3.29Å; R33-I173 WeakPolarHBondContact CG-O 3.46Å; R33-F174 PolarHBondContact NE-O 3.4Å; R33-D176 IonicContact CZ-OD1 3.65Å; R33-D176 IonicContact NH1-OD1 2.79Å; R33-D176 PolarHBondContact NH1-OD1 2.9Å; R33-Y179 HydrophobicContact CB-CD2 3.65Å; R33-Y179 HydrophobicContact CB-CE2 3.86Å; R33-Y179 HydrophobicContact CG-CD2 4.32Å
34G96.7Very high96.7Very high19 Ų1931.6 Ų31.620%0.19616%0.157CC..SBendtrans169.4-171177.700000115.1I173G34-I173 PolarHBondContact N-O 3.36Å
35D97.7Very high97.5Very high56 Ų5627.1 Ų27.130%0.29913%0.133SC..  trans-83.3114.8173.3-171.5-22.9000109.3T37 H38D35-T37 PolarHBondContact O-N 3.03Å; D35-T37 VanDerWaalsContact O-N 3.16Å; D35-T37 WeakPolarHBondContact OD1-CB 3.34Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.17Å; D35-T37 PolarHBondContact OD1-N 2.87Å; D35-T37 PolarHBondContact OD1-OG1 3.41Å; D35-T37 PolarHBondContact OD2-OG1 3.02Å; D35-H38 PolarHBondContact O-N 2.72Å; D35-H38 VanDerWaalsContact O-N 3.12Å
36I98.7Very high97.8Very high5 Ų526.5 Ų26.53%0.02613%0.13CC..G310 helixtrans-59.5-25.7-178.8-160172.7000112.4H38 L39 I44 V58 I62 A132 P134 C172I36-H38 PolarHBondContact O-N 3.31Å; I36-L39 HydrophobicContact CG1-CD1 4.09Å; I36-L39 PolarHBondContact O-N 3.16Å; I36-I44 HydrophobicContact CD1-CB 3.98Å; I36-I44 HydrophobicContact CD1-CG2 4.42Å; I36-I44 HydrophobicContact CG1-CB 3.95Å; I36-I44 HydrophobicContact CG1-CG2 3.92Å; I36-I44 HydrophobicContact CG2-CD1 4.48Å; I36-V58 HydrophobicContact CG2-CG2 3.63Å; I36-I62 HydrophobicContact CG2-CD1 4.14Å; I36-I62 HydrophobicContact CG2-CG1 4.16Å; I36-A132 HydrophobicContact CD1-CB 4Å; I36-A132 HydrophobicContact CG1-CB 4.01Å; I36-P134 HydrophobicContact CD1-CB 4.35Å; I36-P134 HydrophobicContact CD1-CG 4.26Å; I36-C172 VanDerWaalsContact CA-SG 3.6Å; I36-C172 HydrophobicContact CB-CB 4.38Å; I36-C172 HydrophobicContact CD1-CB 4.17Å; I36-C172 HydrophobicContact CG1-CB 4.02Å
37T98.7Very high98.1Very high11 Ų1127.8 Ų27.87%0.06714%0.14CC..G310 helixtrans-71.2-11.3-179.568.90000113.5D35 A61 I62 A65 L93 P94D35-T37 PolarHBondContact O-N 3.03Å; D35-T37 VanDerWaalsContact O-N 3.16Å; D35-T37 WeakPolarHBondContact OD1-CB 3.34Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.17Å; D35-T37 PolarHBondContact OD1-N 2.87Å; D35-T37 PolarHBondContact OD1-OG1 3.41Å; D35-T37 PolarHBondContact OD2-OG1 3.02Å; T37-A61 HydrophobicContact CG2-CB 4.2Å; T37-I62 HydrophobicContact CG2-CG1 3.99Å; T37-A65 HydrophobicContact CG2-CB 3.86Å; T37-L93 HydrophobicContact CG2-CD2 4.09Å; T37-P94 WeakPolarHBondContact O-CD 3.44Å; T37-P94 WeakPolarHBondContact O-CG 3.24Å
38H98.5Very high98.3Very high76 Ų7625.8 Ų25.835%0.35213%0.127SC..G310 helixtrans-92.3-3175.8-65.3154.9000113.9L2 K3 D35 I36 Q40L2-H38 WeakPolarHBondContact CA-O 3.12Å; K3-H38 PolarHBondContact N-O 2.67Å; D35-H38 PolarHBondContact O-N 2.72Å; D35-H38 VanDerWaalsContact O-N 3.12Å; I36-H38 PolarHBondContact O-N 3.31Å; H38-Q40 PolarHBondContact O-N 3.35Å
39L98.8Very high98.3Very high0 Ų026.7 Ų26.70%013%0.133CC..BIsolated β-bridgetrans-80.3115.1-177.8-68.4174.5000111.5K3 V8 W32 I36 I41 I44 S95 A132 I170 C172K3-L39 HydrophobicContact CB-CD2 4Å; K3-L39 CarbonylContact O-C 3.34Å; K3-L39 WeakPolarHBondContact O-CA 3.27Å; V8-L39 HydrophobicContact CG2-CD2 3.97Å; W32-L39 HydrophobicContact CD2-CD2 4.45Å; W32-L39 HydrophobicContact CE3-CD1 4.08Å; W32-L39 HydrophobicContact CE3-CD2 3.85Å; W32-L39 HydrophobicContact CE3-CG 4.2Å; W32-L39 HydrophobicContact CH2-CD2 4.13Å; W32-L39 HydrophobicContact CH2-CG 4.45Å; W32-L39 HydrophobicContact CZ3-CD1 4.01Å; W32-L39 HydrophobicContact CZ3-CD2 3.66Å; W32-L39 HydrophobicContact CZ3-CG 3.76Å; I36-L39 HydrophobicContact CG1-CD1 4.09Å; I36-L39 PolarHBondContact O-N 3.16Å; L39-I41 HydrophobicContact CB-CD1 4.23Å; L39-I41 HydrophobicContact CB-CG1 4.14Å; L39-I41 HydrophobicContact CD1-CD1 4.4Å; L39-I41 PolarHBondContact O-N 3.41Å; L39-I44 HydrophobicContact CB-CG2 4.37Å; L39-S95 PolarHBondContact O-N 3.01Å; L39-A132 HydrophobicContact CD1-CB 3.43Å; L39-A132 VanDerWaalsContact CD1-CB 3.43Å; L39-I170 HydrophobicContact CD1-CD1 4.47Å; L39-C172 HydrophobicContact CD1-CB 4.15Å
40Q98.7Very high98.3Very high115 Ų11529.6 Ų29.654%0.53715%0.153SC..  trans-89.773.4176.1-168.2177.1-1.400110K3 H38 P94K3-Q40 PolarHBondContact O-N 3.15Å; H38-Q40 PolarHBondContact O-N 3.35Å; Q40-P94 HydrophobicContact CB-CB 3.93Å; Q40-P94 HydrophobicContact CG-CB 4.1Å
41I98.8Very high98.2Very high8 Ų834.8 Ų34.84%0.04118%0.177CC..SBendtrans-130.9-177.4-177.264.9174.5000110.4L5 L39 A43 I44 S95 K96 A132 I170L5-I41 HydrophobicContact CD2-CB 4.44Å; L5-I41 HydrophobicContact CD2-CG2 3.58Å; L5-I41 HydrophobicContact CG-CG2 3.95Å; L39-I41 HydrophobicContact CB-CD1 4.23Å; L39-I41 HydrophobicContact CB-CG1 4.14Å; L39-I41 HydrophobicContact CD1-CD1 4.4Å; L39-I41 PolarHBondContact O-N 3.41Å; I41-A43 VanDerWaalsContact CD1-O 3.22Å; I41-A43 WeakPolarHBondContact CD1-O 3.4Å; I41-A43 WeakPolarHBondContact CG1-O 3.43Å; I41-I44 HydrophobicContact CD1-CG2 4.29Å; I41-I44 HydrophobicContact CG1-CG2 4.29Å; I41-S95 WeakPolarHBondContact O-CA 3.33Å; I41-K96 PolarHBondContact O-N 3.25Å; I41-A132 HydrophobicContact CD1-CB 3.66Å; I41-I170 HydrophobicContact CD1-CD1 4.19Å; I41-I170 HydrophobicContact CG2-CD1 4.43Å
42D98.9Very high98.1Very high27 Ų2734.3 Ų34.314%0.14417%0.174CC..SBendtrans-68.1-50.3-177.1-61.4-45000112.2K96 Y97 I128 Q129 S130D42-K96 CarbonylContact O-C 3.59Å; D42-K96 WeakPolarHBondContact O-CA 3.19Å; D42-K96 WeakPolarHBondContact O-CB 3.27Å; D42-K96 PolarHBondContact O-N 3.25Å; D42-K96 VanDerWaalsContact O-N 3.1Å; D42-K96 IonicContact OD1-NZ 2.74Å; D42-K96 PolarHBondContact OD1-NZ 3.01Å; D42-Y97 WeakPolarHBondContact O-CD2 3.24Å; D42-Y97 PolarHBondContact O-N 3.14Å; D42-I128 HydrophobicContact CB-CB 4.34Å; D42-I128 HydrophobicContact CB-CG2 3.64Å; D42-Q129 PolarHBondContact OD2-N 3.34Å; D42-S130 WeakPolarHBondContact CB-O 3.35Å; D42-S130 VanDerWaalsContact CG-OG 3.31Å; D42-S130 PolarHBondContact N-OG 2.88Å; D42-S130 PolarHBondContact OD2-N 3Å; D42-S130 PolarHBondContact OD2-OG 3.36Å
43A98.9Very high97.9Very high0 Ų039.6 Ų39.60%020%0.195CC..EExtended strand (participates in β ladder)trans-137150.8179.500000113.7I41 Y97 I99 I128 S130 I131 A132I41-A43 VanDerWaalsContact CD1-O 3.22Å; I41-A43 WeakPolarHBondContact CD1-O 3.4Å; I41-A43 WeakPolarHBondContact CG1-O 3.43Å; A43-Y97 WeakPolarHBondContact CA-O 3.44Å; A43-I99 HydrophobicContact CB-CD1 3.91Å; A43-I99 HydrophobicContact CB-CG1 4.41Å; A43-I128 HydrophobicContact CB-CD1 4.17Å; A43-I128 HydrophobicContact CB-CG2 3.58Å; A43-S130 PolarHBondContact N-O 2.89Å; A43-I131 HydrophobicContact CB-CG1 4.35Å; A43-I131 VanDerWaalsContact O-CA 3.27Å; A43-I131 WeakPolarHBondContact O-CA 3.4Å; A43-A132 PolarHBondContact O-N 3.37Å; A43-A132 VanDerWaalsContact O-N 3.09Å
44I98.9Very high97.5Very high0 Ų034.3 Ų34.30%018%0.179CC..EExtended strand (participates in β ladder)trans-119.8141.5163.464.3175.8000109.5I36 L39 I41 I62 L93 Y97 V98 I99 A132I36-I44 HydrophobicContact CD1-CB 3.98Å; I36-I44 HydrophobicContact CD1-CG2 4.42Å; I36-I44 HydrophobicContact CG1-CB 3.95Å; I36-I44 HydrophobicContact CG1-CG2 3.92Å; I36-I44 HydrophobicContact CG2-CD1 4.48Å; L39-I44 HydrophobicContact CB-CG2 4.37Å; I41-I44 HydrophobicContact CD1-CG2 4.29Å; I41-I44 HydrophobicContact CG1-CG2 4.29Å; I44-I62 HydrophobicContact CD1-CD1 4.13Å; I44-I62 HydrophobicContact CD1-CG1 4.03Å; I44-L93 HydrophobicContact CD1-CD1 3.89Å; I44-L93 HydrophobicContact CD1-CD2 4.14Å; I44-Y97 PolarHBondContact N-O 3.36Å; I44-Y97 VanDerWaalsContact N-O 3.09Å; I44-V98 HydrophobicContact CG1-CG2 4.18Å; I44-V98 WeakPolarHBondContact O-CA 3.32Å; I44-I99 PolarHBondContact O-N 2.8Å; I44-A132 HydrophobicContact CG2-CB 4.26Å
45A98.9Very high97.3Very high0 Ų035.7 Ų35.70%019%0.193CC..EExtended strand (participates in β ladder)trans-83.5141.3172.400000110.4I99 I131 A132 F133 P134A45-I99 CarbonylContact C-O 3.52Å; A45-I99 VanDerWaalsContact CA-O 3.28Å; A45-I99 WeakPolarHBondContact CA-O 3.42Å; A45-I131 HydrophobicContact CB-CD1 4.47Å; A45-A132 WeakPolarHBondContact CB-O 3.41Å; A45-A132 PolarHBondContact N-O 3.47Å; A45-F133 HydrophobicContact CB-CD1 3.41Å; A45-F133 VanDerWaalsContact CB-CD1 3.41Å; A45-F133 HydrophobicContact CB-CE1 3.8Å; A45-F133 HydrophobicContact CB-CG 4.28Å; A45-P134 VanDerWaalsContact O-CD 3.28Å; A45-P134 WeakPolarHBondContact O-CD 3.46Å
46N98.8Very high97.1Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-109.4128172.1178.49.4000109.4A48 D59 I62 V98 I99 H100 C101N46-A48 VanDerWaalsContact C-N 3.31Å; N46-A48 PolarHBondContact O-N 3.3Å; N46-D59 PolarHBondContact ND2-OD1 2.91Å; N46-D59 WeakPolarHBondContact OD1-CA 3.2Å; N46-D59 WeakPolarHBondContact OD1-CB 3.43Å; N46-D59 PolarHBondContact OD1-OD1 3.16Å; N46-I62 HydrophobicContact CB-CD1 3.58Å; N46-I62 HydrophobicContact CB-CG2 4.49Å; N46-V98 HydrophobicContact CB-CG1 3.76Å; N46-I99 PolarHBondContact N-O 3.47Å; N46-H100 PolarHBondContact ND2-ND1 3.04Å; N46-C101 WeakPolarHBondContact O-CB 3.36Å; N46-C101 PolarHBondContact O-N 3.44Å
47A98.3Very high97Very high27 Ų2738.7 Ų38.722%0.22324%0.238CC..EExtended strand (participates in β ladder)trans-77.183.9169.200000109.7V58 P134 I136A47-V58 HydrophobicContact CB-CG1 3.74Å; A47-P134 HydrophobicContact CB-CG 4.49Å; A47-I136 HydrophobicContact CB-CG1 4.24Å
48A98.3Very high96.9Very high2 Ų240 Ų402%0.01725%0.246CC..  trans-94.4159.6-169.400000112.8N46 L52 H100 C101 V102N46-A48 VanDerWaalsContact C-N 3.31Å; N46-A48 PolarHBondContact O-N 3.3Å; A48-L52 HydrophobicContact CB-CD2 3.83Å; A48-H100 HydrophobicContact CB-CB 4.11Å; A48-C101 PolarHBondContact N-O 2.72Å; A48-V102 HydrophobicContact CB-CG2 4.48Å
49N96.8Very high96.9Very high33 Ų3336.9 Ų36.918%0.17623%0.232CC..  trans-86.5158.816664.880.8000111.5Q51 L52 G54 Y141N49-Q51 PolarHBondContact O-N 3.39Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.37Å; N49-Q51 PolarHBondContact OD1-N 3.35Å; N49-Q51 VanDerWaalsContact OD1-N 3.16Å; N49-L52 WeakPolarHBondContact O-CD2 3.5Å; N49-L52 PolarHBondContact O-N 2.91Å; N49-L52 PolarHBondContact OD1-N 2.92Å; N49-G54 PolarHBondContact ND2-O 3.48Å; N49-Y141 WeakPolarHBondContact CA-OH 3.33Å; N49-Y141 WeakPolarHBondContact CB-OH 3.46Å
50S97.3Very high96.9Very high61 Ų6137 Ų3743%0.42723%0.234SC..THydrogen-bonded Turntrans-61.3-18.5-17558.70000115.3G79 C80S50-G79 CarbonylContact O-C 3.48Å; S50-G79 WeakPolarHBondContact O-CA 3.17Å; S50-C80 WeakPolarHBondContact CA-O 3.18Å; S50-C80 WeakPolarHBondContact CB-O 3.31Å; S50-C80 PolarHBondContact O-N 2.84Å
51Q97.1Very high96.9Very high109 Ų10932.4 Ų32.451%0.50922%0.215SC..THydrogen-bonded Turntrans-82-16.9175.4-56.3-175-16.800112.7N49 R53N49-Q51 PolarHBondContact O-N 3.39Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.37Å; N49-Q51 PolarHBondContact OD1-N 3.35Å; N49-Q51 VanDerWaalsContact OD1-N 3.16Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 HydrophobicContact CB-CB 4.41Å; Q51-R53 HydrophobicContact CB-CG 4Å; Q51-R53 PolarHBondContact O-N 3.03Å
52L96.8Very high96.9Very high1 Ų132 Ų321%0.00521%0.213CC..  trans56.337.3-175.1-54.8-178.9000113.4A48 N49 C74 L77 C80 K86 H100 V102A48-L52 HydrophobicContact CB-CD2 3.83Å; N49-L52 WeakPolarHBondContact O-CD2 3.5Å; N49-L52 PolarHBondContact O-N 2.91Å; N49-L52 PolarHBondContact OD1-N 2.92Å; L52-C74 HydrophobicContact CB-CB 3.96Å; L52-C74 WeakPolarHBondContact O-CB 3.47Å; L52-L77 HydrophobicContact CD1-CB 3.93Å; L52-L77 HydrophobicContact CD1-CD1 3.78Å; L52-C80 HydrophobicContact CD1-CB 3.87Å; L52-C80 HydrophobicContact CD2-CB 4.03Å; L52-C80 HydrophobicContact CG-CB 4.07Å; L52-K86 HydrophobicContact CD1-CD 4.28Å; L52-H100 HydrophobicContact CD2-CB 3.72Å; L52-V102 HydrophobicContact CD2-CG2 4.12Å
53R92.3Very high96.9Very high157 Ų15732 Ų3259%0.59221%0.212SC*.SBendtrans-103.212.9-174.7-71.3177.4177154.4-5.3114.3Q51 L71Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 HydrophobicContact CB-CB 4.41Å; Q51-R53 HydrophobicContact CB-CG 4Å; Q51-R53 PolarHBondContact O-N 3.03Å; R53-L71 HydrophobicContact CB-CD1 4.48Å
54G90.2Very high96.9Very high14 Ų1440.7 Ų40.714%0.14425%0.245CC..  trans73.4-177.6-169.400000112.6N49 D59 H63N49-G54 PolarHBondContact ND2-O 3.48Å; G54-D59 WeakPolarHBondContact CA-OD2 3.33Å; G54-H63 VanDerWaalsContact CA-CD2 3.48Å; G54-H63 WeakPolarHBondContact CA-CD2 3.39Å; G54-H63 WeakPolarHBondContact CA-NE2 3.48Å; G54-H63 PolarHBondContact N-NE2 2.81Å
55G92.1Very high96.8Very high48 Ų4842.4 Ų42.450%0.49526%0.259SS..  trans176.3-151.1-17200000112.6D59 G60G55-D59 PolarHBondContact N-OD2 2.7Å; G55-G60 WeakPolarHBondContact O-CA 3.26Å; G55-G60 PolarHBondContact O-N 3.23Å
56G93.7Very high96.8Very high59 Ų5942.4 Ų42.461%0.60826%0.259SS*.SBendtrans-91.9-171.9174.600000113.2D59 G60G56-D59 PolarHBondContact O-N 2.91Å; G56-G60 PolarHBondContact O-N 3.41Å
57G95.6Very high96.8Very high64 Ų6443.3 Ų43.366%0.6627%0.269SS*.Hα-helixtrans58.2-139.4173.700000113.7D59 G60 A61G57-D59 VanDerWaalsContact C-N 3.31Å; G57-D59 PolarHBondContact O-N 3.22Å; G57-G60 PolarHBondContact O-N 3.2Å; G57-A61 PolarHBondContact O-N 3.49Å
58V97.8Very high96.8Very high40 Ų4046.2 Ų46.224%0.24229%0.287CS..Hα-helixtrans-63.9-35.1179.369.10000112.3I36 A47 A61 I62 P134I36-V58 HydrophobicContact CG2-CG2 3.63Å; A47-V58 HydrophobicContact CB-CG1 3.74Å; V58-A61 PolarHBondContact O-N 3.27Å; V58-I62 HydrophobicContact CG2-CD1 3.94Å; V58-I62 HydrophobicContact CG2-CG1 4.35Å; V58-I62 WeakPolarHBondContact O-CB 3.19Å; V58-I62 WeakPolarHBondContact O-CG1 3.38Å; V58-I62 PolarHBondContact O-N 3.42Å; V58-P134 HydrophobicContact CG1-CB 4.34Å; V58-P134 HydrophobicContact CG1-CG 4.22Å; V58-P134 HydrophobicContact CG2-CB 4.09Å; V58-P134 HydrophobicContact CG2-CG 4.23Å
59D98.3Very high96.8Very high9 Ų950.6 Ų50.65%0.04831%0.307CS..Hα-helixtrans-62-48176.5-174.829.2000111.1N46 G54 G55 G56 G57 A61 I62 H63N46-D59 PolarHBondContact ND2-OD1 2.91Å; N46-D59 WeakPolarHBondContact OD1-CA 3.2Å; N46-D59 WeakPolarHBondContact OD1-CB 3.43Å; N46-D59 PolarHBondContact OD1-OD1 3.16Å; G54-D59 WeakPolarHBondContact CA-OD2 3.33Å; G55-D59 PolarHBondContact N-OD2 2.7Å; G56-D59 PolarHBondContact O-N 2.91Å; G57-D59 VanDerWaalsContact C-N 3.31Å; G57-D59 PolarHBondContact O-N 3.22Å; D59-A61 VanDerWaalsContact C-N 3.34Å; D59-A61 PolarHBondContact O-N 3.1Å; D59-I62 PolarHBondContact O-N 3.09Å; D59-H63 PolarHBondContact O-CD2 3.12Å; D59-H63 PolarHBondContact O-N 2.91Å; D59-H63 IonicContact OD1-CD2 3.25Å; D59-H63 PolarHBondContact OD1-CD2 2.91Å; D59-H63 VanDerWaalsContact OD1-CD2 3.25Å; D59-H63 IonicContact OD1-NE2 3.6Å
60G98.2Very high96.9Very high4 Ų449 Ų494%0.04130%0.299CS..Hα-helixtrans-62-38.5173.400000113.3G55 G56 G57 R64G55-G60 WeakPolarHBondContact O-CA 3.26Å; G55-G60 PolarHBondContact O-N 3.23Å; G56-G60 PolarHBondContact O-N 3.41Å; G57-G60 PolarHBondContact O-N 3.2Å; G60-R64 VanDerWaalsContact C-NH1 3.32Å; G60-R64 WeakPolarHBondContact O-CB 3.38Å; G60-R64 VanDerWaalsContact O-CG 3.31Å; G60-R64 WeakPolarHBondContact O-CG 3.18Å; G60-R64 PolarHBondContact O-N 3.28Å; G60-R64 PolarHBondContact O-NH1 2.91Å
61A98.6Very high96.9Very high18 Ų1848.9 Ų48.915%0.14929%0.293CS..Hα-helixtrans-63.8-47.3176.700000111.6T37 G57 V58 D59 R64 A65T37-A61 HydrophobicContact CG2-CB 4.2Å; G57-A61 PolarHBondContact O-N 3.49Å; V58-A61 PolarHBondContact O-N 3.27Å; D59-A61 VanDerWaalsContact C-N 3.34Å; D59-A61 PolarHBondContact O-N 3.1Å; A61-R64 PolarHBondContact O-N 2.78Å; A61-A65 WeakPolarHBondContact O-CB 3.2Å; A61-A65 PolarHBondContact O-N 3.03Å
62I98.8Very high97Very high0 Ų048.5 Ų48.50%029%0.291CS..Hα-helixtrans-61-46.9177.5-71.9172.6000110.7I36 T37 I44 N46 V58 D59 R64 A65 A66 L70 L93 V98I36-I62 HydrophobicContact CG2-CD1 4.14Å; I36-I62 HydrophobicContact CG2-CG1 4.16Å; T37-I62 HydrophobicContact CG2-CG1 3.99Å; I44-I62 HydrophobicContact CD1-CD1 4.13Å; I44-I62 HydrophobicContact CD1-CG1 4.03Å; N46-I62 HydrophobicContact CB-CD1 3.58Å; N46-I62 HydrophobicContact CB-CG2 4.49Å; V58-I62 HydrophobicContact CG2-CD1 3.94Å; V58-I62 HydrophobicContact CG2-CG1 4.35Å; V58-I62 WeakPolarHBondContact O-CB 3.19Å; V58-I62 WeakPolarHBondContact O-CG1 3.38Å; V58-I62 PolarHBondContact O-N 3.42Å; D59-I62 PolarHBondContact O-N 3.09Å; I62-R64 PolarHBondContact O-N 2.9Å; I62-A65 PolarHBondContact O-N 3.16Å; I62-A66 VanDerWaalsContact O-CB 3.25Å; I62-A66 WeakPolarHBondContact O-CB 3.48Å; I62-A66 PolarHBondContact O-N 2.81Å; I62-L70 HydrophobicContact CG2-CD2 3.81Å; I62-L93 HydrophobicContact CG2-CD1 4.17Å; I62-V98 HydrophobicContact CG2-CG1 4.02Å; I62-V98 HydrophobicContact CG2-CG2 4.09Å
63H98.7Very high97Very high25 Ų2549.3 Ų49.312%0.11630%0.298CS..Hα-helixtrans-61.9-41.9177.1-88.9-89.8000113.3G54 D59 G67G54-H63 VanDerWaalsContact CA-CD2 3.48Å; G54-H63 WeakPolarHBondContact CA-CD2 3.39Å; G54-H63 WeakPolarHBondContact CA-NE2 3.48Å; G54-H63 PolarHBondContact N-NE2 2.81Å; D59-H63 PolarHBondContact O-CD2 3.12Å; D59-H63 PolarHBondContact O-N 2.91Å; D59-H63 IonicContact OD1-CD2 3.25Å; D59-H63 PolarHBondContact OD1-CD2 2.91Å; D59-H63 VanDerWaalsContact OD1-CD2 3.25Å; D59-H63 IonicContact OD1-NE2 3.6Å; H63-G67 PolarHBondContact O-N 3Å; H63-G67 VanDerWaalsContact O-N 3.13Å
64R98.7Very high97.3Very high184 Ų18441.9 Ų41.969%0.69427%0.27SS*.Hα-helixtrans-64.5-41.5176.8-75.3-171.7-56.6-85.71.1112.1G60 A61 I62G60-R64 VanDerWaalsContact C-NH1 3.32Å; G60-R64 WeakPolarHBondContact O-CB 3.38Å; G60-R64 VanDerWaalsContact O-CG 3.31Å; G60-R64 WeakPolarHBondContact O-CG 3.18Å; G60-R64 PolarHBondContact O-N 3.28Å; G60-R64 PolarHBondContact O-NH1 2.91Å; A61-R64 PolarHBondContact O-N 2.78Å; I62-R64 PolarHBondContact O-N 2.9Å
65A98.6Very high97.6Very high36 Ų3647 Ų4730%0.29829%0.29SS..Hα-helixtrans-73.4-37.8-178.700000112.6T37 A61 I62 N92 L93T37-A65 HydrophobicContact CG2-CB 3.86Å; A61-A65 WeakPolarHBondContact O-CB 3.2Å; A61-A65 PolarHBondContact O-N 3.03Å; I62-A65 PolarHBondContact O-N 3.16Å; A65-N92 VanDerWaalsContact O-CB 3.32Å; A65-N92 WeakPolarHBondContact O-CB 3.35Å; A65-L93 HydrophobicContact CB-CD2 3.57Å; A65-L93 HydrophobicContact CB-CG 4.44Å
66A98.7Very high97.9Very high0 Ų052.8 Ų52.80%030%0.302CS..Hα-helixtrans-75.1-26.5179.800000113.6I62 L70 F91 N92 L93I62-A66 VanDerWaalsContact O-CB 3.25Å; I62-A66 WeakPolarHBondContact O-CB 3.48Å; I62-A66 PolarHBondContact O-N 2.81Å; A66-L70 HydrophobicContact CB-CB 3.72Å; A66-L70 HydrophobicContact CB-CD2 3.63Å; A66-L70 HydrophobicContact CB-CG 4.17Å; A66-F91 HydrophobicContact CB-CB 4.45Å; A66-F91 WeakPolarHBondContact O-CB 3.37Å; A66-N92 WeakPolarHBondContact O-CB 3.37Å; A66-N92 PolarHBondContact O-N 3.09Å; A66-N92 PolarHBondContact O-ND2 2.87Å; A66-L93 HydrophobicContact CB-CD1 3.81Å; A66-L93 HydrophobicContact CB-CG 3.91Å
67G98.5Very high98Very high19 Ų1952 Ų5220%0.19628%0.284CS..  trans86.6177.6-176.100000113.8H63 Q69 L70H63-G67 PolarHBondContact O-N 3Å; H63-G67 VanDerWaalsContact O-N 3.13Å; G67-Q69 PolarHBondContact O-N 3.23Å; G67-Q69 VanDerWaalsContact O-N 3.15Å; G67-L70 PolarHBondContact O-N 3.34Å
68S97.8Very high97.9Very high88 Ų8854.5 Ų54.562%0.61529%0.291SS*.Hα-helixtrans-60.2-28.3-172.758.70000113.9L70 L71 E72S68-L70 PolarHBondContact O-N 2.75Å; S68-L71 PolarHBondContact O-N 3.27Å; S68-E72 PolarHBondContact O-N 2.88Å
69Q98.5Very high97.8Very high94 Ų9453.2 Ų53.244%0.43929%0.286SS..Hα-helixtrans-60.6-27.9179.7-62176.6-95.700112.9G67 E72 A73 F91G67-Q69 PolarHBondContact O-N 3.23Å; G67-Q69 VanDerWaalsContact O-N 3.15Å; Q69-E72 PolarHBondContact O-N 2.76Å; Q69-A73 WeakPolarHBondContact O-CB 3.37Å; Q69-A73 PolarHBondContact O-N 2.75Å; Q69-F91 HydrophobicContact CB-CB 4.45Å; Q69-F91 HydrophobicContact CB-CD1 3.31Å; Q69-F91 HydrophobicContact CB-CD2 4.39Å; Q69-F91 HydrophobicContact CB-CE1 3.54Å; Q69-F91 HydrophobicContact CB-CG 3.78Å; Q69-F91 HydrophobicContact CB-CZ 4.2Å; Q69-F91 HydrophobicContact CG-CD1 4.25Å; Q69-F91 WeakPolarHBondContact O-CZ 3.31Å
70L98.6Very high97.9Very high0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-64.4-43.3174.6-174.565.6000111.5I62 A66 G67 S68 A73 C74 T88 F91 V98I62-L70 HydrophobicContact CG2-CD2 3.81Å; A66-L70 HydrophobicContact CB-CB 3.72Å; A66-L70 HydrophobicContact CB-CD2 3.63Å; A66-L70 HydrophobicContact CB-CG 4.17Å; G67-L70 PolarHBondContact O-N 3.34Å; S68-L70 PolarHBondContact O-N 2.75Å; L70-A73 PolarHBondContact O-N 2.83Å; L70-C74 WeakPolarHBondContact O-CB 3.49Å; L70-C74 PolarHBondContact O-N 3.3Å; L70-C74 PolarHBondContact O-SG 2.89Å; L70-T88 WeakPolarHBondContact CD1-OG1 3.28Å; L70-F91 VanDerWaalsContact CA-CE2 3.43Å; L70-F91 HydrophobicContact CB-CD2 3.8Å; L70-F91 HydrophobicContact CB-CE2 4.06Å; L70-F91 HydrophobicContact CD1-CD2 3.86Å; L70-F91 HydrophobicContact CD1-CE2 3.74Å; L70-F91 HydrophobicContact CG-CD2 4.46Å; L70-V98 HydrophobicContact CD1-CB 4.44Å; L70-V98 HydrophobicContact CD1-CG2 4.41Å
71L97.8Very high97.9Very high58 Ų5856.6 Ų56.630%0.30431%0.308SS..Hα-helixtrans-65.2-41.5177.8-179.361.4000111.2R53 S68 A73 C74 Q75R53-L71 HydrophobicContact CB-CD1 4.48Å; S68-L71 PolarHBondContact O-N 3.27Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 3.02Å; L71-C74 PolarHBondContact O-N 3.28Å; L71-Q75 HydrophobicContact CD1-CG 4.46Å; L71-Q75 VanDerWaalsContact O-CG 3.27Å; L71-Q75 WeakPolarHBondContact O-CG 3.28Å; L71-Q75 PolarHBondContact O-N 3.48Å
72E98Very high97.9Very high100 Ų10059.4 Ų59.447%0.46732%0.323SS..Hα-helixtrans-60.8-39.1175.8-66.3170.8-159.300112S68 Q69 K76S68-E72 PolarHBondContact O-N 2.88Å; Q69-E72 PolarHBondContact O-N 2.76Å; E72-K76 WeakPolarHBondContact O-CG 3.37Å
73A98.4Very high97.9Very high18 Ų1859.8 Ų59.815%0.14933%0.327CS..Hα-helixtrans-68.1-45.2174.300000111.9Q69 L70 L71 Q75 K76 T88 F91Q69-A73 WeakPolarHBondContact O-CB 3.37Å; Q69-A73 PolarHBondContact O-N 2.75Å; L70-A73 PolarHBondContact O-N 2.83Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 3.02Å; A73-Q75 VanDerWaalsContact C-N 3.31Å; A73-Q75 PolarHBondContact O-N 3.27Å; A73-K76 WeakPolarHBondContact O-CB 3.43Å; A73-K76 PolarHBondContact O-N 3Å; A73-K76 VanDerWaalsContact O-N 3.11Å; A73-T88 HydrophobicContact CB-CG2 4.1Å; A73-F91 HydrophobicContact CB-CE2 3.93Å; A73-F91 HydrophobicContact CB-CZ 3.63Å
74C98Very high97.9Very high2 Ų260.7 Ų60.71%0.01433%0.333CS..Hα-helixtrans-61.8-36.5177.2-70.80000113.1L52 L70 L71 K76 L77 H100L52-C74 HydrophobicContact CB-CB 3.96Å; L52-C74 WeakPolarHBondContact O-CB 3.47Å; L70-C74 WeakPolarHBondContact O-CB 3.49Å; L70-C74 PolarHBondContact O-N 3.3Å; L70-C74 PolarHBondContact O-SG 2.89Å; L71-C74 PolarHBondContact O-N 3.28Å; C74-K76 PolarHBondContact O-N 2.74Å; C74-L77 WeakPolarHBondContact O-CB 3.5Å; C74-L77 PolarHBondContact O-N 2.92Å; C74-H100 PolarHBondContact SG-CE1 2.83Å; C74-H100 PolarHBondContact SG-NE2 2.79Å
75Q96.5Very high97.9Very high121 Ų12152.2 Ų52.257%0.56530%0.302SS*.Hα-helixtrans-60.3-31.8175.9-77.1171.9-11.800112.4L71 A73 L77L71-Q75 HydrophobicContact CD1-CG 4.46Å; L71-Q75 VanDerWaalsContact O-CG 3.27Å; L71-Q75 WeakPolarHBondContact O-CG 3.28Å; L71-Q75 PolarHBondContact O-N 3.48Å; A73-Q75 VanDerWaalsContact C-N 3.31Å; A73-Q75 PolarHBondContact O-N 3.27Å; Q75-L77 VanDerWaalsContact C-N 3.28Å; Q75-L77 PolarHBondContact O-N 3.2Å
76K97.3Very high97.9Very high169 Ų16953.2 Ų53.274%0.73530%0.3SS*.Hα-helixtrans-75.3-15.2176.6-63168.8-173.3173.50113.2E72 A73 C74 S78E72-K76 WeakPolarHBondContact O-CG 3.37Å; A73-K76 WeakPolarHBondContact O-CB 3.43Å; A73-K76 PolarHBondContact O-N 3Å; A73-K76 VanDerWaalsContact O-N 3.11Å; C74-K76 PolarHBondContact O-N 2.74Å; K76-S78 VanDerWaalsContact C-N 3.34Å
77L96.4Very high97.9Very high44 Ų4454.7 Ų54.723%0.2331%0.308CS..THydrogen-bonded Turntrans-80.6-12.8179.4-64.1179.2000113.5L52 C74 Q75 G79 K86 T88L52-L77 HydrophobicContact CD1-CB 3.93Å; L52-L77 HydrophobicContact CD1-CD1 3.78Å; C74-L77 WeakPolarHBondContact O-CB 3.5Å; C74-L77 PolarHBondContact O-N 2.92Å; Q75-L77 VanDerWaalsContact C-N 3.28Å; Q75-L77 PolarHBondContact O-N 3.2Å; L77-G79 VanDerWaalsContact C-N 3.34Å; L77-G79 PolarHBondContact O-N 3.02Å; L77-K86 HydrophobicContact CB-CD 3.89Å; L77-K86 HydrophobicContact CD1-CB 3.76Å; L77-K86 HydrophobicContact CD1-CD 4.14Å; L77-K86 HydrophobicContact CD2-CD 4.3Å; L77-K86 HydrophobicContact CG-CD 4.35Å; L77-K86 PolarHBondContact O-NZ 2.71Å; L77-T88 HydrophobicContact CD1-CG2 3.67Å; L77-T88 HydrophobicContact CG-CG2 4.46Å
78S94.3Very high97.9Very high115 Ų11554 Ų5480%0.80430%0.3SS*.THydrogen-bonded Turntrans56.541.9-178.6-58.80000113.8K76K76-S78 VanDerWaalsContact C-N 3.34Å
79G96.3Very high97.9Very high14 Ų1453.1 Ų53.114%0.14429%0.292CS..  trans76.8-176.4179.600000114S50 L77 K86S50-G79 CarbonylContact O-C 3.48Å; S50-G79 WeakPolarHBondContact O-CA 3.17Å; L77-G79 VanDerWaalsContact C-N 3.34Å; L77-G79 PolarHBondContact O-N 3.02Å; G79-K86 WeakPolarHBondContact O-CD 3.38Å; G79-K86 VanDerWaalsContact O-CE 3.26Å; G79-K86 WeakPolarHBondContact O-CE 3.38Å; G79-K86 PolarHBondContact O-NZ 3.39Å
80C98.4Very high97.9Very high5 Ų548.7 Ų48.73%0.03427%0.271CS..  trans-151.2129.6176.9175.90000109.3S50 L52 D84 K86 V102S50-C80 WeakPolarHBondContact CA-O 3.18Å; S50-C80 WeakPolarHBondContact CB-O 3.31Å; S50-C80 PolarHBondContact O-N 2.84Å; L52-C80 HydrophobicContact CD1-CB 3.87Å; L52-C80 HydrophobicContact CD2-CB 4.03Å; L52-C80 HydrophobicContact CG-CB 4.07Å; C80-D84 VanDerWaalsContact SG-C 3.54Å; C80-K86 HydrophobicContact CB-CD 4.11Å; C80-K86 HydrophobicContact CB-CG 4.18Å; C80-V102 HydrophobicContact CB-CG2 3.7Å
81P98.4Very high97.9Very high78 Ų7851.8 Ų51.851%0.50629%0.285SS..  trans-70.3156.4-179.729.9-33.6000111.4G83 D84P81-G83 PolarHBondContact O-N 3.4Å; P81-D84 HydrophobicContact CG-CB 3.83Å; P81-D84 WeakPolarHBondContact O-CB 3.21Å; P81-D84 PolarHBondContact O-N 3.49Å
82T98.6Very high98Very high77 Ų7754.5 Ų54.547%0.47230%0.299SS..THydrogen-bonded Turntrans-58136.7171.7-65.60000111.1V102 P104 A111T82-V102 CarbonylContact C-O 3.56Å; T82-V102 WeakPolarHBondContact CA-O 3.43Å; T82-P104 HydrophobicContact CG2-CB 3.99Å; T82-A111 HydrophobicContact CG2-CB 4.15Å
83G98.7Very high98Very high8 Ų850.3 Ų50.38%0.08228%0.28CS..THydrogen-bonded Turntrans89.56.3-176.800000114.3P81 V102 A111 S114 T115P81-G83 PolarHBondContact O-N 3.4Å; G83-V102 PolarHBondContact N-O 3.11Å; G83-A111 WeakPolarHBondContact CA-O 3.31Å; G83-S114 CarbonylContact O-C 3.54Å; G83-S114 VanDerWaalsContact O-C 3.23Å; G83-S114 VanDerWaalsContact O-CB 3.23Å; G83-S114 WeakPolarHBondContact O-CB 3.33Å; G83-S114 PolarHBondContact O-OG 2.82Å; G83-T115 VanDerWaalsContact CA-OG1 3.32Å; G83-T115 WeakPolarHBondContact CA-OG1 3.36Å; G83-T115 PolarHBondContact O-N 3.02Å
84D98.8Very high98Very high45 Ų4551.2 Ų51.224%0.24129%0.285CS..EExtended strand (participates in β ladder)trans-129170.7-174.8-160.110.3000111.5C80 P81 V102 K118C80-D84 VanDerWaalsContact SG-C 3.54Å; P81-D84 HydrophobicContact CG-CB 3.83Å; P81-D84 WeakPolarHBondContact O-CB 3.21Å; P81-D84 PolarHBondContact O-N 3.49Å; D84-V102 PolarHBondContact O-N 3.27Å; D84-K118 WeakPolarHBondContact OD1-CD 3.27Å
85A98.9Very high98.1Very high6 Ų651.3 Ų51.35%0.0529%0.285CS..EExtended strand (participates in β ladder)trans-141.7154.1178.100000112I99 H100 K118 A119 L122A85-I99 HydrophobicContact CB-CG2 3.83Å; A85-H100 CarbonylContact C-O 3.56Å; A85-H100 WeakPolarHBondContact CA-O 3.17Å; A85-K118 HydrophobicContact CB-CB 4.08Å; A85-A119 HydrophobicContact CB-CB 4.35Å; A85-L122 HydrophobicContact CB-CD1 3.91Å
86K98.8Very high98.2Very high57 Ų5751.6 Ų51.625%0.24829%0.285CS..EExtended strand (participates in β ladder)trans-135.9146.4174.2-68-170.3173.6178.80112.3L52 L77 G79 C80 I99 H100L52-K86 HydrophobicContact CD1-CD 4.28Å; L77-K86 HydrophobicContact CB-CD 3.89Å; L77-K86 HydrophobicContact CD1-CB 3.76Å; L77-K86 HydrophobicContact CD1-CD 4.14Å; L77-K86 HydrophobicContact CD2-CD 4.3Å; L77-K86 HydrophobicContact CG-CD 4.35Å; L77-K86 PolarHBondContact O-NZ 2.71Å; G79-K86 WeakPolarHBondContact O-CD 3.38Å; G79-K86 VanDerWaalsContact O-CE 3.26Å; G79-K86 WeakPolarHBondContact O-CE 3.38Å; G79-K86 PolarHBondContact O-NZ 3.39Å; C80-K86 HydrophobicContact CB-CD 4.11Å; C80-K86 HydrophobicContact CB-CG 4.18Å; K86-I99 CarbonylContact O-C 3.51Å; K86-H100 PolarHBondContact N-O 3.33Å; K86-H100 PolarHBondContact O-CD2 3.16Å; K86-H100 PolarHBondContact O-N 3.32Å
87L98.8Very high98.2Very high31 Ų3147.3 Ų47.316%0.16226%0.264CS..EExtended strand (participates in β ladder)trans-97.1140.8-177-171.577.3000112.1Y97 V98 I99 L122 H126 I128L87-Y97 HydrophobicContact CD1-CD1 4.08Å; L87-Y97 HydrophobicContact CD1-CG 4Å; L87-Y97 HydrophobicContact CD2-CD1 4Å; L87-Y97 HydrophobicContact CD2-CE1 4.29Å; L87-Y97 HydrophobicContact CG-CD1 4.09Å; L87-V98 WeakPolarHBondContact CA-O 3.47Å; L87-I99 HydrophobicContact CD1-CD1 4.08Å; L87-I99 HydrophobicContact CD1-CG1 3.37Å; L87-L122 HydrophobicContact CB-CD1 4.48Å; L87-L122 HydrophobicContact CB-CD2 4.47Å; L87-H126 HydrophobicContact CD2-CB 4.19Å; L87-I128 HydrophobicContact CD1-CD1 3.86Å
88T98.8Very high98.4Very high5 Ų545.2 Ų45.23%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-136.6163164.163.90000110.9L70 A73 L77 Y97 V98 H100L70-T88 WeakPolarHBondContact CD1-OG1 3.28Å; A73-T88 HydrophobicContact CB-CG2 4.1Å; L77-T88 HydrophobicContact CD1-CG2 3.67Å; L77-T88 HydrophobicContact CG-CG2 4.46Å; T88-Y97 VanDerWaalsContact O-CA 3.31Å; T88-Y97 WeakPolarHBondContact O-CA 3.22Å; T88-V98 PolarHBondContact N-O 3.17Å; T88-V98 PolarHBondContact O-N 3.17Å; T88-H100 WeakPolarHBondContact CG2-NE2 3.44Å; T88-H100 PolarHBondContact OG1-NE2 3.48Å
89P98.7Very high98.6Very high69 Ų6939.7 Ų39.745%0.44822%0.215SC..EExtended strand (participates in β ladder)trans-59.4152.5164.8-22.534.5000112.1F91P89-F91 VanDerWaalsContact C-N 3.33Å; P89-F91 HydrophobicContact CB-CE1 4.34Å; P89-F91 HydrophobicContact CB-CE2 4.21Å; P89-F91 HydrophobicContact CB-CZ 4.08Å; P89-F91 HydrophobicContact CG-CZ 4.25Å; P89-F91 WeakPolarHBondContact O-CD2 3.36Å; P89-F91 WeakPolarHBondContact O-CE2 3.35Å
90G98.5Very high98.7Very high1 Ų139 Ų391%0.0121%0.208CC..  trans-78.3-12.6178.300000115.2N92 L93 K96G90-N92 PolarHBondContact O-N 2.95Å; G90-L93 VanDerWaalsContact O-CB 3.24Å; G90-L93 WeakPolarHBondContact O-CB 3.29Å; G90-L93 WeakPolarHBondContact O-CD1 3.5Å; G90-L93 WeakPolarHBondContact O-CG 3.19Å; G90-L93 PolarHBondContact O-N 3.27Å; G90-K96 PolarHBondContact N-O 2.81Å
91F98.5Very high98.7Very high64 Ų6438.8 Ų38.828%0.28121%0.207SC..THydrogen-bonded Turntrans54.7-115.3-178.1-56.6-77.3000112.2A66 Q69 L70 A73 P89 L93A66-F91 HydrophobicContact CB-CB 4.45Å; A66-F91 WeakPolarHBondContact O-CB 3.37Å; Q69-F91 HydrophobicContact CB-CB 4.45Å; Q69-F91 HydrophobicContact CB-CD1 3.31Å; Q69-F91 HydrophobicContact CB-CD2 4.39Å; Q69-F91 HydrophobicContact CB-CE1 3.54Å; Q69-F91 HydrophobicContact CB-CG 3.78Å; Q69-F91 HydrophobicContact CB-CZ 4.2Å; Q69-F91 HydrophobicContact CG-CD1 4.25Å; Q69-F91 WeakPolarHBondContact O-CZ 3.31Å; L70-F91 VanDerWaalsContact CA-CE2 3.43Å; L70-F91 HydrophobicContact CB-CD2 3.8Å; L70-F91 HydrophobicContact CB-CE2 4.06Å; L70-F91 HydrophobicContact CD1-CD2 3.86Å; L70-F91 HydrophobicContact CD1-CE2 3.74Å; L70-F91 HydrophobicContact CG-CD2 4.46Å; A73-F91 HydrophobicContact CB-CE2 3.93Å; A73-F91 HydrophobicContact CB-CZ 3.63Å; P89-F91 VanDerWaalsContact C-N 3.33Å; P89-F91 HydrophobicContact CB-CE1 4.34Å; P89-F91 HydrophobicContact CB-CE2 4.21Å; P89-F91 HydrophobicContact CB-CZ 4.08Å; P89-F91 HydrophobicContact CG-CZ 4.25Å; P89-F91 WeakPolarHBondContact O-CD2 3.36Å; P89-F91 WeakPolarHBondContact O-CE2 3.35Å; F91-L93 PolarHBondContact O-N 2.74Å
92N98.6Very high98.7Very high115 Ų11535.1 Ų35.162%0.61518%0.182SC*.THydrogen-bonded Turntrans-78.5-5.5180-64.8-26.4000113.6A65 A66 G90A65-N92 VanDerWaalsContact O-CB 3.32Å; A65-N92 WeakPolarHBondContact O-CB 3.35Å; A66-N92 WeakPolarHBondContact O-CB 3.37Å; A66-N92 PolarHBondContact O-N 3.09Å; A66-N92 PolarHBondContact O-ND2 2.87Å; G90-N92 PolarHBondContact O-N 2.95Å
93L98.8Very high98.7Very high13 Ų1331.5 Ų31.57%0.06816%0.16CC..SBendtrans-65.7148.8172.8-71.8161.3000110.9T37 I44 I62 A65 A66 G90 F91 S95 V98T37-L93 HydrophobicContact CG2-CD2 4.09Å; I44-L93 HydrophobicContact CD1-CD1 3.89Å; I44-L93 HydrophobicContact CD1-CD2 4.14Å; I62-L93 HydrophobicContact CG2-CD1 4.17Å; A65-L93 HydrophobicContact CB-CD2 3.57Å; A65-L93 HydrophobicContact CB-CG 4.44Å; A66-L93 HydrophobicContact CB-CD1 3.81Å; A66-L93 HydrophobicContact CB-CG 3.91Å; G90-L93 VanDerWaalsContact O-CB 3.24Å; G90-L93 WeakPolarHBondContact O-CB 3.29Å; G90-L93 WeakPolarHBondContact O-CD1 3.5Å; G90-L93 WeakPolarHBondContact O-CG 3.19Å; G90-L93 PolarHBondContact O-N 3.27Å; F91-L93 PolarHBondContact O-N 2.74Å; L93-S95 PolarHBondContact O-N 3.12Å; L93-V98 HydrophobicContact CD1-CG2 3.37Å
94P98.4Very high98.7Very high37 Ų3731.3 Ų31.324%0.2416%0.158CC..SBendtrans-67.1-21169.831.8-38.7000112.6L2 T37 Q40L2-P94 HydrophobicContact CD1-CB 4.08Å; L2-P94 HydrophobicContact CD2-CB 3.88Å; L2-P94 HydrophobicContact CD2-CG 3.81Å; T37-P94 WeakPolarHBondContact O-CD 3.44Å; T37-P94 WeakPolarHBondContact O-CG 3.24Å; Q40-P94 HydrophobicContact CB-CB 3.93Å; Q40-P94 HydrophobicContact CG-CB 4.1Å
95S98.7Very high98.7Very high3 Ų334.3 Ų34.32%0.02118%0.178CC..SBendtrans-79.914117358.90000111.7L39 I41 L93 Y97L39-S95 PolarHBondContact O-N 3.01Å; I41-S95 WeakPolarHBondContact O-CA 3.33Å; L93-S95 PolarHBondContact O-N 3.12Å; S95-Y97 VanDerWaalsContact C-N 3.34Å; S95-Y97 PolarHBondContact O-N 3.32Å
96K98.7Very high98.6Very high128 Ų12835.3 Ų35.356%0.55719%0.188SC*.SBendtrans-68.5-33.4-176.5-57172.3-174.4157.90113I41 D42 G90I41-K96 PolarHBondContact O-N 3.25Å; D42-K96 CarbonylContact O-C 3.59Å; D42-K96 WeakPolarHBondContact O-CA 3.19Å; D42-K96 WeakPolarHBondContact O-CB 3.27Å; D42-K96 PolarHBondContact O-N 3.25Å; D42-K96 VanDerWaalsContact O-N 3.1Å; D42-K96 IonicContact OD1-NZ 2.74Å; D42-K96 PolarHBondContact OD1-NZ 3.01Å; G90-K96 PolarHBondContact N-O 2.81Å
97Y98.9Very high98.6Very high78 Ų7840.1 Ų40.131%0.30621%0.205SC..EExtended strand (participates in β ladder)trans-133.8154.9-175.8-58.4-77.7000113D42 A43 I44 L87 T88 S95 I128D42-Y97 WeakPolarHBondContact O-CD2 3.24Å; D42-Y97 PolarHBondContact O-N 3.14Å; A43-Y97 WeakPolarHBondContact CA-O 3.44Å; I44-Y97 PolarHBondContact N-O 3.36Å; I44-Y97 VanDerWaalsContact N-O 3.09Å; L87-Y97 HydrophobicContact CD1-CD1 4.08Å; L87-Y97 HydrophobicContact CD1-CG 4Å; L87-Y97 HydrophobicContact CD2-CD1 4Å; L87-Y97 HydrophobicContact CD2-CE1 4.29Å; L87-Y97 HydrophobicContact CG-CD1 4.09Å; T88-Y97 VanDerWaalsContact O-CA 3.31Å; T88-Y97 WeakPolarHBondContact O-CA 3.22Å; S95-Y97 VanDerWaalsContact C-N 3.34Å; S95-Y97 PolarHBondContact O-N 3.32Å; Y97-I128 HydrophobicContact CD2-CD1 3.79Å; Y97-I128 HydrophobicContact CD2-CG1 3.86Å; Y97-I128 HydrophobicContact CE2-CD1 4.32Å; Y97-I128 HydrophobicContact CE2-CG1 4.07Å; Y97-I128 HydrophobicContact CG-CD1 4.14Å
98V98.9Very high98.5Very high0 Ų042.2 Ų42.20%022%0.216CC..EExtended strand (participates in β ladder)trans-115.7127.9164.6-1800000108.6I44 N46 I62 L70 L87 T88 L93I44-V98 HydrophobicContact CG1-CG2 4.18Å; I44-V98 WeakPolarHBondContact O-CA 3.32Å; N46-V98 HydrophobicContact CB-CG1 3.76Å; I62-V98 HydrophobicContact CG2-CG1 4.02Å; I62-V98 HydrophobicContact CG2-CG2 4.09Å; L70-V98 HydrophobicContact CD1-CB 4.44Å; L70-V98 HydrophobicContact CD1-CG2 4.41Å; L87-V98 WeakPolarHBondContact CA-O 3.47Å; T88-V98 PolarHBondContact N-O 3.17Å; T88-V98 PolarHBondContact O-N 3.17Å; L93-V98 HydrophobicContact CD1-CG2 3.37Å
99I98.9Very high98.5Very high0 Ų044.6 Ų44.60%023%0.229CC..EExtended strand (participates in β ladder)trans-102.7106.5171.7-65.7165.7000108A43 I44 A45 N46 A85 K86 L87 C101 A119 L122 I128 I131A43-I99 HydrophobicContact CB-CD1 3.91Å; A43-I99 HydrophobicContact CB-CG1 4.41Å; I44-I99 PolarHBondContact O-N 2.8Å; A45-I99 CarbonylContact C-O 3.52Å; A45-I99 VanDerWaalsContact CA-O 3.28Å; A45-I99 WeakPolarHBondContact CA-O 3.42Å; N46-I99 PolarHBondContact N-O 3.47Å; A85-I99 HydrophobicContact CB-CG2 3.83Å; K86-I99 CarbonylContact O-C 3.51Å; L87-I99 HydrophobicContact CD1-CD1 4.08Å; L87-I99 HydrophobicContact CD1-CG1 3.37Å; I99-C101 PolarHBondContact O-N 3.09Å; I99-A119 HydrophobicContact CG2-CB 3.72Å; I99-L122 HydrophobicContact CD1-CB 4.39Å; I99-L122 HydrophobicContact CG2-CD1 3.9Å; I99-I128 HydrophobicContact CD1-CD1 4.29Å; I99-I131 HydrophobicContact CD1-CD1 3.66Å
100H98.8Very high98.5Very high0 Ų046.6 Ų46.60%024%0.24CC..EExtended strand (participates in β ladder)trans-80.6103.5-179-56.6-89.8000110.2N46 A48 L52 C74 A85 K86 T88N46-H100 PolarHBondContact ND2-ND1 3.04Å; A48-H100 HydrophobicContact CB-CB 4.11Å; L52-H100 HydrophobicContact CD2-CB 3.72Å; C74-H100 PolarHBondContact SG-CE1 2.83Å; C74-H100 PolarHBondContact SG-NE2 2.79Å; A85-H100 CarbonylContact C-O 3.56Å; A85-H100 WeakPolarHBondContact CA-O 3.17Å; K86-H100 PolarHBondContact N-O 3.33Å; K86-H100 PolarHBondContact O-CD2 3.16Å; K86-H100 PolarHBondContact O-N 3.32Å; T88-H100 WeakPolarHBondContact CG2-NE2 3.44Å; T88-H100 PolarHBondContact OG1-NE2 3.48Å
101C98.9Very high98.6Very high0 Ų047.2 Ų47.20%024%0.244CC..EExtended strand (participates in β ladder)trans-97.5121.9-175.9-650000110.6N46 A48 I99 T115 I136N46-C101 WeakPolarHBondContact O-CB 3.36Å; N46-C101 PolarHBondContact O-N 3.44Å; A48-C101 PolarHBondContact N-O 2.72Å; I99-C101 PolarHBondContact O-N 3.09Å; C101-T115 HydrophobicContact CB-CG2 3.54Å; C101-I136 HydrophobicContact CB-CD1 3.63Å
102V98.7Very high98.6Very high0 Ų044.1 Ų44.10%023%0.231CC..EExtended strand (participates in β ladder)trans-103.590.3178.4-1750000109.6A48 L52 C80 T82 G83 D84 T115A48-V102 HydrophobicContact CB-CG2 4.48Å; L52-V102 HydrophobicContact CD2-CG2 4.12Å; C80-V102 HydrophobicContact CB-CG2 3.7Å; T82-V102 CarbonylContact C-O 3.56Å; T82-V102 WeakPolarHBondContact CA-O 3.43Å; G83-V102 PolarHBondContact N-O 3.11Å; D84-V102 PolarHBondContact O-N 3.27Å; V102-T115 PolarHBondContact O-OG1 3.44Å
103G98.6Very high98.6Very high1 Ų142.6 Ų42.61%0.0122%0.22CC..PPolyproline II helixtrans-73169175.100000113.4S137 Y141G103-S137 VanDerWaalsContact CA-OG 3.27Å; G103-S137 WeakPolarHBondContact CA-OG 3.42Å; G103-Y141 WeakPolarHBondContact O-CE2 3.22Å
104P98.5Very high98.6Very high4 Ų443.3 Ų43.33%0.02623%0.226CC..PPolyproline II helixtrans-72.6154.8178.231.3-37000113.2T82 N108 A111 L112 S137 Y141 F143T82-P104 HydrophobicContact CG2-CB 3.99Å; P104-N108 HydrophobicContact CB-CB 3.78Å; P104-N108 HydrophobicContact CG-CB 4.05Å; P104-A111 HydrophobicContact CB-CB 3.95Å; P104-A111 HydrophobicContact CG-CB 4.07Å; P104-L112 HydrophobicContact CG-CB 4.08Å; P104-S137 WeakPolarHBondContact CD-OG 3.36Å; P104-S137 VanDerWaalsContact O-CB 3.31Å; P104-S137 WeakPolarHBondContact O-CB 3.25Å; P104-S137 PolarHBondContact O-OG 3.03Å; P104-Y141 WeakPolarHBondContact O-CD2 3.32Å; P104-F143 HydrophobicContact CG-CD2 3.97Å; P104-F143 HydrophobicContact CG-CE2 4.06Å
105V97.9Very high98.6Very high109 Ų10941.5 Ų41.566%0.66122%0.215SC*.SBendtrans-86.9127.8162.5-178.20000108Y141V105-Y141 HydrophobicContact CG2-CD1 3.96Å; V105-Y141 HydrophobicContact CG2-CD2 4.05Å; V105-Y141 HydrophobicContact CG2-CE1 4.02Å; V105-Y141 HydrophobicContact CG2-CE2 4.1Å; V105-Y141 HydrophobicContact CG2-CG 3.97Å
106G97.2Very high98.6Very high26 Ų2641.4 Ų41.427%0.26821%0.214SC..SBendtrans70.8-177.5-16900000112.6N108 Y141 F143G106-N108 PolarHBondContact O-N 2.88Å; G106-Y141 PolarHBondContact N-O 3.5Å; G106-F143 WeakPolarHBondContact O-CD2 3.45Å
107R97.7Very high98.6Very high158 Ų15839.1 Ų39.160%0.59620%0.202SC*.  trans-74.8115.4179.3-176.4173.7179.3179.2-1.3110.8D109 F143R107-D109 WeakPolarHBondContact CG-OD1 3.44Å; R107-D109 IonicContact CZ-OD1 2.75Å; R107-D109 IonicContact CZ-OD2 2.71Å; R107-D109 IonicContact NE-OD1 3.54Å; R107-D109 PolarHBondContact NE-OD1 3.25Å; R107-D109 IonicContact NE-OD2 2.63Å; R107-D109 PolarHBondContact NE-OD2 3.12Å; R107-D109 IonicContact NH2-OD1 3.7Å; R107-D109 IonicContact NH2-OD2 3.37Å; R107-D109 PolarHBondContact NH2-OD2 2.92Å; R107-F143 HydrophobicContact CB-CZ 4.49Å; R107-F143 HydrophobicContact CG-CE1 3.92Å; R107-F143 HydrophobicContact CG-CE2 4.27Å; R107-F143 HydrophobicContact CG-CZ 3.79Å
108N98.6Very high98.6Very high76 Ų7638.6 Ų38.641%0.40620%0.201SC..  trans-145.792.9166.5-178.6-22.9000108.5P104 G106 V110 A111 L112P104-N108 HydrophobicContact CB-CB 3.78Å; P104-N108 HydrophobicContact CG-CB 4.05Å; G106-N108 PolarHBondContact O-N 2.88Å; N108-V110 VanDerWaalsContact C-N 3.29Å; N108-V110 PolarHBondContact O-N 3.12Å; N108-V110 PolarHBondContact OD1-N 3.14Å; N108-A111 HydrophobicContact CB-CB 4.11Å; N108-A111 PolarHBondContact O-N 3.48Å; N108-A111 PolarHBondContact OD1-N 3.27Å; N108-L112 PolarHBondContact O-N 3.47Å
109D98.7Very high98.6Very high54 Ų5438.6 Ų38.629%0.28920%0.201SC..Hα-helixtrans-59.7-40.5-172.6-59.721.9000111.1R107 A111 L112 E113 F143 V151R107-D109 WeakPolarHBondContact CG-OD1 3.44Å; R107-D109 IonicContact CZ-OD1 2.75Å; R107-D109 IonicContact CZ-OD2 2.71Å; R107-D109 IonicContact NE-OD1 3.54Å; R107-D109 PolarHBondContact NE-OD1 3.25Å; R107-D109 IonicContact NE-OD2 2.63Å; R107-D109 PolarHBondContact NE-OD2 3.12Å; R107-D109 IonicContact NH2-OD1 3.7Å; R107-D109 IonicContact NH2-OD2 3.37Å; R107-D109 PolarHBondContact NH2-OD2 2.92Å; D109-A111 PolarHBondContact O-N 2.76Å; D109-L112 PolarHBondContact O-N 3.38Å; D109-E113 VanDerWaalsContact O-CB 3.31Å; D109-E113 WeakPolarHBondContact O-CB 3.49Å; D109-E113 PolarHBondContact O-N 2.82Å; D109-F143 WeakPolarHBondContact OD1-CZ 3.37Å; D109-V151 HydrophobicContact CB-CG2 4.07Å
110V98.8Very high98.6Very high112 Ų11238.6 Ų38.668%0.67920%0.201SC*.Hα-helixtrans-62.4-44.9179178.40000111.8N108 S114N108-V110 VanDerWaalsContact C-N 3.29Å; N108-V110 PolarHBondContact O-N 3.12Å; N108-V110 PolarHBondContact OD1-N 3.14Å; V110-S114 WeakPolarHBondContact O-CB 3.29Å; V110-S114 PolarHBondContact O-N 3.38Å
111A98.8Very high98.6Very high13 Ų1340.5 Ų40.511%0.10721%0.21CC..Hα-helixtrans-68.8-40.3178.400000111.7T82 G83 P104 N108 D109 S114 T115T82-A111 HydrophobicContact CG2-CB 4.15Å; G83-A111 WeakPolarHBondContact CA-O 3.31Å; P104-A111 HydrophobicContact CB-CB 3.95Å; P104-A111 HydrophobicContact CG-CB 4.07Å; N108-A111 HydrophobicContact CB-CB 4.11Å; N108-A111 PolarHBondContact O-N 3.48Å; N108-A111 PolarHBondContact OD1-N 3.27Å; D109-A111 PolarHBondContact O-N 2.76Å; A111-S114 PolarHBondContact O-N 2.96Å; A111-T115 PolarHBondContact O-N 3.32Å; A111-T115 PolarHBondContact O-OG1 3.03Å
112L98.9Very high98.6Very high0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-66.5-42.8177.8-175.362000111.3P104 N108 D109 S114 T115 Y116 I136 F143 A148 V151P104-L112 HydrophobicContact CG-CB 4.08Å; N108-L112 PolarHBondContact O-N 3.47Å; D109-L112 PolarHBondContact O-N 3.38Å; L112-S114 PolarHBondContact O-N 3.29Å; L112-T115 VanDerWaalsContact O-CB 3.31Å; L112-T115 WeakPolarHBondContact O-CB 3.34Å; L112-T115 PolarHBondContact O-N 2.95Å; L112-T115 VanDerWaalsContact O-N 3.14Å; L112-Y116 HydrophobicContact CD1-CD2 4.08Å; L112-Y116 HydrophobicContact CD1-CE2 3.66Å; L112-Y116 HydrophobicContact CD2-CE2 4.4Å; L112-Y116 HydrophobicContact CG-CD2 4.1Å; L112-Y116 HydrophobicContact CG-CE2 3.86Å; L112-Y116 WeakPolarHBondContact O-CD2 3.32Å; L112-Y116 PolarHBondContact O-N 3.41Å; L112-Y116 VanDerWaalsContact O-N 3.12Å; L112-I136 HydrophobicContact CD1-CB 4.08Å; L112-I136 HydrophobicContact CD1-CG2 3.84Å; L112-F143 HydrophobicContact CB-CD2 4.46Å; L112-F143 HydrophobicContact CB-CE2 3.79Å; L112-F143 HydrophobicContact CB-CZ 4.4Å; L112-F143 HydrophobicContact CD2-CD1 4.42Å; L112-F143 HydrophobicContact CD2-CD2 3.85Å; L112-F143 HydrophobicContact CD2-CE1 4.16Å; L112-F143 HydrophobicContact CD2-CE2 3.53Å; L112-F143 HydrophobicContact CD2-CG 4.29Å; L112-F143 HydrophobicContact CD2-CZ 3.71Å; L112-F143 HydrophobicContact CG-CE2 4.27Å; L112-A148 HydrophobicContact CD2-CB 3.85Å; L112-V151 HydrophobicContact CB-CG1 4.03Å; L112-V151 HydrophobicContact CD2-CB 4.03Å; L112-V151 HydrophobicContact CD2-CG1 4.03Å; L112-V151 HydrophobicContact CG-CB 4.43Å; L112-V151 HydrophobicContact CG-CG1 3.86Å
113E98.9Very high98.7Very high82 Ų8241.5 Ų41.538%0.38322%0.215SC..Hα-helixtrans-56.6-49.1172.5177-177.2145.400111D109 T115 Y116 R117 V151 T155D109-E113 VanDerWaalsContact O-CB 3.31Å; D109-E113 WeakPolarHBondContact O-CB 3.49Å; D109-E113 PolarHBondContact O-N 2.82Å; E113-T115 PolarHBondContact O-N 3.25Å; E113-Y116 PolarHBondContact O-N 3.34Å; E113-R117 WeakPolarHBondContact O-CB 3.41Å; E113-R117 PolarHBondContact O-N 3.44Å; E113-V151 HydrophobicContact CB-CG1 4.01Å; E113-T155 HydrophobicContact CG-CG2 4.15Å; E113-T155 WeakPolarHBondContact CG-OG1 3.25Å
114S98.9Very high98.7Very high28 Ų2842.9 Ų42.920%0.19623%0.225CC..Hα-helixtrans-58.5-38.4177.2-172.30000111.9G83 V110 A111 L112 R117 K118G83-S114 CarbonylContact O-C 3.54Å; G83-S114 VanDerWaalsContact O-C 3.23Å; G83-S114 VanDerWaalsContact O-CB 3.23Å; G83-S114 WeakPolarHBondContact O-CB 3.33Å; G83-S114 PolarHBondContact O-OG 2.82Å; V110-S114 WeakPolarHBondContact O-CB 3.29Å; V110-S114 PolarHBondContact O-N 3.38Å; A111-S114 PolarHBondContact O-N 2.96Å; L112-S114 PolarHBondContact O-N 3.29Å; S114-R117 PolarHBondContact O-N 2.71Å; S114-R117 PolarHBondContact OG-NH2 3.37Å; S114-K118 VanDerWaalsContact O-CB 3.26Å; S114-K118 WeakPolarHBondContact O-CB 3.44Å; S114-K118 WeakPolarHBondContact O-CG 3.39Å; S114-K118 PolarHBondContact O-N 2.75Å
115T98.9Very high98.7Very high0 Ų048.9 Ų48.90%025%0.252CS..Hα-helixtrans-61.1-50.3178-53.70000111.6G83 C101 V102 A111 L112 E113 K118 A119 I136G83-T115 VanDerWaalsContact CA-OG1 3.32Å; G83-T115 WeakPolarHBondContact CA-OG1 3.36Å; G83-T115 PolarHBondContact O-N 3.02Å; C101-T115 HydrophobicContact CB-CG2 3.54Å; V102-T115 PolarHBondContact O-OG1 3.44Å; A111-T115 PolarHBondContact O-N 3.32Å; A111-T115 PolarHBondContact O-OG1 3.03Å; L112-T115 VanDerWaalsContact O-CB 3.31Å; L112-T115 WeakPolarHBondContact O-CB 3.34Å; L112-T115 PolarHBondContact O-N 2.95Å; L112-T115 VanDerWaalsContact O-N 3.14Å; E113-T115 PolarHBondContact O-N 3.25Å; T115-K118 PolarHBondContact O-N 3.48Å; T115-A119 PolarHBondContact O-N 3.36Å; T115-A119 VanDerWaalsContact O-N 3.11Å; T115-I136 HydrophobicContact CG2-CD1 4.38Å; T115-I136 HydrophobicContact CG2-CG2 4.38Å
116Y98.9Very high98.7Very high0 Ų047.7 Ų47.70%024%0.239CC..Hα-helixtrans-64.5-44177.3-80.4-78.7000111.7L112 E113 K118 A119 L120 F133 I136 A152 V156L112-Y116 HydrophobicContact CD1-CD2 4.08Å; L112-Y116 HydrophobicContact CD1-CE2 3.66Å; L112-Y116 HydrophobicContact CD2-CE2 4.4Å; L112-Y116 HydrophobicContact CG-CD2 4.1Å; L112-Y116 HydrophobicContact CG-CE2 3.86Å; L112-Y116 WeakPolarHBondContact O-CD2 3.32Å; L112-Y116 PolarHBondContact O-N 3.41Å; L112-Y116 VanDerWaalsContact O-N 3.12Å; E113-Y116 PolarHBondContact O-N 3.34Å; Y116-K118 PolarHBondContact O-N 3.26Å; Y116-A119 WeakPolarHBondContact O-CB 3.11Å; Y116-A119 PolarHBondContact O-N 2.94Å; Y116-L120 WeakPolarHBondContact O-CG 3.31Å; Y116-L120 PolarHBondContact O-N 3.37Å; Y116-F133 AromaticContact CD1-CD1 3.71Å; Y116-F133 HydrophobicContact CD1-CD1 3.71Å; Y116-F133 HydrophobicContact CD1-CD2 4.39Å; Y116-F133 AromaticContact CD1-CE1 3.73Å; Y116-F133 HydrophobicContact CD1-CE1 3.73Å; Y116-F133 HydrophobicContact CD1-CE2 4.4Å; Y116-F133 HydrophobicContact CD1-CG 4.06Å; Y116-F133 HydrophobicContact CD1-CZ 4.07Å; Y116-F133 HydrophobicContact CE1-CB 4.01Å; Y116-F133 AromaticContact CE1-CD1 3.59Å; Y116-F133 HydrophobicContact CE1-CD1 3.59Å; Y116-F133 HydrophobicContact CE1-CD2 4.39Å; Y116-F133 HydrophobicContact CE1-CE1 4.12Å; Y116-F133 AromaticContact CE1-CG 3.75Å; Y116-F133 HydrophobicContact CE1-CG 3.75Å; Y116-I136 HydrophobicContact CD1-CD1 4.41Å; Y116-I136 HydrophobicContact CE1-CD1 3.91Å; Y116-I136 HydrophobicContact CE2-CB 4.42Å; Y116-I136 HydrophobicContact CE2-CD1 4.36Å; Y116-A152 HydrophobicContact CD1-CB 4.45Å; Y116-A152 HydrophobicContact CD2-CB 4.22Å; Y116-A152 HydrophobicContact CE1-CB 3.83Å; Y116-A152 HydrophobicContact CE2-CB 3.56Å; Y116-A152 WeakPolarHBondContact OH-CB 3.22Å; Y116-V156 HydrophobicContact CD1-CG2 4.46Å
117R98.9Very high98.8Very high81 Ų8152.7 Ų52.731%0.30626%0.26SS..Hα-helixtrans-60.4-44.6178.1-178179.655.479.85.4111.3E113 S114 A119 L120 E121 T155 Y159E113-R117 WeakPolarHBondContact O-CB 3.41Å; E113-R117 PolarHBondContact O-N 3.44Å; S114-R117 PolarHBondContact O-N 2.71Å; S114-R117 PolarHBondContact OG-NH2 3.37Å; R117-A119 VanDerWaalsContact C-N 3.32Å; R117-A119 PolarHBondContact O-N 3.29Å; R117-L120 PolarHBondContact O-N 3.49Å; R117-L120 VanDerWaalsContact O-N 3.16Å; R117-E121 HydrophobicContact CG-CG 4.44Å; R117-E121 IonicContact CZ-OE1 2.81Å; R117-E121 IonicContact NH1-OE1 3.32Å; R117-E121 PolarHBondContact NH1-OE1 2.94Å; R117-E121 IonicContact NH1-OE2 3.42Å; R117-E121 PolarHBondContact NH1-OE2 2.81Å; R117-E121 WeakPolarHBondContact O-CG 3.26Å; R117-E121 PolarHBondContact O-N 3.28Å; R117-T155 HydrophobicContact CB-CG2 3.97Å; R117-Y159 HydrophobicContact CG-CD2 4.44Å
118K98.9Very high98.8Very high67 Ų6745.3 Ų45.329%0.29123%0.232SC..Hα-helixtrans-62.9-38.4177.8-77.6-75.5169.8-1520112.6D84 A85 S114 T115 Y116 L120 E121 L122D84-K118 WeakPolarHBondContact OD1-CD 3.27Å; A85-K118 HydrophobicContact CB-CB 4.08Å; S114-K118 VanDerWaalsContact O-CB 3.26Å; S114-K118 WeakPolarHBondContact O-CB 3.44Å; S114-K118 WeakPolarHBondContact O-CG 3.39Å; S114-K118 PolarHBondContact O-N 2.75Å; T115-K118 PolarHBondContact O-N 3.48Å; Y116-K118 PolarHBondContact O-N 3.26Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-E121 WeakPolarHBondContact CD-OE2 3.36Å; K118-E121 WeakPolarHBondContact CE-OE2 3.36Å; K118-E121 IonicContact NZ-OE2 3.7Å; K118-E121 PolarHBondContact NZ-OE2 2.8Å; K118-E121 PolarHBondContact O-N 3.04Å; K118-L122 WeakPolarHBondContact O-CG 3.23Å; K118-L122 PolarHBondContact O-N 3.21Å
119A99Very high98.8Very high0 Ų045.5 Ų45.50%023%0.23CC..Hα-helixtrans-63.4-40.8173.400000112.4A85 I99 T115 Y116 R117 L122 C123 I131 F133A85-A119 HydrophobicContact CB-CB 4.35Å; I99-A119 HydrophobicContact CG2-CB 3.72Å; T115-A119 PolarHBondContact O-N 3.36Å; T115-A119 VanDerWaalsContact O-N 3.11Å; Y116-A119 WeakPolarHBondContact O-CB 3.11Å; Y116-A119 PolarHBondContact O-N 2.94Å; R117-A119 VanDerWaalsContact C-N 3.32Å; R117-A119 PolarHBondContact O-N 3.29Å; A119-L122 PolarHBondContact O-N 3.04Å; A119-C123 PolarHBondContact O-N 2.87Å; A119-C123 VanDerWaalsContact O-N 3.14Å; A119-C123 PolarHBondContact O-SG 3.17Å; A119-I131 HydrophobicContact CB-CD1 4.47Å; A119-F133 HydrophobicContact CB-CE1 3.65Å; A119-F133 HydrophobicContact CB-CZ 3.88Å
120L99Very high98.8Very high0 Ų043.1 Ų43.10%022%0.218CC..Hα-helixtrans-70.5-37.2177.3-65.6163000112.2Y116 R117 K118 C123 S124 I131 F133 V156 Y159 I166 V169Y116-L120 WeakPolarHBondContact O-CG 3.31Å; Y116-L120 PolarHBondContact O-N 3.37Å; R117-L120 PolarHBondContact O-N 3.49Å; R117-L120 VanDerWaalsContact O-N 3.16Å; K118-L120 VanDerWaalsContact C-N 3.34Å; L120-C123 WeakPolarHBondContact O-CA 3.48Å; L120-C123 VanDerWaalsContact O-CB 3.25Å; L120-C123 WeakPolarHBondContact O-CB 3.3Å; L120-C123 PolarHBondContact O-N 2.84Å; L120-S124 PolarHBondContact O-N 3.03Å; L120-I131 HydrophobicContact CD2-CG2 4.32Å; L120-F133 HydrophobicContact CD2-CE2 4.06Å; L120-F133 HydrophobicContact CD2-CZ 4.15Å; L120-F133 HydrophobicContact CG-CE2 4.5Å; L120-F133 HydrophobicContact CG-CZ 4.19Å; L120-V156 HydrophobicContact CD1-CG2 4.16Å; L120-Y159 HydrophobicContact CB-CD1 3.69Å; L120-Y159 HydrophobicContact CB-CD2 4.04Å; L120-Y159 HydrophobicContact CB-CE1 3.69Å; L120-Y159 HydrophobicContact CB-CE2 4.04Å; L120-Y159 HydrophobicContact CB-CG 3.88Å; L120-Y159 HydrophobicContact CD1-CD1 4.13Å; L120-Y159 HydrophobicContact CD1-CD2 4.3Å; L120-Y159 HydrophobicContact CD1-CG 3.78Å; L120-Y159 HydrophobicContact CD2-CD1 4.45Å; L120-Y159 HydrophobicContact CG-CD1 4.3Å; L120-Y159 HydrophobicContact CG-CG 4.37Å; L120-Y159 PolarHBondContact O-OH 2.84Å; L120-I166 HydrophobicContact CB-CD1 4.37Å; L120-I166 HydrophobicContact CD2-CD1 3.9Å; L120-V169 HydrophobicContact CD2-CG2 4.31Å
121E98.9Very high98.8Very high39 Ų3937.8 Ų37.818%0.18219%0.186CC..Hα-helixtrans-59.1-46.4172.1-74.9170.9-178.900111.3R117 K118 C123 S124 E125 Y159R117-E121 HydrophobicContact CG-CG 4.44Å; R117-E121 IonicContact CZ-OE1 2.81Å; R117-E121 IonicContact NH1-OE1 3.32Å; R117-E121 PolarHBondContact NH1-OE1 2.94Å; R117-E121 IonicContact NH1-OE2 3.42Å; R117-E121 PolarHBondContact NH1-OE2 2.81Å; R117-E121 WeakPolarHBondContact O-CG 3.26Å; R117-E121 PolarHBondContact O-N 3.28Å; K118-E121 WeakPolarHBondContact CD-OE2 3.36Å; K118-E121 WeakPolarHBondContact CE-OE2 3.36Å; K118-E121 IonicContact NZ-OE2 3.7Å; K118-E121 PolarHBondContact NZ-OE2 2.8Å; K118-E121 PolarHBondContact O-N 3.04Å; E121-C123 PolarHBondContact O-N 3.02Å; E121-S124 PolarHBondContact O-N 2.78Å; E121-S124 VanDerWaalsContact O-N 3.16Å; E121-E125 WeakPolarHBondContact O-CB 3.4Å; E121-E125 VanDerWaalsContact O-CG 3.29Å; E121-E125 WeakPolarHBondContact O-CG 3.46Å; E121-E125 PolarHBondContact O-N 3.44Å; E121-Y159 WeakPolarHBondContact CA-OH 3.17Å; E121-Y159 HydrophobicContact CG-CE2 4.06Å
122L98.9Very high98.8Very high22 Ų2237.1 Ų37.112%0.11518%0.181CC..Hα-helixtrans-59.2-32.6172.7-72.9170.4000112A85 L87 I99 K118 A119 H126A85-L122 HydrophobicContact CB-CD1 3.91Å; L87-L122 HydrophobicContact CB-CD1 4.48Å; L87-L122 HydrophobicContact CB-CD2 4.47Å; I99-L122 HydrophobicContact CD1-CB 4.39Å; I99-L122 HydrophobicContact CG2-CD1 3.9Å; K118-L122 WeakPolarHBondContact O-CG 3.23Å; K118-L122 PolarHBondContact O-N 3.21Å; A119-L122 PolarHBondContact O-N 3.04Å; L122-H126 WeakPolarHBondContact O-CB 3.47Å; L122-H126 PolarHBondContact O-CD2 2.98Å; L122-H126 VanDerWaalsContact O-CD2 3.25Å; L122-H126 PolarHBondContact O-N 2.85Å; L122-H126 VanDerWaalsContact O-N 3.17Å
123C98.9Very high98.8Very high0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-64.2-50.4174.8-66.50000111.9A119 L120 E121 H126 N127 I128 I166A119-C123 PolarHBondContact O-N 2.87Å; A119-C123 VanDerWaalsContact O-N 3.14Å; A119-C123 PolarHBondContact O-SG 3.17Å; L120-C123 WeakPolarHBondContact O-CA 3.48Å; L120-C123 VanDerWaalsContact O-CB 3.25Å; L120-C123 WeakPolarHBondContact O-CB 3.3Å; L120-C123 PolarHBondContact O-N 2.84Å; E121-C123 PolarHBondContact O-N 3.02Å; C123-H126 PolarHBondContact O-N 3.07Å; C123-N127 PolarHBondContact O-N 3.13Å; C123-N127 VanDerWaalsContact O-N 3.09Å; C123-I128 HydrophobicContact CB-CB 3.94Å; C123-I128 HydrophobicContact CB-CG2 4.12Å; C123-I128 PolarHBondContact O-N 3.07Å; C123-I166 HydrophobicContact CB-CD1 3.77Å; C123-I166 HydrophobicContact CB-CG1 4.21Å
124S98.7Very high98.8Very high30 Ų3033.7 Ų33.721%0.2117%0.165CC..Hα-helixtrans-62.7-42.8179-620000112.1L120 E121 H126 N127 Y159 E165L120-S124 PolarHBondContact O-N 3.03Å; E121-S124 PolarHBondContact O-N 2.78Å; E121-S124 VanDerWaalsContact O-N 3.16Å; S124-H126 VanDerWaalsContact C-N 3.27Å; S124-H126 PolarHBondContact O-N 3.15Å; S124-N127 PolarHBondContact O-N 3.16Å; S124-Y159 PolarHBondContact OG-OH 2.92Å; S124-E165 WeakPolarHBondContact CB-OE1 3.27Å; S124-E165 PolarHBondContact OG-OE1 2.73Å
125E98.7Very high98.8Very high129 Ų12933.5 Ų33.560%0.60316%0.164SC*.Hα-helixtrans-62.2-32.6178.4-73172.5-172.600113E121E121-E125 WeakPolarHBondContact O-CB 3.4Å; E121-E125 VanDerWaalsContact O-CG 3.29Å; E121-E125 WeakPolarHBondContact O-CG 3.46Å; E121-E125 PolarHBondContact O-N 3.44Å
126H98.6Very high98.8Very high84 Ų8433.6 Ų33.639%0.38916%0.164SC..THydrogen-bonded Turntrans-107.912.8-174.9-69.6-89000114.4L87 L122 C123 S124 I128L87-H126 HydrophobicContact CD2-CB 4.19Å; L122-H126 WeakPolarHBondContact O-CB 3.47Å; L122-H126 PolarHBondContact O-CD2 2.98Å; L122-H126 VanDerWaalsContact O-CD2 3.25Å; L122-H126 PolarHBondContact O-N 2.85Å; L122-H126 VanDerWaalsContact O-N 3.17Å; C123-H126 PolarHBondContact O-N 3.07Å; S124-H126 VanDerWaalsContact C-N 3.27Å; S124-H126 PolarHBondContact O-N 3.15Å; H126-I128 HydrophobicContact CB-CD1 3.92Å; H126-I128 HydrophobicContact CB-CG1 4.06Å; H126-I128 PolarHBondContact O-N 3.29Å
127N98.3Very high98.7Very high132 Ų13233.9 Ų33.971%0.70617%0.166SC*.THydrogen-bonded Turntrans54.535-177.4-57.2-77.7000113.5C123 S124C123-N127 PolarHBondContact O-N 3.13Å; C123-N127 VanDerWaalsContact O-N 3.09Å; S124-N127 PolarHBondContact O-N 3.16Å
128I98.8Very high98.5Very high2 Ų231 Ų311%0.0116%0.158CC..  trans-83.5114.9175.1-64.6167.4000107.2D42 A43 L87 Y97 I99 C123 H126 S130D42-I128 HydrophobicContact CB-CB 4.34Å; D42-I128 HydrophobicContact CB-CG2 3.64Å; A43-I128 HydrophobicContact CB-CD1 4.17Å; A43-I128 HydrophobicContact CB-CG2 3.58Å; L87-I128 HydrophobicContact CD1-CD1 3.86Å; Y97-I128 HydrophobicContact CD2-CD1 3.79Å; Y97-I128 HydrophobicContact CD2-CG1 3.86Å; Y97-I128 HydrophobicContact CE2-CD1 4.32Å; Y97-I128 HydrophobicContact CE2-CG1 4.07Å; Y97-I128 HydrophobicContact CG-CD1 4.14Å; I99-I128 HydrophobicContact CD1-CD1 4.29Å; C123-I128 HydrophobicContact CB-CB 3.94Å; C123-I128 HydrophobicContact CB-CG2 4.12Å; C123-I128 PolarHBondContact O-N 3.07Å; H126-I128 HydrophobicContact CB-CD1 3.92Å; H126-I128 HydrophobicContact CB-CG1 4.06Å; H126-I128 PolarHBondContact O-N 3.29Å; I128-S130 WeakPolarHBondContact CG2-O 3.28Å
129Q98.7Very high98.2Very high80 Ų8030.5 Ų30.537%0.37417%0.172SC..  trans-95.7-12-173.5-57.8-179.937.300112.1D42 E165 I166 Q167 R168D42-Q129 PolarHBondContact OD2-N 3.34Å; Q129-E165 WeakPolarHBondContact CG-O 3.39Å; Q129-I166 CarbonylContact O-C 3.56Å; Q129-Q167 HydrophobicContact CB-CB 4.46Å; Q129-Q167 HydrophobicContact CB-CG 4.24Å; Q129-Q167 PolarHBondContact O-N 2.92Å; Q129-R168 PolarHBondContact O-N 3.38Å
130S98.9Very high97.9Very high4 Ų437.8 Ų37.83%0.02822%0.215CC..EExtended strand (participates in β ladder)trans-138.7128.9179.952.70000112.8D42 A43 I128 R168D42-S130 WeakPolarHBondContact CB-O 3.35Å; D42-S130 VanDerWaalsContact CG-OG 3.31Å; D42-S130 PolarHBondContact N-OG 2.88Å; D42-S130 PolarHBondContact OD2-N 3Å; D42-S130 PolarHBondContact OD2-OG 3.36Å; A43-S130 PolarHBondContact N-O 2.89Å; I128-S130 WeakPolarHBondContact CG2-O 3.28Å; S130-R168 VanDerWaalsContact CA-O 3.28Å; S130-R168 WeakPolarHBondContact CA-O 3.2Å
131I98.9Very high97.8Very high0 Ų040.7 Ų40.70%023%0.227CC..EExtended strand (participates in β ladder)trans-134.1140.5177.1-175.4169.5000111.8A43 A45 I99 A119 L120 F133 R168 V169 I170A43-I131 HydrophobicContact CB-CG1 4.35Å; A43-I131 VanDerWaalsContact O-CA 3.27Å; A43-I131 WeakPolarHBondContact O-CA 3.4Å; A45-I131 HydrophobicContact CB-CD1 4.47Å; I99-I131 HydrophobicContact CD1-CD1 3.66Å; A119-I131 HydrophobicContact CB-CD1 4.47Å; L120-I131 HydrophobicContact CD2-CG2 4.32Å; I131-F133 HydrophobicContact CD1-CE1 3.8Å; I131-F133 HydrophobicContact CD1-CE2 3.95Å; I131-F133 HydrophobicContact CD1-CZ 3.48Å; I131-F133 VanDerWaalsContact CD1-CZ 3.48Å; I131-F133 HydrophobicContact CG1-CE2 4.14Å; I131-F133 HydrophobicContact CG1-CZ 4.16Å; I131-F133 HydrophobicContact CG2-CD2 4.44Å; I131-F133 HydrophobicContact CG2-CE2 3.76Å; I131-F133 HydrophobicContact CG2-CZ 4.29Å; I131-R168 PolarHBondContact N-O 3.24Å; I131-V169 HydrophobicContact CG2-CG1 4.4Å; I131-V169 HydrophobicContact CG2-CG2 3.9Å; I131-V169 CarbonylContact O-C 3.58Å; I131-V169 WeakPolarHBondContact O-CA 3.35Å; I131-I170 PolarHBondContact O-N 2.67Å
132A99Very high97.7Very high0 Ų041.2 Ų41.20%024%0.243CC..EExtended strand (participates in β ladder)trans-107.4135.1167.200000111.9I36 L39 I41 A43 I44 A45 I170 C172I36-A132 HydrophobicContact CD1-CB 4Å; I36-A132 HydrophobicContact CG1-CB 4.01Å; L39-A132 HydrophobicContact CD1-CB 3.43Å; L39-A132 VanDerWaalsContact CD1-CB 3.43Å; I41-A132 HydrophobicContact CD1-CB 3.66Å; A43-A132 PolarHBondContact O-N 3.37Å; A43-A132 VanDerWaalsContact O-N 3.09Å; I44-A132 HydrophobicContact CG2-CB 4.26Å; A45-A132 WeakPolarHBondContact CB-O 3.41Å; A45-A132 PolarHBondContact N-O 3.47Å; A132-I170 CarbonylContact C-O 3.59Å; A132-I170 WeakPolarHBondContact CA-O 3.33Å; A132-I170 HydrophobicContact CB-CB 3.99Å; A132-C172 HydrophobicContact CB-CB 4.16Å
133F98.9Very high97.6Very high0 Ų040.2 Ų40.20%024%0.238CC..EExtended strand (participates in β ladder)trans-110.6129.7174.5-70.3-76.7000111.4A45 Y116 A119 L120 I131 I136 V156 V169 I170 F171 C172A45-F133 HydrophobicContact CB-CD1 3.41Å; A45-F133 VanDerWaalsContact CB-CD1 3.41Å; A45-F133 HydrophobicContact CB-CE1 3.8Å; A45-F133 HydrophobicContact CB-CG 4.28Å; Y116-F133 AromaticContact CD1-CD1 3.71Å; Y116-F133 HydrophobicContact CD1-CD1 3.71Å; Y116-F133 HydrophobicContact CD1-CD2 4.39Å; Y116-F133 AromaticContact CD1-CE1 3.73Å; Y116-F133 HydrophobicContact CD1-CE1 3.73Å; Y116-F133 HydrophobicContact CD1-CE2 4.4Å; Y116-F133 HydrophobicContact CD1-CG 4.06Å; Y116-F133 HydrophobicContact CD1-CZ 4.07Å; Y116-F133 HydrophobicContact CE1-CB 4.01Å; Y116-F133 AromaticContact CE1-CD1 3.59Å; Y116-F133 HydrophobicContact CE1-CD1 3.59Å; Y116-F133 HydrophobicContact CE1-CD2 4.39Å; Y116-F133 HydrophobicContact CE1-CE1 4.12Å; Y116-F133 AromaticContact CE1-CG 3.75Å; Y116-F133 HydrophobicContact CE1-CG 3.75Å; A119-F133 HydrophobicContact CB-CE1 3.65Å; A119-F133 HydrophobicContact CB-CZ 3.88Å; L120-F133 HydrophobicContact CD2-CE2 4.06Å; L120-F133 HydrophobicContact CD2-CZ 4.15Å; L120-F133 HydrophobicContact CG-CE2 4.5Å; L120-F133 HydrophobicContact CG-CZ 4.19Å; I131-F133 HydrophobicContact CD1-CE1 3.8Å; I131-F133 HydrophobicContact CD1-CE2 3.95Å; I131-F133 HydrophobicContact CD1-CZ 3.48Å; I131-F133 VanDerWaalsContact CD1-CZ 3.48Å; I131-F133 HydrophobicContact CG1-CE2 4.14Å; I131-F133 HydrophobicContact CG1-CZ 4.16Å; I131-F133 HydrophobicContact CG2-CD2 4.44Å; I131-F133 HydrophobicContact CG2-CE2 3.76Å; I131-F133 HydrophobicContact CG2-CZ 4.29Å; F133-I136 HydrophobicContact CD1-CD1 4.21Å; F133-V156 HydrophobicContact CD2-CG2 4.45Å; F133-V156 HydrophobicContact CE2-CG2 4.19Å; F133-V169 HydrophobicContact CD2-CG1 3.65Å; F133-V169 HydrophobicContact CE2-CG1 3.85Å; F133-I170 PolarHBondContact N-O 3.33Å; F133-F171 HydrophobicContact CB-CD1 4.5Å; F133-C172 PolarHBondContact O-N 3.34Å
134P98.7Very high97.6Very high9 Ų943.3 Ų43.36%0.05826%0.258CS..  trans-78.7175.6160.236.5-32.4000110.1I36 A45 A47 V58 I136 C172I36-P134 HydrophobicContact CD1-CB 4.35Å; I36-P134 HydrophobicContact CD1-CG 4.26Å; A45-P134 VanDerWaalsContact O-CD 3.28Å; A45-P134 WeakPolarHBondContact O-CD 3.46Å; A47-P134 HydrophobicContact CB-CG 4.49Å; V58-P134 HydrophobicContact CG1-CB 4.34Å; V58-P134 HydrophobicContact CG1-CG 4.22Å; V58-P134 HydrophobicContact CG2-CB 4.09Å; V58-P134 HydrophobicContact CG2-CG 4.23Å; P134-I136 PolarHBondContact O-N 3.32Å; P134-I136 VanDerWaalsContact O-N 3.12Å; P134-C172 WeakPolarHBondContact CA-O 3.47Å
135C98.3Very high97.6Very high24 Ų2444.4 Ų44.416%0.16226%0.261CS..  trans-67.2110166.9-58.70000110.3T138C135-T138 HydrophobicContact CB-CG2 4.21Å; C135-T138 WeakPolarHBondContact CB-OG1 3.35Å
136I98.4Very high97.6Very high2 Ų243 Ų431%0.0125%0.254CS..  trans-84.7137.9175.8-61.1169.5000109.6A47 C101 L112 T115 Y116 F133 P134 T138A47-I136 HydrophobicContact CB-CG1 4.24Å; C101-I136 HydrophobicContact CB-CD1 3.63Å; L112-I136 HydrophobicContact CD1-CB 4.08Å; L112-I136 HydrophobicContact CD1-CG2 3.84Å; T115-I136 HydrophobicContact CG2-CD1 4.38Å; T115-I136 HydrophobicContact CG2-CG2 4.38Å; Y116-I136 HydrophobicContact CD1-CD1 4.41Å; Y116-I136 HydrophobicContact CE1-CD1 3.91Å; Y116-I136 HydrophobicContact CE2-CB 4.42Å; Y116-I136 HydrophobicContact CE2-CD1 4.36Å; F133-I136 HydrophobicContact CD1-CD1 4.21Å; P134-I136 PolarHBondContact O-N 3.32Å; P134-I136 VanDerWaalsContact O-N 3.12Å; I136-T138 VanDerWaalsContact C-N 3.25Å; I136-T138 PolarHBondContact O-N 2.89Å; I136-T138 VanDerWaalsContact O-N 3.16Å
137S97.7Very high97.6Very high6 Ų639.9 Ų39.94%0.04224%0.243CC..SBendtrans67.1-2.7177.4-690000118.4G103 P104 Y141 G142 F143G103-S137 VanDerWaalsContact CA-OG 3.27Å; G103-S137 WeakPolarHBondContact CA-OG 3.42Å; P104-S137 WeakPolarHBondContact CD-OG 3.36Å; P104-S137 VanDerWaalsContact O-CB 3.31Å; P104-S137 WeakPolarHBondContact O-CB 3.25Å; P104-S137 PolarHBondContact O-OG 3.03Å; S137-Y141 CarbonylContact O-C 3.45Å; S137-Y141 VanDerWaalsContact O-CB 3.31Å; S137-Y141 WeakPolarHBondContact O-CB 3.4Å; S137-G142 PolarHBondContact O-N 3.16Å; S137-F143 WeakPolarHBondContact O-CB 3.43Å; S137-F143 PolarHBondContact O-N 3.07Å
138T95.5Very high97.6Very high22 Ų2233.7 Ų33.714%0.13521%0.21CC..SBendtrans-86.4-11.7-176.762.40000115.3C135 I136 F143 A148C135-T138 HydrophobicContact CB-CG2 4.21Å; C135-T138 WeakPolarHBondContact CB-OG1 3.35Å; I136-T138 VanDerWaalsContact C-N 3.25Å; I136-T138 PolarHBondContact O-N 2.89Å; I136-T138 VanDerWaalsContact O-N 3.16Å; T138-F143 WeakPolarHBondContact CA-O 3.38Å; T138-A148 HydrophobicContact CG2-CB 3.38Å
139G92.2Very high97.6Very high56 Ų5633.6 Ų33.658%0.57721%0.21SC*.SBendtrans-80.4-124.2176.400000112.3Y141 G142G139-Y141 PolarHBondContact O-N 3Å; G139-G142 PolarHBondContact O-N 3.46Å
140V93.1Very high97.6Very high152 Ų15233.9 Ų33.992%0.92121%0.21SC*.THydrogen-bonded Turntrans-57.3-23.3178.6178.70000112.8G142V140-G142 VanDerWaalsContact C-N 3.29Å; V140-G142 PolarHBondContact O-N 2.84Å
141Y95.9Very high97.6Very high62 Ų6234.4 Ų34.424%0.24321%0.213CC..THydrogen-bonded Turntrans-77.2-11.9177.3-77.614.5000113.3N49 G103 P104 V105 G106 S137 G139 F143N49-Y141 WeakPolarHBondContact CA-OH 3.33Å; N49-Y141 WeakPolarHBondContact CB-OH 3.46Å; G103-Y141 WeakPolarHBondContact O-CE2 3.22Å; P104-Y141 WeakPolarHBondContact O-CD2 3.32Å; V105-Y141 HydrophobicContact CG2-CD1 3.96Å; V105-Y141 HydrophobicContact CG2-CD2 4.05Å; V105-Y141 HydrophobicContact CG2-CE1 4.02Å; V105-Y141 HydrophobicContact CG2-CE2 4.1Å; V105-Y141 HydrophobicContact CG2-CG 3.97Å; G106-Y141 PolarHBondContact N-O 3.5Å; S137-Y141 CarbonylContact O-C 3.45Å; S137-Y141 VanDerWaalsContact O-CB 3.31Å; S137-Y141 WeakPolarHBondContact O-CB 3.4Å; G139-Y141 PolarHBondContact O-N 3Å; Y141-F143 VanDerWaalsContact C-N 3.32Å; Y141-F143 PolarHBondContact O-N 2.89Å
142G96.2Very high97.6Very high50 Ų5034.4 Ų34.452%0.51521%0.213SC..  trans68.920.7164.600000116.1S137 G139 V140S137-G142 PolarHBondContact O-N 3.16Å; G139-G142 PolarHBondContact O-N 3.46Å; V140-G142 VanDerWaalsContact C-N 3.29Å; V140-G142 PolarHBondContact O-N 2.84Å
143F98.3Very high97.6Very high1 Ų134.4 Ų34.40%0.00421%0.213CC..  trans-68.4128.2169.4-155.6-58.7000109.1P104 G106 R107 D109 L112 S137 T138 Y141 N145 A147 A148P104-F143 HydrophobicContact CG-CD2 3.97Å; P104-F143 HydrophobicContact CG-CE2 4.06Å; G106-F143 WeakPolarHBondContact O-CD2 3.45Å; R107-F143 HydrophobicContact CB-CZ 4.49Å; R107-F143 HydrophobicContact CG-CE1 3.92Å; R107-F143 HydrophobicContact CG-CE2 4.27Å; R107-F143 HydrophobicContact CG-CZ 3.79Å; D109-F143 WeakPolarHBondContact OD1-CZ 3.37Å; L112-F143 HydrophobicContact CB-CD2 4.46Å; L112-F143 HydrophobicContact CB-CE2 3.79Å; L112-F143 HydrophobicContact CB-CZ 4.4Å; L112-F143 HydrophobicContact CD2-CD1 4.42Å; L112-F143 HydrophobicContact CD2-CD2 3.85Å; L112-F143 HydrophobicContact CD2-CE1 4.16Å; L112-F143 HydrophobicContact CD2-CE2 3.53Å; L112-F143 HydrophobicContact CD2-CG 4.29Å; L112-F143 HydrophobicContact CD2-CZ 3.71Å; L112-F143 HydrophobicContact CG-CE2 4.27Å; S137-F143 WeakPolarHBondContact O-CB 3.43Å; S137-F143 PolarHBondContact O-N 3.07Å; T138-F143 WeakPolarHBondContact CA-O 3.38Å; Y141-F143 VanDerWaalsContact C-N 3.32Å; Y141-F143 PolarHBondContact O-N 2.89Å; F143-N145 PolarHBondContact O-N 2.9Å; F143-A147 HydrophobicContact CD1-CB 4.41Å; F143-A147 HydrophobicContact CE1-CB 3.81Å; F143-A148 HydrophobicContact CB-CB 4.49Å; F143-A148 HydrophobicContact CD1-CB 3.59Å; F143-A148 HydrophobicContact CE1-CB 4.02Å; F143-A148 HydrophobicContact CG-CB 4.12Å
144P98.2Very high97.5Very high65 Ų6538.4 Ų38.442%0.42223%0.232SC..  trans-56.3126178.3-25.334000112.5E146 A147 A148P144-E146 PolarHBondContact O-N 3.42Å; P144-A147 HydrophobicContact CB-CB 4.24Å; P144-A147 PolarHBondContact O-N 2.9Å; P144-A147 VanDerWaalsContact O-N 3.12Å; P144-A148 PolarHBondContact O-N 2.84Å
145N98.2Very high97.5Very high53 Ų5338.4 Ų38.428%0.28323%0.231SC..Hα-helixtrans-54-49-168.3-58.566.8000113.6F143 A148 A149 D178 I181F143-N145 PolarHBondContact O-N 2.9Å; N145-A148 PolarHBondContact O-N 2.63Å; N145-A149 WeakPolarHBondContact O-CB 3.42Å; N145-A149 PolarHBondContact O-N 2.78Å; N145-D178 PolarHBondContact ND2-OD1 2.98Å; N145-I181 HydrophobicContact CB-CD1 3.61Å
146E98.3Very high97.6Very high99 Ų9937.2 Ų37.246%0.46322%0.223SC..Hα-helixtrans-66.3-40-179.2-167.5-172.2145.700112.3P144 A149 K150 I181 L185P144-E146 PolarHBondContact O-N 3.42Å; E146-A149 PolarHBondContact O-N 2.71Å; E146-K150 WeakPolarHBondContact O-CG 3.41Å; E146-K150 PolarHBondContact O-N 2.91Å; E146-K150 VanDerWaalsContact OE1-CE 3.27Å; E146-K150 WeakPolarHBondContact OE1-CE 3.31Å; E146-K150 IonicContact OE1-NZ 3.7Å; E146-K150 PolarHBondContact OE1-NZ 3.23Å; E146-I181 HydrophobicContact CB-CD1 4.48Å; E146-I181 HydrophobicContact CB-CG2 4.27Å; E146-I181 HydrophobicContact CG-CG2 4.21Å; E146-L185 HydrophobicContact CG-CD1 4.23Å
147A98.5Very high97.5Very high18 Ų1837.2 Ų37.215%0.14922%0.223CC..Hα-helixtrans-65.6-41.6176.600000111.2F143 P144 K150 V151F143-A147 HydrophobicContact CD1-CB 4.41Å; F143-A147 HydrophobicContact CE1-CB 3.81Å; P144-A147 HydrophobicContact CB-CB 4.24Å; P144-A147 PolarHBondContact O-N 2.9Å; P144-A147 VanDerWaalsContact O-N 3.12Å; A147-K150 PolarHBondContact O-N 3.06Å; A147-V151 WeakPolarHBondContact O-CG2 3.4Å; A147-V151 PolarHBondContact O-N 3.06Å
148A98.7Very high97.5Very high2 Ų239.2 Ų39.22%0.01724%0.237CC..Hα-helixtrans-63.3-41.8175.500000112.1L112 T138 F143 P144 N145 V151 A152L112-A148 HydrophobicContact CD2-CB 3.85Å; T138-A148 HydrophobicContact CG2-CB 3.38Å; F143-A148 HydrophobicContact CB-CB 4.49Å; F143-A148 HydrophobicContact CD1-CB 3.59Å; F143-A148 HydrophobicContact CE1-CB 4.02Å; F143-A148 HydrophobicContact CG-CB 4.12Å; P144-A148 PolarHBondContact O-N 2.84Å; N145-A148 PolarHBondContact O-N 2.63Å; A148-V151 PolarHBondContact O-N 2.81Å; A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.38Å
149A98.8Very high97.6Very high0 Ų039.3 Ų39.30%024%0.235CC..Hα-helixtrans-63.2-41.4177.300000111.9N145 E146 A152 L153 I181 Y182 L185N145-A149 WeakPolarHBondContact O-CB 3.42Å; N145-A149 PolarHBondContact O-N 2.78Å; E146-A149 PolarHBondContact O-N 2.71Å; A149-A152 PolarHBondContact O-N 3.12Å; A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 WeakPolarHBondContact O-CG 3.43Å; A149-L153 PolarHBondContact O-N 3.09Å; A149-I181 HydrophobicContact CB-CG2 3.54Å; A149-Y182 HydrophobicContact CB-CD2 3.95Å; A149-Y182 HydrophobicContact CB-CE1 4.24Å; A149-Y182 HydrophobicContact CB-CE2 3.56Å; A149-Y182 HydrophobicContact CB-CG 4.46Å; A149-L185 HydrophobicContact CB-CD1 3.76Å
150K98.7Very high97.9Very high86 Ų8636.7 Ų36.737%0.37421%0.208SC..Hα-helixtrans-61.1-45.4174-73.6177.9-176.1171.60112E146 A147 H154 L185E146-K150 WeakPolarHBondContact O-CG 3.41Å; E146-K150 PolarHBondContact O-N 2.91Å; E146-K150 VanDerWaalsContact OE1-CE 3.27Å; E146-K150 WeakPolarHBondContact OE1-CE 3.31Å; E146-K150 IonicContact OE1-NZ 3.7Å; E146-K150 PolarHBondContact OE1-NZ 3.23Å; A147-K150 PolarHBondContact O-N 3.06Å; K150-H154 WeakPolarHBondContact O-CB 3.37Å; K150-H154 PolarHBondContact O-N 3.03Å; K150-L185 HydrophobicContact CD-CD2 4.42Å; K150-L185 VanDerWaalsContact CE-CD2 3.42Å; K150-L185 HydrophobicContact CG-CD1 3.81Å; K150-L185 HydrophobicContact CG-CD2 4.06Å
151V98.9Very high97.9Very high15 Ų1534.7 Ų34.79%0.09119%0.187CC..Hα-helixtrans-60.1-50.2175173.60000110.4D109 L112 E113 A147 A148 L153 H154 T155D109-V151 HydrophobicContact CB-CG2 4.07Å; L112-V151 HydrophobicContact CB-CG1 4.03Å; L112-V151 HydrophobicContact CD2-CB 4.03Å; L112-V151 HydrophobicContact CD2-CG1 4.03Å; L112-V151 HydrophobicContact CG-CB 4.43Å; L112-V151 HydrophobicContact CG-CG1 3.86Å; E113-V151 HydrophobicContact CB-CG1 4.01Å; A147-V151 WeakPolarHBondContact O-CG2 3.4Å; A147-V151 PolarHBondContact O-N 3.06Å; A148-V151 PolarHBondContact O-N 2.81Å; V151-L153 PolarHBondContact O-N 3.03Å; V151-H154 PolarHBondContact O-N 3.34Å; V151-T155 WeakPolarHBondContact O-CB 3.34Å; V151-T155 PolarHBondContact O-N 2.68Å; V151-T155 PolarHBondContact O-OG1 3.37Å
152A98.9Very high97.8Very high0 Ų035.9 Ų35.90%020%0.204CC..Hα-helixtrans-56.9-49.718000000112.4Y116 A148 A149 V156 F171 Y182Y116-A152 HydrophobicContact CD1-CB 4.45Å; Y116-A152 HydrophobicContact CD2-CB 4.22Å; Y116-A152 HydrophobicContact CE1-CB 3.83Å; Y116-A152 HydrophobicContact CE2-CB 3.56Å; Y116-A152 WeakPolarHBondContact OH-CB 3.22Å; A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.38Å; A149-A152 PolarHBondContact O-N 3.12Å; A152-V156 VanDerWaalsContact O-CB 3.32Å; A152-V156 WeakPolarHBondContact O-CB 3.28Å; A152-V156 VanDerWaalsContact O-CG2 3.22Å; A152-V156 WeakPolarHBondContact O-CG2 3.44Å; A152-V156 PolarHBondContact O-N 3.21Å; A152-F171 HydrophobicContact CB-CE1 4.11Å; A152-Y182 HydrophobicContact CB-CE1 4.46Å; A152-Y182 WeakPolarHBondContact CB-OH 3.35Å
153L98.7Very high97.9Very high1 Ų136 Ų361%0.00519%0.191CC..Hα-helixtrans-63.5-46.1178.5-74.7166.1000111.4A149 V151 V156 L157 F171 Y182 L185 I186 M189A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 WeakPolarHBondContact O-CG 3.43Å; A149-L153 PolarHBondContact O-N 3.09Å; V151-L153 PolarHBondContact O-N 3.03Å; L153-V156 PolarHBondContact O-N 3.19Å; L153-L157 VanDerWaalsContact O-CB 3.27Å; L153-L157 WeakPolarHBondContact O-CB 3.04Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 3.4Å; L153-F171 HydrophobicContact CD2-CD2 4.15Å; L153-F171 HydrophobicContact CD2-CE2 3.46Å; L153-F171 VanDerWaalsContact CD2-CE2 3.46Å; L153-F171 HydrophobicContact CD2-CZ 3.7Å; L153-F171 HydrophobicContact CG-CE2 4.5Å; L153-F171 HydrophobicContact CG-CZ 4.32Å; L153-Y182 HydrophobicContact CD1-CD1 4.15Å; L153-Y182 HydrophobicContact CD1-CE1 4.46Å; L153-Y182 HydrophobicContact CD2-CD1 4.25Å; L153-Y182 HydrophobicContact CD2-CE1 4.44Å; L153-Y182 HydrophobicContact CG-CD1 4.14Å; L153-Y182 HydrophobicContact CG-CE1 4.1Å; L153-L185 HydrophobicContact CD1-CB 3.53Å; L153-L185 HydrophobicContact CD1-CD1 4.27Å; L153-I186 HydrophobicContact CD1-CG1 4.24Å; L153-I186 HydrophobicContact CD2-CG1 3.65Å; L153-M189 HydrophobicContact CB-CB 4.43Å; L153-M189 HydrophobicContact CB-CE 3.86Å; L153-M189 HydrophobicContact CB-CG 4.09Å; L153-M189 HydrophobicContact CD1-CG 4.01Å
154H98.5Very high97.8Very high84 Ų8440.6 Ų40.639%0.38921%0.213SC..Hα-helixtrans-57.7-53.2178.5177.177.4000110.9K150 V151 V156 S158 M189 Y193K150-H154 WeakPolarHBondContact O-CB 3.37Å; K150-H154 PolarHBondContact O-N 3.03Å; V151-H154 PolarHBondContact O-N 3.34Å; H154-V156 PolarHBondContact O-N 3.32Å; H154-S158 WeakPolarHBondContact O-CB 3.49Å; H154-S158 PolarHBondContact O-N 2.87Å; H154-S158 PolarHBondContact O-OG 2.91Å; H154-M189 HydrophobicContact CB-CE 3.81Å; H154-Y193 VanDerWaalsContact CA-OH 3.31Å; H154-Y193 WeakPolarHBondContact CA-OH 3.48Å; H154-Y193 PolarHBondContact CE1-OH 2.97Å; H154-Y193 VanDerWaalsContact CE1-OH 3.31Å; H154-Y193 AromaticContact ND1-CZ 3.97Å; H154-Y193 PolarHBondContact ND1-OH 3.42Å; H154-Y193 PolarHBondContact O-OH 2.67Å
155T98.8Very high97.7Very high8 Ų841.1 Ų41.15%0.04921%0.209CC..Hα-helixtrans-61.9-47.4-177.8-50.50000111.6E113 R117 V151 Y159E113-T155 HydrophobicContact CG-CG2 4.15Å; E113-T155 WeakPolarHBondContact CG-OG1 3.25Å; R117-T155 HydrophobicContact CB-CG2 3.97Å; V151-T155 WeakPolarHBondContact O-CB 3.34Å; V151-T155 PolarHBondContact O-N 2.68Å; V151-T155 PolarHBondContact O-OG1 3.37Å; T155-Y159 WeakPolarHBondContact O-CB 3.4Å; T155-Y159 PolarHBondContact O-N 3.49Å
156V98.8Very high97.7Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-63.4-51.6-179.1168.30000110.8I29 Y116 L120 F133 A152 L153 H154 S158 Y159 L160 V169 F171I29-V156 HydrophobicContact CD1-CG1 3.68Å; Y116-V156 HydrophobicContact CD1-CG2 4.46Å; L120-V156 HydrophobicContact CD1-CG2 4.16Å; F133-V156 HydrophobicContact CD2-CG2 4.45Å; F133-V156 HydrophobicContact CE2-CG2 4.19Å; A152-V156 VanDerWaalsContact O-CB 3.32Å; A152-V156 WeakPolarHBondContact O-CB 3.28Å; A152-V156 VanDerWaalsContact O-CG2 3.22Å; A152-V156 WeakPolarHBondContact O-CG2 3.44Å; A152-V156 PolarHBondContact O-N 3.21Å; L153-V156 PolarHBondContact O-N 3.19Å; H154-V156 PolarHBondContact O-N 3.32Å; V156-S158 VanDerWaalsContact C-N 3.33Å; V156-S158 PolarHBondContact O-N 2.91Å; V156-Y159 PolarHBondContact O-N 3.41Å; V156-L160 HydrophobicContact CG1-CD1 3.73Å; V156-L160 HydrophobicContact CG1-CG 4.14Å; V156-L160 VanDerWaalsContact O-CG 3.27Å; V156-L160 WeakPolarHBondContact O-CG 3.5Å; V156-L160 PolarHBondContact O-N 2.58Å; V156-V169 HydrophobicContact CG1-CB 3.97Å; V156-V169 HydrophobicContact CG1-CG1 3.77Å; V156-V169 HydrophobicContact CG1-CG2 3.99Å; V156-V169 HydrophobicContact CG2-CG1 4.3Å; V156-F171 HydrophobicContact CB-CZ 3.91Å; V156-F171 HydrophobicContact CG1-CE2 4.47Å; V156-F171 HydrophobicContact CG1-CZ 4.01Å; V156-F171 HydrophobicContact CG2-CE1 4.11Å; V156-F171 HydrophobicContact CG2-CZ 3.85Å
157L97.4Very high97.7Very high2 Ų239 Ų391%0.0120%0.198CC..Hα-helixtrans-63-41.2-177.8-68173000111.6L25 I29 L153 Y159 L160 K161 M189 L190 Y193L25-L157 HydrophobicContact CB-CD2 4.12Å; L25-L157 HydrophobicContact CD1-CD2 4.17Å; I29-L157 HydrophobicContact CD1-CD2 3.59Å; I29-L157 HydrophobicContact CD1-CG 4.38Å; I29-L157 HydrophobicContact CG1-CD2 3.82Å; L153-L157 VanDerWaalsContact O-CB 3.27Å; L153-L157 WeakPolarHBondContact O-CB 3.04Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 3.4Å; L157-Y159 VanDerWaalsContact C-N 3.34Å; L157-Y159 PolarHBondContact O-N 3.21Å; L157-L160 PolarHBondContact O-N 3.48Å; L157-K161 PolarHBondContact O-N 3.29Å; L157-M189 HydrophobicContact CD1-CB 3.73Å; L157-L190 HydrophobicContact CD1-CD2 4.48Å; L157-L190 HydrophobicContact CD2-CD2 3.64Å; L157-Y193 HydrophobicContact CB-CD1 3.67Å; L157-Y193 HydrophobicContact CB-CD2 4.4Å; L157-Y193 HydrophobicContact CB-CE1 3.58Å; L157-Y193 HydrophobicContact CB-CE2 4.25Å; L157-Y193 HydrophobicContact CB-CG 4.09Å; L157-Y193 HydrophobicContact CD1-CD2 4.2Å; L157-Y193 HydrophobicContact CD1-CE2 4.22Å; L157-Y193 HydrophobicContact CD1-CG 4.45Å
158S97.2Very high97.7Very high47 Ų4740 Ų4033%0.32920%0.198SC..Hα-helixtrans-59.6-45.4175.3-67.30000111.4H154 V156 Y193H154-S158 WeakPolarHBondContact O-CB 3.49Å; H154-S158 PolarHBondContact O-N 2.87Å; H154-S158 PolarHBondContact O-OG 2.91Å; V156-S158 VanDerWaalsContact C-N 3.33Å; V156-S158 PolarHBondContact O-N 2.91Å; S158-Y193 VanDerWaalsContact N-CE1 3.33Å; S158-Y193 WeakPolarHBondContact OG-CE1 3.43Å; S158-Y193 PolarHBondContact OG-OH 2.78Å
159Y98.3Very high97.7Very high25 Ų2539.9 Ų39.910%0.09820%0.197CC..Hα-helixtrans-66.1-46.7179.8-162.5-86.7000112R117 L120 E121 S124 T155 V156 L157 K161 S162 H163 I166R117-Y159 HydrophobicContact CG-CD2 4.44Å; L120-Y159 HydrophobicContact CB-CD1 3.69Å; L120-Y159 HydrophobicContact CB-CD2 4.04Å; L120-Y159 HydrophobicContact CB-CE1 3.69Å; L120-Y159 HydrophobicContact CB-CE2 4.04Å; L120-Y159 HydrophobicContact CB-CG 3.88Å; L120-Y159 HydrophobicContact CD1-CD1 4.13Å; L120-Y159 HydrophobicContact CD1-CD2 4.3Å; L120-Y159 HydrophobicContact CD1-CG 3.78Å; L120-Y159 HydrophobicContact CD2-CD1 4.45Å; L120-Y159 HydrophobicContact CG-CD1 4.3Å; L120-Y159 HydrophobicContact CG-CG 4.37Å; L120-Y159 PolarHBondContact O-OH 2.84Å; E121-Y159 WeakPolarHBondContact CA-OH 3.17Å; E121-Y159 HydrophobicContact CG-CE2 4.06Å; S124-Y159 PolarHBondContact OG-OH 2.92Å; T155-Y159 WeakPolarHBondContact O-CB 3.4Å; T155-Y159 PolarHBondContact O-N 3.49Å; V156-Y159 PolarHBondContact O-N 3.41Å; L157-Y159 VanDerWaalsContact C-N 3.34Å; L157-Y159 PolarHBondContact O-N 3.21Å; Y159-K161 PolarHBondContact O-N 3Å; Y159-S162 PolarHBondContact O-N 3.47Å; Y159-H163 HydrophobicContact CD1-CB 3.81Å; Y159-H163 AromaticContact CD1-CG 3.66Å; Y159-H163 AromaticContact CD1-ND1 3.49Å; Y159-H163 WeakPolarHBondContact CD1-ND1 3.44Å; Y159-H163 HydrophobicContact CE1-CB 3.63Å; Y159-H163 AromaticContact CE1-CD2 3.64Å; Y159-H163 AromaticContact CE1-CE1 3.86Å; Y159-H163 AromaticContact CE1-CG 3.29Å; Y159-H163 AromaticContact CE1-ND1 3.45Å; Y159-H163 WeakPolarHBondContact CE1-ND1 3.43Å; Y159-H163 AromaticContact CE2-CE1 3.7Å; Y159-H163 AromaticContact CG-ND1 3.79Å; Y159-H163 AromaticContact CZ-CD2 3.69Å; Y159-H163 AromaticContact CZ-CE1 3.61Å; Y159-H163 AromaticContact CZ-CG 3.76Å; Y159-H163 AromaticContact CZ-ND1 3.71Å; Y159-H163 AromaticContact CZ-NE2 3.63Å; Y159-H163 WeakPolarHBondContact O-CB 3.25Å; Y159-H163 PolarHBondContact O-N 3.41Å; Y159-H163 PolarHBondContact O-ND1 2.96Å; Y159-I166 HydrophobicContact CD1-CD1 4.06Å; Y159-I166 HydrophobicContact CE1-CD1 3.74Å
160L97.3Very high97.7Very high0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-63.8-23.4-176.8-66.7179.1000113.3L25 R28 I29 V156 L157 S162 Q164 I166 V169L25-L160 HydrophobicContact CD2-CB 3.67Å; R28-L160 PolarHBondContact NH1-O 2.9Å; R28-L160 PolarHBondContact NH2-O 3.48Å; I29-L160 HydrophobicContact CD1-CD1 3.88Å; I29-L160 HydrophobicContact CG1-CD1 4.34Å; V156-L160 HydrophobicContact CG1-CD1 3.73Å; V156-L160 HydrophobicContact CG1-CG 4.14Å; V156-L160 VanDerWaalsContact O-CG 3.27Å; V156-L160 WeakPolarHBondContact O-CG 3.5Å; V156-L160 PolarHBondContact O-N 2.58Å; L157-L160 PolarHBondContact O-N 3.48Å; L160-S162 VanDerWaalsContact C-N 3.3Å; L160-S162 PolarHBondContact O-N 3.01Å; L160-Q164 PolarHBondContact O-NE2 3.17Å; L160-I166 HydrophobicContact CD2-CB 3.76Å; L160-I166 HydrophobicContact CD2-CG2 3.68Å; L160-V169 HydrophobicContact CD1-CB 4.35Å; L160-V169 HydrophobicContact CD1-CG2 3.91Å; L160-V169 HydrophobicContact CD2-CG2 3.83Å; L160-V169 HydrophobicContact CG-CG2 4.31Å
161K94.4Very high97.7Very high110 Ų11035.8 Ų35.848%0.47818%0.179SC..Hα-helixtrans-58.7-39.9176.3-79.5-174.369.4151.40112.6L25 L157 Y159 Q164 Y193L25-K161 HydrophobicContact CD1-CD 4.28Å; L25-K161 HydrophobicContact CD1-CG 3.8Å; L25-K161 HydrophobicContact CD2-CG 4.23Å; L25-K161 HydrophobicContact CG-CG 4.47Å; L157-K161 PolarHBondContact O-N 3.29Å; Y159-K161 PolarHBondContact O-N 3Å; K161-Q164 PolarHBondContact O-NE2 3.28Å; K161-Y193 HydrophobicContact CD-CD1 3.71Å; K161-Y193 HydrophobicContact CG-CD1 4.47Å; K161-Y193 PolarHBondContact NZ-O 3.09Å
162S93.7Very high97.7Very high88 Ų8835.2 Ų35.262%0.61518%0.176SC*.Hα-helixtrans-103.5-6.1-177.759.30000114.8Y159 L160Y159-S162 PolarHBondContact O-N 3.47Å; L160-S162 VanDerWaalsContact C-N 3.3Å; L160-S162 PolarHBondContact O-N 3.01Å
163H97.2Very high97.7Very high52 Ų5235.3 Ų35.324%0.24118%0.176CC..  trans-121.686.7-173.5-63.590.3000110R28 Y159 E165R28-H163 PolarHBondContact NH2-O 3.46Å; Y159-H163 HydrophobicContact CD1-CB 3.81Å; Y159-H163 AromaticContact CD1-CG 3.66Å; Y159-H163 AromaticContact CD1-ND1 3.49Å; Y159-H163 WeakPolarHBondContact CD1-ND1 3.44Å; Y159-H163 HydrophobicContact CE1-CB 3.63Å; Y159-H163 AromaticContact CE1-CD2 3.64Å; Y159-H163 AromaticContact CE1-CE1 3.86Å; Y159-H163 AromaticContact CE1-CG 3.29Å; Y159-H163 AromaticContact CE1-ND1 3.45Å; Y159-H163 WeakPolarHBondContact CE1-ND1 3.43Å; Y159-H163 AromaticContact CE2-CE1 3.7Å; Y159-H163 AromaticContact CG-ND1 3.79Å; Y159-H163 AromaticContact CZ-CD2 3.69Å; Y159-H163 AromaticContact CZ-CE1 3.61Å; Y159-H163 AromaticContact CZ-CG 3.76Å; Y159-H163 AromaticContact CZ-ND1 3.71Å; Y159-H163 AromaticContact CZ-NE2 3.63Å; Y159-H163 WeakPolarHBondContact O-CB 3.25Å; Y159-H163 PolarHBondContact O-N 3.41Å; Y159-H163 PolarHBondContact O-ND1 2.96Å; H163-E165 VanDerWaalsContact C-N 3.3Å; H163-E165 WeakPolarHBondContact CA-OE2 3.33Å; H163-E165 WeakPolarHBondContact CB-OE1 3.19Å; H163-E165 IonicContact CD2-OE1 3.69Å; H163-E165 PolarHBondContact CD2-OE1 2.74Å; H163-E165 VanDerWaalsContact CD2-OE1 3.32Å; H163-E165 IonicContact CG-OE1 2.73Å
164Q95.8Very high97.5Very high98 Ų9842.2 Ų42.246%0.45821%0.207SC..THydrogen-bonded Turntrans-77.1-16.2-175-60.2-57.9-51.300113.4N24 R28 L160 K161 I166N24-Q164 PolarHBondContact ND2-OE1 2.8Å; R28-Q164 VanDerWaalsContact NH1-OE1 3.13Å; L160-Q164 PolarHBondContact O-NE2 3.17Å; K161-Q164 PolarHBondContact O-NE2 3.28Å; Q164-I166 VanDerWaalsContact C-N 3.25Å; Q164-I166 PolarHBondContact O-N 3.25Å
165E97.3Very high97.4Very high75 Ų7543 Ų4335%0.3521%0.212SC..THydrogen-bonded Turntrans-64.7-27.2177.770.5-76.5-176.700113S124 Q129 H163 Q167S124-E165 WeakPolarHBondContact CB-OE1 3.27Å; S124-E165 PolarHBondContact OG-OE1 2.73Å; Q129-E165 WeakPolarHBondContact CG-O 3.39Å; H163-E165 VanDerWaalsContact C-N 3.3Å; H163-E165 WeakPolarHBondContact CA-OE2 3.33Å; H163-E165 WeakPolarHBondContact CB-OE1 3.19Å; H163-E165 IonicContact CD2-OE1 3.69Å; H163-E165 PolarHBondContact CD2-OE1 2.74Å; H163-E165 VanDerWaalsContact CD2-OE1 3.32Å; H163-E165 IonicContact CG-OE1 2.73Å; E165-Q167 PolarHBondContact O-N 2.96Å
166I98.4Very high97.3Very high0 Ų045.6 Ų45.60%023%0.226CC..  trans-83.994.9173.5-55.9-179.3000109.2R28 L120 C123 Q129 Y159 L160 Q164 V169R28-I166 VanDerWaalsContact CZ-O 3.26Å; R28-I166 PolarHBondContact NE-O 3.12Å; R28-I166 PolarHBondContact NH2-O 3.1Å; L120-I166 HydrophobicContact CB-CD1 4.37Å; L120-I166 HydrophobicContact CD2-CD1 3.9Å; C123-I166 HydrophobicContact CB-CD1 3.77Å; C123-I166 HydrophobicContact CB-CG1 4.21Å; Q129-I166 CarbonylContact O-C 3.56Å; Y159-I166 HydrophobicContact CD1-CD1 4.06Å; Y159-I166 HydrophobicContact CE1-CD1 3.74Å; L160-I166 HydrophobicContact CD2-CB 3.76Å; L160-I166 HydrophobicContact CD2-CG2 3.68Å; Q164-I166 VanDerWaalsContact C-N 3.25Å; Q164-I166 PolarHBondContact O-N 3.25Å; I166-V169 HydrophobicContact CG2-CG2 3.87Å
167Q97.8Very high97.1Very high109 Ų10949.4 Ų49.451%0.50925%0.249SC..  trans-74.2-29.1-175.8-62-175.5-0.500114.1R28 Q129 E165R28-Q167 WeakPolarHBondContact CG-O 3.32Å; Q129-Q167 HydrophobicContact CB-CB 4.46Å; Q129-Q167 HydrophobicContact CB-CG 4.24Å; Q129-Q167 PolarHBondContact O-N 2.92Å; E165-Q167 PolarHBondContact O-N 2.96Å
168R98.5Very high97.1Very high37 Ų3749.8 Ų49.814%0.1425%0.251CS..EExtended strand (participates in β ladder)trans-144130178.7-165.974.867.381.74.6113.3L5 V8 R28 S30 Q129 S130 I131 I170L5-R168 HydrophobicContact CD2-CB 3.92Å; L5-R168 HydrophobicContact CD2-CG 3.89Å; L5-R168 PolarHBondContact O-NH1 3.06Å; V8-R168 PolarHBondContact O-NH1 3.37Å; R28-R168 CarbonylContact O-C 3.49Å; R28-R168 WeakPolarHBondContact O-CA 3.34Å; R28-R168 WeakPolarHBondContact O-CD 3.27Å; S30-R168 PolarHBondContact OG-NH1 3.3Å; S30-R168 VanDerWaalsContact OG-NH1 3.12Å; Q129-R168 PolarHBondContact O-N 3.38Å; S130-R168 VanDerWaalsContact CA-O 3.28Å; S130-R168 WeakPolarHBondContact CA-O 3.2Å; I131-R168 PolarHBondContact N-O 3.24Å; R168-I170 HydrophobicContact CG-CG1 3.87Å
169V98.9Very high97.2Very high0 Ų050.3 Ų50.30%025%0.246CC..EExtended strand (participates in β ladder)trans-112.6125.8161.1-179.20000109.4R28 I29 S30 L120 I131 F133 V156 L160 I166R28-V169 PolarHBondContact O-N 3.18Å; I29-V169 CarbonylContact C-O 3.56Å; I29-V169 WeakPolarHBondContact CA-O 3.21Å; S30-V169 PolarHBondContact N-O 3.32Å; L120-V169 HydrophobicContact CD2-CG2 4.31Å; I131-V169 HydrophobicContact CG2-CG1 4.4Å; I131-V169 HydrophobicContact CG2-CG2 3.9Å; I131-V169 CarbonylContact O-C 3.58Å; I131-V169 WeakPolarHBondContact O-CA 3.35Å; F133-V169 HydrophobicContact CD2-CG1 3.65Å; F133-V169 HydrophobicContact CE2-CG1 3.85Å; V156-V169 HydrophobicContact CG1-CB 3.97Å; V156-V169 HydrophobicContact CG1-CG1 3.77Å; V156-V169 HydrophobicContact CG1-CG2 3.99Å; V156-V169 HydrophobicContact CG2-CG1 4.3Å; L160-V169 HydrophobicContact CD1-CB 4.35Å; L160-V169 HydrophobicContact CD1-CG2 3.91Å; L160-V169 HydrophobicContact CD2-CG2 3.83Å; L160-V169 HydrophobicContact CG-CG2 4.31Å; I166-V169 HydrophobicContact CG2-CG2 3.87Å
170I98.9Very high97.1Very high0 Ų054.2 Ų54.20%026%0.263CS..EExtended strand (participates in β ladder)trans-107.6117.1176.9-51.8176.6000108.4L5 V8 S30 W32 L39 I41 I131 A132 F133 R168 C172L5-I170 HydrophobicContact CD2-CD1 4.06Å; V8-I170 HydrophobicContact CB-CD1 4.33Å; V8-I170 HydrophobicContact CG1-CD1 4.16Å; V8-I170 HydrophobicContact CG1-CG1 4.47Å; V8-I170 HydrophobicContact CG1-CG2 4.1Å; V8-I170 HydrophobicContact CG2-CD1 4.42Å; S30-I170 CarbonylContact O-C 3.57Å; S30-I170 WeakPolarHBondContact O-CA 3.49Å; W32-I170 HydrophobicContact CB-CG2 3.88Å; L39-I170 HydrophobicContact CD1-CD1 4.47Å; I41-I170 HydrophobicContact CD1-CD1 4.19Å; I41-I170 HydrophobicContact CG2-CD1 4.43Å; I131-I170 PolarHBondContact O-N 2.67Å; A132-I170 CarbonylContact C-O 3.59Å; A132-I170 WeakPolarHBondContact CA-O 3.33Å; A132-I170 HydrophobicContact CB-CB 3.99Å; F133-I170 PolarHBondContact N-O 3.33Å; R168-I170 HydrophobicContact CG-CG1 3.87Å; I170-C172 HydrophobicContact CG2-CB 4.4Å; I170-C172 PolarHBondContact O-N 3.12Å; I170-C172 VanDerWaalsContact O-N 3.17Å
171F98.9Very high97.2Very high0 Ų055.6 Ų55.60%027%0.27CS..EExtended strand (participates in β ladder)trans-7799.3161.9-64.5-72.5000107.9I29 S30 L31 W32 F133 A152 L153 V156 I173 Y182I29-F171 HydrophobicContact CD1-CE2 3.85Å; I29-F171 HydrophobicContact CG2-CD2 3.91Å; I29-F171 HydrophobicContact CG2-CE2 3.87Å; S30-F171 PolarHBondContact O-N 3.04Å; L31-F171 HydrophobicContact CD1-CB 4.06Å; W32-F171 PolarHBondContact N-O 2.9Å; F133-F171 HydrophobicContact CB-CD1 4.5Å; A152-F171 HydrophobicContact CB-CE1 4.11Å; L153-F171 HydrophobicContact CD2-CD2 4.15Å; L153-F171 HydrophobicContact CD2-CE2 3.46Å; L153-F171 VanDerWaalsContact CD2-CE2 3.46Å; L153-F171 HydrophobicContact CD2-CZ 3.7Å; L153-F171 HydrophobicContact CG-CE2 4.5Å; L153-F171 HydrophobicContact CG-CZ 4.32Å; V156-F171 HydrophobicContact CB-CZ 3.91Å; V156-F171 HydrophobicContact CG1-CE2 4.47Å; V156-F171 HydrophobicContact CG1-CZ 4.01Å; V156-F171 HydrophobicContact CG2-CE1 4.11Å; V156-F171 HydrophobicContact CG2-CZ 3.85Å; F171-I173 HydrophobicContact CB-CD1 4.19Å; F171-I173 HydrophobicContact CB-CG1 4.4Å; F171-I173 PolarHBondContact O-N 2.78Å; F171-Y182 HydrophobicContact CB-CD1 4.04Å; F171-Y182 HydrophobicContact CB-CE1 4.11Å; F171-Y182 HydrophobicContact CD1-CD1 4.06Å; F171-Y182 AromaticContact CD1-CE1 3.37Å; F171-Y182 HydrophobicContact CD1-CE1 3.37Å; F171-Y182 HydrophobicContact CD2-CD1 4.29Å; F171-Y182 HydrophobicContact CD2-CE1 4.34Å; F171-Y182 AromaticContact CE1-CE1 3.8Å; F171-Y182 HydrophobicContact CE1-CE1 3.8Å; F171-Y182 AromaticContact CG-CD1 3.87Å; F171-Y182 HydrophobicContact CG-CD1 3.87Å; F171-Y182 AromaticContact CG-CE1 3.68Å; F171-Y182 HydrophobicContact CG-CE1 3.68Å; F171-Y182 HydrophobicContact CZ-CE1 4.43Å
172C98.7Very high97.4Very high4 Ų450.5 Ų50.53%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-93.293.6-178.2-179.40000109.6W32 I36 L39 A132 F133 P134 I170W32-C172 HydrophobicContact CE3-CB 4.36Å; W32-C172 VanDerWaalsContact CZ3-SG 3.58Å; W32-C172 CarbonylContact O-C 3.23Å; W32-C172 WeakPolarHBondContact O-CA 3.43Å; I36-C172 VanDerWaalsContact CA-SG 3.6Å; I36-C172 HydrophobicContact CB-CB 4.38Å; I36-C172 HydrophobicContact CD1-CB 4.17Å; I36-C172 HydrophobicContact CG1-CB 4.02Å; L39-C172 HydrophobicContact CD1-CB 4.15Å; A132-C172 HydrophobicContact CB-CB 4.16Å; F133-C172 PolarHBondContact O-N 3.34Å; P134-C172 WeakPolarHBondContact CA-O 3.47Å; I170-C172 HydrophobicContact CG2-CB 4.4Å; I170-C172 PolarHBondContact O-N 3.12Å; I170-C172 VanDerWaalsContact O-N 3.17Å
173I97.8Very high97.6Very high1 Ų150.1 Ų50.11%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-99.9133.4-170-50.7-57.6000110.3L31 W32 R33 G34 F171 D178 Y179 Y182L31-I173 HydrophobicContact CD1-CG1 3.65Å; W32-I173 PolarHBondContact O-N 3.28Å; R33-I173 WeakPolarHBondContact CA-O 3.38Å; R33-I173 VanDerWaalsContact CG-O 3.29Å; R33-I173 WeakPolarHBondContact CG-O 3.46Å; G34-I173 PolarHBondContact N-O 3.36Å; F171-I173 HydrophobicContact CB-CD1 4.19Å; F171-I173 HydrophobicContact CB-CG1 4.4Å; F171-I173 PolarHBondContact O-N 2.78Å; I173-D178 HydrophobicContact CG2-CB 3.28Å; I173-Y179 HydrophobicContact CB-CD2 4.48Å; I173-Y182 HydrophobicContact CD1-CD2 3.69Å; I173-Y182 HydrophobicContact CD1-CE1 4.5Å; I173-Y182 HydrophobicContact CD1-CE2 3.56Å; I173-Y182 HydrophobicContact CD1-CG 4.22Å; I173-Y182 HydrophobicContact CG1-CD2 4.09Å; I173-Y182 HydrophobicContact CG1-CE2 4.45Å; I173-Y182 HydrophobicContact CG1-CG 4.37Å
174F95.6Very high97.6Very high146 Ų14653.3 Ų53.364%0.6426%0.255SS*.  trans-90.8-47.1-179.2-173-105.1000112.3R33R33-F174 PolarHBondContact NE-O 3.4Å
175M95.8Very high97.7Very high101 Ų10149 Ų4950%0.49824%0.236SC..SBendtrans-85.5143.8-173.9-59.8-64.1-73.600111.9V177 D178 Y179M175-V177 VanDerWaalsContact C-N 3.31Å; M175-V177 HydrophobicContact CB-CG1 4.07Å; M175-V177 PolarHBondContact O-N 3.42Å; M175-D178 HydrophobicContact CB-CB 4.49Å; M175-D178 WeakPolarHBondContact CB-OD2 3.4Å; M175-D178 PolarHBondContact O-N 2.93Å; M175-Y179 PolarHBondContact O-N 2.99Å
176D95.7Very high97.6Very high63 Ų6345.6 Ų45.634%0.33722%0.22SC..Hα-helixtrans-62.6-37.7179.3-165.571.2000112.8R33 Y179 K180R33-D176 IonicContact CZ-OD1 3.65Å; R33-D176 IonicContact NH1-OD1 2.79Å; R33-D176 PolarHBondContact NH1-OD1 2.9Å; D176-Y179 PolarHBondContact O-N 3.28Å; D176-K180 WeakPolarHBondContact O-CG 3.41Å; D176-K180 PolarHBondContact O-N 3.3Å; D176-K180 VanDerWaalsContact OD2-CE 3.24Å; D176-K180 WeakPolarHBondContact OD2-CE 3.27Å; D176-K180 IonicContact OD2-NZ 2.78Å; D176-K180 PolarHBondContact OD2-NZ 3.39Å
177V95.7Very high97.3Very high80 Ų8048.5 Ų48.549%0.48524%0.239SC..Hα-helixtrans-62.3-46.5178.860.90000111.5M175 Y179 K180 I181M175-V177 VanDerWaalsContact C-N 3.31Å; M175-V177 HydrophobicContact CB-CG1 4.07Å; M175-V177 PolarHBondContact O-N 3.42Å; V177-Y179 VanDerWaalsContact C-N 3.35Å; V177-K180 PolarHBondContact O-N 2.92Å; V177-I181 HydrophobicContact CG2-CD1 4.35Å; V177-I181 WeakPolarHBondContact O-CG1 3.18Å; V177-I181 PolarHBondContact O-N 2.94Å; V177-I181 VanDerWaalsContact O-N 3.15Å
178D97.4Very high97.1Very high10 Ų1049.1 Ų49.15%0.05324%0.241CC..Hα-helixtrans-66.3-40176.4-67.8-67.4000110.7N145 I173 M175 K180 I181 Y182N145-D178 PolarHBondContact ND2-OD1 2.98Å; I173-D178 HydrophobicContact CG2-CB 3.28Å; M175-D178 HydrophobicContact CB-CB 4.49Å; M175-D178 WeakPolarHBondContact CB-OD2 3.4Å; M175-D178 PolarHBondContact O-N 2.93Å; D178-K180 VanDerWaalsContact C-N 3.32Å; D178-K180 PolarHBondContact O-N 3.34Å; D178-I181 WeakPolarHBondContact O-CB 3.3Å; D178-I181 PolarHBondContact O-N 3.44Å; D178-I181 VanDerWaalsContact O-N 3.13Å; D178-Y182 WeakPolarHBondContact O-CD2 3.31Å; D178-Y182 PolarHBondContact O-N 3.44Å
179Y98.1Very high96.9Very high57 Ų5748.5 Ų48.522%0.22424%0.24CC..Hα-helixtrans-59-46.5-179.8-176.1-83.7000110.9L31 R33 I173 M175 D176 V177 I181 Y182 E183L31-Y179 HydrophobicContact CD1-CD2 4.17Å; L31-Y179 HydrophobicContact CD1-CE2 4.25Å; L31-Y179 HydrophobicContact CD2-CD1 4.48Å; L31-Y179 HydrophobicContact CD2-CD2 4.17Å; L31-Y179 HydrophobicContact CD2-CE1 4.13Å; L31-Y179 HydrophobicContact CD2-CE2 3.84Å; L31-Y179 HydrophobicContact CD2-CG 4.5Å; L31-Y179 HydrophobicContact CG-CD2 4Å; L31-Y179 HydrophobicContact CG-CE2 3.59Å; R33-Y179 HydrophobicContact CB-CD2 3.65Å; R33-Y179 HydrophobicContact CB-CE2 3.86Å; R33-Y179 HydrophobicContact CG-CD2 4.32Å; I173-Y179 HydrophobicContact CB-CD2 4.48Å; M175-Y179 PolarHBondContact O-N 2.99Å; D176-Y179 PolarHBondContact O-N 3.28Å; V177-Y179 VanDerWaalsContact C-N 3.35Å; Y179-I181 VanDerWaalsContact C-N 3.33Å; Y179-I181 PolarHBondContact O-N 3.31Å; Y179-Y182 PolarHBondContact O-N 3.4Å; Y179-E183 HydrophobicContact CE1-CB 4.34Å; Y179-E183 VanDerWaalsContact O-CB 3.3Å; Y179-E183 WeakPolarHBondContact O-CB 3.48Å; Y179-E183 PolarHBondContact O-N 2.82Å
180K98.2Very high96.5Very high107 Ų10748.8 Ų48.847%0.46524%0.242SC..Hα-helixtrans-62.3-38176.2-74.7169.7173159.50112.8D176 V177 D178 N184D176-K180 WeakPolarHBondContact O-CG 3.41Å; D176-K180 PolarHBondContact O-N 3.3Å; D176-K180 VanDerWaalsContact OD2-CE 3.24Å; D176-K180 WeakPolarHBondContact OD2-CE 3.27Å; D176-K180 IonicContact OD2-NZ 2.78Å; D176-K180 PolarHBondContact OD2-NZ 3.39Å; V177-K180 PolarHBondContact O-N 2.92Å; D178-K180 VanDerWaalsContact C-N 3.32Å; D178-K180 PolarHBondContact O-N 3.34Å; K180-N184 WeakPolarHBondContact O-CB 3.31Å; K180-N184 PolarHBondContact O-N 3.2Å; K180-N184 PolarHBondContact O-ND2 3.45Å
181I98.6Very high96.1Very high29 Ų2953.4 Ų53.415%0.14927%0.267CS..Hα-helixtrans-60-52174.8-73167.3000110N145 E146 A149 V177 D178 Y179 N184 L185N145-I181 HydrophobicContact CB-CD1 3.61Å; E146-I181 HydrophobicContact CB-CD1 4.48Å; E146-I181 HydrophobicContact CB-CG2 4.27Å; E146-I181 HydrophobicContact CG-CG2 4.21Å; A149-I181 HydrophobicContact CB-CG2 3.54Å; V177-I181 HydrophobicContact CG2-CD1 4.35Å; V177-I181 WeakPolarHBondContact O-CG1 3.18Å; V177-I181 PolarHBondContact O-N 2.94Å; V177-I181 VanDerWaalsContact O-N 3.15Å; D178-I181 WeakPolarHBondContact O-CB 3.3Å; D178-I181 PolarHBondContact O-N 3.44Å; D178-I181 VanDerWaalsContact O-N 3.13Å; Y179-I181 VanDerWaalsContact C-N 3.33Å; Y179-I181 PolarHBondContact O-N 3.31Å; I181-N184 PolarHBondContact O-N 2.81Å; I181-L185 HydrophobicContact CG2-CD1 3.7Å; I181-L185 WeakPolarHBondContact O-CB 3.44Å; I181-L185 VanDerWaalsContact O-CG 3.25Å; I181-L185 WeakPolarHBondContact O-CG 3.5Å; I181-L185 PolarHBondContact O-N 3.29Å
182Y98.6Very high95.6Very high3 Ų357.5 Ų57.51%0.01230%0.295CS..Hα-helixtrans-64.5-42.6179-84-95.8000112.1L31 A149 A152 L153 F171 I173 D178 Y179 N184 L185 I186L31-Y182 HydrophobicContact CD1-CG 4.25Å; A149-Y182 HydrophobicContact CB-CD2 3.95Å; A149-Y182 HydrophobicContact CB-CE1 4.24Å; A149-Y182 HydrophobicContact CB-CE2 3.56Å; A149-Y182 HydrophobicContact CB-CG 4.46Å; A152-Y182 HydrophobicContact CB-CE1 4.46Å; A152-Y182 WeakPolarHBondContact CB-OH 3.35Å; L153-Y182 HydrophobicContact CD1-CD1 4.15Å; L153-Y182 HydrophobicContact CD1-CE1 4.46Å; L153-Y182 HydrophobicContact CD2-CD1 4.25Å; L153-Y182 HydrophobicContact CD2-CE1 4.44Å; L153-Y182 HydrophobicContact CG-CD1 4.14Å; L153-Y182 HydrophobicContact CG-CE1 4.1Å; F171-Y182 HydrophobicContact CB-CD1 4.04Å; F171-Y182 HydrophobicContact CB-CE1 4.11Å; F171-Y182 HydrophobicContact CD1-CD1 4.06Å; F171-Y182 AromaticContact CD1-CE1 3.37Å; F171-Y182 HydrophobicContact CD1-CE1 3.37Å; F171-Y182 HydrophobicContact CD2-CD1 4.29Å; F171-Y182 HydrophobicContact CD2-CE1 4.34Å; F171-Y182 AromaticContact CE1-CE1 3.8Å; F171-Y182 HydrophobicContact CE1-CE1 3.8Å; F171-Y182 AromaticContact CG-CD1 3.87Å; F171-Y182 HydrophobicContact CG-CD1 3.87Å; F171-Y182 AromaticContact CG-CE1 3.68Å; F171-Y182 HydrophobicContact CG-CE1 3.68Å; F171-Y182 HydrophobicContact CZ-CE1 4.43Å; I173-Y182 HydrophobicContact CD1-CD2 3.69Å; I173-Y182 HydrophobicContact CD1-CE1 4.5Å; I173-Y182 HydrophobicContact CD1-CE2 3.56Å; I173-Y182 HydrophobicContact CD1-CG 4.22Å; I173-Y182 HydrophobicContact CG1-CD2 4.09Å; I173-Y182 HydrophobicContact CG1-CE2 4.45Å; I173-Y182 HydrophobicContact CG1-CG 4.37Å; D178-Y182 WeakPolarHBondContact O-CD2 3.31Å; D178-Y182 PolarHBondContact O-N 3.44Å; Y179-Y182 PolarHBondContact O-N 3.4Å; Y182-N184 VanDerWaalsContact C-N 3.27Å; Y182-N184 PolarHBondContact O-N 3.38Å; Y182-L185 PolarHBondContact O-N 3.31Å; Y182-I186 WeakPolarHBondContact O-CB 3.38Å; Y182-I186 WeakPolarHBondContact O-CD1 3.33Å; Y182-I186 WeakPolarHBondContact O-CG1 2.95Å; Y182-I186 PolarHBondContact O-N 3.31Å
183E97.2Very high95Very high81 Ų8158.5 Ų58.538%0.37930%0.299SS..Hα-helixtrans-57.4-40.8178.2-175.1172-120.200112W11 L31 Y179 P187W11-E183 HydrophobicContact CH2-CG 4.23Å; L31-E183 HydrophobicContact CD2-CB 3.8Å; Y179-E183 HydrophobicContact CE1-CB 4.34Å; Y179-E183 VanDerWaalsContact O-CB 3.3Å; Y179-E183 WeakPolarHBondContact O-CB 3.48Å; Y179-E183 PolarHBondContact O-N 2.82Å; E183-P187 VanDerWaalsContact O-CD 3.25Å; E183-P187 WeakPolarHBondContact O-CD 3.3Å
184N96.8Very high93.9Very high118 Ų11866.2 Ų66.263%0.63133%0.332SS*.Hα-helixtrans-72.8-38.2176.6-70.1-22.9000112.9K180 I181 Y182K180-N184 WeakPolarHBondContact O-CB 3.31Å; K180-N184 PolarHBondContact O-N 3.2Å; K180-N184 PolarHBondContact O-ND2 3.45Å; I181-N184 PolarHBondContact O-N 2.81Å; Y182-N184 VanDerWaalsContact C-N 3.27Å; Y182-N184 PolarHBondContact O-N 3.38Å
185L97.6Very high93.9Very high9 Ų962.3 Ų62.35%0.04732%0.317CS..Hα-helixtrans-80-32.7-174.7-70.5173.3000113.6E146 A149 K150 L153 I181 Y182 E188 M189E146-L185 HydrophobicContact CG-CD1 4.23Å; A149-L185 HydrophobicContact CB-CD1 3.76Å; K150-L185 HydrophobicContact CD-CD2 4.42Å; K150-L185 VanDerWaalsContact CE-CD2 3.42Å; K150-L185 HydrophobicContact CG-CD1 3.81Å; K150-L185 HydrophobicContact CG-CD2 4.06Å; L153-L185 HydrophobicContact CD1-CB 3.53Å; L153-L185 HydrophobicContact CD1-CD1 4.27Å; I181-L185 HydrophobicContact CG2-CD1 3.7Å; I181-L185 WeakPolarHBondContact O-CB 3.44Å; I181-L185 VanDerWaalsContact O-CG 3.25Å; I181-L185 WeakPolarHBondContact O-CG 3.5Å; I181-L185 PolarHBondContact O-N 3.29Å; Y182-L185 PolarHBondContact O-N 3.31Å; L185-E188 PolarHBondContact O-N 3.03Å; L185-M189 HydrophobicContact CB-CG 4.45Å; L185-M189 WeakPolarHBondContact O-CB 3.34Å; L185-M189 WeakPolarHBondContact O-CG 3.37Å; L185-M189 PolarHBondContact O-N 2.96Å
186I96.2Very high93.8Very high2 Ų260.2 Ų60.21%0.0131%0.307CS..Hα-helixtrans-57.4-45.9-173.4-73.1162.4000112.9W11 L31 L153 Y182 M189 L190W11-I186 HydrophobicContact CB-CG2 4.5Å; W11-I186 HydrophobicContact CD2-CB 4.2Å; W11-I186 HydrophobicContact CD2-CG2 3.36Å; W11-I186 VanDerWaalsContact CE2-CG2 3.46Å; W11-I186 HydrophobicContact CE3-CB 4.26Å; W11-I186 HydrophobicContact CE3-CD1 3.84Å; W11-I186 HydrophobicContact CE3-CG2 3.81Å; W11-I186 HydrophobicContact CG-CG2 3.65Å; W11-I186 HydrophobicContact CH2-CB 4.23Å; W11-I186 HydrophobicContact CH2-CG2 4.39Å; W11-I186 HydrophobicContact CZ2-CB 4.19Å; W11-I186 HydrophobicContact CZ2-CG2 4.03Å; W11-I186 HydrophobicContact CZ3-CB 4.26Å; W11-I186 HydrophobicContact CZ3-CD1 3.86Å; W11-I186 HydrophobicContact CZ3-CG2 4.29Å; L31-I186 HydrophobicContact CB-CD1 3.84Å; L31-I186 HydrophobicContact CD1-CD1 4.47Å; L31-I186 HydrophobicContact CD2-CD1 4.09Å; L31-I186 HydrophobicContact CG-CD1 4.34Å; L153-I186 HydrophobicContact CD1-CG1 4.24Å; L153-I186 HydrophobicContact CD2-CG1 3.65Å; Y182-I186 WeakPolarHBondContact O-CB 3.38Å; Y182-I186 WeakPolarHBondContact O-CD1 3.33Å; Y182-I186 WeakPolarHBondContact O-CG1 2.95Å; Y182-I186 PolarHBondContact O-N 3.31Å; I186-M189 PolarHBondContact O-N 3.47Å; I186-L190 HydrophobicContact CG2-CD1 3.57Å; I186-L190 HydrophobicContact CG2-CG 4.1Å; I186-L190 WeakPolarHBondContact O-CB 3.19Å; I186-L190 WeakPolarHBondContact O-CG 3.33Å; I186-L190 PolarHBondContact O-N 2.72Å
187P92.6Very high93.6Very high62 Ų6260.1 Ų60.140%0.40331%0.306SS..Hα-helixtrans-57.1-50.6176.8-27.535.3000113.7W11 E183 M189 L190 D191W11-P187 HydrophobicContact CH2-CG 4.44Å; W11-P187 HydrophobicContact CZ2-CG 3.61Å; E183-P187 VanDerWaalsContact O-CD 3.25Å; E183-P187 WeakPolarHBondContact O-CD 3.3Å; P187-M189 VanDerWaalsContact C-N 3.32Å; P187-M189 PolarHBondContact O-N 2.7Å; P187-L190 PolarHBondContact O-N 2.99Å; P187-D191 WeakPolarHBondContact O-CB 3.48Å; P187-D191 PolarHBondContact O-N 3.31Å
188E92.7Very high93.5Very high121 Ų12158.9 Ų58.957%0.56530%0.295SS*.Hα-helixtrans-61.5-43.5-179.6-176.2-172.316400110.8L185 D191 S192L185-E188 PolarHBondContact O-N 3.03Å; E188-D191 PolarHBondContact O-N 3.44Å; E188-S192 PolarHBondContact O-N 3Å; E188-S192 PolarHBondContact O-OG 3.19Å
189M94Very high93.3Very high24 Ų2461.9 Ų61.912%0.11831%0.31CS..Hα-helixtrans-68.3-41.2178.6-67.9-64.3-69.800111.6L153 H154 L157 L185 I186 P187 S192 Y193L153-M189 HydrophobicContact CB-CB 4.43Å; L153-M189 HydrophobicContact CB-CE 3.86Å; L153-M189 HydrophobicContact CB-CG 4.09Å; L153-M189 HydrophobicContact CD1-CG 4.01Å; H154-M189 HydrophobicContact CB-CE 3.81Å; L157-M189 HydrophobicContact CD1-CB 3.73Å; L185-M189 HydrophobicContact CB-CG 4.45Å; L185-M189 WeakPolarHBondContact O-CB 3.34Å; L185-M189 WeakPolarHBondContact O-CG 3.37Å; L185-M189 PolarHBondContact O-N 2.96Å; I186-M189 PolarHBondContact O-N 3.47Å; P187-M189 VanDerWaalsContact C-N 3.32Å; P187-M189 PolarHBondContact O-N 2.7Å; M189-S192 PolarHBondContact O-N 3.47Å; M189-Y193 HydrophobicContact CE-CE2 4.24Å; M189-Y193 WeakPolarHBondContact O-CD2 3.48Å
190L91.8Very high93Very high6 Ų662.3 Ų62.33%0.03132%0.316CS..Hα-helixtrans-66.2-38.8176.6-77.5171.2000112.2W11 L25 L157 I186 P187 S192 Y193 K194W11-L190 HydrophobicContact CG-CD1 4.03Å; L25-L190 HydrophobicContact CB-CD2 3.67Å; L157-L190 HydrophobicContact CD1-CD2 4.48Å; L157-L190 HydrophobicContact CD2-CD2 3.64Å; I186-L190 HydrophobicContact CG2-CD1 3.57Å; I186-L190 HydrophobicContact CG2-CG 4.1Å; I186-L190 WeakPolarHBondContact O-CB 3.19Å; I186-L190 WeakPolarHBondContact O-CG 3.33Å; I186-L190 PolarHBondContact O-N 2.72Å; P187-L190 PolarHBondContact O-N 2.99Å; L190-S192 VanDerWaalsContact C-N 3.3Å; L190-S192 PolarHBondContact O-N 3.47Å; L190-Y193 PolarHBondContact O-N 3.36Å; L190-Y193 VanDerWaalsContact O-N 3.12Å; L190-K194 PolarHBondContact O-N 3.12Å
191D89.2Confident92.6Very high97 Ų9759.1 Ų59.152%0.51931%0.305SS..Hα-helixtrans-62.4-39.2178.7-161.561000111.9P187 E188 Y193 K194P187-D191 WeakPolarHBondContact O-CB 3.48Å; P187-D191 PolarHBondContact O-N 3.31Å; E188-D191 PolarHBondContact O-N 3.44Å; D191-Y193 PolarHBondContact O-N 3.42Å; D191-Y193 VanDerWaalsContact O-N 3.09Å; D191-K194 PolarHBondContact O-N 2.72Å; D191-K194 WeakPolarHBondContact OD1-CE 3.39Å; D191-K194 IonicContact OD1-NZ 2.72Å; D191-K194 PolarHBondContact OD1-NZ 2.95Å
192S89.7Confident92.1Very high86 Ų8661.4 Ų61.460%0.60132%0.317SS*.THydrogen-bonded Turntrans-66.3-9.5176.4-57.40000114.3E188 M189 L190E188-S192 PolarHBondContact O-N 3Å; E188-S192 PolarHBondContact O-OG 3.19Å; M189-S192 PolarHBondContact O-N 3.47Å; L190-S192 VanDerWaalsContact C-N 3.3Å; L190-S192 PolarHBondContact O-N 3.47Å
193Y86Confident91.6Very high26 Ų2666.3 Ų66.310%0.10234%0.343CS..THydrogen-bonded Turntrans-115.7-4.7-174.6-80.5-109.5000114.4L25 H154 L157 S158 K161 M189 L190 D191L25-Y193 HydrophobicContact CD1-CD1 4.35Å; L25-Y193 HydrophobicContact CD1-CG 4.45Å; H154-Y193 VanDerWaalsContact CA-OH 3.31Å; H154-Y193 WeakPolarHBondContact CA-OH 3.48Å; H154-Y193 PolarHBondContact CE1-OH 2.97Å; H154-Y193 VanDerWaalsContact CE1-OH 3.31Å; H154-Y193 AromaticContact ND1-CZ 3.97Å; H154-Y193 PolarHBondContact ND1-OH 3.42Å; H154-Y193 PolarHBondContact O-OH 2.67Å; L157-Y193 HydrophobicContact CB-CD1 3.67Å; L157-Y193 HydrophobicContact CB-CD2 4.4Å; L157-Y193 HydrophobicContact CB-CE1 3.58Å; L157-Y193 HydrophobicContact CB-CE2 4.25Å; L157-Y193 HydrophobicContact CB-CG 4.09Å; L157-Y193 HydrophobicContact CD1-CD2 4.2Å; L157-Y193 HydrophobicContact CD1-CE2 4.22Å; L157-Y193 HydrophobicContact CD1-CG 4.45Å; S158-Y193 VanDerWaalsContact N-CE1 3.33Å; S158-Y193 WeakPolarHBondContact OG-CE1 3.43Å; S158-Y193 PolarHBondContact OG-OH 2.78Å; K161-Y193 HydrophobicContact CD-CD1 3.71Å; K161-Y193 HydrophobicContact CG-CD1 4.47Å; K161-Y193 PolarHBondContact NZ-O 3.09Å; M189-Y193 HydrophobicContact CE-CE2 4.24Å; M189-Y193 WeakPolarHBondContact O-CD2 3.48Å; L190-Y193 PolarHBondContact O-N 3.36Å; L190-Y193 VanDerWaalsContact O-N 3.12Å; D191-Y193 PolarHBondContact O-N 3.42Å; D191-Y193 VanDerWaalsContact O-N 3.09Å
194K75.2Confident91.1Very high163 Ų16364.9 Ų64.971%0.70934%0.34SS*.  trans-580169.9-69.8175.6-176.8165.40110.5L190 D191L190-K194 PolarHBondContact O-N 3.12Å; D191-K194 PolarHBondContact O-N 2.72Å; D191-K194 WeakPolarHBondContact OD1-CE 3.39Å; D191-K194 IonicContact OD1-NZ 2.72Å; D191-K194 PolarHBondContact OD1-NZ 2.95Å

Retrieved 194 of 194 residues in 201.9 ms (Link to these results)

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